smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSc3nnnn3Cc3ccco3)n12 ZINC000032931646 526217312 /nfs/dbraw/zinc/21/73/12/526217312.db2.gz CGBQCSMJLJKIRY-UHFFFAOYSA-N 0 0 408.447 1.810 20 0 HDADRN COc1cc(Br)c(F)cc1S(=O)(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000252536523 569292855 /nfs/dbraw/zinc/29/28/55/569292855.db2.gz IUOJIYAONAWQLD-JLTPVHFHSA-N 0 0 414.318 1.986 20 0 HDADRN CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCC(=O)N3)c(Cl)n1 ZINC001164423261 718934814 /nfs/dbraw/zinc/93/48/14/718934814.db2.gz FVKPOTJBEZGBAK-UHFFFAOYSA-N 0 0 403.813 1.942 20 0 HDADRN CCOC(=O)c1ccc(C)c(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)n1 ZINC001164637449 719266982 /nfs/dbraw/zinc/26/69/82/719266982.db2.gz LCRSCKHVCFIOJV-UHFFFAOYSA-N 0 0 404.511 1.326 20 0 HDADRN CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)N(CCOC)CCN3C)c(C)c1 ZINC001164634705 719271329 /nfs/dbraw/zinc/27/13/29/719271329.db2.gz MAWRAFCRIMCIAG-UHFFFAOYSA-N 0 0 404.511 1.326 20 0 HDADRN COCCN1CCN(C)C2(CCN(c3ncc4ncn(C(C)C)c4n3)CC2)C1=O ZINC001164644501 719280505 /nfs/dbraw/zinc/28/05/05/719280505.db2.gz MFJODRRKIWTMPS-UHFFFAOYSA-N 0 0 401.515 1.167 20 0 HDADRN COCCN1CCN(C)C2(CCN([C@H](F)Oc3cncc(Cl)n3)CC2)C1=O ZINC001164644858 719283694 /nfs/dbraw/zinc/28/36/94/719283694.db2.gz UUYBWUBJVIIJPK-INIZCTEOSA-N 0 0 401.870 1.017 20 0 HDADRN COCCN1CCN(C)C2(CCN(c3cncc(OCC4CCCC4)n3)CC2)C1=O ZINC001164644869 719283952 /nfs/dbraw/zinc/28/39/52/719283952.db2.gz VKEXMVDVVKEGTD-UHFFFAOYSA-N 0 0 417.554 1.805 20 0 HDADRN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(S(=O)(=O)NC3CC3)cn1)CC2 ZINC001164650499 719315717 /nfs/dbraw/zinc/31/57/17/719315717.db2.gz FQRAELISOHSJEL-UHFFFAOYSA-N 0 0 418.567 1.924 20 0 HDADRN O=C(CC1CC1)N[C@@H]1CN(c2ccc(CN3CCOCC3)cn2)C[C@@H]2CCCO[C@@H]12 ZINC001164654291 719324107 /nfs/dbraw/zinc/32/41/07/719324107.db2.gz JWWVSFVNMDVBQT-MIZPHKNDSA-N 0 0 414.550 1.814 20 0 HDADRN CN1CCO[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3C(=O)OCC3CC3)C[C@@H]21 ZINC001164666898 719388010 /nfs/dbraw/zinc/38/80/10/719388010.db2.gz MBYCPUBUPYNUGN-QWHCGFSZSA-N 0 0 402.829 1.761 20 0 HDADRN CCOc1ccc([N-]S(=O)(=O)c2cccnc2N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC001164672361 719422154 /nfs/dbraw/zinc/42/21/54/719422154.db2.gz QXKUGCXELGCZBN-QZTJIDSGSA-N 0 0 418.519 1.800 20 0 HDADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc(CN3CCOCC3)cn2)C1)N1CCCC1 ZINC001164678290 719535460 /nfs/dbraw/zinc/53/54/60/719535460.db2.gz KHUALAHMUUZIBL-AABGKKOBSA-N 0 0 400.523 1.520 20 0 HDADRN CN1CCc2nc(Cl)nc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)c2C1 ZINC001164679243 719545420 /nfs/dbraw/zinc/54/54/20/719545420.db2.gz WGEGPSCMBLXDRW-COXVUDFISA-N 0 0 405.930 1.724 20 0 HDADRN COCc1cc(N2CCn3c(CN4CCOCC4)nnc3C2)nc(-c2ccccc2)n1 ZINC001164677375 719570454 /nfs/dbraw/zinc/57/04/54/719570454.db2.gz ZSQJBOGPYXEQGO-UHFFFAOYSA-N 0 0 421.505 1.734 20 0 HDADRN CCOC(=O)c1cc(Cl)nc(N2CCn3c(CN4CCOCC4)nnc3C2)c1C ZINC001164677799 719578090 /nfs/dbraw/zinc/57/80/90/719578090.db2.gz FGSVCYPMWQLBMT-UHFFFAOYSA-N 0 0 420.901 1.664 20 0 HDADRN Fc1cccc(Oc2ccnc(N3CCn4c(CN5CCOCC5)nnc4C3)n2)c1 ZINC001164680433 719583138 /nfs/dbraw/zinc/58/31/38/719583138.db2.gz NDUIRVUGZUXQJA-UHFFFAOYSA-N 0 0 411.441 1.852 20 0 HDADRN Fc1cc2ncc(Cl)nc2cc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679810 719586506 /nfs/dbraw/zinc/58/65/06/719586506.db2.gz GAPUCZAXJLYFJQ-UHFFFAOYSA-N 0 0 403.849 1.866 20 0 HDADRN Cn1ncc2c1CN(c1ccnc(N3CCN(C)CC3)n1)C[C@@H]2COc1cccnc1 ZINC001164686193 719599759 /nfs/dbraw/zinc/59/97/59/719599759.db2.gz OHCOVAAFHWUAKG-QGZVFWFLSA-N 0 0 420.521 1.540 20 0 HDADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2cc(Cl)ncn2)C1 ZINC001164695933 719827616 /nfs/dbraw/zinc/82/76/16/719827616.db2.gz GTBCXPDVNRKKFN-LLVKDONJSA-N 0 0 400.817 1.270 20 0 HDADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncccc1C(=O)N1CCCC1 ZINC001164702137 719838372 /nfs/dbraw/zinc/83/83/72/719838372.db2.gz OEGCBMLGXYXUHF-JTSKRJEESA-N 0 0 416.522 1.550 20 0 HDADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2[nH]cc(F)c21 ZINC001164705269 719838860 /nfs/dbraw/zinc/83/88/60/719838860.db2.gz UPKDDEHTJCRBRS-ZMZPIMSZSA-N 0 0 411.865 1.983 20 0 HDADRN COC(=O)c1cc(Cl)nc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)c1 ZINC001164701424 719841812 /nfs/dbraw/zinc/84/18/12/719841812.db2.gz MEIOXPCWMOYJSS-KUHUBIRLSA-N 0 0 411.886 1.754 20 0 HDADRN COC(=O)c1cc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)ncc1Cl ZINC001164701617 719841897 /nfs/dbraw/zinc/84/18/97/719841897.db2.gz MNIRYAVPMXASIJ-YJYMSZOUSA-N 0 0 411.886 1.754 20 0 HDADRN COC(=O)c1ccc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1OC ZINC001164704603 719843233 /nfs/dbraw/zinc/84/32/33/719843233.db2.gz SBYFVQMBJANOQY-VBKZILBWSA-N 0 0 407.467 1.110 20 0 HDADRN COC(=O)c1cc(F)c(C)nc1N1CC[C@@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703138 719854392 /nfs/dbraw/zinc/85/43/92/719854392.db2.gz PCJRSCXXXIFIPW-JLTOFOAXSA-N 0 0 409.458 1.548 20 0 HDADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1[C@H](C)CC(=O)N2 ZINC001164700065 719855969 /nfs/dbraw/zinc/85/59/69/719855969.db2.gz GAWOKHHQBJSVFQ-CKNLXJGOSA-N 0 0 403.483 1.155 20 0 HDADRN CCOC(=O)c1c(C)ccnc1N1CC[C@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164698413 719862812 /nfs/dbraw/zinc/86/28/12/719862812.db2.gz CAOOBDHLXNLCJN-KKSFZXQISA-N 0 0 405.495 1.799 20 0 HDADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(Cl)nc2c1nc(C)n2C ZINC001164705024 719866489 /nfs/dbraw/zinc/86/64/89/719866489.db2.gz NBIIIZJXLCQWMV-YJYMSZOUSA-N 0 0 422.917 1.558 20 0 HDADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncc2ncn(C(C)C)c2n1 ZINC001164702833 719868872 /nfs/dbraw/zinc/86/88/72/719868872.db2.gz IZKWCANBMHETSV-YWZLYKJASA-N 0 0 402.499 1.640 20 0 HDADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ncccc1-c1nc(C)no1 ZINC001164702879 719869349 /nfs/dbraw/zinc/86/93/49/719869349.db2.gz JFZAORBSBYFTCY-QRWLVFNGSA-N 0 0 401.467 1.673 20 0 HDADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1ncn2C1CC1 ZINC001164701226 719869675 /nfs/dbraw/zinc/86/96/75/719869675.db2.gz GBUFDIMWYCJTIW-YWZLYKJASA-N 0 0 400.483 1.394 20 0 HDADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2nc(C)no2)cn1 ZINC001164701238 719870151 /nfs/dbraw/zinc/87/01/51/719870151.db2.gz GHCLUVWKJMNSBB-UZLBHIALSA-N 0 0 401.467 1.673 20 0 HDADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc(-c2cccc(F)c2)n1 ZINC001164701254 719871271 /nfs/dbraw/zinc/87/12/71/719871271.db2.gz GNBIKGJSQKAZGH-UWJYYQICSA-N 0 0 415.469 1.910 20 0 HDADRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3ccc(Cl)nn3)C[C@@H]21 ZINC001164696688 719882217 /nfs/dbraw/zinc/88/22/17/719882217.db2.gz AQURKVYYLNBLMK-GRYCIOLGSA-N 0 0 410.812 1.802 20 0 HDADRN Nc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2COC[C@@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164698243 719883545 /nfs/dbraw/zinc/88/35/45/719883545.db2.gz DTIOKDXDUSOVEL-IJLUTSLNSA-N 0 0 424.839 1.990 20 0 HDADRN O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN([C@H](F)Oc3cncc(Cl)n3)C[C@@H]21 ZINC001164697089 719884934 /nfs/dbraw/zinc/88/49/34/719884934.db2.gz BOXOFTHRPIEPLW-PXDYOCJYSA-N 0 0 408.821 1.385 20 0 HDADRN CNS(=O)(=O)c1cccnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697043 719894982 /nfs/dbraw/zinc/89/49/82/719894982.db2.gz IZAKFIVWHYCTEB-UHFFFAOYSA-N 0 0 422.576 1.923 20 0 HDADRN O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)ncn3)C[C@H]21)N1CCCCO1 ZINC001164707322 719908540 /nfs/dbraw/zinc/90/85/40/719908540.db2.gz PJBZKAYKEVAYJR-JHJVBQTASA-N 0 0 402.829 1.928 20 0 HDADRN CSc1ncc(Cl)nc1N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164708782 719919347 /nfs/dbraw/zinc/91/93/47/719919347.db2.gz QDPYFTXWYKKLSE-UHFFFAOYSA-N 0 0 421.958 1.536 20 0 HDADRN CSc1cnc(Cl)c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1 ZINC001164708106 719919487 /nfs/dbraw/zinc/91/94/87/719919487.db2.gz CIFWLXXGZZOUPH-UHFFFAOYSA-N 0 0 421.958 1.536 20 0 HDADRN O=C([C@@H]1COC[C@@H]2CN(C(F)(F)Oc3cnc(Cl)cn3)C[C@H]21)N1CCCCO1 ZINC001164702838 719925201 /nfs/dbraw/zinc/92/52/01/719925201.db2.gz HJIREPAIBKCAIH-YNEHKIRRSA-N 0 0 418.828 1.808 20 0 HDADRN Cc1ccc(-c2ccc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)nn2)o1 ZINC001164708135 719931236 /nfs/dbraw/zinc/93/12/36/719931236.db2.gz DTXXOMQTUARFNT-UHFFFAOYSA-N 0 0 421.505 1.729 20 0 HDADRN CSCc1ccnc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c1 ZINC001164709075 719933639 /nfs/dbraw/zinc/93/36/39/719933639.db2.gz XHPYPNZQFYZSAL-UHFFFAOYSA-N 0 0 400.552 1.628 20 0 HDADRN C[C@@H]1CCc2nnc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)cc2C1 ZINC001164708583 719933719 /nfs/dbraw/zinc/93/37/19/719933719.db2.gz LUNBFURWYRSPAS-OAHLLOKOSA-N 0 0 409.538 1.285 20 0 HDADRN CCOC(=O)c1ccc(N2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)nc1C ZINC001164717226 720210897 /nfs/dbraw/zinc/21/08/97/720210897.db2.gz GVYFCTDOVSMRRP-NRFANRHFSA-N 0 0 404.511 1.232 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(N4CCCCC4)nn3)C2)C1 ZINC001164720038 720211138 /nfs/dbraw/zinc/21/11/38/720211138.db2.gz VICJGXIVRLVMFA-NRFANRHFSA-N 0 0 402.543 1.132 20 0 HDADRN CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cccc(Cl)n3)C2)C1 ZINC001164719307 720212535 /nfs/dbraw/zinc/21/25/35/720212535.db2.gz QWMHCXRBEZKJFI-QGZVFWFLSA-N 0 0 402.873 1.945 20 0 HDADRN CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164719769 720213879 /nfs/dbraw/zinc/21/38/79/720213879.db2.gz UANCRGMKDFQVJP-QGZVFWFLSA-N 0 0 402.873 1.945 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4sc(C)c(C)c43)C2)C1 ZINC001164716025 720221286 /nfs/dbraw/zinc/22/12/86/720221286.db2.gz ABLRJVODTHHURH-FQEVSTJZSA-N 0 0 403.552 1.973 20 0 HDADRN CNC(=O)CN1CCOC[C@]2(CCCN(c3ncnc4nc(Cl)ccc43)C2)C1 ZINC001164716891 720222958 /nfs/dbraw/zinc/22/29/58/720222958.db2.gz GGNDUMWVPHEGIE-LJQANCHMSA-N 0 0 404.902 1.343 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(Cl)cc(C(=O)OC)n3)C2)C1 ZINC001164717242 720224908 /nfs/dbraw/zinc/22/49/08/720224908.db2.gz HFMYPKUPXQOVEV-IBGZPJMESA-N 0 0 410.902 1.186 20 0 HDADRN CNC(=O)CN1CCOC[C@]2(CCCN(c3nc4ncccc4nc3Cl)C2)C1 ZINC001164720308 720245728 /nfs/dbraw/zinc/24/57/28/720245728.db2.gz ULQINVFTGIIQTM-LJQANCHMSA-N 0 0 404.902 1.343 20 0 HDADRN CCOc1ccc2ncnc(N3CCC[C@]4(C3)COCCN(CC(=O)NC)C4)c2c1 ZINC001164720473 720255763 /nfs/dbraw/zinc/25/57/63/720255763.db2.gz WXFLQDVTMHAQCG-QFIPXVFZSA-N 0 0 413.522 1.693 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164718988 720255842 /nfs/dbraw/zinc/25/58/42/720255842.db2.gz JYXYJMSTMYSWHF-FQEVSTJZSA-N 0 0 403.914 1.948 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3cncc(N4CCCCC4)n3)C2)C1 ZINC001164720655 720269255 /nfs/dbraw/zinc/26/92/55/720269255.db2.gz BURLAXHBVRZGHD-NRFANRHFSA-N 0 0 402.543 1.132 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncnc4nc(SC)sc43)C2)C1 ZINC001164721932 720270579 /nfs/dbraw/zinc/27/05/79/720270579.db2.gz NCDHCNCQVDDHCJ-SFHVURJKSA-N 0 0 422.580 1.473 20 0 HDADRN CCCN(CCC)c1cncc(N2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)n1 ZINC001164720958 720270649 /nfs/dbraw/zinc/27/06/49/720270649.db2.gz GBNQTYXDXYTQCQ-JOCHJYFZSA-N 0 0 418.586 1.768 20 0 HDADRN CNC(=O)CN1CCOC[C@@]2(CCCN(c3ncc4c(n3)-c3ccccc3CC4)C2)C1 ZINC001164721218 720276383 /nfs/dbraw/zinc/27/63/83/720276383.db2.gz HTWFDZJLDZGUCA-DEOSSOPVSA-N 0 0 421.545 1.907 20 0 HDADRN 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COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc2cc(C)n(C)n2)c1 ZINC000676033073 1075330814 /nfs/dbraw/zinc/33/08/14/1075330814.db2.gz AREJLOIOFUGAKZ-UONOGXRCSA-N 0 0 409.508 1.926 20 0 HDADRN COc1ccc(S(=O)(=O)N(C)CCOC(C)(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000676033961 1075330848 /nfs/dbraw/zinc/33/08/48/1075330848.db2.gz GJFJXLJZSUHVOT-SFHVURJKSA-N 0 0 413.496 1.185 20 0 HDADRN O=C(NC[C@@]1(O)CCCc2ccccc21)C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000731406066 1075331487 /nfs/dbraw/zinc/33/14/87/1075331487.db2.gz AQMVIQYGPDOZOR-QHCPKHFHSA-N 0 0 409.486 1.802 20 0 HDADRN CS(=O)(=O)c1cccc(Cl)c1CNCCNS(=O)(=O)c1ccccc1 ZINC000543654211 1075331986 /nfs/dbraw/zinc/33/19/86/1075331986.db2.gz SGPPJCQERCBOEH-UHFFFAOYSA-N 0 0 402.925 1.812 20 0 HDADRN NC(=O)[C@@H](CNC(=O)N[C@H]1CCN(C2CCCCC2)C1=O)Cc1ccc(F)cc1 ZINC000676036601 1075332062 /nfs/dbraw/zinc/33/20/62/1075332062.db2.gz KJVYNXQMCRKUBD-QAPCUYQASA-N 0 0 404.486 1.703 20 0 HDADRN Cc1cc(CS(=O)(=O)CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)nn1C ZINC000676035133 1075332156 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ZINC000543528791 1074018074 /nfs/dbraw/zinc/01/80/74/1074018074.db2.gz DAFJRUIXGGGHGU-OAHLLOKOSA-N 0 0 413.503 1.145 20 0 HDADRN Cn1c(=O)[nH]cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4CCCC[C@H]24)C3)c1=O ZINC001005059147 1074018514 /nfs/dbraw/zinc/01/85/14/1074018514.db2.gz CMIZFKDFPGBILF-MZCHXOHHSA-N 0 0 400.479 1.174 20 0 HDADRN COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000673996022 1074018532 /nfs/dbraw/zinc/01/85/32/1074018532.db2.gz PQFOHIREIPOXII-UHFFFAOYSA-N 0 0 420.553 1.035 20 0 HDADRN CC(C)(CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O)S(C)(=O)=O ZINC000673995946 1074018553 /nfs/dbraw/zinc/01/85/53/1074018553.db2.gz ILYVRDJMGPGYFG-UHFFFAOYSA-N 0 0 415.471 1.431 20 0 HDADRN CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)c(Cl)c1 ZINC000543529494 1074018861 /nfs/dbraw/zinc/01/88/61/1074018861.db2.gz XTQXHAUEXLPJAH-UHFFFAOYSA-N 0 0 414.849 1.839 20 0 HDADRN CC(=O)N[C@H](CC(=O)NCC(C)(C)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000673996636 1074018913 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CC(=O)N1c2ccc(S(=O)(=O)NCCc3cn4c(n3)SCC4)cc2C[C@H]1C ZINC000466584848 1074028840 /nfs/dbraw/zinc/02/88/40/1074028840.db2.gz DKRDFICYXAYTJW-GFCCVEGCSA-N 0 0 406.533 1.807 20 0 HDADRN CNC(=O)N[C@H]1CCN(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)C1 ZINC000466584873 1074028925 /nfs/dbraw/zinc/02/89/25/1074028925.db2.gz DRASSLWMHDXTFX-INIZCTEOSA-N 0 0 422.961 1.565 20 0 HDADRN CCCN(C(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000031302118 1074030030 /nfs/dbraw/zinc/03/00/30/1074030030.db2.gz FGLMRMDQLIPXQU-QZTJIDSGSA-N 0 0 423.579 1.988 20 0 HDADRN COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C1)CC2 ZINC000466584392 1074030418 /nfs/dbraw/zinc/03/04/18/1074030418.db2.gz KJCMMAVYXNTGAG-BRSBDYLESA-N 0 0 424.505 1.196 20 0 HDADRN COc1cc(NS(C)(=O)=O)ccc1NC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000484529940 1074031244 /nfs/dbraw/zinc/03/12/44/1074031244.db2.gz LQXQKMORHWJYKP-AWEZNQCLSA-N 0 0 418.475 1.994 20 0 HDADRN CCOC(=O)Cc1csc(NC(=O)NCC2CCN(S(=O)(=O)CC)CC2)n1 ZINC000543533519 1074032676 /nfs/dbraw/zinc/03/26/76/1074032676.db2.gz FSNTXTIMCANNMA-UHFFFAOYSA-N 0 0 418.541 1.432 20 0 HDADRN CCNC(=O)CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000058529219 1074032736 /nfs/dbraw/zinc/03/27/36/1074032736.db2.gz ZKNDPSMNRCDAKD-UHFFFAOYSA-N 0 0 411.430 1.974 20 0 HDADRN CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ncn(C2CCCCC2)n1)N1CCOCC1 ZINC000543534476 1074033123 /nfs/dbraw/zinc/03/31/23/1074033123.db2.gz NIBWMHRBQVPFJQ-GOSISDBHSA-N 0 0 420.558 1.975 20 0 HDADRN CC[C@@H](NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1OCC(=O)NC ZINC000058535536 1074034350 /nfs/dbraw/zinc/03/43/50/1074034350.db2.gz UBGPLIWNAYPYFI-CQSZACIVSA-N 0 0 402.476 1.355 20 0 HDADRN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCCc2cn3c(n2)SCC3)cc1 ZINC000466586061 1074034773 /nfs/dbraw/zinc/03/47/73/1074034773.db2.gz BZMSAYQHBBNJEL-LBPRGKRZSA-N 0 0 409.537 1.500 20 0 HDADRN COc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)c1 ZINC000031358728 1074035543 /nfs/dbraw/zinc/03/55/43/1074035543.db2.gz 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Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000543535568 1074040156 /nfs/dbraw/zinc/04/01/56/1074040156.db2.gz YBPMEBQQTZAUDW-GOSISDBHSA-N 0 0 418.457 1.977 20 0 HDADRN Cc1cccc2nc(C3CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC3)oc21 ZINC000429192493 1074041075 /nfs/dbraw/zinc/04/10/75/1074041075.db2.gz HQAHBTWUDUYDHF-UHFFFAOYSA-N 0 0 423.539 1.858 20 0 HDADRN Cc1c(NC(=O)c2ccc(CNS(C)(=O)=O)o2)cccc1S(=O)(=O)N(C)C ZINC001299292167 1074041507 /nfs/dbraw/zinc/04/15/07/1074041507.db2.gz IVXCBWFRIJNDOZ-UHFFFAOYSA-N 0 0 415.493 1.140 20 0 HDADRN CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC(C3CC3)C3CC3)CC2)cc1 ZINC000031419244 1074042456 /nfs/dbraw/zinc/04/24/56/1074042456.db2.gz ZVEBOBMZPJUDCX-UHFFFAOYSA-N 0 0 419.547 1.500 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000509194198 1074043406 /nfs/dbraw/zinc/04/34/06/1074043406.db2.gz FLMBVJRLRDLMEU-HUUCEWRRSA-N 0 0 403.570 1.430 20 0 HDADRN Cc1ccc(CC(=O)N2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)cc1 ZINC000429194192 1074043499 /nfs/dbraw/zinc/04/34/99/1074043499.db2.gz YANHUIYHRLCUPO-UHFFFAOYSA-N 0 0 422.533 1.850 20 0 HDADRN COC(=O)[C@H](O)C1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000429194206 1074044036 /nfs/dbraw/zinc/04/40/36/1074044036.db2.gz YDLJKKUXSMGAKR-NNMXDRDESA-N 0 0 422.497 1.855 20 0 HDADRN CC(C)NS(=O)(=O)NCCNC(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000429194079 1074044211 /nfs/dbraw/zinc/04/42/11/1074044211.db2.gz OCRYMCZXTHXRTK-UHFFFAOYSA-N 0 0 406.936 1.583 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000466589833 1074044255 /nfs/dbraw/zinc/04/42/55/1074044255.db2.gz XHUHKEWZZOLUFJ-DLBZAZTESA-N 0 0 402.538 1.420 20 0 HDADRN CC(C)(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1ccccc1Br ZINC000766049634 1074044359 /nfs/dbraw/zinc/04/43/59/1074044359.db2.gz WXCRMWTYJARXJZ-LBPRGKRZSA-N 0 0 403.302 1.839 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F)c1 ZINC000509195773 1074045414 /nfs/dbraw/zinc/04/54/14/1074045414.db2.gz KPUBFNFEYJOHSV-CYBMUJFWSA-N 0 0 418.459 1.261 20 0 HDADRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000466590070 1074045877 /nfs/dbraw/zinc/04/58/77/1074045877.db2.gz NRWMFVHLOZLPNW-HIFRSBDPSA-N 0 0 423.420 1.202 20 0 HDADRN O=C(N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1)N1CCC(N2CCNC2=O)CC1 ZINC000466590528 1074046511 /nfs/dbraw/zinc/04/65/11/1074046511.db2.gz VNRWQKFBMGZDEV-NEWSRXKRSA-N 0 0 411.506 1.343 20 0 HDADRN COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCN(c3cccc(F)c3)C1)CC2 ZINC000466590643 1074046607 /nfs/dbraw/zinc/04/66/07/1074046607.db2.gz POLQWUCMXQAZOK-JKSUJKDBSA-N 0 0 402.474 1.847 20 0 HDADRN O=C(Nc1ccnn1Cc1ccc(Br)cc1)NC1CC(CO)(CO)C1 ZINC001671057004 1074048191 /nfs/dbraw/zinc/04/81/91/1074048191.db2.gz ASFNKJKSYJQHKB-UHFFFAOYSA-N 0 0 409.284 1.949 20 0 HDADRN O=C(NCCn1c(=O)[nH]c2ccccc21)C(=O)Nc1cccnc1N1CCCCC1 ZINC000509198057 1074048661 /nfs/dbraw/zinc/04/86/61/1074048661.db2.gz BQEBNOALHVPSFD-UHFFFAOYSA-N 0 0 408.462 1.882 20 0 HDADRN 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ZINC000676644669 1075632271 /nfs/dbraw/zinc/63/22/71/1075632271.db2.gz YOEZWXVQKCTZFH-QGZVFWFLSA-N 0 0 410.517 1.169 20 0 HDADRN CS(=O)(=O)C[C@@H](NC(=O)Cn1nc(-c2ccccc2)oc1=O)c1ccccc1 ZINC000676644685 1075632382 /nfs/dbraw/zinc/63/23/82/1075632382.db2.gz ZAPQHQADTZGPMD-MRXNPFEDSA-N 0 0 401.444 1.405 20 0 HDADRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccccc1F ZINC000732134849 1075632648 /nfs/dbraw/zinc/63/26/48/1075632648.db2.gz HRBOECUGNACHNV-OLZOCXBDSA-N 0 0 417.503 1.864 20 0 HDADRN COCCCn1cnnc1SCc1nc(N)nc(Nc2ccccc2OC)n1 ZINC000479575771 1075633081 /nfs/dbraw/zinc/63/30/81/1075633081.db2.gz BSGDKLLGPWZTSJ-UHFFFAOYSA-N 0 0 402.484 1.548 20 0 HDADRN CN(C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)C1)S(C)(=O)=O ZINC000804185989 1075633369 /nfs/dbraw/zinc/63/33/69/1075633369.db2.gz ZQDYOZUBHSZTFQ-IEBWSBKVSA-N 0 0 421.563 1.811 20 0 HDADRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)C1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000732105380 1075633768 /nfs/dbraw/zinc/63/37/68/1075633768.db2.gz 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1.434 20 0 HDADRN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccc(O)cc2)c1 ZINC000733830125 1076220957 /nfs/dbraw/zinc/22/09/57/1076220957.db2.gz LXORKDLDBKTNEE-UHFFFAOYSA-N 0 0 408.432 1.203 20 0 HDADRN C[C@H]1CN(c2ccc(NC(=O)COCC(=O)NCc3cccnc3)cc2)C[C@H](C)O1 ZINC000727767697 1076221053 /nfs/dbraw/zinc/22/10/53/1076221053.db2.gz JUVZGTUTNFJDEP-IRXDYDNUSA-N 0 0 412.490 1.967 20 0 HDADRN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000727748751 1076223992 /nfs/dbraw/zinc/22/39/92/1076223992.db2.gz DGNJAPYKTKTFCV-CZUORRHYSA-N 0 0 414.549 1.996 20 0 HDADRN NC(=O)c1ccn(-c2ccccc2NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n1 ZINC000733872219 1076225433 /nfs/dbraw/zinc/22/54/33/1076225433.db2.gz GVBBZRRAPXUMHS-SFHVURJKSA-N 0 0 417.429 1.030 20 0 HDADRN CN(C)[C@@H](CNC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccccc1Cl ZINC000727752525 1076225487 /nfs/dbraw/zinc/22/54/87/1076225487.db2.gz QNBUAJPOZHFRHY-DOTOQJQBSA-N 0 0 408.911 1.789 20 0 HDADRN O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000727752445 1076225532 /nfs/dbraw/zinc/22/55/32/1076225532.db2.gz NYTIETACSLMQHK-SFHVURJKSA-N 0 0 420.922 1.714 20 0 HDADRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(F)nc1 ZINC000733874258 1076226057 /nfs/dbraw/zinc/22/60/57/1076226057.db2.gz YNCPBLHNYBLBCA-UHFFFAOYSA-N 0 0 408.455 1.418 20 0 HDADRN CCOC(=O)/C=C/c1ccc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000727753482 1076226070 /nfs/dbraw/zinc/22/60/70/1076226070.db2.gz IBHOMGJQTNZBGO-ZPHJMFTNSA-N 0 0 401.444 1.932 20 0 HDADRN O=C(C1=COCCC1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000727753159 1076226388 /nfs/dbraw/zinc/22/63/88/1076226388.db2.gz SNTWMVYYOBVDNP-UHFFFAOYSA-N 0 0 415.309 1.976 20 0 HDADRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000727752773 1076227036 /nfs/dbraw/zinc/22/70/36/1076227036.db2.gz JIZSIHVUUXSGTO-SFHVURJKSA-N 0 0 408.462 1.323 20 0 HDADRN O=C(/C=C/c1cnc2ccccc2n1)N1CCN(CC(=O)Nc2nncs2)CC1 ZINC000733877097 1076227085 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COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1c(F)cccc1-n1cccn1)CC2 ZINC000733853430 1076228631 /nfs/dbraw/zinc/22/86/31/1076228631.db2.gz KEZDWQGECOBKRN-CYBMUJFWSA-N 0 0 400.410 1.752 20 0 HDADRN COCCOc1cc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)ccc1OC ZINC000727755193 1076228901 /nfs/dbraw/zinc/22/89/01/1076228901.db2.gz QWRYMAHWELUPKO-QGZVFWFLSA-N 0 0 407.448 1.389 20 0 HDADRN COCCOc1cc(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)ccc1OC ZINC000727755192 1076228975 /nfs/dbraw/zinc/22/89/75/1076228975.db2.gz QWRYMAHWELUPKO-KRWDZBQOSA-N 0 0 407.448 1.389 20 0 HDADRN COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(N3CCOC3=O)cc1)CC2 ZINC000733853706 1076229512 /nfs/dbraw/zinc/22/95/12/1076229512.db2.gz MCCKFNKVLVBLSZ-OAHLLOKOSA-N 0 0 401.419 1.383 20 0 HDADRN COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000733854677 1076229544 /nfs/dbraw/zinc/22/95/44/1076229544.db2.gz YCGYQOJYKWHXTP-OAHLLOKOSA-N 0 0 419.453 1.403 20 0 HDADRN COc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727755931 1076230098 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LZHPOGYXICPIPJ-MEDUHNTESA-N 0 0 402.373 1.989 20 0 HDADRN Cn1c(=O)c2cc(NC(=O)Cc3ccc(Br)cc3)cnc2n(C)c1=O ZINC000057768302 1076232352 /nfs/dbraw/zinc/23/23/52/1076232352.db2.gz AGXBFFKUNADUAM-UHFFFAOYSA-N 0 0 403.236 1.576 20 0 HDADRN NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1 ZINC000727784337 1076234621 /nfs/dbraw/zinc/23/46/21/1076234621.db2.gz BHVBKPJYTKJZQA-ZDUSSCGKSA-N 0 0 423.413 1.156 20 0 HDADRN O=C(COc1ccccc1CNC(=S)NC1CCOCC1)NC[C@H]1CCCO1 ZINC000727783334 1076234638 /nfs/dbraw/zinc/23/46/38/1076234638.db2.gz QRHZVMQHAJBQCG-QGZVFWFLSA-N 0 0 407.536 1.504 20 0 HDADRN Cc1noc(Cn2cc(C(=O)N3C[C@@H](O)C[C@H]3c3ccc(F)c(F)c3)ccc2=O)n1 ZINC000530337884 1076234657 /nfs/dbraw/zinc/23/46/57/1076234657.db2.gz QQSUZSMSGYAPTC-YOEHRIQHSA-N 0 0 416.384 1.814 20 0 HDADRN O=C(OCc1cc(=O)n2ccsc2n1)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000727789734 1076235807 /nfs/dbraw/zinc/23/58/07/1076235807.db2.gz UMDZGXLVQWCUFS-SNVBAGLBSA-N 0 0 405.354 1.963 20 0 HDADRN O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)N1CCC2(CNC(=O)C2)CC1 ZINC000530986210 1076237014 /nfs/dbraw/zinc/23/70/14/1076237014.db2.gz OJCOQOXSAQKSNH-UHFFFAOYSA-N 0 0 414.487 1.772 20 0 HDADRN COCCNS(=O)(=O)c1cccc(CNCc2cnn(CC(F)(F)F)c2)c1 ZINC000531656365 1076237681 /nfs/dbraw/zinc/23/76/81/1076237681.db2.gz BDOWZNUXKTUZQK-UHFFFAOYSA-N 0 0 406.430 1.660 20 0 HDADRN CC[S@](=O)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000733880745 1076237747 /nfs/dbraw/zinc/23/77/47/1076237747.db2.gz YDYYIOYYONSJRP-QHCPKHFHSA-N 0 0 400.298 1.434 20 0 HDADRN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)c3cc(F)cc4nc[nH]c43)C2)no1 ZINC000532805803 1076239286 /nfs/dbraw/zinc/23/92/86/1076239286.db2.gz RYMNANXRMPROMV-CYBMUJFWSA-N 0 0 400.414 1.911 20 0 HDADRN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C)nc3C)C2)no1 ZINC000532835712 1076240057 /nfs/dbraw/zinc/24/00/57/1076240057.db2.gz DDRMWRSUMIIAEQ-OAHLLOKOSA-N 0 0 414.466 1.232 20 0 HDADRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000733884875 1076240344 /nfs/dbraw/zinc/24/03/44/1076240344.db2.gz KESYRZPFOOWCMA-GUYCJALGSA-N 0 0 408.586 1.962 20 0 HDADRN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)N[C@H]3CCOC4(CCC4)C3)C2)no1 ZINC000532840117 1076240325 /nfs/dbraw/zinc/24/03/25/1076240325.db2.gz LAPHDCYHCLYINZ-JKSUJKDBSA-N 0 0 405.499 1.866 20 0 HDADRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000532997085 1076240532 /nfs/dbraw/zinc/24/05/32/1076240532.db2.gz YNHFURLUXFMKNO-LBPRGKRZSA-N 0 0 407.496 1.362 20 0 HDADRN O=C(NCc1ncc(C(F)(F)F)cn1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001273273983 1076240550 /nfs/dbraw/zinc/24/05/50/1076240550.db2.gz AVFHCCPEYJZIPN-UHFFFAOYSA-N 0 0 420.369 1.039 20 0 HDADRN CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCCCCC[C@@H]21 ZINC001299305129 1076240580 /nfs/dbraw/zinc/24/05/80/1076240580.db2.gz DIDKUXDIOUEJLB-ZBFHGGJFSA-N 0 0 407.544 1.387 20 0 HDADRN C[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000533000498 1076241008 /nfs/dbraw/zinc/24/10/08/1076241008.db2.gz CPWLTFHKJJJJID-APWZRJJASA-N 0 0 413.522 1.982 20 0 HDADRN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)NC(C)C)C2)no1 ZINC000533126183 1076241229 /nfs/dbraw/zinc/24/12/29/1076241229.db2.gz PMRSEPQPDREQNH-CVEARBPZSA-N 0 0 420.514 1.164 20 0 HDADRN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)Nc3ccc(-n4cccn4)nc3)C2)no1 ZINC000533131144 1076241663 /nfs/dbraw/zinc/24/16/63/1076241663.db2.gz PPBMVRFHINMADT-INIZCTEOSA-N 0 0 424.465 1.868 20 0 HDADRN CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)Nc3nc4c(s3)COCC4)C2)no1 ZINC000533139915 1076241898 /nfs/dbraw/zinc/24/18/98/1076241898.db2.gz YFPUXHLWSBSMLY-LBPRGKRZSA-N 0 0 420.495 1.816 20 0 HDADRN CCn1nnc(C)c1COC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001273280464 1076242362 /nfs/dbraw/zinc/24/23/62/1076242362.db2.gz ADPTXSRGVFNVQF-KFWWJZLASA-N 0 0 408.524 1.947 20 0 HDADRN COC(=O)COCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001299310037 1076242375 /nfs/dbraw/zinc/24/23/75/1076242375.db2.gz YFJZEKFWYVPYPG-JKSUJKDBSA-N 0 0 410.442 1.834 20 0 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ZINC000584256142 1074772676 /nfs/dbraw/zinc/77/26/76/1074772676.db2.gz MAVGJYHPBOBIRO-INIZCTEOSA-N 0 0 412.396 2.517 20 0 HDADRN Cc1nc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cs1 ZINC000675261482 1074773016 /nfs/dbraw/zinc/77/30/16/1074773016.db2.gz JWNDGVHVLDHVMU-UHFFFAOYSA-N 0 0 416.463 1.266 20 0 HDADRN COC(=O)[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)[C@@H]1C(=O)OC ZINC000442116948 1074773139 /nfs/dbraw/zinc/77/31/39/1074773139.db2.gz BMTLBHHQZRPQHX-AEFFLSMTSA-N 0 0 412.446 2.095 20 0 HDADRN COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)NCCNc1ccc(-c2ccccc2)nn1 ZINC000530377322 1074773406 /nfs/dbraw/zinc/77/34/06/1074773406.db2.gz VNTKMDRLMHKIFJ-NVXWUHKLSA-N 0 0 404.492 1.817 20 0 HDADRN COCCO[C@H]1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1 ZINC000509317000 1074774258 /nfs/dbraw/zinc/77/42/58/1074774258.db2.gz NLCSGCQEUOZRFN-ZDUSSCGKSA-N 0 0 410.489 1.013 20 0 HDADRN O=C(NCCc1csc(N2CCCC2)n1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000446782972 1074774281 /nfs/dbraw/zinc/77/42/81/1074774281.db2.gz 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O=C(NCCc1nccs1)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000550749286 1074775192 /nfs/dbraw/zinc/77/51/92/1074775192.db2.gz KHMZJTDQJPWLJP-UHFFFAOYSA-N 0 0 420.292 2.389 20 0 HDADRN C[C@H](c1ccccc1)[C@H](CO)NC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000675264622 1074775317 /nfs/dbraw/zinc/77/53/17/1074775317.db2.gz JKGDETOEKHUJFU-ACJLOTCBSA-N 0 0 422.478 1.590 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)nn1-c1ccccc1 ZINC000538976104 1074775991 /nfs/dbraw/zinc/77/59/91/1074775991.db2.gz MVVSDPQLSGLAKI-OAHLLOKOSA-N 0 0 416.445 1.972 20 0 HDADRN O=C(NCCn1cc(Br)cn1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000508252446 1074776048 /nfs/dbraw/zinc/77/60/48/1074776048.db2.gz PUPWNAPQSDJHEV-UHFFFAOYSA-N 0 0 403.240 1.586 20 0 HDADRN COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)c2ccccc21 ZINC000588645211 1074776080 /nfs/dbraw/zinc/77/60/80/1074776080.db2.gz CMSZWAQNORARPC-QGZVFWFLSA-N 0 0 404.426 2.423 20 0 HDADRN COc1cc(C(=O)N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)ccc1C ZINC001487042271 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HDADRN Cc1cc(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)nn1C ZINC000427880228 1074778756 /nfs/dbraw/zinc/77/87/56/1074778756.db2.gz ZYGWLSASKNOHOZ-ZDUSSCGKSA-N 0 0 406.284 1.825 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000675254522 1074778851 /nfs/dbraw/zinc/77/88/51/1074778851.db2.gz JVQZCKPHFPEOHB-OALUTQOASA-N 0 0 403.527 1.105 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000675254384 1074779105 /nfs/dbraw/zinc/77/91/05/1074779105.db2.gz GYUCYQFFAWMDRD-KRWDZBQOSA-N 0 0 423.564 1.771 20 0 HDADRN C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)N1c2ccccc2C[C@H]1C ZINC001128972196 1074779242 /nfs/dbraw/zinc/77/92/42/1074779242.db2.gz HVFGJGOMXNZOPL-HUUCEWRRSA-N 0 0 405.458 1.664 20 0 HDADRN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000429325970 1074779226 /nfs/dbraw/zinc/77/92/26/1074779226.db2.gz GAEOSQTWQOXMGO-GFCCVEGCSA-N 0 0 407.458 1.987 20 0 HDADRN Cc1nn(C)c2nc(C)c(CCC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)c(C)c12 ZINC000675257814 1074779890 /nfs/dbraw/zinc/77/98/90/1074779890.db2.gz VMOQAQMJOJLWTN-UHFFFAOYSA-N 0 0 421.567 1.709 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000675257729 1074779915 /nfs/dbraw/zinc/77/99/15/1074779915.db2.gz SRNQFZNKRATHRX-INIZCTEOSA-N 0 0 408.462 1.931 20 0 HDADRN CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000675257563 1074779963 /nfs/dbraw/zinc/77/99/63/1074779963.db2.gz YVSBLPNZVOZQTK-LIRRHRJNSA-N 0 0 418.519 1.962 20 0 HDADRN CC(C)[C@H](NC(=O)Nc1ccccc1C(=O)N1CCOCC1)C(=O)N1CCCC1 ZINC000675259064 1074780006 /nfs/dbraw/zinc/78/00/06/1074780006.db2.gz RIEUSMWGJVOCHI-SFHVURJKSA-N 0 0 402.495 1.928 20 0 HDADRN CCC(CC)(NC(=O)C1CN(C(=O)Nc2cc(C)n(-c3ccccc3)n2)C1)C(N)=O ZINC000480683299 1074780405 /nfs/dbraw/zinc/78/04/05/1074780405.db2.gz LULCJIQAYPOLQQ-UHFFFAOYSA-N 0 0 412.494 1.805 20 0 HDADRN CCC(CC)C(=O)N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC000675286317 1074780686 /nfs/dbraw/zinc/78/06/86/1074780686.db2.gz SYFIGSAIWPPZBJ-UHFFFAOYSA-N 0 0 410.540 1.161 20 0 HDADRN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)C(=O)N1CCOCC2(CCCC2)C1 ZINC000675287254 1074780846 /nfs/dbraw/zinc/78/08/46/1074780846.db2.gz AETBECPLFCYVSC-SFHVURJKSA-N 0 0 417.481 1.462 20 0 HDADRN C[C@H](CN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1nccs1 ZINC000675287354 1074781123 /nfs/dbraw/zinc/78/11/23/1074781123.db2.gz NUWCGDBLSALVSV-CZUORRHYSA-N 0 0 418.494 1.761 20 0 HDADRN Cc1cc(C)nc(N(C)S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)n1 ZINC000675290955 1074782093 /nfs/dbraw/zinc/78/20/93/1074782093.db2.gz MTLVZVZKJHBBIP-UHFFFAOYSA-N 0 0 405.402 1.549 20 0 HDADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCC[C@H](COC)C2)c1 ZINC000466669154 1074782640 /nfs/dbraw/zinc/78/26/40/1074782640.db2.gz FLBHQPCXSVEDFH-INIZCTEOSA-N 0 0 413.540 1.154 20 0 HDADRN C[C@]1(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)CCCN1C(=O)c1ccccc1 ZINC000766101303 1074783129 /nfs/dbraw/zinc/78/31/29/1074783129.db2.gz OCOSMUIOAYWPGQ-XMSQKQJNSA-N 0 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COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)c1ccc(C)cc1 ZINC000560189335 1074785022 /nfs/dbraw/zinc/78/50/22/1074785022.db2.gz SSLXBIDPXFOCPI-OAHLLOKOSA-N 0 0 400.435 1.584 20 0 HDADRN COC(=O)[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1)CC(C)C ZINC000483935375 1074785071 /nfs/dbraw/zinc/78/50/71/1074785071.db2.gz TZBPAWMCQDEAFF-AWEZNQCLSA-N 0 0 421.885 1.870 20 0 HDADRN COCCCn1cc(C)c(NC(=O)c2nn(C)cc2I)n1 ZINC001273161132 1074785483 /nfs/dbraw/zinc/78/54/83/1074785483.db2.gz DBEYFBRLOXYQAL-UHFFFAOYSA-N 0 0 403.224 1.818 20 0 HDADRN CCC(=O)NCc1cc(S(=O)(=O)N2CCC[C@@H](OCCOC)C2)ccc1OC ZINC000509318728 1074785734 /nfs/dbraw/zinc/78/57/34/1074785734.db2.gz YQPJWJBIYCCAFU-MRXNPFEDSA-N 0 0 414.524 1.538 20 0 HDADRN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)Nc1ccc2nnnn2n1 ZINC000536086008 1074786107 /nfs/dbraw/zinc/78/61/07/1074786107.db2.gz GRJLLBFIZBLJIR-LBPRGKRZSA-N 0 0 416.239 1.959 20 0 HDADRN C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)c1 ZINC000675281410 1074786582 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1.320 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)n[nH]1 ZINC000550806050 1074788653 /nfs/dbraw/zinc/78/86/53/1074788653.db2.gz GTHFRUJQZIVVOU-UHFFFAOYSA-N 0 0 403.442 2.427 20 0 HDADRN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)c2ccccc2O1 ZINC000549789876 1074789226 /nfs/dbraw/zinc/78/92/26/1074789226.db2.gz JSDFYVLFMTZBJD-SUMWQHHRSA-N 0 0 412.446 2.068 20 0 HDADRN O=C(NCCc1cc(F)ccc1F)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295015 1074789658 /nfs/dbraw/zinc/78/96/58/1074789658.db2.gz DRUYGBAWSGQMKL-INIZCTEOSA-N 0 0 423.366 1.823 20 0 HDADRN Cc1cc(Br)ccc1CN(C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429328345 1074789671 /nfs/dbraw/zinc/78/96/71/1074789671.db2.gz DOQXZJKRJKAIFG-UHFFFAOYSA-N 0 0 421.361 1.731 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)nn1C1CCCCC1 ZINC000579653448 1074789710 /nfs/dbraw/zinc/78/97/10/1074789710.db2.gz BSOVFIXPZOVYCC-UHFFFAOYSA-N 0 0 408.466 2.558 20 0 HDADRN COC(=O)C(C)(C)N1CCN(C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000429328233 1074790116 /nfs/dbraw/zinc/79/01/16/1074790116.db2.gz DHNRLYIUMIUWBO-UHFFFAOYSA-N 0 0 404.389 1.512 20 0 HDADRN CC(C)(CNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O)c1ccncc1 ZINC000675294372 1074790001 /nfs/dbraw/zinc/79/00/01/1074790001.db2.gz GOVIXIFIWAHUJC-INIZCTEOSA-N 0 0 416.428 1.675 20 0 HDADRN O=C(NCc1ccc(Cl)cn1)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295136 1074790051 /nfs/dbraw/zinc/79/00/51/1074790051.db2.gz TZMUXHUROOZSRS-CQSZACIVSA-N 0 0 408.792 1.551 20 0 HDADRN CN(C)c1nc(CNC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cs1 ZINC000675296934 1074790775 /nfs/dbraw/zinc/79/07/75/1074790775.db2.gz ISPJTWCOQWRVHO-CYBMUJFWSA-N 0 0 423.445 1.025 20 0 HDADRN COC(=O)[C@](C)(CNC(=O)C(=O)Nc1ccc(OC(C)C)nn1)c1ccc(F)cc1 ZINC000551740683 1074792537 /nfs/dbraw/zinc/79/25/37/1074792537.db2.gz NJZRTCBFERDBGV-HXUWFJFHSA-N 0 0 418.425 1.589 20 0 HDADRN CC(C)OCCS(=O)(=O)NCC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544570792 1074792900 /nfs/dbraw/zinc/79/29/00/1074792900.db2.gz 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CC(C)c1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)on1 ZINC000675304901 1074793506 /nfs/dbraw/zinc/79/35/06/1074793506.db2.gz IGOVUFRIPZWXIE-OAHLLOKOSA-N 0 0 404.854 1.989 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)nn1[C@@H](C)C1CC1 ZINC000555319027 1074793535 /nfs/dbraw/zinc/79/35/35/1074793535.db2.gz KWQOJPVDWGFXBR-ZDUSSCGKSA-N 0 0 419.507 2.136 20 0 HDADRN COc1ccc(NC(=O)C[C@@H]2CCCC(=O)N2)cc1NC(=O)C[C@@H]1CCCC(=O)N1 ZINC000675304734 1074794200 /nfs/dbraw/zinc/79/42/00/1074794200.db2.gz NDQHGFCJQKSAEV-KBPBESRZSA-N 0 0 416.478 1.690 20 0 HDADRN O=C(CN1C[C@@H](CO)Oc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000675306213 1074794690 /nfs/dbraw/zinc/79/46/90/1074794690.db2.gz IKLQADBRVZNIFT-SJORKVTESA-N 0 0 408.520 1.205 20 0 HDADRN COc1ccc(CN2C[C@H](C(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)CC2=O)cc1 ZINC000766102179 1074795010 /nfs/dbraw/zinc/79/50/10/1074795010.db2.gz ZOCOLGVCHVKABL-IEBWSBKVSA-N 0 0 416.474 1.224 20 0 HDADRN COc1cc(OC)c(OC)cc1CNC(=O)CN1C[C@H](CO)Oc2ccccc21 ZINC000675306241 1074795375 /nfs/dbraw/zinc/79/53/75/1074795375.db2.gz JGYNFFIJAGHAMF-OAHLLOKOSA-N 0 0 402.447 1.589 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)n(C2CCOCC2)n1 ZINC000555310560 1074795533 /nfs/dbraw/zinc/79/55/33/1074795533.db2.gz TUJVPVBEPRMGHM-UHFFFAOYSA-N 0 0 408.462 2.365 20 0 HDADRN O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)Nc1nnc(C(F)(F)F)s1 ZINC000480002355 1074795674 /nfs/dbraw/zinc/79/56/74/1074795674.db2.gz QWGAWMCMNKZKLC-ZETCQYMHSA-N 0 0 406.342 1.847 20 0 HDADRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)N1CCc2ccc(O)cc2C1 ZINC000675306508 1074796086 /nfs/dbraw/zinc/79/60/86/1074796086.db2.gz OROVLIFSLZXVLH-SFHVURJKSA-N 0 0 413.861 1.852 20 0 HDADRN O=C(NCCCOC[C@@H]1CCCO1)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000675306334 1074796298 /nfs/dbraw/zinc/79/62/98/1074796298.db2.gz BRKDUZAELNMMSO-DLBZAZTESA-N 0 0 423.897 1.263 20 0 HDADRN O=C(NC[C@H]1CCCS1)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000465304402 1074797290 /nfs/dbraw/zinc/79/72/90/1074797290.db2.gz 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ZINC000676050031 1075332606 /nfs/dbraw/zinc/33/26/06/1075332606.db2.gz UNCFFFPOYAXHEK-UHFFFAOYSA-N 0 0 410.518 1.574 20 0 HDADRN NC(=O)[C@@H](NC(=O)c1cc(I)c(F)cc1F)c1ccccn1 ZINC001129173385 1075332893 /nfs/dbraw/zinc/33/28/93/1075332893.db2.gz DPOFKDZUVIQFCY-LBPRGKRZSA-N 0 0 417.153 1.921 20 0 HDADRN CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000731407576 1075332982 /nfs/dbraw/zinc/33/29/82/1075332982.db2.gz XKLNIVKFLKNDHX-CVEARBPZSA-N 0 0 412.508 1.101 20 0 HDADRN CS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)c1 ZINC000731407821 1075332991 /nfs/dbraw/zinc/33/29/91/1075332991.db2.gz NJJKFEWQZLCIOG-HXUWFJFHSA-N 0 0 402.472 1.369 20 0 HDADRN COc1ccc(-n2c(C)nnc2SCC(=O)N[C@H](C(N)=O)c2ccccn2)cc1 ZINC001129173432 1075332980 /nfs/dbraw/zinc/33/29/80/1075332980.db2.gz GGNZHBYVMYKIOO-KRWDZBQOSA-N 0 0 412.475 1.414 20 0 HDADRN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C(=O)N1CCC2(CC1)OCCO2 ZINC000731407362 1075333321 /nfs/dbraw/zinc/33/33/21/1075333321.db2.gz 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C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)NCCOc1cccnc1 ZINC000804076026 1075334620 /nfs/dbraw/zinc/33/46/20/1075334620.db2.gz BXBSRFFUJCPABJ-HNNXBMFYSA-N 0 0 412.446 1.753 20 0 HDADRN O=C(NCCOc1cccnc1)C(=O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000804076071 1075335037 /nfs/dbraw/zinc/33/50/37/1075335037.db2.gz OKCUGNIVRITNGJ-QGZVFWFLSA-N 0 0 421.400 1.778 20 0 HDADRN Cc1ccc([C@H](NC(=O)Nc2nc3nc(C)cc(C)n3n2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435772905 1075335199 /nfs/dbraw/zinc/33/51/99/1075335199.db2.gz ILBJYUFKHHNKLS-GDBMZVCRSA-N 0 0 416.507 2.345 20 0 HDADRN O=C(NC[C@]1(O)CCCc2ccccc21)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000731411298 1075335357 /nfs/dbraw/zinc/33/53/57/1075335357.db2.gz KHKAHYVEAYQVEB-JOCHJYFZSA-N 0 0 409.442 1.922 20 0 HDADRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000731412063 1075335435 /nfs/dbraw/zinc/33/54/35/1075335435.db2.gz VXURWYMKUHQXAV-HSZRJFAPSA-N 0 0 409.486 1.976 20 0 HDADRN O=C(NC[C@@]1(O)CCCc2ccccc21)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000731411792 1075335437 /nfs/dbraw/zinc/33/54/37/1075335437.db2.gz PRBPLRADLKEANM-QFIPXVFZSA-N 0 0 405.458 1.605 20 0 HDADRN COCCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCOC4(CCC4)C3)cc2S1(=O)=O ZINC001129171094 1075335578 /nfs/dbraw/zinc/33/55/78/1075335578.db2.gz LBVJZDVBCYKXNS-CQSZACIVSA-N 0 0 422.503 1.557 20 0 HDADRN Cn1cnnc1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CCCc3ccccc32)c1 ZINC000731412297 1075336067 /nfs/dbraw/zinc/33/60/67/1075336067.db2.gz WZYVDUBLHCKMRS-JOCHJYFZSA-N 0 0 405.458 1.761 20 0 HDADRN COCCn1cc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c2ccccc21 ZINC000509378925 1075336501 /nfs/dbraw/zinc/33/65/01/1075336501.db2.gz FFDJABKSBUALIY-KSSFIOAISA-N 0 0 402.447 1.855 20 0 HDADRN COc1cc([C@@H](C)NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)cc(OC)c1OC ZINC000544168776 1075337340 /nfs/dbraw/zinc/33/73/40/1075337340.db2.gz RBCDMMSXKMGZHD-LLVKDONJSA-N 0 0 405.455 1.875 20 0 HDADRN CC(C)N1C(=S)N=NC1CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000731442103 1075337404 /nfs/dbraw/zinc/33/74/04/1075337404.db2.gz 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ZINC000732326836 1075704416 /nfs/dbraw/zinc/70/44/16/1075704416.db2.gz FOFWULDYXIFDCL-UHFFFAOYSA-N 0 0 404.491 1.848 20 0 HDADRN Cn1cc(N2CC[C@H](OC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)C2=O)cn1 ZINC000732327864 1075704627 /nfs/dbraw/zinc/70/46/27/1075704627.db2.gz MHSMKCWAMWZNSJ-ZBEGNZNMSA-N 0 0 404.373 1.400 20 0 HDADRN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000732327340 1075704967 /nfs/dbraw/zinc/70/49/67/1075704967.db2.gz LRQJHBPKRONRES-AWEZNQCLSA-N 0 0 417.813 1.020 20 0 HDADRN Cc1ccc(Nc2nc(N)nc(CN3CC[C@@H](S(=O)(=O)N4CCCC4)C3)n2)cc1 ZINC000487166631 1075705075 /nfs/dbraw/zinc/70/50/75/1075705075.db2.gz PQVFDKOUTHUPRG-MRXNPFEDSA-N 0 0 417.539 1.506 20 0 HDADRN C[C@@H]1CN(Cc2csc(NC(=O)c3cccc(OCC(N)=O)c3)n2)C[C@H](C)O1 ZINC000030584809 1075705269 /nfs/dbraw/zinc/70/52/69/1075705269.db2.gz GNPOZIIRFNVSEE-BETUJISGSA-N 0 0 404.492 1.869 20 0 HDADRN CN(C)C(=O)Cn1ccc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)n1 ZINC000522334408 1075705341 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CN(C)C(=O)Cn1ccc(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC000432339986 1075707285 /nfs/dbraw/zinc/70/72/85/1075707285.db2.gz VUCHNQCXXKAXMY-CQSZACIVSA-N 0 0 406.284 1.951 20 0 HDADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCc1cncnc1N ZINC000535942707 1075707596 /nfs/dbraw/zinc/70/75/96/1075707596.db2.gz JAHFJYRDZNWNOX-UHFFFAOYSA-N 0 0 404.496 1.864 20 0 HDADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCc1cncnc1N ZINC000494924111 1075707632 /nfs/dbraw/zinc/70/76/32/1075707632.db2.gz PGXGSSFCNTVTFM-CQSZACIVSA-N 0 0 403.508 1.860 20 0 HDADRN COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 ZINC000429467666 1075707961 /nfs/dbraw/zinc/70/79/61/1075707961.db2.gz GOWHWYAQPLKSGR-QGZVFWFLSA-N 0 0 414.506 1.245 20 0 HDADRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3nnc(N)o3)cc2)cc1C ZINC000473250630 1075708482 /nfs/dbraw/zinc/70/84/82/1075708482.db2.gz SZTUBASTEIHZRO-UHFFFAOYSA-N 0 0 401.448 1.999 20 0 HDADRN C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)OCCO2 ZINC000732340059 1075709214 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1075711618 /nfs/dbraw/zinc/71/16/18/1075711618.db2.gz ZZPWUXZBXWDGBZ-NSHDSACASA-N 0 0 413.427 1.710 20 0 HDADRN Cn1cc(N2CC[C@@H](OC(=O)c3ccc(I)cc3)C2=O)cn1 ZINC000732313780 1075711795 /nfs/dbraw/zinc/71/17/95/1075711795.db2.gz YSPCRONWBDJCSC-CYBMUJFWSA-N 0 0 411.199 1.987 20 0 HDADRN CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000509440597 1075711860 /nfs/dbraw/zinc/71/18/60/1075711860.db2.gz YDLCJIXSUVGWLC-GOSISDBHSA-N 0 0 401.488 1.369 20 0 HDADRN COc1ccc(C(=O)NCc2cncnc2N)cc1S(=O)(=O)N1CCCCCC1 ZINC000494909249 1075711868 /nfs/dbraw/zinc/71/18/68/1075711868.db2.gz KWNIQHIAAIIANB-UHFFFAOYSA-N 0 0 419.507 1.562 20 0 HDADRN Cn1cc(N2CC[C@H](OC(=O)CSCc3cc(=O)n4ccsc4n3)C2=O)cn1 ZINC000732316016 1075712290 /nfs/dbraw/zinc/71/22/90/1075712290.db2.gz CIEBBEAULKTJHC-ZDUSSCGKSA-N 0 0 419.488 1.071 20 0 HDADRN C[C@@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CCN(CC(F)(F)F)CC1 ZINC000509254986 1075712363 /nfs/dbraw/zinc/71/23/63/1075712363.db2.gz NNNYRABXSJNPQI-OCCSQVGLSA-N 0 0 410.462 1.786 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20 0 HDADRN COc1cccc(-c2nc(=NC(=O)C(=O)NCCC[NH+]3CCCCC3)s[n-]2)c1 ZINC000543535781 1074040253 /nfs/dbraw/zinc/04/02/53/1074040253.db2.gz FUZYYHALIAETNS-UHFFFAOYSA-N 0 0 403.508 1.566 20 0 HDADRN CCCN(C(=O)[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC000543539208 1074042466 /nfs/dbraw/zinc/04/24/66/1074042466.db2.gz NPLMFSFANMLRPG-MELADBBJSA-N 0 0 400.545 1.832 20 0 HDADRN CN(CCc1ccc(F)cc1)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543537034 1074045145 /nfs/dbraw/zinc/04/51/45/1074045145.db2.gz ZOQLPGGTGOALAF-UHFFFAOYSA-N 0 0 419.478 1.787 20 0 HDADRN COc1ccc(Br)c(C(=O)NCCCNC(=O)N(C)CC(C)(C)O)c1 ZINC000466589223 1074045515 /nfs/dbraw/zinc/04/55/15/1074045515.db2.gz LHKDLUSXQSBAMH-UHFFFAOYSA-N 0 0 416.316 1.990 20 0 HDADRN COc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)C2=O)cc1 ZINC000466589165 1074045525 /nfs/dbraw/zinc/04/55/25/1074045525.db2.gz QRZGECAXKXGZDZ-KSZLIROESA-N 0 0 402.495 1.530 20 0 HDADRN CCCCCn1nc(C)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000674003036 1074046680 /nfs/dbraw/zinc/04/66/80/1074046680.db2.gz ZLQKMOPQVIMRFZ-UHFFFAOYSA-N 0 0 423.539 1.993 20 0 HDADRN COC(=O)C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccc(OC)c(OC)c1 ZINC000031494984 1074047405 /nfs/dbraw/zinc/04/74/05/1074047405.db2.gz QIBOVZGHSQZHIR-INIZCTEOSA-N 0 0 415.446 1.906 20 0 HDADRN COCCOc1ccccc1N1CCN(S(=O)(=O)c2cccc3c2OCO3)CC1 ZINC000509198126 1074048535 /nfs/dbraw/zinc/04/85/35/1074048535.db2.gz SMBKILNWIBTGTI-UHFFFAOYSA-N 0 0 420.487 1.951 20 0 HDADRN CCN(C(=O)CN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1)[C@H]1CCS(=O)(=O)C1 ZINC000543542333 1074049251 /nfs/dbraw/zinc/04/92/51/1074049251.db2.gz JDOPNXVZBRRHNU-HIFRSBDPSA-N 0 0 424.498 1.870 20 0 HDADRN CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000466595474 1074049649 /nfs/dbraw/zinc/04/96/49/1074049649.db2.gz HZSQOFQYXOOTIJ-OAHLLOKOSA-N 0 0 408.524 1.177 20 0 HDADRN COC[C@@H]1CCN(C(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000509197565 1074050059 /nfs/dbraw/zinc/05/00/59/1074050059.db2.gz QOQIZROQOJDIJR-MRXNPFEDSA-N 0 0 411.524 1.480 20 0 HDADRN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCN(c2cccs2)CC1 ZINC000466594027 1074053030 /nfs/dbraw/zinc/05/30/30/1074053030.db2.gz WGVBYVFXKIYSNU-OAHLLOKOSA-N 0 0 416.569 1.068 20 0 HDADRN O=C(c1cccn2c(I)cnc12)N1CCN2C(=O)CC[C@@H]2C1 ZINC000766049335 1074054871 /nfs/dbraw/zinc/05/48/71/1074054871.db2.gz MWVRQZFLNGWFMZ-SNVBAGLBSA-N 0 0 410.215 1.386 20 0 HDADRN C[C@H]1C[C@H]1N1C[C@H](NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1=O ZINC000429195738 1074054937 /nfs/dbraw/zinc/05/49/37/1074054937.db2.gz DBOJBQQPWIHFGG-DBXHJTGRSA-N 0 0 401.511 1.504 20 0 HDADRN Cc1nn(C)c(C)c1CNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000466596673 1074056204 /nfs/dbraw/zinc/05/62/04/1074056204.db2.gz LLRSTIXQIYGQDT-FQEVSTJZSA-N 0 0 410.522 1.670 20 0 HDADRN Cc1nsc(N2CCN(C/C=C\CN3CCN(c4nc(C)ns4)CC3)CC2)n1 ZINC000674008101 1074056846 /nfs/dbraw/zinc/05/68/46/1074056846.db2.gz XWCUTGVPUQFINH-ARJAWSKDSA-N 0 0 420.612 1.507 20 0 HDADRN CCOc1ccc(OCCS(=O)(=O)Cc2nnnn2CC2CCOCC2)cc1 ZINC000766051128 1074057818 /nfs/dbraw/zinc/05/78/18/1074057818.db2.gz KHUGNTKFCVURED-UHFFFAOYSA-N 0 0 410.496 1.492 20 0 HDADRN CCCCn1c(N)c(N(CCOC)C(=O)[C@H]2Cc3ccccc3S2)c(=O)[nH]c1=O ZINC000014788384 1074059135 /nfs/dbraw/zinc/05/91/35/1074059135.db2.gz FTOSESPJCSUWLI-OAHLLOKOSA-N 0 0 418.519 1.615 20 0 HDADRN O=S(=O)(Cc1nnnn1CC1CCOCC1)C[C@H](O)c1cc(F)ccc1F ZINC000766052388 1074059678 /nfs/dbraw/zinc/05/96/78/1074059678.db2.gz UJIROXQNMZSTSE-HNNXBMFYSA-N 0 0 402.423 1.026 20 0 HDADRN NC(=O)[C@@H]1CCCN(C(=O)C[S@](=O)Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC000467001434 1074061701 /nfs/dbraw/zinc/06/17/01/1074061701.db2.gz GGHZSHJYNIJGKI-PFUSGODGSA-N 0 0 408.911 1.498 20 0 HDADRN CCOc1cc(NC2CCN(C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)ncn1 ZINC000466599615 1074062620 /nfs/dbraw/zinc/06/26/20/1074062620.db2.gz LTIMQMVTVOJWRE-IYBDPMFKSA-N 0 0 415.494 1.453 20 0 HDADRN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](C)c1nc(C(C)(C)C)no1 ZINC000543548495 1074063425 /nfs/dbraw/zinc/06/34/25/1074063425.db2.gz ZXEPTBOOXWCYAD-SNVBAGLBSA-N 0 0 411.484 1.312 20 0 HDADRN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000543548494 1074063607 /nfs/dbraw/zinc/06/36/07/1074063607.db2.gz ZXEPTBOOXWCYAD-JTQLQIEISA-N 0 0 411.484 1.312 20 0 HDADRN C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000674014488 1074066321 /nfs/dbraw/zinc/06/63/21/1074066321.db2.gz WIZWHSHLTYXWGP-CYBMUJFWSA-N 0 0 423.516 1.500 20 0 HDADRN COCc1nc2n(n1)C[C@H](NC(=O)NCCCOc1cc(OC)cc(OC)c1)CC2 ZINC000466601133 1074066768 /nfs/dbraw/zinc/06/67/68/1074066768.db2.gz MAKICZHSACUVNN-CQSZACIVSA-N 0 0 419.482 1.525 20 0 HDADRN CNS(=O)(=O)N1CCC(C(=O)N(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000509198200 1074067509 /nfs/dbraw/zinc/06/75/09/1074067509.db2.gz SEOOCRROEYHRQQ-SFHVURJKSA-N 0 0 423.514 1.283 20 0 HDADRN COc1ccc(C2(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CCCC2)cc1 ZINC000058834241 1074067569 /nfs/dbraw/zinc/06/75/69/1074067569.db2.gz XHZREUSROACERB-UHFFFAOYSA-N 0 0 409.552 1.200 20 0 HDADRN COCCOC1(CNC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CCOCC1 ZINC001273126834 1074068679 /nfs/dbraw/zinc/06/86/79/1074068679.db2.gz QOSNXSBDJXYJDK-UHFFFAOYSA-N 0 0 421.462 1.554 20 0 HDADRN CCOC(=O)CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000058863130 1074069567 /nfs/dbraw/zinc/06/95/67/1074069567.db2.gz QENDTJFVAXFGGC-UHFFFAOYSA-N 0 0 404.435 1.577 20 0 HDADRN COc1ccc([C@H](CNC(=O)N[C@H]2CC(=O)N(C(C)C)C2)N2CCOCC2)cc1 ZINC000429200784 1074070414 /nfs/dbraw/zinc/07/04/14/1074070414.db2.gz CBEJWUVVDGJPDV-HKUYNNGSSA-N 0 0 404.511 1.377 20 0 HDADRN COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(C)cc1N1CCOCC1)CC2 ZINC000466604781 1074071072 /nfs/dbraw/zinc/07/10/72/1074071072.db2.gz SPFMXHSTEMGFLZ-KRWDZBQOSA-N 0 0 414.510 1.384 20 0 HDADRN COc1cc(C(=O)NCC(=O)Nc2ccc(F)c(C(N)=O)c2)cc(OC)c1OC ZINC000058888776 1074072924 /nfs/dbraw/zinc/07/29/24/1074072924.db2.gz YLBSICDQVAZQJU-UHFFFAOYSA-N 0 0 405.382 1.319 20 0 HDADRN NS(=O)(=O)c1ccc(OCC(=O)NCCC2CCN(CC(F)(F)F)CC2)cc1 ZINC000674018174 1074075192 /nfs/dbraw/zinc/07/51/92/1074075192.db2.gz UFKUTKDRNDUGEM-UHFFFAOYSA-N 0 0 423.457 1.493 20 0 HDADRN COCCOC1(CNC(=O)c2ccccc2OCc2noc(C)n2)CCOCC1 ZINC001273127480 1074075588 /nfs/dbraw/zinc/07/55/88/1074075588.db2.gz YFCXTCLPXKTBNP-UHFFFAOYSA-N 0 0 405.451 1.899 20 0 HDADRN COC(=O)c1ccsc1N1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1=O ZINC000466604723 1074077207 /nfs/dbraw/zinc/07/72/07/1074077207.db2.gz RSFOFWMYGFHGTQ-YUTCNCBUSA-N 0 0 422.507 1.373 20 0 HDADRN CCNC(=O)c1ccc(NC(=O)C(=O)NCCCNC(=O)c2ccccc2)c(C)c1 ZINC000507124016 1074077587 /nfs/dbraw/zinc/07/75/87/1074077587.db2.gz DDHKFGYURJZBGF-UHFFFAOYSA-N 0 0 410.474 1.620 20 0 HDADRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)N[C@H]2CCCSC2)cc1 ZINC000674021678 1074078467 /nfs/dbraw/zinc/07/84/67/1074078467.db2.gz JASBKFAGFZXTJX-KRWDZBQOSA-N 0 0 405.568 1.914 20 0 HDADRN CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCCCn1ccnc1 ZINC001626093751 1074079636 /nfs/dbraw/zinc/07/96/36/1074079636.db2.gz WFNCQOBDPGCWIJ-UHFFFAOYSA-N 0 0 421.523 1.678 20 0 HDADRN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1=O ZINC000429203498 1074080032 /nfs/dbraw/zinc/08/00/32/1074080032.db2.gz HWSCLBCRNQOQDW-QIIPPGSGSA-N 0 0 402.470 1.739 20 0 HDADRN CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000674023839 1074081274 /nfs/dbraw/zinc/08/12/74/1074081274.db2.gz LXJPUALUCKZEDR-QGZVFWFLSA-N 0 0 402.582 1.823 20 0 HDADRN CCc1cc(N2CCC(NC(=O)Nc3ccc(S(=O)(=O)NC)cc3)CC2)ncn1 ZINC000674023266 1074082123 /nfs/dbraw/zinc/08/21/23/1074082123.db2.gz HBSLDGCEFIQNFC-UHFFFAOYSA-N 0 0 418.523 1.738 20 0 HDADRN CC(C)(CNC(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)S(C)(=O)=O ZINC000674023144 1074082610 /nfs/dbraw/zinc/08/26/10/1074082610.db2.gz RBWBKYNHAQIWQA-UHFFFAOYSA-N 0 0 413.565 1.749 20 0 HDADRN CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl ZINC000674023071 1074082626 /nfs/dbraw/zinc/08/26/26/1074082626.db2.gz FUSPLRIDARYOKM-CQSZACIVSA-N 0 0 408.973 1.860 20 0 HDADRN COc1ccc(CN2CCCN(C(=O)c3ccc(CS(C)(=O)=O)o3)CC2=O)cc1 ZINC000466607142 1074084696 /nfs/dbraw/zinc/08/46/96/1074084696.db2.gz KVGZCVBSVBSWNE-UHFFFAOYSA-N 0 0 420.487 1.708 20 0 HDADRN COc1ccc(CS(=O)(=O)CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)nn1 ZINC000509203890 1074085082 /nfs/dbraw/zinc/08/50/82/1074085082.db2.gz SXYVIFDGHDVSCH-ZDUSSCGKSA-N 0 0 423.491 1.603 20 0 HDADRN CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 ZINC000543556463 1074085925 /nfs/dbraw/zinc/08/59/25/1074085925.db2.gz SMEUPZPOYRBDKN-OLZOCXBDSA-N 0 0 405.524 1.732 20 0 HDADRN COC[C@@H](NC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)[C@@H]1CCCOC1 ZINC001626094844 1074086793 /nfs/dbraw/zinc/08/67/93/1074086793.db2.gz LKIDXBMNTICSSF-GDBMZVCRSA-N 0 0 414.449 1.803 20 0 HDADRN CON(C)S(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000766054514 1074086940 /nfs/dbraw/zinc/08/69/40/1074086940.db2.gz ANHAPAAEMTUJEC-MRXNPFEDSA-N 0 0 408.480 1.422 20 0 HDADRN CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000058983459 1074086960 /nfs/dbraw/zinc/08/69/60/1074086960.db2.gz 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Cc1nc(CN2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)cs1 ZINC000509137842 1073696090 /nfs/dbraw/zinc/69/60/90/1073696090.db2.gz LOVYUQLXRYQMSF-UHFFFAOYSA-N 0 0 413.591 1.914 20 0 HDADRN COC(=O)CN1CCN(c2ccc(NC(=O)N[C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000766028152 1073696796 /nfs/dbraw/zinc/69/67/96/1073696796.db2.gz UQAIFKONIHBZOX-SFHVURJKSA-N 0 0 412.494 1.904 20 0 HDADRN O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000509137386 1073697557 /nfs/dbraw/zinc/69/75/57/1073697557.db2.gz LQTIDEQVYKMKHF-KBPBESRZSA-N 0 0 413.565 1.725 20 0 HDADRN COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000429123002 1073699712 /nfs/dbraw/zinc/69/97/12/1073699712.db2.gz NVTGFRLODIUMEO-KRWDZBQOSA-N 0 0 424.501 1.834 20 0 HDADRN Cc1ccc(C(=O)Nc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)cc1S(N)(=O)=O ZINC000673760051 1073700578 /nfs/dbraw/zinc/70/05/78/1073700578.db2.gz YTTRJLIUYKUBCX-GFCCVEGCSA-N 0 0 416.459 1.648 20 0 HDADRN C[C@H](NC(=O)Nc1cnn(Cc2ccccn2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000673762605 1073701191 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C[C@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C[C@@H]1O ZINC000509143460 1073716593 /nfs/dbraw/zinc/71/65/93/1073716593.db2.gz ZGRHSGVRHCKDLQ-JXFKEZNVSA-N 0 0 417.531 1.758 20 0 HDADRN CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000673782338 1073717615 /nfs/dbraw/zinc/71/76/15/1073717615.db2.gz LKOCAAWUOLWOLL-UHFFFAOYSA-N 0 0 402.426 1.675 20 0 HDADRN CCOCCOCc1cccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000673782344 1073718311 /nfs/dbraw/zinc/71/83/11/1073718311.db2.gz BLTRMOUSVCXCMR-HXUWFJFHSA-N 0 0 419.522 1.501 20 0 HDADRN CC(=O)N1CCC(N(CCNS(=O)(=O)c2ccccc2)Cc2cncs2)CC1 ZINC000429131824 1073720413 /nfs/dbraw/zinc/72/04/13/1073720413.db2.gz YIRQZBNGEXHUOE-UHFFFAOYSA-N 0 0 422.576 1.935 20 0 HDADRN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000673783500 1073721109 /nfs/dbraw/zinc/72/11/09/1073721109.db2.gz VGECGSNZPLMLHP-QGZVFWFLSA-N 0 0 402.495 1.006 20 0 HDADRN COc1cc(OC)c(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1Cl ZINC000673782747 1073722619 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414.481 1.761 20 0 HDADRN COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccs1 ZINC000509167168 1073881673 /nfs/dbraw/zinc/88/16/73/1073881673.db2.gz CZNYLOZBMVQOLM-INIZCTEOSA-N 0 0 424.500 1.413 20 0 HDADRN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)O1 ZINC000466552859 1073882590 /nfs/dbraw/zinc/88/25/90/1073882590.db2.gz VMZCAZNJYBEDPX-MAUKXSAKSA-N 0 0 401.463 1.286 20 0 HDADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)NCCc1cn2c(n1)SCC2 ZINC000466552647 1073883443 /nfs/dbraw/zinc/88/34/43/1073883443.db2.gz QENVJDRZZKEWKD-UHFFFAOYSA-N 0 0 418.500 1.845 20 0 HDADRN CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)n1 ZINC000673911745 1073883601 /nfs/dbraw/zinc/88/36/01/1073883601.db2.gz FGFIIPJKRXFWLK-GFCCVEGCSA-N 0 0 411.484 1.514 20 0 HDADRN CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O ZINC000673911053 1073884090 /nfs/dbraw/zinc/88/40/90/1073884090.db2.gz MBYDHZSSMAPGKA-KRWDZBQOSA-N 0 0 421.475 1.918 20 0 HDADRN 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/nfs/dbraw/zinc/41/53/64/1075415364.db2.gz KYVRBCUKIJCZCQ-HNNXBMFYSA-N 0 0 407.492 1.960 20 0 HDADRN CCN1CCN(C(=O)C(=O)NCc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000804108104 1075415767 /nfs/dbraw/zinc/41/57/67/1075415767.db2.gz XAAUOXBJWVMDBE-UHFFFAOYSA-N 0 0 418.538 1.534 20 0 HDADRN COC(=O)c1cnoc1CN1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000509386819 1075415770 /nfs/dbraw/zinc/41/57/70/1075415770.db2.gz KNRWIPGQGHADJK-UHFFFAOYSA-N 0 0 412.244 1.345 20 0 HDADRN C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cccc4c3OC(C)(C)C4)CC2)C[C@@H](C)O1 ZINC000509386397 1075415845 /nfs/dbraw/zinc/41/58/45/1075415845.db2.gz KDJVJQUPOHIYPF-IAGOWNOFSA-N 0 0 423.579 1.872 20 0 HDADRN CO[C@H]1CCC[C@@H]1CNC(=O)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000804109649 1075416237 /nfs/dbraw/zinc/41/62/37/1075416237.db2.gz NIEZWAZORGYLGL-SJORKVTESA-N 0 0 409.527 1.991 20 0 HDADRN COc1ccc(F)cc1NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000509238812 1075416853 /nfs/dbraw/zinc/41/68/53/1075416853.db2.gz YXGQLMIDAXXZHX-UHFFFAOYSA-N 0 0 401.398 1.777 20 0 HDADRN Cc1sc(C(N)=O)cc1NC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C ZINC000676186509 1075417059 /nfs/dbraw/zinc/41/70/59/1075417059.db2.gz VLOYJBLGZFHNPK-UHFFFAOYSA-N 0 0 404.492 1.711 20 0 HDADRN Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC(C(=O)c4ccc(O)cc4)CC3)cnc21 ZINC000676187639 1075418006 /nfs/dbraw/zinc/41/80/06/1075418006.db2.gz IKYRTDOIDDNMKP-UHFFFAOYSA-N 0 0 408.414 1.475 20 0 HDADRN Cc1nn(-c2ccccc2)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC000676187503 1075418107 /nfs/dbraw/zinc/41/81/07/1075418107.db2.gz DVWIWPVYOMJTBT-HXUWFJFHSA-N 0 0 419.485 1.513 20 0 HDADRN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000676187254 1075418113 /nfs/dbraw/zinc/41/81/13/1075418113.db2.gz ALHZTEBTNROSSK-VQTJNVASSA-N 0 0 401.507 1.769 20 0 HDADRN NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000676188155 1075418471 /nfs/dbraw/zinc/41/84/71/1075418471.db2.gz LNTWJATUNJKZRR-WIYYLYMNSA-N 0 0 407.514 1.901 20 0 HDADRN CCOC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731624558 1075418693 /nfs/dbraw/zinc/41/86/93/1075418693.db2.gz CFYYERUERKMKEY-UHFFFAOYSA-N 0 0 402.426 1.083 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000440310142 1075418784 /nfs/dbraw/zinc/41/87/84/1075418784.db2.gz AGZWTHNNIBOJBZ-AWEZNQCLSA-N 0 0 411.437 2.449 20 0 HDADRN COc1cccc(N2CC[C@@H](NC(=O)C(=O)N3CCCC[C@H]3C3OCCO3)C2)c1 ZINC000804118334 1075418946 /nfs/dbraw/zinc/41/89/46/1075418946.db2.gz NACNJHDKVDRMIA-QAPCUYQASA-N 0 0 403.479 1.144 20 0 HDADRN CCN(CC)S(=O)(=O)CC(=O)N1CCN(c2ccccc2OCCOC)CC1 ZINC000676188389 1075418962 /nfs/dbraw/zinc/41/89/62/1075418962.db2.gz OLQKVYMHNDBHJO-UHFFFAOYSA-N 0 0 413.540 1.032 20 0 HDADRN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC000731626199 1075419529 /nfs/dbraw/zinc/41/95/29/1075419529.db2.gz KGQGUWMLPDRIIX-DZGCQCFKSA-N 0 0 414.574 1.755 20 0 HDADRN COC(=O)c1cccc(CNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000466719775 1075420347 /nfs/dbraw/zinc/42/03/47/1075420347.db2.gz SNADQZBTIVECEU-UHFFFAOYSA-N 0 0 422.441 1.526 20 0 HDADRN NC(=O)CCSc1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000731629235 1075420763 /nfs/dbraw/zinc/42/07/63/1075420763.db2.gz OWTZEBZYVOEQJK-UHFFFAOYSA-N 0 0 419.484 1.437 20 0 HDADRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNS(=O)(=O)c1c(C)noc1C ZINC000676191627 1075420997 /nfs/dbraw/zinc/42/09/97/1075420997.db2.gz UZQPDTSGPQCLHK-UHFFFAOYSA-N 0 0 419.463 1.267 20 0 HDADRN CCO[C@@H]1C[C@@H](O)C12CCN([C@H]1CCN(c3sccc3C(=O)OC)C1=O)CC2 ZINC000466720002 1075421315 /nfs/dbraw/zinc/42/13/15/1075421315.db2.gz YNTSVKJFGVLUBL-ARFHVFGLSA-N 0 0 408.520 1.892 20 0 HDADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCCCO)CC1)c1cccnc1 ZINC000676175820 1075421424 /nfs/dbraw/zinc/42/14/24/1075421424.db2.gz TVRMECVEDKXRGD-NRFANRHFSA-N 0 0 411.502 1.813 20 0 HDADRN CS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CCc2ccccc2C1=O ZINC000466720026 1075421854 /nfs/dbraw/zinc/42/18/54/1075421854.db2.gz OEBNUAGUMRSGTO-UHFFFAOYSA-N 0 0 408.501 1.067 20 0 HDADRN Cc1nc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nn1-c1ccccc1 ZINC000731630982 1075421759 /nfs/dbraw/zinc/42/17/59/1075421759.db2.gz NPBBEJCJJGJRBS-INIZCTEOSA-N 0 0 410.522 1.781 20 0 HDADRN COc1cccc(N2CC[C@@H](NC(=O)C(=O)N(C)Cc3ncc(Cl)n3C)C2)c1 ZINC000804117685 1075421908 /nfs/dbraw/zinc/42/19/08/1075421908.db2.gz FEPYBJWMPKWELI-CYBMUJFWSA-N 0 0 405.886 1.436 20 0 HDADRN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000731633475 1075422688 /nfs/dbraw/zinc/42/26/88/1075422688.db2.gz JEDAPBGVECWELW-UHFFFAOYSA-N 0 0 418.523 1.472 20 0 HDADRN COc1ccccc1C(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000676178572 1075422715 /nfs/dbraw/zinc/42/27/15/1075422715.db2.gz RESZKDMSDGUSBH-QGZVFWFLSA-N 0 0 417.506 1.891 20 0 HDADRN Cc1nnnn1C(=Cc1ccc(F)cc1)C(=O)NCc1n[nH]cc1Br ZINC000731632640 1075423062 /nfs/dbraw/zinc/42/30/62/1075423062.db2.gz PMWZHXZCTQWVSO-MKMNVTDBSA-N 0 0 406.219 1.921 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC1(c2noc(C)n2)CCCC1 ZINC000581973946 1075423659 /nfs/dbraw/zinc/42/36/59/1075423659.db2.gz KJCFUAPYZSKZCA-UHFFFAOYSA-N 0 0 413.413 1.930 20 0 HDADRN CCNS(=O)(=O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000731646392 1075423921 /nfs/dbraw/zinc/42/39/21/1075423921.db2.gz PDBYYGDMULIYFU-UHFFFAOYSA-N 0 0 411.505 1.157 20 0 HDADRN CCc1ccc(CCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000804118464 1075424003 /nfs/dbraw/zinc/42/40/03/1075424003.db2.gz REUHTKWYRYPBMJ-IBGZPJMESA-N 0 0 422.547 1.056 20 0 HDADRN CCNS(=O)(=O)CCNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000731647419 1075424709 /nfs/dbraw/zinc/42/47/09/1075424709.db2.gz IFEXPZOLZYCDBH-UHFFFAOYSA-N 0 0 423.495 1.804 20 0 HDADRN COc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3ccccc3)nn2)cc1OC ZINC000439013836 1075425483 /nfs/dbraw/zinc/42/54/83/1075425483.db2.gz YBIGJXBLLXPQPH-UHFFFAOYSA-N 0 0 421.457 2.328 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@H](O)CCc1ccccc1 ZINC000544227689 1075425575 /nfs/dbraw/zinc/42/55/75/1075425575.db2.gz NCGRARCAWZCUCC-INIZCTEOSA-N 0 0 411.437 1.763 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCc1nn(C)c2ccccc12 ZINC000477646616 1075425610 /nfs/dbraw/zinc/42/56/10/1075425610.db2.gz UFOCPMOZMVCCTR-UHFFFAOYSA-N 0 0 421.436 1.899 20 0 HDADRN CCNS(=O)(=O)CCNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000731646893 1075425555 /nfs/dbraw/zinc/42/55/55/1075425555.db2.gz KSNPKIAATNPZON-UHFFFAOYSA-N 0 0 417.940 1.974 20 0 HDADRN COc1ccc(NC(=O)C(=O)NCCc2ccc(OCc3ccccc3)cc2)nn1 ZINC000551722250 1075425916 /nfs/dbraw/zinc/42/59/16/1075425916.db2.gz BBJGIGOTLWUNBZ-UHFFFAOYSA-N 0 0 406.442 2.362 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000483559980 1075426423 /nfs/dbraw/zinc/42/64/23/1075426423.db2.gz KLAGLAJUFXKVJH-ZDUSSCGKSA-N 0 0 411.393 1.610 20 0 HDADRN COc1ccc(NC(=O)C(=O)NC[C@H](C)Oc2ccc(Br)cc2)nn1 ZINC000551767421 1075426928 /nfs/dbraw/zinc/42/69/28/1075426928.db2.gz NABLIKAJYMJVFD-JTQLQIEISA-N 0 0 409.240 1.770 20 0 HDADRN COc1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1NC(C)=O ZINC000676205841 1075427235 /nfs/dbraw/zinc/42/72/35/1075427235.db2.gz MYQXTKPYJBMKPV-SUMWQHHRSA-N 0 0 400.522 1.987 20 0 HDADRN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)nn1 ZINC000551417224 1075427502 /nfs/dbraw/zinc/42/75/02/1075427502.db2.gz WPSICODXVBWVHP-MRXNPFEDSA-N 0 0 413.478 1.776 20 0 HDADRN Cc1sc2ncnc(N3CCC(C(=O)N(CC[NH+](C)C)CC(=O)[O-])CC3)c2c1C ZINC000676205659 1075427696 /nfs/dbraw/zinc/42/76/96/1075427696.db2.gz JAKIHHAMAAZWDK-UHFFFAOYSA-N 0 0 419.551 1.999 20 0 HDADRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731647934 1075427678 /nfs/dbraw/zinc/42/76/78/1075427678.db2.gz HAPWOCKIUGPWOM-INIZCTEOSA-N 0 0 419.588 1.551 20 0 HDADRN CCNS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000731647598 1075427810 /nfs/dbraw/zinc/42/78/10/1075427810.db2.gz VIFTZPHSPMCOTG-UHFFFAOYSA-N 0 0 411.505 1.157 20 0 HDADRN COC[C@@H](CCO)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000676206527 1075428256 /nfs/dbraw/zinc/42/82/56/1075428256.db2.gz IQQDZUCITOJBLD-GOSISDBHSA-N 0 0 412.552 1.698 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000442024429 1075428578 /nfs/dbraw/zinc/42/85/78/1075428578.db2.gz YHLDMCOHROZHBE-HNNXBMFYSA-N 0 0 416.457 1.594 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C ZINC000440314172 1075428610 /nfs/dbraw/zinc/42/86/10/1075428610.db2.gz HDATXKJPSZZXIV-HNNXBMFYSA-N 0 0 419.457 2.136 20 0 HDADRN C[NH+](C)CCN(CC(=O)[O-])C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000676206274 1075428661 /nfs/dbraw/zinc/42/86/61/1075428661.db2.gz RLSQRIPWBLOLFW-UHFFFAOYSA-N 0 0 402.417 1.792 20 0 HDADRN CS(=O)(=O)CCN1CCC(NC(=O)COc2c(Cl)cccc2Cl)CC1 ZINC000731649406 1075428641 /nfs/dbraw/zinc/42/86/41/1075428641.db2.gz OVWNGKDGLQUSKG-UHFFFAOYSA-N 0 0 409.335 1.997 20 0 HDADRN CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)C1 ZINC000804119868 1075428710 /nfs/dbraw/zinc/42/87/10/1075428710.db2.gz LSIPSEULCXEBTC-QZTJIDSGSA-N 0 0 418.563 1.372 20 0 HDADRN COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cc2OC)nn1 ZINC000560184112 1075428888 /nfs/dbraw/zinc/42/88/88/1075428888.db2.gz GOVCBVMCEPWSNH-VIFPVBQESA-N 0 0 409.240 2.072 20 0 HDADRN O=C(c1ccnnc1)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000676207791 1075429111 /nfs/dbraw/zinc/42/91/11/1075429111.db2.gz QTGGCHRQPSUCHC-UHFFFAOYSA-N 0 0 401.275 1.930 20 0 HDADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000543663191 1075429164 /nfs/dbraw/zinc/42/91/64/1075429164.db2.gz NGGKXYTYKJVEHO-WBVHZDCISA-N 0 0 410.478 1.802 20 0 HDADRN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000731648739 1075429400 /nfs/dbraw/zinc/42/94/00/1075429400.db2.gz HCRHCJTZAVNROH-UHFFFAOYSA-N 0 0 406.508 1.125 20 0 HDADRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)Nc2ccn([C@H](C)COC)n2)cc1 ZINC000555316073 1075430594 /nfs/dbraw/zinc/43/05/94/1075430594.db2.gz TWIHKJGFBFEAJM-ZIAGYGMSSA-N 0 0 401.467 2.196 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000446804076 1075430955 /nfs/dbraw/zinc/43/09/55/1075430955.db2.gz 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Nc1noc(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)n1 ZINC000539210424 1075752824 /nfs/dbraw/zinc/75/28/24/1075752824.db2.gz JHHMBSYPIIAEJE-UHFFFAOYSA-N 0 0 402.798 1.790 20 0 HDADRN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448509265 1075753270 /nfs/dbraw/zinc/75/32/70/1075753270.db2.gz BQPZXYZCTSYTKL-LLVKDONJSA-N 0 0 412.368 2.250 20 0 HDADRN CC(C)(C)Cc1cc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)n[nH]1 ZINC000573256867 1075753925 /nfs/dbraw/zinc/75/39/25/1075753925.db2.gz FQDYHAANNFDEBC-UHFFFAOYSA-N 0 0 423.420 2.318 20 0 HDADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 ZINC000467862759 1075754299 /nfs/dbraw/zinc/75/42/99/1075754299.db2.gz IPWJIJBIURVPBV-ZDUSSCGKSA-N 0 0 420.564 1.838 20 0 HDADRN Cc1csc([C@@H](C)CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1 ZINC000543590921 1075754612 /nfs/dbraw/zinc/75/46/12/1075754612.db2.gz ZPBBZKOSYJOTBC-NSHDSACASA-N 0 0 415.475 1.362 20 0 HDADRN CC(C)(C)N1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1=O ZINC000491485152 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Cc1noc([C@H](C)NC(=O)COc2ccc(C(=O)N[C@@H](C)c3nc(C)no3)cc2)n1 ZINC000509124091 1073599056 /nfs/dbraw/zinc/59/90/56/1073599056.db2.gz NYMIQZMNVFKQDG-QWRGUYRKSA-N 0 0 414.422 1.817 20 0 HDADRN COCCc1noc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1 ZINC000509123742 1073599965 /nfs/dbraw/zinc/59/99/65/1073599965.db2.gz LMYHOKDNNWDFIM-SECBINFHSA-N 0 0 405.835 1.993 20 0 HDADRN CNC(=O)CCOC1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 ZINC000429109435 1073600705 /nfs/dbraw/zinc/60/07/05/1073600705.db2.gz LCHVBBODPIZRSE-HOTGVXAUSA-N 0 0 419.526 1.844 20 0 HDADRN COC(=O)C[C@](C)(NCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccn1 ZINC000509123079 1073601887 /nfs/dbraw/zinc/60/18/87/1073601887.db2.gz FWNMQLLQQNHAAQ-QFIPXVFZSA-N 0 0 416.522 1.311 20 0 HDADRN COc1ccc2c(C)c(CCC(=O)N3CCN(C(=O)[C@@H](C)O)CC3)c(=O)oc2c1 ZINC000766016056 1073603866 /nfs/dbraw/zinc/60/38/66/1073603866.db2.gz MQLUZKFNKHBOKQ-CQSZACIVSA-N 0 0 402.447 1.094 20 0 HDADRN Cc1nnc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)s1 ZINC000509123718 1073609437 /nfs/dbraw/zinc/60/94/37/1073609437.db2.gz LMTKQQIGKKOCSN-LBPRGKRZSA-N 0 0 416.912 1.672 20 0 HDADRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1=O ZINC000509124916 1073612578 /nfs/dbraw/zinc/61/25/78/1073612578.db2.gz NVBBRJFIUAUNKH-CIVOKZAASA-N 0 0 404.898 1.920 20 0 HDADRN CCCN(CC(N)=O)CC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 ZINC000429111966 1073612902 /nfs/dbraw/zinc/61/29/02/1073612902.db2.gz AKXBXKOMPHQKQH-UHFFFAOYSA-N 0 0 424.567 1.776 20 0 HDADRN COC(=O)[C@H](CC(C)C)N(C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000429112376 1073614949 /nfs/dbraw/zinc/61/49/49/1073614949.db2.gz FUVCRPWEEMMPBH-IBGZPJMESA-N 0 0 419.522 1.295 20 0 HDADRN CCOC(=O)[C@@](C)(NC(=O)c1cnc(C2CC2)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC001128522228 1073617085 /nfs/dbraw/zinc/61/70/85/1073617085.db2.gz SSWZJWRVZLGCOF-FQEVSTJZSA-N 0 0 417.487 1.966 20 0 HDADRN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CC(=O)N(c3cccc(S(N)(=O)=O)c3)C1)CC2 ZINC000673662155 1073617324 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/nfs/dbraw/zinc/64/02/57/1073640257.db2.gz DDOBGOKTYPMTJL-GXTWGEPZSA-N 0 0 417.428 1.782 20 0 HDADRN CCn1c(CCC(=O)N[C@H](C)C(C)(C)O)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000673687598 1073641433 /nfs/dbraw/zinc/64/14/33/1073641433.db2.gz QERXPPCLROJYKJ-CYBMUJFWSA-N 0 0 410.540 1.515 20 0 HDADRN COc1ccc(CCC(=O)N2CCCN(C(=O)NCc3ncn(C)n3)CC2)cc1 ZINC000509125591 1073641469 /nfs/dbraw/zinc/64/14/69/1073641469.db2.gz PSMJEGCFSDYDGF-UHFFFAOYSA-N 0 0 400.483 1.200 20 0 HDADRN CN(C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)C1)S(C)(=O)=O ZINC000509125454 1073642882 /nfs/dbraw/zinc/64/28/82/1073642882.db2.gz RJNCBPOUYPMMOF-CQSZACIVSA-N 0 0 416.565 1.692 20 0 HDADRN Cn1c(=O)c2cc(C(=O)NCc3ccc(Br)c(F)c3)cnc2n(C)c1=O ZINC000302944332 1073643898 /nfs/dbraw/zinc/64/38/98/1073643898.db2.gz BVWDVYZPJBAXPD-UHFFFAOYSA-N 0 0 421.226 1.464 20 0 HDADRN CC[C@@H](NC(=O)N1CCN(c2cnn(C)c2)CC1)c1ccccc1OCC(=O)NC ZINC000673704438 1073645665 /nfs/dbraw/zinc/64/56/65/1073645665.db2.gz VWAQBVILXJHQSR-GOSISDBHSA-N 0 0 414.510 1.528 20 0 HDADRN Cn1ccn2c(CCNC(=O)c3ccc(C(=O)NCC(C)(C)C)cc3)nnc2c1=O ZINC001626090543 1073647482 /nfs/dbraw/zinc/64/74/82/1073647482.db2.gz LXIUOVYVEHTGNO-UHFFFAOYSA-N 0 0 410.478 1.176 20 0 HDADRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000015365591 1073647528 /nfs/dbraw/zinc/64/75/28/1073647528.db2.gz JDDSKFLZHUHUKI-LLVKDONJSA-N 0 0 400.478 1.391 20 0 HDADRN Cc1ccccc1[C@H](CC(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21)NC(N)=O ZINC000509125343 1073648053 /nfs/dbraw/zinc/64/80/53/1073648053.db2.gz RCDWHZLPIAOZQY-RDJZCZTQSA-N 0 0 411.462 1.488 20 0 HDADRN Cn1[nH]cc2c(=NC(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)ccnc1-2 ZINC001128531724 1073653601 /nfs/dbraw/zinc/65/36/01/1073653601.db2.gz AAPRKLGVRREOML-AWEZNQCLSA-N 0 0 401.220 1.825 20 0 HDADRN CNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)C2CC2)CC1 ZINC001299285521 1073655120 /nfs/dbraw/zinc/65/51/20/1073655120.db2.gz POZZFAFUBZIZAV-IBGZPJMESA-N 0 0 404.540 1.553 20 0 HDADRN CCOc1cccc(CN2CCO[C@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1 ZINC001108085196 1073656535 /nfs/dbraw/zinc/65/65/35/1073656535.db2.gz UKVBKXAQJYVXFK-UQTLAFAOSA-N 0 0 401.507 1.611 20 0 HDADRN CC1(C)CN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)C[C@@]2(CCCOC2)O1 ZINC000509127724 1073663469 /nfs/dbraw/zinc/66/34/69/1073663469.db2.gz XDHRENTXUCZLBC-XMSQKQJNSA-N 0 0 404.507 1.803 20 0 HDADRN Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000673732637 1073665535 /nfs/dbraw/zinc/66/55/35/1073665535.db2.gz LBTPOYAUYHCZHT-UHFFFAOYSA-N 0 0 401.433 1.897 20 0 HDADRN C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000766026481 1073671195 /nfs/dbraw/zinc/67/11/95/1073671195.db2.gz QFJHKPGFFVFSQW-CRAIPNDOSA-N 0 0 417.506 1.573 20 0 HDADRN CCN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 ZINC000429119431 1073673101 /nfs/dbraw/zinc/67/31/01/1073673101.db2.gz WNZLSSPBCJSXKG-AWEZNQCLSA-N 0 0 412.430 1.561 20 0 HDADRN C[C@H](NC(=O)NCCOc1ccc(I)cc1)c1nncn1C ZINC000509131729 1073673608 /nfs/dbraw/zinc/67/36/08/1073673608.db2.gz KUVBLNQZWAXULS-JTQLQIEISA-N 0 0 415.235 1.859 20 0 HDADRN C[C@@H](NC(=O)NCCOc1ccc(I)cc1)c1nncn1C ZINC000509131730 1073673623 /nfs/dbraw/zinc/67/36/23/1073673623.db2.gz KUVBLNQZWAXULS-SNVBAGLBSA-N 0 0 415.235 1.859 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000429115914 1073675527 /nfs/dbraw/zinc/67/55/27/1073675527.db2.gz PXWGGTNRKCRSJD-AWEZNQCLSA-N 0 0 412.512 1.333 20 0 HDADRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)C1 ZINC000509128687 1073675710 /nfs/dbraw/zinc/67/57/10/1073675710.db2.gz WNFSMVIGTOQSHZ-MRXNPFEDSA-N 0 0 413.584 1.881 20 0 HDADRN C[C@@H](O)C(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000766025598 1073678908 /nfs/dbraw/zinc/67/89/08/1073678908.db2.gz IMEDDNZYWRUBOG-GFCCVEGCSA-N 0 0 418.519 1.260 20 0 HDADRN C[C@@H]1COCCN1CCNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC000429116794 1073680072 /nfs/dbraw/zinc/68/00/72/1073680072.db2.gz SFTMZZDWUQJRLV-MRXNPFEDSA-N 0 0 404.511 1.780 20 0 HDADRN O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000509130268 1073682034 /nfs/dbraw/zinc/68/20/34/1073682034.db2.gz UMCAEXFRFGOVRF-SFHVURJKSA-N 0 0 402.520 1.417 20 0 HDADRN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000673747961 1073684468 /nfs/dbraw/zinc/68/44/68/1073684468.db2.gz BSOUJXIWQYJRTB-LBPRGKRZSA-N 0 0 404.448 1.119 20 0 HDADRN COc1cc(NC(=O)C[S@](=O)Cc2ncnn2C(C)(C)C)cc(OC)c1OC ZINC000509132142 1073684998 /nfs/dbraw/zinc/68/49/98/1073684998.db2.gz NZZSJSYOEBYXSH-MUUNZHRXSA-N 0 0 410.496 1.946 20 0 HDADRN CN(C(=O)c1ccc(NC(=O)NCC(=O)NCc2ccco2)cc1)C1CCOCC1 ZINC000429119726 1073685762 /nfs/dbraw/zinc/68/57/62/1073685762.db2.gz ZDGYVOYPWZTNRZ-UHFFFAOYSA-N 0 0 414.462 1.969 20 0 HDADRN Cc1n[nH]cc1CCCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000509133772 1073686868 /nfs/dbraw/zinc/68/68/68/1073686868.db2.gz ADFVODFGCBBIGL-UHFFFAOYSA-N 0 0 417.894 1.721 20 0 HDADRN CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)c2ccnn2C)cc1OCC ZINC001649120699 1073687460 /nfs/dbraw/zinc/68/74/60/1073687460.db2.gz DRCHOTGYYZBKMW-ZDUSSCGKSA-N 0 0 410.496 1.373 20 0 HDADRN O=C(CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1)Nc1ccon1 ZINC000946690056 1073687473 /nfs/dbraw/zinc/68/74/73/1073687473.db2.gz NXFOGNFSBYDHQS-IBZGSYRLSA-N 0 0 400.479 1.207 20 0 HDADRN O=C(Nc1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1)c1ccc(F)cc1 ZINC000509134571 1073690634 /nfs/dbraw/zinc/69/06/34/1073690634.db2.gz CJLMMJDWPQGJTN-UHFFFAOYSA-N 0 0 410.405 1.892 20 0 HDADRN NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000509134565 1073690690 /nfs/dbraw/zinc/69/06/90/1073690690.db2.gz CIHPIQQXFXWLDE-AWEZNQCLSA-N 0 0 402.336 1.738 20 0 HDADRN CN1C[C@H](CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)Cc2ccccc21 ZINC000429121693 1073691233 /nfs/dbraw/zinc/69/12/33/1073691233.db2.gz HMSGRWYAIMSRQH-UWJYYQICSA-N 0 0 404.580 1.802 20 0 HDADRN CN1C[C@@H](CNC(=O)NC[C@@]2(N3CCOCC3)CCSC2)Cc2ccccc21 ZINC000429121692 1073691309 /nfs/dbraw/zinc/69/13/09/1073691309.db2.gz HMSGRWYAIMSRQH-UTKZUKDTSA-N 0 0 404.580 1.802 20 0 HDADRN CCCn1nnnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1 ZINC000946687998 1073692963 /nfs/dbraw/zinc/69/29/63/1073692963.db2.gz FZLMFEGWIPEVGV-XWEXYQFDSA-N 0 0 400.527 1.177 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000429118663 1073693002 /nfs/dbraw/zinc/69/30/02/1073693002.db2.gz YQLYPDTYOUAEDE-GFCCVEGCSA-N 0 0 420.491 1.927 20 0 HDADRN C[C@H](NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000429120503 1073693543 /nfs/dbraw/zinc/69/35/43/1073693543.db2.gz AKLOZTIMXHPQRS-HNNXBMFYSA-N 0 0 418.494 1.306 20 0 HDADRN CCN(CC)C(=O)c1ccc(NC(=O)C[S@](=O)Cc2ccc(OC)nn2)cc1 ZINC000509132546 1073694910 /nfs/dbraw/zinc/69/49/10/1073694910.db2.gz RFHYVTGZXWLPNS-MUUNZHRXSA-N 0 0 404.492 1.855 20 0 HDADRN CN(C)c1ncc(Br)c(C(=O)NCc2ncnn2-c2ccccc2)n1 ZINC001128536699 1073695303 /nfs/dbraw/zinc/69/53/03/1073695303.db2.gz NKANCLGZMPNWPT-UHFFFAOYSA-N 0 0 402.256 1.816 20 0 HDADRN CCN(C(=O)CN1CCN(Cc2ccccc2)CC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000673759023 1073698820 /nfs/dbraw/zinc/69/88/20/1073698820.db2.gz WKWNKGQOMDUJCB-UYAOXDASSA-N 0 0 407.580 1.618 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000429122902 1073699074 /nfs/dbraw/zinc/69/90/74/1073699074.db2.gz RPESZATWEUFUOP-CYBMUJFWSA-N 0 0 412.512 1.190 20 0 HDADRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)N[C@H](c2nncn2C)C(C)C)CC1 ZINC000509135964 1073699593 /nfs/dbraw/zinc/69/95/93/1073699593.db2.gz FIPNERVIOFZQFH-ZBFHGGJFSA-N 0 0 414.576 1.604 20 0 HDADRN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)N[C@H](c2nncn2C)C(C)C)CC1 ZINC000509135959 1073699728 /nfs/dbraw/zinc/69/97/28/1073699728.db2.gz FIPNERVIOFZQFH-HOCLYGCPSA-N 0 0 414.576 1.604 20 0 HDADRN COc1ccc(C(=O)C2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000509135660 1073700060 /nfs/dbraw/zinc/70/00/60/1073700060.db2.gz HXEXTLYOQNGCEB-QGZVFWFLSA-N 0 0 410.492 1.113 20 0 HDADRN O=S(=O)(c1ccc(NCc2ccc(N3CCOCC3)nc2)nc1)N1CCCC1 ZINC000014306816 1073701671 /nfs/dbraw/zinc/70/16/71/1073701671.db2.gz JJSRHTZPXDLYMZ-UHFFFAOYSA-N 0 0 403.508 1.710 20 0 HDADRN CS(=O)(=O)Nc1ccc(OCCNC(=O)N[C@H]2Cc3cccc(O)c3C2)cc1 ZINC000429125532 1073703293 /nfs/dbraw/zinc/70/32/93/1073703293.db2.gz ZEWBACGMXMJDFX-HNNXBMFYSA-N 0 0 405.476 1.609 20 0 HDADRN CNC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001299286277 1073703318 /nfs/dbraw/zinc/70/33/18/1073703318.db2.gz UNYKCAQMHHJAEK-ZWKOTPCHSA-N 0 0 420.558 1.524 20 0 HDADRN CC[C@H](C)[C@H](NC(=O)CN(Cc1cncs1)C1CCN(C(C)=O)CC1)C(=O)OC ZINC000429126856 1073705767 /nfs/dbraw/zinc/70/57/67/1073705767.db2.gz KWIVDBGAABYWRC-LIRRHRJNSA-N 0 0 424.567 1.660 20 0 HDADRN C[C@]1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CN(Cc2nnc(C3CC3)s2)CCO1 ZINC001108088169 1073707059 /nfs/dbraw/zinc/70/70/59/1073707059.db2.gz VHYVRSJHAAREGZ-LTGMSYCWSA-N 0 0 404.536 1.546 20 0 HDADRN CCNC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000014313209 1073709654 /nfs/dbraw/zinc/70/96/54/1073709654.db2.gz CVNCEQSMJWQVIC-UHFFFAOYSA-N 0 0 405.476 1.704 20 0 HDADRN CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccc(C(N)=O)cc3)c2c1 ZINC000014315316 1073710690 /nfs/dbraw/zinc/71/06/90/1073710690.db2.gz UKDAUETWFQGFDI-UHFFFAOYSA-N 0 0 403.464 1.190 20 0 HDADRN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000673765820 1073710723 /nfs/dbraw/zinc/71/07/23/1073710723.db2.gz VZDYOIYLIKGJCC-LBPRGKRZSA-N 0 0 416.459 1.648 20 0 HDADRN COc1cccc(Oc2ncccc2CNC(=O)C(=O)NCCCNC(C)=O)c1 ZINC000509138533 1073713774 /nfs/dbraw/zinc/71/37/74/1073713774.db2.gz MPPCYOCFMWRIFT-UHFFFAOYSA-N 0 0 400.435 1.141 20 0 HDADRN Cc1ccc(-n2cnc3c2CCN(C(=O)NCCNS(=O)(=O)NC(C)C)C3)cc1 ZINC000429130991 1073715301 /nfs/dbraw/zinc/71/53/01/1073715301.db2.gz IIANUXSGVKFRFR-UHFFFAOYSA-N 0 0 420.539 1.081 20 0 HDADRN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673781630 1073715649 /nfs/dbraw/zinc/71/56/49/1073715649.db2.gz BUUWRBXBBSINJG-CYBMUJFWSA-N 0 0 414.275 1.850 20 0 HDADRN CCOCCOc1cc(C)ccc1CNC(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509143879 1073716158 /nfs/dbraw/zinc/71/61/58/1073716158.db2.gz WVNOYZGNYHMIFS-INIZCTEOSA-N 0 0 400.497 1.023 20 0 HDADRN COc1cccc(Oc2ncccc2CNC(=O)C(=O)NCC2([S@](C)=O)CC2)c1 ZINC000509143820 1073716698 /nfs/dbraw/zinc/71/66/98/1073716698.db2.gz YXLFSJYUSDCKBI-LJAQVGFWSA-N 0 0 417.487 1.526 20 0 HDADRN CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)c1 ZINC000673782664 1073717803 /nfs/dbraw/zinc/71/78/03/1073717803.db2.gz DYHIHIYOHNWVMI-UHFFFAOYSA-N 0 0 412.446 1.049 20 0 HDADRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000673781972 1073720048 /nfs/dbraw/zinc/72/00/48/1073720048.db2.gz HEVIQMFJLXKAQW-GFCCVEGCSA-N 0 0 407.414 1.493 20 0 HDADRN COc1ccc(C)cc1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000673781995 1073720575 /nfs/dbraw/zinc/72/05/75/1073720575.db2.gz HXBNZOFJRJYQKB-UHFFFAOYSA-N 0 0 410.430 1.310 20 0 HDADRN O=C(Nc1cccc(Cl)c1-n1cccn1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673783572 1073721601 /nfs/dbraw/zinc/72/16/01/1073721601.db2.gz FXNGILWOASYWTI-HNNXBMFYSA-N 0 0 417.897 1.787 20 0 HDADRN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000673783281 1073722049 /nfs/dbraw/zinc/72/20/49/1073722049.db2.gz IHQUFASILCWIOR-GOSISDBHSA-N 0 0 406.486 1.777 20 0 HDADRN Cc1cc(C)c(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c(C)c1 ZINC000673783122 1073722663 /nfs/dbraw/zinc/72/26/63/1073722663.db2.gz SKPFKXBJLKYZMC-UHFFFAOYSA-N 0 0 422.485 1.961 20 0 HDADRN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)N1CCOc2ccccc2C1 ZINC000673782799 1073723235 /nfs/dbraw/zinc/72/32/35/1073723235.db2.gz RIUMVUYYUHLBST-UHFFFAOYSA-N 0 0 408.414 1.098 20 0 HDADRN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673784528 1073723688 /nfs/dbraw/zinc/72/36/88/1073723688.db2.gz ZYXRPBSLWWGULV-SFHVURJKSA-N 0 0 424.505 1.611 20 0 HDADRN CC[C@@]1(O)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000429131614 1073723825 /nfs/dbraw/zinc/72/38/25/1073723825.db2.gz UHTJIBDZQFUVBK-QGZVFWFLSA-N 0 0 401.460 1.225 20 0 HDADRN O=C(CCCNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)Nc1ccc(Cl)cc1 ZINC000509144291 1073723832 /nfs/dbraw/zinc/72/38/32/1073723832.db2.gz XSJDCVZVMZWBNN-CQSZACIVSA-N 0 0 403.888 1.172 20 0 HDADRN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)N1CCCc2sccc2C1 ZINC000673784411 1073724119 /nfs/dbraw/zinc/72/41/19/1073724119.db2.gz SATNPHWTQSSCEM-UHFFFAOYSA-N 0 0 412.471 1.713 20 0 HDADRN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)N1CCCc2sccc2C1 ZINC000673784436 1073724302 /nfs/dbraw/zinc/72/43/02/1073724302.db2.gz SVKPQFQWNCBYIC-UHFFFAOYSA-N 0 0 412.471 1.713 20 0 HDADRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673784395 1073724407 /nfs/dbraw/zinc/72/44/07/1073724407.db2.gz JSDPZVQOMSKRKW-SFHVURJKSA-N 0 0 414.506 1.149 20 0 HDADRN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000673784152 1073725526 /nfs/dbraw/zinc/72/55/26/1073725526.db2.gz WZRHXPVXGOCEAA-CQSZACIVSA-N 0 0 410.449 1.693 20 0 HDADRN CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 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413.384 1.813 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000509194141 1074028196 /nfs/dbraw/zinc/02/81/96/1074028196.db2.gz FCIIQLNZIUDZOZ-HZPDHXFCSA-N 0 0 416.565 1.764 20 0 HDADRN CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000543533391 1074029720 /nfs/dbraw/zinc/02/97/20/1074029720.db2.gz UKKZZEBOEIODRX-OAHLLOKOSA-N 0 0 400.483 1.301 20 0 HDADRN COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C1)CC2 ZINC000466584394 1074030589 /nfs/dbraw/zinc/03/05/89/1074030589.db2.gz KJCMMAVYXNTGAG-ZJPYXAASSA-N 0 0 424.505 1.196 20 0 HDADRN CN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543533017 1074031292 /nfs/dbraw/zinc/03/12/92/1074031292.db2.gz QVFWVEIQSMDMGK-UHFFFAOYSA-N 0 0 405.451 1.745 20 0 HDADRN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O)c1ccsc1 ZINC000543532769 1074031435 /nfs/dbraw/zinc/03/14/35/1074031435.db2.gz BRGYWNUIBSCZHG-KRWDZBQOSA-N 0 0 415.519 1.631 20 0 HDADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC(C)(C)S(C)(=O)=O)c(OC)c1 ZINC000673998176 1074031854 /nfs/dbraw/zinc/03/18/54/1074031854.db2.gz QYWAJATUYSBEPW-HNNXBMFYSA-N 0 0 412.508 1.248 20 0 HDADRN CC(C)(CNC(=O)CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O ZINC000673999168 1074034383 /nfs/dbraw/zinc/03/43/83/1074034383.db2.gz FQDPWTXMEMYZSC-UHFFFAOYSA-N 0 0 405.314 1.508 20 0 HDADRN CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)S(C)(=O)=O ZINC000673999957 1074035399 /nfs/dbraw/zinc/03/53/99/1074035399.db2.gz ZHMJEWPYMNJSBQ-UHFFFAOYSA-N 0 0 402.538 1.027 20 0 HDADRN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000543535157 1074036084 /nfs/dbraw/zinc/03/60/84/1074036084.db2.gz SXIFCLYTFPBMLO-AWEZNQCLSA-N 0 0 423.477 1.637 20 0 HDADRN CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000766048066 1074037169 /nfs/dbraw/zinc/03/71/69/1074037169.db2.gz DUOJWRKMOLSQIP-UHFFFAOYSA-N 0 0 411.549 1.265 20 0 HDADRN CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 ZINC000429193297 1074037639 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C[C@@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCN1CCO ZINC000429192226 1074041559 /nfs/dbraw/zinc/04/15/59/1074041559.db2.gz GRAXJUNPYCPGAN-MRXNPFEDSA-N 0 0 410.478 1.075 20 0 HDADRN NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1 ZINC000429192062 1074041804 /nfs/dbraw/zinc/04/18/04/1074041804.db2.gz QNHAPUGBGOVHOA-YRISNDGFSA-N 0 0 406.502 1.989 20 0 HDADRN CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000429194342 1074043031 /nfs/dbraw/zinc/04/30/31/1074043031.db2.gz PNFMQXQLHOXZFD-GXTWGEPZSA-N 0 0 409.430 1.534 20 0 HDADRN COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCN(c3ccc(Cl)cc3)C1=O)CC2 ZINC000466589768 1074044266 /nfs/dbraw/zinc/04/42/66/1074044266.db2.gz MTLITFLHUOOMRY-ZFWWWQNUSA-N 0 0 418.885 1.497 20 0 HDADRN COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1nc(-c3cccc(F)c3)no1)CC2 ZINC000466589340 1074045055 /nfs/dbraw/zinc/04/50/55/1074045055.db2.gz WGMXGZONSDTPJC-SMDDNHRTSA-N 0 0 415.429 1.989 20 0 HDADRN CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2OCO3)Cc2ccccc21 ZINC000509195776 1074045490 /nfs/dbraw/zinc/04/54/90/1074045490.db2.gz KPXTXCIRBAZOKN-UHFFFAOYSA-N 0 0 410.473 1.386 20 0 HDADRN CCN1CCN(C(=O)CC2CCN(C(=O)NCc3c(C)nn(C)c3C)CC2)CC1 ZINC000466590149 1074045758 /nfs/dbraw/zinc/04/57/58/1074045758.db2.gz YTMRPTSZRKNQEA-UHFFFAOYSA-N 0 0 404.559 1.513 20 0 HDADRN CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cn1 ZINC000466590912 1074046131 /nfs/dbraw/zinc/04/61/31/1074046131.db2.gz XAHDKCVAQUIGDE-IKGGRYGDSA-N 0 0 414.487 1.764 20 0 HDADRN CCOc1cc(NC2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)ncn1 ZINC000466590189 1074047117 /nfs/dbraw/zinc/04/71/17/1074047117.db2.gz UBTBASXUFAEXTO-UHFFFAOYSA-N 0 0 420.491 1.927 20 0 HDADRN CC[C@@H]1C[C@@H](C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC(=O)N1 ZINC000543537605 1074047774 /nfs/dbraw/zinc/04/77/74/1074047774.db2.gz CDAGZDKSLAVQFS-UKRRQHHQSA-N 0 0 411.499 1.400 20 0 HDADRN Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000466594380 1074048709 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Nc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(C(F)F)c3Cl)CC2)n1 ZINC000544496764 1075766759 /nfs/dbraw/zinc/76/67/59/1075766759.db2.gz LYKACBCOTKYRQO-UHFFFAOYSA-N 0 0 416.841 1.999 20 0 HDADRN CSC[C@H]1CCCN(CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C1 ZINC000429270751 1075767275 /nfs/dbraw/zinc/76/72/75/1075767275.db2.gz FZDHGGIFKXNACE-GJZGRUSLSA-N 0 0 400.570 1.565 20 0 HDADRN Cc1ncc(-c2noc(CN3C(=O)c4ccccc4N4C(=O)CC[C@@]43C)n2)c(N)n1 ZINC000572204134 1075767451 /nfs/dbraw/zinc/76/74/51/1075767451.db2.gz DSTRLUIWLZYMEW-HXUWFJFHSA-N 0 0 405.418 1.916 20 0 HDADRN Nc1nsc(N2CCN(C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000485002726 1075768050 /nfs/dbraw/zinc/76/80/50/1075768050.db2.gz HNPUOFXXOQMLHQ-UHFFFAOYSA-N 0 0 424.914 1.967 20 0 HDADRN Nc1nsc(N2CCN(C(=O)NCCc3csc(N4CCCC4)n3)CC2)n1 ZINC000494534777 1075768061 /nfs/dbraw/zinc/76/80/61/1075768061.db2.gz VQVOZDXKFCUUSY-UHFFFAOYSA-N 0 0 408.557 1.251 20 0 HDADRN Nc1nsc(N2CCN(C(=O)NCc3ccc(O)c(Br)c3)CC2)n1 ZINC000426834810 1075768211 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1073561077 /nfs/dbraw/zinc/56/10/77/1073561077.db2.gz QNPWVRKQFLOXJF-OUWVOHMFSA-N 0 0 414.506 1.651 20 0 HDADRN CC(C)(C)n1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2OC[C@@H]4CCC[C@@H]42)C3)nn1 ZINC001004709969 1073561188 /nfs/dbraw/zinc/56/11/88/1073561188.db2.gz STRIVZXZWRKGBO-FCEQMAOESA-N 0 0 401.511 1.710 20 0 HDADRN CN1C(=O)C[C@@H](NC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000509112984 1073562142 /nfs/dbraw/zinc/56/21/42/1073562142.db2.gz RXWOYDZSRZQDFH-AEFFLSMTSA-N 0 0 414.897 1.934 20 0 HDADRN Cc1nc(CN2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)oc1C ZINC000509112599 1073563349 /nfs/dbraw/zinc/56/33/49/1073563349.db2.gz JRKUBQQQEARHCM-IBGZPJMESA-N 0 0 414.506 1.566 20 0 HDADRN CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1C ZINC000509112556 1073563371 /nfs/dbraw/zinc/56/33/71/1073563371.db2.gz RDYQMDVCBOIXCT-OAHLLOKOSA-N 0 0 417.553 1.246 20 0 HDADRN O=C(NC[C@H]1CS(=O)(=O)CCO1)NCC1(c2ccccc2Cl)CCOCC1 ZINC000509112217 1073563450 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CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000015328683 1073598850 /nfs/dbraw/zinc/59/88/50/1073598850.db2.gz BGLYPTKLWNQPQY-INIZCTEOSA-N 0 0 414.549 1.574 20 0 HDADRN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000015328763 1073599541 /nfs/dbraw/zinc/59/95/41/1073599541.db2.gz YKTZOYPYXOBCKW-UHFFFAOYSA-N 0 0 404.897 1.687 20 0 HDADRN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N[C@H](CCCO)c2ccccc2)s1 ZINC000509121145 1073600051 /nfs/dbraw/zinc/60/00/51/1073600051.db2.gz GJNHWXWEQBFZJE-OAHLLOKOSA-N 0 0 410.517 1.398 20 0 HDADRN CNS(=O)(=O)Cc1ccc(CNC(=O)CSc2nnnn2C2CCCC2)cc1 ZINC000028144761 1073601095 /nfs/dbraw/zinc/60/10/95/1073601095.db2.gz LFWFFLUCVCVPEH-UHFFFAOYSA-N 0 0 424.552 1.246 20 0 HDADRN O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CC(Oc2ccncc2)C1 ZINC000673658021 1073601868 /nfs/dbraw/zinc/60/18/68/1073601868.db2.gz KXGNOWKRHYPFMU-IBGZPJMESA-N 0 0 421.457 1.221 20 0 HDADRN C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)c(Cl)cc1Cl ZINC000015330314 1073603058 /nfs/dbraw/zinc/60/30/58/1073603058.db2.gz DLBZEWJIPFBHHK-SSDOTTSWSA-N 0 0 410.254 1.569 20 0 HDADRN C[C@H](O)C(=O)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000766016079 1073604464 /nfs/dbraw/zinc/60/44/64/1073604464.db2.gz NLYKTWOSFAUYKP-DOTOQJQBSA-N 0 0 405.495 1.694 20 0 HDADRN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)C1 ZINC000429110662 1073607471 /nfs/dbraw/zinc/60/74/71/1073607471.db2.gz CCYRLHILWTVZDL-GOEBONIOSA-N 0 0 420.510 1.792 20 0 HDADRN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCC[C@H](n3ccnc3)C2)CCCC1 ZINC000673659558 1073609446 /nfs/dbraw/zinc/60/94/46/1073609446.db2.gz VTKMLCKQYSMVMD-INIZCTEOSA-N 0 0 421.523 1.943 20 0 HDADRN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001128520860 1073609546 /nfs/dbraw/zinc/60/95/46/1073609546.db2.gz HZCKCTVRGMINPJ-XHVZSJERSA-N 0 0 406.240 1.435 20 0 HDADRN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000028239891 1073611339 /nfs/dbraw/zinc/61/13/39/1073611339.db2.gz ULEBXGYRLGATLO-SFHVURJKSA-N 0 0 405.495 1.436 20 0 HDADRN Cc1nnc(CN(C)CC(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)n1C ZINC000509124735 1073611362 /nfs/dbraw/zinc/61/13/62/1073611362.db2.gz JGOYQSYULHWWSC-UHFFFAOYSA-N 0 0 412.538 1.204 20 0 HDADRN CC(=O)Nc1cc(S(=O)(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)ccc1F ZINC000509125041 1073614025 /nfs/dbraw/zinc/61/40/25/1073614025.db2.gz QLJNSNCKXXHEOK-CYBMUJFWSA-N 0 0 421.516 1.076 20 0 HDADRN CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)CN(C)Cc2nnc(C)n2C)CC1 ZINC000673665296 1073618802 /nfs/dbraw/zinc/61/88/02/1073618802.db2.gz FNOZSOBHDHAQHE-LJQANCHMSA-N 0 0 404.559 1.585 20 0 HDADRN O=C(Nc1ccc2nccn2c1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673668237 1073620951 /nfs/dbraw/zinc/62/09/51/1073620951.db2.gz JIFBAIBJUPUXFR-KRWDZBQOSA-N 0 0 404.430 1.823 20 0 HDADRN CNS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)ccc1C ZINC000028320707 1073620980 /nfs/dbraw/zinc/62/09/80/1073620980.db2.gz IWBVATUBKRYTBD-UHFFFAOYSA-N 0 0 405.432 1.000 20 0 HDADRN 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O=C(Nc1ccc2c(c1)NC(=O)CS2)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000732897511 1075899620 /nfs/dbraw/zinc/89/96/20/1075899620.db2.gz XZNREKIPAQPWQJ-CQSZACIVSA-N 0 0 416.503 1.673 20 0 HDADRN COC(=O)c1cc(NC(=O)NCCc2nnnn2C)c(Br)cc1F ZINC000611319927 1075899787 /nfs/dbraw/zinc/89/97/87/1075899787.db2.gz VLIVCHHBUWVMKD-UHFFFAOYSA-N 0 0 401.196 1.263 20 0 HDADRN COCCOCc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000732897325 1075899955 /nfs/dbraw/zinc/89/99/55/1075899955.db2.gz UUWNFPKDHLJHEC-IBGZPJMESA-N 0 0 417.506 1.792 20 0 HDADRN COCCOc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1F ZINC000732897173 1075900021 /nfs/dbraw/zinc/90/00/21/1075900021.db2.gz YMQGYQYJXLSCNF-INIZCTEOSA-N 0 0 421.469 1.793 20 0 HDADRN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC000611321037 1075900079 /nfs/dbraw/zinc/90/00/79/1075900079.db2.gz CEGVDMUBXYLDKK-CQSZACIVSA-N 0 0 421.523 1.477 20 0 HDADRN COC(=O)C(C)(C)[C@@H]1CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000611321970 1075900434 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CCc1cc(N2CCC[C@@H](NC(=O)CN3c4ccccc4OCCC3=O)C2)ncn1 ZINC000732914933 1075912508 /nfs/dbraw/zinc/91/25/08/1075912508.db2.gz AOZKTCHHKSSTCY-QGZVFWFLSA-N 0 0 409.490 1.940 20 0 HDADRN O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccnc(Cl)c1 ZINC000732916459 1075912846 /nfs/dbraw/zinc/91/28/46/1075912846.db2.gz RQAYKSHRJAXTSG-OAHLLOKOSA-N 0 0 402.886 1.760 20 0 HDADRN CCc1cc(N2CCC[C@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)ncn1 ZINC000732916442 1075912894 /nfs/dbraw/zinc/91/28/94/1075912894.db2.gz RDCHCXHTCXSSBE-AWEZNQCLSA-N 0 0 407.471 1.224 20 0 HDADRN C[C@@H](Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000732917258 1075913645 /nfs/dbraw/zinc/91/36/45/1075913645.db2.gz KNLGGSLBRKEWGY-MRXNPFEDSA-N 0 0 410.478 1.578 20 0 HDADRN CCC1(O)CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 ZINC000611368169 1075914370 /nfs/dbraw/zinc/91/43/70/1075914370.db2.gz XMGQUXLLALZDBQ-UHFFFAOYSA-N 0 0 406.435 1.398 20 0 HDADRN CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000732898134 1075915304 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416.551 1.710 20 0 HDADRN CN(C)C(=O)Cn1ccc(NC(=O)NCc2cc(Cl)ccc2OC(F)F)n1 ZINC000466773728 1075702637 /nfs/dbraw/zinc/70/26/37/1075702637.db2.gz FNJTUGWMVGSDDH-UHFFFAOYSA-N 0 0 401.801 2.548 20 0 HDADRN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2Cc2nc(N)nc(Nc3ccccc3C)n2)O1 ZINC000619784992 1075702638 /nfs/dbraw/zinc/70/26/38/1075702638.db2.gz ODGVYQZUEYORRA-SVGFKBNWSA-N 0 0 412.494 1.611 20 0 HDADRN COc1cc2nc(NC[C@H](O)COc3ccc(F)c(F)c3)nc(N)c2cc1OC ZINC000521932408 1075702641 /nfs/dbraw/zinc/70/26/41/1075702641.db2.gz NIQGZWWPOYKLMI-JTQLQIEISA-N 0 0 406.389 1.781 20 0 HDADRN O=C(NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)N[C@@H]1CCCC[C@H]1CO ZINC000509251469 1075702928 /nfs/dbraw/zinc/70/29/28/1075702928.db2.gz OFDAROUFUWQSMZ-SOUVJXGZSA-N 0 0 401.554 1.609 20 0 HDADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCc3nnc(N)o3)cc2)C1 ZINC000578458854 1075703131 /nfs/dbraw/zinc/70/31/31/1075703131.db2.gz LSMNQPOMWPHZCF-CHWSQXEVSA-N 0 0 407.496 1.291 20 0 HDADRN 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424.299 1.763 20 0 HDADRN C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000436893336 1075704282 /nfs/dbraw/zinc/70/42/82/1075704282.db2.gz NCQARRLJMLSZCW-CQSZACIVSA-N 0 0 401.536 2.507 20 0 HDADRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)O[C@@H]3CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000732326582 1075704431 /nfs/dbraw/zinc/70/44/31/1075704431.db2.gz BXROYFGGTJYSBW-IEBWSBKVSA-N 0 0 410.474 1.929 20 0 HDADRN CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1cc(C(N)=O)co1 ZINC000429258137 1075704688 /nfs/dbraw/zinc/70/46/88/1075704688.db2.gz GFUHYEPZVIPFIE-UHFFFAOYSA-N 0 0 409.468 1.017 20 0 HDADRN C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C[C@H](C)O1 ZINC000568757468 1075704999 /nfs/dbraw/zinc/70/49/99/1075704999.db2.gz CQBPKWWXAKMGBU-OKILXGFUSA-N 0 0 421.448 2.335 20 0 HDADRN C[C@H](N[C@@H](C)c1ccon1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543585070 1075705346 /nfs/dbraw/zinc/70/53/46/1075705346.db2.gz GJLYJMXOJKHKEW-KBPBESRZSA-N 0 0 408.480 1.373 20 0 HDADRN Cn1cc(N2CC[C@@H](OC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)C2=O)cn1 ZINC000732330941 1075705356 /nfs/dbraw/zinc/70/53/56/1075705356.db2.gz UTACHBLGPMJMRL-MEDUHNTESA-N 0 0 404.373 1.400 20 0 HDADRN Cc1ncc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(N)n1 ZINC000552184037 1075705613 /nfs/dbraw/zinc/70/56/13/1075705613.db2.gz XMNMUNKPBUDZJG-UHFFFAOYSA-N 0 0 401.448 1.369 20 0 HDADRN Cn1cc(N2CC[C@@H](OC(=O)CCCOc3ccc(S(C)(=O)=O)cc3)C2=O)cn1 ZINC000732331943 1075705702 /nfs/dbraw/zinc/70/57/02/1075705702.db2.gz PONPAHMYQDODBA-QGZVFWFLSA-N 0 0 421.475 1.331 20 0 HDADRN Cc1ncc(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(N)n1 ZINC000556842039 1075705834 /nfs/dbraw/zinc/70/58/34/1075705834.db2.gz LOYRXBHZRSQWPQ-UHFFFAOYSA-N 0 0 411.487 2.122 20 0 HDADRN C[C@H]1C[C@H](c2cccnc2)N(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000543585570 1075706414 /nfs/dbraw/zinc/70/64/14/1075706414.db2.gz JRCGUYXLDCBHNM-KBXCAEBGSA-N 0 0 421.457 1.682 20 0 HDADRN Cn1ccnc(NC[C@H]2CN(c3ncnc4sc5ccccc5c43)CCO2)c1=O ZINC000440649126 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412.479 1.452 20 0 HDADRN O=C(Nc1cc(F)cc(N2CCOCC2)c1)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000674198341 1074215336 /nfs/dbraw/zinc/21/53/36/1074215336.db2.gz RCODXPFHVQNXCK-CQSZACIVSA-N 0 0 401.442 1.730 20 0 HDADRN CC[C@H](NC(=O)C(=O)Nc1ccccc1-n1cncn1)c1nnc2n1CCCCC2 ZINC000674199956 1074215670 /nfs/dbraw/zinc/21/56/70/1074215670.db2.gz ASFGMPFRQNIICE-AWEZNQCLSA-N 0 0 408.466 1.791 20 0 HDADRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NC[C@H](C)c2ccncc2)CC1 ZINC000674183965 1074216644 /nfs/dbraw/zinc/21/66/44/1074216644.db2.gz DUHRARXRBPXMBK-AWEZNQCLSA-N 0 0 421.523 1.896 20 0 HDADRN CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)C1 ZINC000674182632 1074216681 /nfs/dbraw/zinc/21/66/81/1074216681.db2.gz PAWGSIZOYOXUDR-XHSDSOJGSA-N 0 0 402.561 1.135 20 0 HDADRN O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000674202976 1074217520 /nfs/dbraw/zinc/21/75/20/1074217520.db2.gz IDCPYQAIAYCTJX-OAHLLOKOSA-N 0 0 424.440 1.678 20 0 HDADRN O=C(Cn1ncnn1)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC001128663933 1074217534 /nfs/dbraw/zinc/21/75/34/1074217534.db2.gz KEHLPPVRSPPJFQ-UHFFFAOYSA-N 0 0 418.255 1.892 20 0 HDADRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)c1 ZINC000674203170 1074218557 /nfs/dbraw/zinc/21/85/57/1074218557.db2.gz JCUVGSQWEJZHFI-GFCCVEGCSA-N 0 0 410.883 1.742 20 0 HDADRN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000674203819 1074218913 /nfs/dbraw/zinc/21/89/13/1074218913.db2.gz SFKJKYQPKMGGGQ-MRXNPFEDSA-N 0 0 420.491 1.105 20 0 HDADRN Cc1nn(C)c2ncc(NC(=O)C(=O)N[C@H](CO)Cc3c[nH]c4ccccc34)cc12 ZINC000674204882 1074219446 /nfs/dbraw/zinc/21/94/46/1074219446.db2.gz USCBLILQHSCLSC-HNNXBMFYSA-N 0 0 406.446 1.416 20 0 HDADRN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C(=O)N1CCC[C@H](CCO)C1 ZINC000674205795 1074220444 /nfs/dbraw/zinc/22/04/44/1074220444.db2.gz KKNHHENVZOTNOQ-GFCCVEGCSA-N 0 0 418.885 1.753 20 0 HDADRN O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C(=O)N1CCC[C@H](CCO)C1 ZINC000674205586 1074220769 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COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000674219006 1074230355 /nfs/dbraw/zinc/23/03/55/1074230355.db2.gz MBJURQGEWYISKU-OAHLLOKOSA-N 0 0 404.492 1.158 20 0 HDADRN COCCn1ncc2ccc(NC(=O)C(=O)N3CCC(N(C)C(C)=O)CC3)cc21 ZINC000674200511 1074231218 /nfs/dbraw/zinc/23/12/18/1074231218.db2.gz XKRLTGBFJIZYQO-UHFFFAOYSA-N 0 0 401.467 1.091 20 0 HDADRN CC[C@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2)c1nnc2n1CCCCC2 ZINC000674200844 1074231298 /nfs/dbraw/zinc/23/12/98/1074231298.db2.gz RJJAOUTZWJBKSU-ZDUSSCGKSA-N 0 0 412.450 1.541 20 0 HDADRN CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C)nn3)cc2)CC1 ZINC000674222567 1074232439 /nfs/dbraw/zinc/23/24/39/1074232439.db2.gz UOSRYQKZVBQDBF-QGZVFWFLSA-N 0 0 413.478 1.431 20 0 HDADRN C[C@@H](N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1)C(F)(F)F ZINC000674227183 1074234316 /nfs/dbraw/zinc/23/43/16/1074234316.db2.gz VWENVUOTUMRLAH-SNVBAGLBSA-N 0 0 400.357 1.051 20 0 HDADRN C[C@@H](Oc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000674229843 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CCOC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000509220377 1074242921 /nfs/dbraw/zinc/24/29/21/1074242921.db2.gz QCJUQTYWTOPYNU-KBPBESRZSA-N 0 0 420.553 1.583 20 0 HDADRN COCCn1cc(C(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)nn1 ZINC001128677105 1074242934 /nfs/dbraw/zinc/24/29/34/1074242934.db2.gz DAOPOHSXANRHOK-UHFFFAOYSA-N 0 0 409.446 1.383 20 0 HDADRN CNC(=O)c1ccc(CN(C)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000674261513 1074244080 /nfs/dbraw/zinc/24/40/80/1074244080.db2.gz ARIYVPVYPWQHCK-GOSISDBHSA-N 0 0 411.458 1.827 20 0 HDADRN CCN(CC)C(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000140849268 1074244133 /nfs/dbraw/zinc/24/41/33/1074244133.db2.gz VKZFWUPQGKIXBB-IYBDPMFKSA-N 0 0 409.552 1.951 20 0 HDADRN Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000140142201 1074245013 /nfs/dbraw/zinc/24/50/13/1074245013.db2.gz RBDPXWSVWSANEL-MSOLQXFVSA-N 0 0 424.567 1.779 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000509221344 1074247559 /nfs/dbraw/zinc/24/75/59/1074247559.db2.gz ZEEKUMWFCZLEGM-QAPCUYQASA-N 0 0 418.581 1.889 20 0 HDADRN CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc2nnc(C3CC3)n2n1 ZINC000674263047 1074248096 /nfs/dbraw/zinc/24/80/96/1074248096.db2.gz QXUKHKKYTFMTPE-UHFFFAOYSA-N 0 0 402.480 1.227 20 0 HDADRN CCOCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cnccc2SC)CC1 ZINC000674268105 1074248432 /nfs/dbraw/zinc/24/84/32/1074248432.db2.gz LAJFNZHFOMRTBG-UHFFFAOYSA-N 0 0 408.524 1.523 20 0 HDADRN CC[C@@H](NC(=O)C(=O)Nc1cnccc1SC)c1cccc(S(N)(=O)=O)c1 ZINC000674269099 1074248784 /nfs/dbraw/zinc/24/87/84/1074248784.db2.gz ADJAZUCNTKEKDZ-CYBMUJFWSA-N 0 0 408.505 1.657 20 0 HDADRN COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c(OC)n1 ZINC000674271167 1074250599 /nfs/dbraw/zinc/25/05/99/1074250599.db2.gz MKYGJTAMJHFXTQ-CQSZACIVSA-N 0 0 418.837 1.612 20 0 HDADRN CC(C)n1ncc2cc(NC(=O)C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)ccc21 ZINC000674271519 1074251754 /nfs/dbraw/zinc/25/17/54/1074251754.db2.gz QSTGPNTUQZPWGV-UHFFFAOYSA-N 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HDADRN O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001128963286 1074767765 /nfs/dbraw/zinc/76/77/65/1074767765.db2.gz LQPNWFNCKKAHQC-SFHVURJKSA-N 0 0 412.895 1.493 20 0 HDADRN CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCNc3cnccn3)s2)CC1 ZINC000521237325 1074768001 /nfs/dbraw/zinc/76/80/01/1074768001.db2.gz SEPVTMOJTBBMGM-UHFFFAOYSA-N 0 0 409.537 1.801 20 0 HDADRN Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000675236501 1074768215 /nfs/dbraw/zinc/76/82/15/1074768215.db2.gz FCYDJHXWMPCHML-GOSISDBHSA-N 0 0 424.548 1.794 20 0 HDADRN NC(=O)c1ccccc1N1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 ZINC000675235515 1074768243 /nfs/dbraw/zinc/76/82/43/1074768243.db2.gz SQNHTZIXKLEKLU-AWEZNQCLSA-N 0 0 412.471 1.184 20 0 HDADRN NC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)ccc1Cl ZINC000466666396 1074768190 /nfs/dbraw/zinc/76/81/90/1074768190.db2.gz MCOJERVDGKKMQR-NSHDSACASA-N 0 0 422.272 1.821 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)nn1-c1cc(C)cc(C)c1 ZINC000537437994 1074768266 /nfs/dbraw/zinc/76/82/66/1074768266.db2.gz JKUZGWLVJMPLAI-QGPMSJSTSA-N 0 0 409.490 1.862 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000675236376 1074768650 /nfs/dbraw/zinc/76/86/50/1074768650.db2.gz AVNOBRBUDFAGCQ-SFHVURJKSA-N 0 0 424.548 1.695 20 0 HDADRN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000509319265 1074768898 /nfs/dbraw/zinc/76/88/98/1074768898.db2.gz AHXUYSNHMZJYOT-UHFFFAOYSA-N 0 0 408.505 1.655 20 0 HDADRN O=C(CNC(=O)c1ccncc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000766100623 1074768887 /nfs/dbraw/zinc/76/88/87/1074768887.db2.gz IXIYKVHQQDDJTA-UHFFFAOYSA-N 0 0 414.334 1.856 20 0 HDADRN CC(C)[C@H](OC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)C(=O)NC(N)=O ZINC000785482223 1074770451 /nfs/dbraw/zinc/77/04/51/1074770451.db2.gz VBSRBWSMFUAUFR-WTANOLMUSA-N 0 0 423.466 1.479 20 0 HDADRN COC(=O)[C@@H](NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(OC)cc1 ZINC000552481519 1074770495 /nfs/dbraw/zinc/77/04/95/1074770495.db2.gz HHKFEVOFCSLNOJ-SJCJKPOMSA-N 0 0 421.475 2.082 20 0 HDADRN CN(CC(=O)N1CCc2c(F)cc(Br)cc2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000675248097 1074770825 /nfs/dbraw/zinc/77/08/25/1074770825.db2.gz XPJTWZHSPVENPR-CYBMUJFWSA-N 0 0 419.316 1.592 20 0 HDADRN COc1ccccc1OCCN(C)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000501857865 1074771525 /nfs/dbraw/zinc/77/15/25/1074771525.db2.gz SNBUJLXWAORNOG-UHFFFAOYSA-N 0 0 404.488 1.860 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)nn1C1CCCCC1 ZINC000563843425 1074771691 /nfs/dbraw/zinc/77/16/91/1074771691.db2.gz VNDVBNAFDDGXBA-MRXNPFEDSA-N 0 0 404.511 2.480 20 0 HDADRN COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)C(=O)Nc2cc(C)on2)c1 ZINC000609570735 1074772746 /nfs/dbraw/zinc/77/27/46/1074772746.db2.gz WAKPUNWZZUFLAG-HNNXBMFYSA-N 0 0 414.418 1.728 20 0 HDADRN CCOCCCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000675261340 1074772884 /nfs/dbraw/zinc/77/28/84/1074772884.db2.gz GVXJKJZRYMXMOR-UHFFFAOYSA-N 0 0 405.455 1.118 20 0 HDADRN COc1ccc(C)cc1CNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000675261363 1074772973 /nfs/dbraw/zinc/77/29/73/1074772973.db2.gz KOOMPCDJSJXGKK-UHFFFAOYSA-N 0 0 408.451 1.942 20 0 HDADRN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCOc3ccccc3C2)cc1F ZINC000675261430 1074772993 /nfs/dbraw/zinc/77/29/93/1074772993.db2.gz XRWXPCOBSSHVHW-UHFFFAOYSA-N 0 0 406.435 1.730 20 0 HDADRN COC(=O)[C@@H]1CCCN(C(=O)c2cccc(Nc3ccc(C)nn3)c2)[C@H]1C(=O)OC ZINC000442116950 1074772925 /nfs/dbraw/zinc/77/29/25/1074772925.db2.gz BMTLBHHQZRPQHX-SJLPKXTDSA-N 0 0 412.446 2.095 20 0 HDADRN CC[C@H](C[C@H](C)CO)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000675263247 1074773598 /nfs/dbraw/zinc/77/35/98/1074773598.db2.gz CZKBCXNHPMOTCM-SWLSCSKDSA-N 0 0 419.482 1.098 20 0 HDADRN CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N(CCO)CC(C)(C)C)C1=O ZINC000675262712 1074773696 /nfs/dbraw/zinc/77/36/96/1074773696.db2.gz QGEGFTYPHDQHKL-UHFFFAOYSA-N 0 0 419.482 1.052 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000675262734 1074773707 /nfs/dbraw/zinc/77/37/07/1074773707.db2.gz IQCUKSJRTLBMOB-KRWDZBQOSA-N 0 0 401.471 1.153 20 0 HDADRN COC(=O)COc1ccc(N(C)C(=O)[C@H](C)NC(=O)COc2ccccc2)cc1 ZINC000509316913 1074774187 /nfs/dbraw/zinc/77/41/87/1074774187.db2.gz MJTVAOAZKFNUMI-HNNXBMFYSA-N 0 0 400.431 1.785 20 0 HDADRN Cn1cc(Oc2ccccc2C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cn1 ZINC000509316978 1074774303 /nfs/dbraw/zinc/77/43/03/1074774303.db2.gz NGFGMORYNMCPFI-IFXJQAMLSA-N 0 0 405.476 1.679 20 0 HDADRN O=C(NCCc1nc(C(F)(F)F)cs1)Nc1ccn(CCN2CCOCC2)n1 ZINC000438308682 1074774944 /nfs/dbraw/zinc/77/49/44/1074774944.db2.gz WEKSXCQOFGDHFH-UHFFFAOYSA-N 0 0 418.445 2.055 20 0 HDADRN C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)N1c2ccccc2C[C@H]1C ZINC001128974361 1074775790 /nfs/dbraw/zinc/77/57/90/1074775790.db2.gz RWLDHLRWAXKSHJ-CABCVRRESA-N 0 0 412.490 1.724 20 0 HDADRN O=C(NCCn1c(=O)[nH]c2ccccc21)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000532341445 1074775908 /nfs/dbraw/zinc/77/59/08/1074775908.db2.gz URJTVLIGMWJZCZ-UHFFFAOYSA-N 0 0 404.430 1.742 20 0 HDADRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C ZINC000675267041 1074776471 /nfs/dbraw/zinc/77/64/71/1074776471.db2.gz KDWRSUISVYSDNJ-QGZVFWFLSA-N 0 0 404.492 1.743 20 0 HDADRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000675266593 1074776743 /nfs/dbraw/zinc/77/67/43/1074776743.db2.gz SUSFTRVKAFIMQY-HXUWFJFHSA-N 0 0 411.506 1.863 20 0 HDADRN Cc1oc(C(C)C)cc1C(=O)N1CC(CCO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001487042395 1074776877 /nfs/dbraw/zinc/77/68/77/1074776877.db2.gz RWQSZEWVOSDGAH-LHHMMCJZSA-N 0 0 402.491 1.828 20 0 HDADRN N#Cc1cccnc1NCCNC(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000140931917 1074776935 /nfs/dbraw/zinc/77/69/35/1074776935.db2.gz AWJPEVFAKYKTAO-UHFFFAOYSA-N 0 0 408.462 1.337 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)nn1-c1ccc(F)cc1F ZINC000566939019 1074777301 /nfs/dbraw/zinc/77/73/01/1074777301.db2.gz OUEATJJMQHZVEN-GOEBONIOSA-N 0 0 417.416 1.667 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)nn1-c1ccccc1 ZINC000560848866 1074777320 /nfs/dbraw/zinc/77/73/20/1074777320.db2.gz DGFVZGWHLVXQQZ-INIZCTEOSA-N 0 0 403.442 2.041 20 0 HDADRN C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000429326492 1074777696 /nfs/dbraw/zinc/77/76/96/1074777696.db2.gz IHVJOAZTWVEUCU-ZWKOTPCHSA-N 0 0 401.555 1.896 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H]2CCOC3(CCOCC3)C2)nn1C1CCCCC1 ZINC000563843422 1074778631 /nfs/dbraw/zinc/77/86/31/1074778631.db2.gz VNDVBNAFDDGXBA-INIZCTEOSA-N 0 0 404.511 2.480 20 0 HDADRN COc1cc(C(=O)N2CCC[C@@H]2c2cn(C)nc2C)cc(OC)c1OCC(N)=O ZINC000675254902 1074778832 /nfs/dbraw/zinc/77/88/32/1074778832.db2.gz ZCIFKMJDNMBTNG-OAHLLOKOSA-N 0 0 402.451 1.587 20 0 HDADRN CCC(CC)(CNC(=O)C(=O)Nc1nc(C)n(C)n1)c1ccc(OC)c(OC)c1 ZINC000551015032 1074778864 /nfs/dbraw/zinc/77/88/64/1074778864.db2.gz SYWUHIHEBCMMRL-UHFFFAOYSA-N 0 0 403.483 1.953 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000675254345 1074779141 /nfs/dbraw/zinc/77/91/41/1074779141.db2.gz FUOJGYYYXUHQDC-SFHVURJKSA-N 0 0 418.519 1.568 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)nn1-c1ccccc1 ZINC000540087518 1074779375 /nfs/dbraw/zinc/77/93/75/1074779375.db2.gz BLAIFOFBECPEQG-INIZCTEOSA-N 0 0 410.455 1.764 20 0 HDADRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000675257205 1074780028 /nfs/dbraw/zinc/78/00/28/1074780028.db2.gz PFUWGCRLUCRXCJ-AWEZNQCLSA-N 0 0 413.463 1.117 20 0 HDADRN CS(=O)(=O)CCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000675285366 1074780229 /nfs/dbraw/zinc/78/02/29/1074780229.db2.gz QNJIAPFSSMXKJO-UHFFFAOYSA-N 0 0 400.566 1.306 20 0 HDADRN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)Cc1ccc2c(c1)OCCO2 ZINC000675285619 1074780294 /nfs/dbraw/zinc/78/02/94/1074780294.db2.gz UAEHJCBYLXKXIZ-UHFFFAOYSA-N 0 0 405.476 1.484 20 0 HDADRN O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N1CCN(Cc2cccs2)CC1 ZINC000675286003 1074780474 /nfs/dbraw/zinc/78/04/74/1074780474.db2.gz GTDZGYKWSJIQIT-UHFFFAOYSA-N 0 0 421.544 1.401 20 0 HDADRN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000675286354 1074780799 /nfs/dbraw/zinc/78/07/99/1074780799.db2.gz UTNCCOCSXIHUFM-UHFFFAOYSA-N 0 0 410.540 1.161 20 0 HDADRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C(=O)Nc2c(C)onc2CC)s1 ZINC000509321261 1074780889 /nfs/dbraw/zinc/78/08/89/1074780889.db2.gz UWPFKWOCNMLWID-BDAKNGLRSA-N 0 0 408.484 1.677 20 0 HDADRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1 ZINC000589418331 1074781282 /nfs/dbraw/zinc/78/12/82/1074781282.db2.gz QMHMTWOHMGEEMQ-ZVZYQTTQSA-N 0 0 402.495 2.435 20 0 HDADRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(-c2ccccc2Cl)n1 ZINC000467125518 1074781326 /nfs/dbraw/zinc/78/13/26/1074781326.db2.gz AIDFHVUVRBZPFC-DCGLDWPTSA-N 0 0 416.865 2.264 20 0 HDADRN CCOc1cccc(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)c1 ZINC001487054278 1074781537 /nfs/dbraw/zinc/78/15/37/1074781537.db2.gz YWVJBJRXIYGLQS-LFDJNIOPSA-N 0 0 400.475 1.202 20 0 HDADRN 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Cc1ccc(C)c(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1 ZINC000446806023 1075273469 /nfs/dbraw/zinc/27/34/69/1075273469.db2.gz KCRMFVIPMHWGTE-UHFFFAOYSA-N 0 0 409.412 2.350 20 0 HDADRN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001129068183 1075274297 /nfs/dbraw/zinc/27/42/97/1075274297.db2.gz NYHIPDPSWIMMCC-PKOBYXMFSA-N 0 0 421.498 1.332 20 0 HDADRN CCNC(=O)COc1cccc(CNC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000675808448 1075274542 /nfs/dbraw/zinc/27/45/42/1075274542.db2.gz CVHIVLMGVCIPQD-IBGZPJMESA-N 0 0 416.522 1.934 20 0 HDADRN O=S(=O)(C1CC1)N1CCC[C@@H](Nc2ccc3nnc(-c4ccsc4)n3n2)C1 ZINC000561435040 1075274718 /nfs/dbraw/zinc/27/47/18/1075274718.db2.gz HRCCXKOFPCIOHQ-CYBMUJFWSA-N 0 0 404.521 2.221 20 0 HDADRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)C2)c1 ZINC001129068652 1075274809 /nfs/dbraw/zinc/27/48/09/1075274809.db2.gz PZNRWMGVNFZMLL-QUCCMNQESA-N 0 0 422.503 1.624 20 0 HDADRN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC(C)(C)[C@@H]3c3nccn3C)ccc21 ZINC001129068800 1075274873 /nfs/dbraw/zinc/27/48/73/1075274873.db2.gz QVDMJOFXWYZDRS-IBGZPJMESA-N 0 0 409.490 1.669 20 0 HDADRN Cc1ccc(CN(C)C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)s1 ZINC000542998604 1075276180 /nfs/dbraw/zinc/27/61/80/1075276180.db2.gz PVZXYTZXSAYQCI-UHFFFAOYSA-N 0 0 418.523 1.648 20 0 HDADRN COCCOCC(=O)NC1CCC(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)CC1 ZINC001129070421 1075276720 /nfs/dbraw/zinc/27/67/20/1075276720.db2.gz TYDXBRDAVWNTNK-WXVPWVKJSA-N 0 0 422.526 1.094 20 0 HDADRN Cc1ccc(CN(CCO)C(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)o1 ZINC000564185847 1075276803 /nfs/dbraw/zinc/27/68/03/1075276803.db2.gz VNTVISOKFRHCCK-UHFFFAOYSA-N 0 0 418.400 2.320 20 0 HDADRN CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CCO[C@@H](c3ccnn3C)C1)C2=O ZINC001129070518 1075276942 /nfs/dbraw/zinc/27/69/42/1075276942.db2.gz WGGQIKRXFBDMSF-OOJDGGTISA-N 0 0 403.483 1.257 20 0 HDADRN O=C(NCCNC(=O)c1c(F)cccc1F)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675820732 1075277192 /nfs/dbraw/zinc/27/71/92/1075277192.db2.gz SNEIGGMADVVHLD-MRXNPFEDSA-N 0 0 408.449 1.927 20 0 HDADRN O=C(NCCNC(=O)c1c(F)cccc1F)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675820731 1075277253 /nfs/dbraw/zinc/27/72/53/1075277253.db2.gz SNEIGGMADVVHLD-INIZCTEOSA-N 0 0 408.449 1.927 20 0 HDADRN NC(=O)c1ccccc1N1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)C1 ZINC000675820654 1075277300 /nfs/dbraw/zinc/27/73/00/1075277300.db2.gz PQDWMPKEMDUPRD-JXFKEZNVSA-N 0 0 410.474 1.853 20 0 HDADRN NC(=O)c1ccccc1N1CC[C@H](NC(=O)NCC[C@H]2COc3ccccc3O2)C1 ZINC000675820799 1075277526 /nfs/dbraw/zinc/27/75/26/1075277526.db2.gz WXYIKXXCYVEYQH-HOTGVXAUSA-N 0 0 410.474 1.894 20 0 HDADRN CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001129065812 1075277592 /nfs/dbraw/zinc/27/75/92/1075277592.db2.gz BIMPBIMBTVIUHQ-MRXNPFEDSA-N 0 0 416.341 1.951 20 0 HDADRN COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 ZINC000466697230 1075277642 /nfs/dbraw/zinc/27/76/42/1075277642.db2.gz QDAMSZOEQAHGHU-UHFFFAOYSA-N 0 0 409.442 1.964 20 0 HDADRN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NCC[C@@H]2COc3ccccc3O2)C1 ZINC000675820800 1075277659 /nfs/dbraw/zinc/27/76/59/1075277659.db2.gz WXYIKXXCYVEYQH-HZPDHXFCSA-N 0 0 410.474 1.894 20 0 HDADRN Cc1nc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cn1C ZINC000675821912 1075278258 /nfs/dbraw/zinc/27/82/58/1075278258.db2.gz PMYIVCXBDLAUQK-KRWDZBQOSA-N 0 0 402.520 1.682 20 0 HDADRN COc1cccc([C@@H]2CN(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CCO2)c1 ZINC000675824131 1075278592 /nfs/dbraw/zinc/27/85/92/1075278592.db2.gz OCJIYEFYIKSIFD-HZUJVAHNSA-N 0 0 416.478 1.499 20 0 HDADRN CS(=O)(=O)N1CCc2c1cccc2NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000543646319 1075279377 /nfs/dbraw/zinc/27/93/77/1075279377.db2.gz HLQCSSIPXNYANS-UHFFFAOYSA-N 0 0 418.479 1.128 20 0 HDADRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000675832495 1075279858 /nfs/dbraw/zinc/27/98/58/1075279858.db2.gz PUJQPDDQFXYGTP-GOSISDBHSA-N 0 0 411.510 1.311 20 0 HDADRN Cc1cc(NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000675832311 1075279879 /nfs/dbraw/zinc/27/98/79/1075279879.db2.gz MNXXVNNLHHANOI-WBVHZDCISA-N 0 0 420.491 1.862 20 0 HDADRN O=C(Cc1ccc2c(c1)COC2)N1CCN(CCNC(=O)c2ccccc2F)CC1 ZINC000543646029 1075280036 /nfs/dbraw/zinc/28/00/36/1075280036.db2.gz ISKQMULFNRBFEA-UHFFFAOYSA-N 0 0 411.477 1.973 20 0 HDADRN Cc1cc(N2CC[C@@H](NC(=O)N[C@H]3CCN(C4CCCCC4)C3=O)C2=O)n(C)n1 ZINC000675834951 1075280239 /nfs/dbraw/zinc/28/02/39/1075280239.db2.gz CCXLLFSKTNKFPP-JKSUJKDBSA-N 0 0 402.499 1.067 20 0 HDADRN CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)CN2C(=O)COc3ccccc32)o1 ZINC000923289927 1075280683 /nfs/dbraw/zinc/28/06/83/1075280683.db2.gz KFOBFWSBQWMFKJ-LBPRGKRZSA-N 0 0 400.387 1.456 20 0 HDADRN O=C(NCCNS(=O)(=O)c1ccccc1)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000675839775 1075281055 /nfs/dbraw/zinc/28/10/55/1075281055.db2.gz JYXPLOONMQKWER-QGZVFWFLSA-N 0 0 408.524 1.198 20 0 HDADRN O=C(NCCNS(=O)(=O)c1ccccc1)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000675839774 1075281094 /nfs/dbraw/zinc/28/10/94/1075281094.db2.gz JYXPLOONMQKWER-KRWDZBQOSA-N 0 0 408.524 1.198 20 0 HDADRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000675840021 1075281455 /nfs/dbraw/zinc/28/14/55/1075281455.db2.gz LAAMYCGRDFWNEN-IEBWSBKVSA-N 0 0 419.570 1.258 20 0 HDADRN CCN(C)C(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2cccc(C)c2)C1=O)C(C)C ZINC001129080865 1075281760 /nfs/dbraw/zinc/28/17/60/1075281760.db2.gz OMXTUQFZAJZOKI-AEFFLSMTSA-N 0 0 402.495 1.819 20 0 HDADRN COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2nn(C)cc2I)C1 ZINC001129100848 1075282524 /nfs/dbraw/zinc/28/25/24/1075282524.db2.gz GFYQRBWSZKEUDP-NXEZZACHSA-N 0 0 405.236 1.620 20 0 HDADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)[C@H](C)S(C)(=O)=O)CC1 ZINC001129101501 1075282986 /nfs/dbraw/zinc/28/29/86/1075282986.db2.gz NLHZIXDYXATUJS-KGLIPLIRSA-N 0 0 416.565 1.165 20 0 HDADRN Cc1c([C@H]2[C@H](NC(=O)N3CCC[C@@H](Cc4nccn4C)C3)CC(=O)N2C)cnn1C ZINC000429382664 1075283062 /nfs/dbraw/zinc/28/30/62/1075283062.db2.gz JATNMLYXLPFMJJ-VPWXQRGCSA-N 0 0 413.526 1.398 20 0 HDADRN CCn1ncc(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)n1 ZINC001129102247 1075283388 /nfs/dbraw/zinc/28/33/88/1075283388.db2.gz SOCIHAOKTSDHBP-CQSZACIVSA-N 0 0 405.524 1.657 20 0 HDADRN C[C@@H](Sc1nc(CC(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cs1)C(N)=O ZINC001129102510 1075283403 /nfs/dbraw/zinc/28/34/03/1075283403.db2.gz VDBBCMUOWJRQBL-DOMZBBRYSA-N 0 0 420.560 1.987 20 0 HDADRN COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000466703388 1075283544 /nfs/dbraw/zinc/28/35/44/1075283544.db2.gz NUIPSRBUXJEWNS-UHFFFAOYSA-N 0 0 401.394 1.569 20 0 HDADRN NC(=O)COc1cccc2c1CCCN2C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC001129084962 1075284513 /nfs/dbraw/zinc/28/45/13/1075284513.db2.gz HDPDRCYFCMGYEP-UHFFFAOYSA-N 0 0 422.416 1.829 20 0 HDADRN O=S(=O)(c1ccc(NCCC2CCS(=O)(=O)CC2)nc1)N1CCCCC1 ZINC000508338071 1075284569 /nfs/dbraw/zinc/28/45/69/1075284569.db2.gz FTPQKLNROGGDSF-UHFFFAOYSA-N 0 0 401.554 1.883 20 0 HDADRN CNC(=O)C[C@H](C)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC001129086260 1075284812 /nfs/dbraw/zinc/28/48/12/1075284812.db2.gz FJEDKKIVEQSOPQ-MNOVXSKESA-N 0 0 405.314 1.500 20 0 HDADRN COc1c(NC(=O)C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc(Cl)cc1C(N)=O ZINC000570300258 1075284834 /nfs/dbraw/zinc/28/48/34/1075284834.db2.gz UONKBQOOJSCVOA-VIFPVBQESA-N 0 0 421.841 1.642 20 0 HDADRN O=S(=O)(c1ccc(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)nc1)N1CCCCC1 ZINC000548986897 1075285278 /nfs/dbraw/zinc/28/52/78/1075285278.db2.gz IADQSVYFLDWPTI-VQIMIIECSA-N 0 0 409.552 2.236 20 0 HDADRN O=S(=O)(c1ccc(NCc2cncc(Br)c2)nc1)N1CCOCC1 ZINC000438012829 1075285936 /nfs/dbraw/zinc/28/59/36/1075285936.db2.gz NKHZXRFJXIZNKM-UHFFFAOYSA-N 0 0 413.297 1.872 20 0 HDADRN CN(C)C(=O)O[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC001129096145 1075286059 /nfs/dbraw/zinc/28/60/59/1075286059.db2.gz OYPCQNYBLIOEEW-QGZVFWFLSA-N 0 0 423.535 1.703 20 0 HDADRN Cn1cc(N2C[C@@H](C(=O)Nc3ncccc3CNC(=O)OC(C)(C)C)CC2=O)cn1 ZINC001129096987 1075286552 /nfs/dbraw/zinc/28/65/52/1075286552.db2.gz UKCZZLJEWXTLIA-AWEZNQCLSA-N 0 0 414.466 1.831 20 0 HDADRN O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1nc2ncc(Br)cn2n1 ZINC001129107208 1075286783 /nfs/dbraw/zinc/28/67/83/1075286783.db2.gz PVMZPVFWCNYMRF-QWHCGFSZSA-N 0 0 403.240 1.932 20 0 HDADRN Cc1nc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cn1C ZINC000509371399 1075287687 /nfs/dbraw/zinc/28/76/87/1075287687.db2.gz IQQPEHLBSUOWJL-UHFFFAOYSA-N 0 0 414.434 1.557 20 0 HDADRN CC(C)CCn1ccc(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1 ZINC000675898045 1075288122 /nfs/dbraw/zinc/28/81/22/1075288122.db2.gz FAVIQHSLPQDRBP-UHFFFAOYSA-N 0 0 418.542 1.897 20 0 HDADRN COCCOc1cncc(C(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)c1 ZINC000509373257 1075288326 /nfs/dbraw/zinc/28/83/26/1075288326.db2.gz QKVHVPVBGSSDKN-UHFFFAOYSA-N 0 0 412.490 1.676 20 0 HDADRN NC(=O)CCNC(=O)c1cccc(NC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c1 ZINC000675886586 1075289428 /nfs/dbraw/zinc/28/94/28/1075289428.db2.gz JRPSSRZVTODMJN-KRWDZBQOSA-N 0 0 415.494 1.347 20 0 HDADRN C[C@H]1N(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)CCOC1(C)C ZINC000675886072 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402.491 1.640 20 0 HDADRN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000553693579 1075550795 /nfs/dbraw/zinc/55/07/95/1075550795.db2.gz FKIZJZZNSQWGRQ-QGZVFWFLSA-N 0 0 422.576 2.567 20 0 HDADRN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](OC)C2)c(OC)c1 ZINC000466730577 1075551166 /nfs/dbraw/zinc/55/11/66/1075551166.db2.gz GLHVQHGVZGSCLF-XJKSGUPXSA-N 0 0 420.553 1.892 20 0 HDADRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000466730603 1075551173 /nfs/dbraw/zinc/55/11/73/1075551173.db2.gz UQFRCOOTXNZYLN-WMLDXEAASA-N 0 0 404.554 1.763 20 0 HDADRN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCO[C@@H](CN(C)c3cccnn3)C2)CC1=O ZINC000676430098 1075551402 /nfs/dbraw/zinc/55/14/02/1075551402.db2.gz GWGOFBRTJALXDU-RLLQIKCJSA-N 0 0 423.517 1.750 20 0 HDADRN CN(CCNC(=O)c1cn(C)nc1-c1cccnc1)S(=O)(=O)c1cccs1 ZINC000676436067 1075552452 /nfs/dbraw/zinc/55/24/52/1075552452.db2.gz VRVOCGWNBOKJOU-UHFFFAOYSA-N 0 0 405.505 1.594 20 0 HDADRN 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417.572 1.999 20 0 HDADRN Cc1cn(-c2ncccc2F)nc1NC(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000549194222 1075434253 /nfs/dbraw/zinc/43/42/53/1075434253.db2.gz GGNKXIZRBFPYLH-CYBMUJFWSA-N 0 0 414.445 2.575 20 0 HDADRN CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000676199126 1075434519 /nfs/dbraw/zinc/43/45/19/1075434519.db2.gz NCGWGSMAQWQKQA-CYBMUJFWSA-N 0 0 410.458 1.691 20 0 HDADRN CC(C)N(CCC(=O)NC1CCN(CCS(C)(=O)=O)CC1)C(=O)OC(C)(C)C ZINC000731650900 1075434516 /nfs/dbraw/zinc/43/45/16/1075434516.db2.gz PPRGRZABLPRMNW-UHFFFAOYSA-N 0 0 419.588 1.647 20 0 HDADRN CCc1c(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cnn1-c1ccccn1 ZINC000731650927 1075434901 /nfs/dbraw/zinc/43/49/01/1075434901.db2.gz SBIRVFWELUCTHR-UHFFFAOYSA-N 0 0 405.524 1.069 20 0 HDADRN CS(=O)(=O)CCN1CCC(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000731650772 1075434963 /nfs/dbraw/zinc/43/49/63/1075434963.db2.gz IZSLFTFJCXIMQP-UHFFFAOYSA-N 0 0 410.927 1.969 20 0 HDADRN COC(=O)c1c(NC(=O)CN2CC[C@@H](CS(C)(=O)=O)C2)sc2c1CCCC2 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417.487 1.952 20 0 HDADRN CCCCNS(=O)(=O)c1cccc(NC(=O)NCC(C)(C)S(C)(=O)=O)c1 ZINC000674019311 1074076343 /nfs/dbraw/zinc/07/63/43/1074076343.db2.gz HJKDGOOSYJJBNT-UHFFFAOYSA-N 0 0 405.542 1.710 20 0 HDADRN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000766054557 1074076780 /nfs/dbraw/zinc/07/67/80/1074076780.db2.gz BGKKWTRMBBVLPT-HRAATJIYSA-N 0 0 411.462 1.394 20 0 HDADRN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000766054576 1074077127 /nfs/dbraw/zinc/07/71/27/1074077127.db2.gz BGKKWTRMBBVLPT-IERDGZPVSA-N 0 0 411.462 1.394 20 0 HDADRN COCCn1c(N)c(C(=O)CN2CCCCc3c(Cl)cccc32)c(=O)[nH]c1=O ZINC000543551603 1074078379 /nfs/dbraw/zinc/07/83/79/1074078379.db2.gz KBRZQBPXVMTDSB-UHFFFAOYSA-N 0 0 406.870 1.857 20 0 HDADRN CCOc1cc(NC2CCN(C(=O)CNC(=O)c3ccc(F)cc3F)CC2)ncn1 ZINC000466605911 1074078797 /nfs/dbraw/zinc/07/87/97/1074078797.db2.gz DVASSCILFZQJOB-UHFFFAOYSA-N 0 0 419.432 1.986 20 0 HDADRN CC(C)Oc1cccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1OCCO[C@H]1C ZINC001005085983 1074079367 /nfs/dbraw/zinc/07/93/67/1074079367.db2.gz TULBLQZRJYNCNW-RGQDEETRSA-N 0 0 403.479 1.534 20 0 HDADRN Cn1nc(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 ZINC001626094276 1074081376 /nfs/dbraw/zinc/08/13/76/1074081376.db2.gz YFAREEFUVIOTQJ-UHFFFAOYSA-N 0 0 406.490 1.366 20 0 HDADRN CCOc1cc(NC2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)ncn1 ZINC000466607860 1074082403 /nfs/dbraw/zinc/08/24/03/1074082403.db2.gz BSLKDCXYKHYZIC-UHFFFAOYSA-N 0 0 411.510 1.985 20 0 HDADRN Cc1ccc(CNC(=O)NC[C@](C)(O)CN2CCOCC2)c(OC[C@H]2CCCO2)c1 ZINC000466607679 1074082682 /nfs/dbraw/zinc/08/26/82/1074082682.db2.gz MZVJMDGPVPJALP-KNQAVFIVSA-N 0 0 421.538 1.435 20 0 HDADRN CC1(C)[C@H](NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)[C@H]2CCCO[C@@H]21 ZINC000543555277 1074083447 /nfs/dbraw/zinc/08/34/47/1074083447.db2.gz OLEVPUOMVBEKDV-XYPHTWIQSA-N 0 0 421.519 1.267 20 0 HDADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@@H](CO)c2ccccc2C)c1 ZINC000543554887 1074084588 /nfs/dbraw/zinc/08/45/88/1074084588.db2.gz HODHVOLZJWXNBB-SFHVURJKSA-N 0 0 421.457 1.376 20 0 HDADRN COc1ccc(CN2CCCN(C(=O)c3csc(S(N)(=O)=O)c3)CC2=O)cc1 ZINC000466608597 1074086553 /nfs/dbraw/zinc/08/65/53/1074086553.db2.gz PJWLGHCOFVCEJG-UHFFFAOYSA-N 0 0 423.516 1.279 20 0 HDADRN CCn1cnnc1-c1ccccc1NC(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000543553644 1074088509 /nfs/dbraw/zinc/08/85/09/1074088509.db2.gz QXSQLEWNDJVCRZ-UHFFFAOYSA-N 0 0 412.494 1.761 20 0 HDADRN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000674030299 1074089458 /nfs/dbraw/zinc/08/94/58/1074089458.db2.gz SIWIESGZOIYHFG-KBPBESRZSA-N 0 0 414.494 1.232 20 0 HDADRN COC[C@H](NC(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1)[C@H]1CCCOC1 ZINC001626095567 1074090431 /nfs/dbraw/zinc/09/04/31/1074090431.db2.gz WJCWFFMJTCPHFJ-TWOQFEAHSA-N 0 0 400.516 1.866 20 0 HDADRN CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(C)cc2OC[C@@H]2CCCO2)CCO1 ZINC000466608469 1074091121 /nfs/dbraw/zinc/09/11/21/1074091121.db2.gz OWDMFKNHILRPGW-OALUTQOASA-N 0 0 405.495 1.599 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H](CO)SC)c1 ZINC000509204332 1074091131 /nfs/dbraw/zinc/09/11/31/1074091131.db2.gz DEYLRKCVHRRTPL-SWLSCSKDSA-N 0 0 410.583 1.108 20 0 HDADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N[C@@H](C)c2ncc(C)s2)c1 ZINC000543556048 1074091606 /nfs/dbraw/zinc/09/16/06/1074091606.db2.gz DRRASAMCCKHTJC-LBPRGKRZSA-N 0 0 412.475 1.860 20 0 HDADRN COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000466609229 1074096052 /nfs/dbraw/zinc/09/60/52/1074096052.db2.gz LPEQPINGXRJBEF-HUUCEWRRSA-N 0 0 404.902 1.971 20 0 HDADRN CO[C@H]1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2Br)C12CCC2 ZINC001626096815 1074096385 /nfs/dbraw/zinc/09/63/85/1074096385.db2.gz FOQFPAMFURHAJH-OLZOCXBDSA-N 0 0 403.298 1.784 20 0 HDADRN COc1cc(CNC(=O)C(=O)N2CCCc3ccc(F)cc32)ccc1OCC(N)=O ZINC000543556672 1074097272 /nfs/dbraw/zinc/09/72/72/1074097272.db2.gz HMIUEQZWZVPVTN-UHFFFAOYSA-N 0 0 415.421 1.294 20 0 HDADRN CC(C)CN1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1=O ZINC000429204337 1074098308 /nfs/dbraw/zinc/09/83/08/1074098308.db2.gz OXFBVULYMKADDO-UHFFFAOYSA-N 0 0 424.523 1.040 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)C[C@@H](C)O)c1 ZINC000509204321 1074098938 /nfs/dbraw/zinc/09/89/38/1074098938.db2.gz DBFJRAOBSLXZPB-CQSZACIVSA-N 0 0 406.570 1.793 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](C(C)C)C2)c1 ZINC000509203663 1074099101 /nfs/dbraw/zinc/09/91/01/1074099101.db2.gz SPDUPHFZAMQFIO-KRWDZBQOSA-N 0 0 404.554 1.763 20 0 HDADRN CCN1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1=O ZINC000543560943 1074100649 /nfs/dbraw/zinc/10/06/49/1074100649.db2.gz FPWUYROHQMFSBC-GFCCVEGCSA-N 0 0 416.931 1.081 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CO)CC(C)(C)C)c1 ZINC000509205257 1074101588 /nfs/dbraw/zinc/10/15/88/1074101588.db2.gz IKVMWPACUMXDNR-CQSZACIVSA-N 0 0 406.570 1.793 20 0 HDADRN COc1cccc(-c2nc(=NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)s[n-]2)c1 ZINC000543559248 1074102156 /nfs/dbraw/zinc/10/21/56/1074102156.db2.gz PSMXMLYMMVSWNP-CQSZACIVSA-N 0 0 415.519 1.518 20 0 HDADRN COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509204201 1074103705 /nfs/dbraw/zinc/10/37/05/1074103705.db2.gz VCEZSGWAEGMKGS-AWEZNQCLSA-N 0 0 400.497 1.294 20 0 HDADRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccc(CCNS(C)(=O)=O)cc3)[C@H]2C1 ZINC000674035332 1074105224 /nfs/dbraw/zinc/10/52/24/1074105224.db2.gz RRBICCVLLPPMMP-GBESFXJTSA-N 0 0 407.536 1.155 20 0 HDADRN CN(C)S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000674035205 1074105808 /nfs/dbraw/zinc/10/58/08/1074105808.db2.gz VJDKNGBMZUMLKC-STQMWFEESA-N 0 0 400.467 1.489 20 0 HDADRN CCOc1cc(NC2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)ncn1 ZINC000466613020 1074106170 /nfs/dbraw/zinc/10/61/70/1074106170.db2.gz YESHXTXEFXOHLT-UHFFFAOYSA-N 0 0 419.432 1.986 20 0 HDADRN CN(Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543559729 1074107317 /nfs/dbraw/zinc/10/73/17/1074107317.db2.gz 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COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1NC(C)=O ZINC000675603612 1075220591 /nfs/dbraw/zinc/22/05/91/1075220591.db2.gz ZPSGCOXSTJALIL-MRXNPFEDSA-N 0 0 416.478 1.499 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC[C@H]2c2ccc(OC)c(OC)c2)n1 ZINC000426675520 1075221186 /nfs/dbraw/zinc/22/11/86/1075221186.db2.gz SVNBGUNTYDIJPO-ZBFHGGJFSA-N 0 0 416.478 2.410 20 0 HDADRN CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675605041 1075221909 /nfs/dbraw/zinc/22/19/09/1075221909.db2.gz DXXHLRCSTXNZGR-FUHWJXTLSA-N 0 0 411.510 1.182 20 0 HDADRN O=C(CNC(=O)c1cc(-c2ccccc2)on1)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675604616 1075221922 /nfs/dbraw/zinc/22/19/22/1075221922.db2.gz DCMNRGNDXNRASC-QGZVFWFLSA-N 0 0 410.474 1.979 20 0 HDADRN O=C(Nc1nc2ccccn2n1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000554870498 1075222571 /nfs/dbraw/zinc/22/25/71/1075222571.db2.gz BCIXXNSZQQHGCE-UHFFFAOYSA-N 0 0 410.463 2.191 20 0 HDADRN O=C(Nc1nc2ccccn2n1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000480681823 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Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(Cc3nn[nH]n3)cc2)no1 ZINC000473895805 1075225911 /nfs/dbraw/zinc/22/59/11/1075225911.db2.gz MWWKPVZUAWRTHU-NSHDSACASA-N 0 0 401.452 1.786 20 0 HDADRN O=C(NCc1ccnc(N2CCCCC2)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000675588106 1075226312 /nfs/dbraw/zinc/22/63/12/1075226312.db2.gz QBCSTISDANECMI-SFHVURJKSA-N 0 0 412.494 1.702 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 ZINC000426501355 1075227207 /nfs/dbraw/zinc/22/72/07/1075227207.db2.gz RSXPIIDZHRXZPR-CHWSQXEVSA-N 0 0 419.869 1.604 20 0 HDADRN CC(=O)N1CCC(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000016235447 1075227489 /nfs/dbraw/zinc/22/74/89/1075227489.db2.gz FVUZPXYUDYMBEV-UHFFFAOYSA-N 0 0 402.520 1.854 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)n1 ZINC000426986318 1075227762 /nfs/dbraw/zinc/22/77/62/1075227762.db2.gz KCWHOGXCIZKKGT-CABCVRRESA-N 0 0 409.490 2.492 20 0 HDADRN Cc1ccc(NC(=O)C2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)nc1 ZINC000675589577 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CC(C)OCc1ccccc1CNC(=O)CS(=O)(=O)Cc1ccn(C)c(=O)c1 ZINC000675619452 1075240791 /nfs/dbraw/zinc/24/07/91/1075240791.db2.gz WLVMQCQMWSMGGU-UHFFFAOYSA-N 0 0 406.504 1.542 20 0 HDADRN COCCOc1ccc(CNC(=O)CS(=O)(=O)Cc2noc3c2CCCC3)cc1 ZINC000675619047 1075240823 /nfs/dbraw/zinc/24/08/23/1075240823.db2.gz QXUMROQQPOIPKL-UHFFFAOYSA-N 0 0 422.503 1.810 20 0 HDADRN C[C@H](NC(=O)c1cnn2cc(Br)cnc12)C(=O)NCCc1ccccc1 ZINC001129032028 1075241039 /nfs/dbraw/zinc/24/10/39/1075241039.db2.gz BCSSAUYPNJIGMW-LBPRGKRZSA-N 0 0 416.279 1.969 20 0 HDADRN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cccs3)CC2)cc1 ZINC000466692338 1075241394 /nfs/dbraw/zinc/24/13/94/1075241394.db2.gz BSAXVZPACJKJLS-UHFFFAOYSA-N 0 0 422.532 1.797 20 0 HDADRN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)C(=O)N1CCNC(=O)C[C@@H]1C ZINC000675621778 1075241793 /nfs/dbraw/zinc/24/17/93/1075241793.db2.gz CJFYMMWNKWRFHW-MNOVXSKESA-N 0 0 414.275 1.372 20 0 HDADRN Cc1nc2ccccn2c1CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000509358340 1075241922 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CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731579373 1075393225 /nfs/dbraw/zinc/39/32/25/1075393225.db2.gz DGAVLKFFGYQHEH-HNNXBMFYSA-N 0 0 404.467 1.755 20 0 HDADRN COc1ccc(Cn2ccc(NC(=O)C(=O)N(C)CCC(=O)OC(C)(C)C)n2)cc1 ZINC000441487697 1075393350 /nfs/dbraw/zinc/39/33/50/1075393350.db2.gz HAHXWPZESOTLEG-UHFFFAOYSA-N 0 0 416.478 2.069 20 0 HDADRN Cc1nc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)nn1-c1ccccc1 ZINC000731578852 1075393530 /nfs/dbraw/zinc/39/35/30/1075393530.db2.gz QNEHOFVFXVTMHB-OAHLLOKOSA-N 0 0 403.533 1.666 20 0 HDADRN COC(=O)C1(NC(=O)CNc2ccccc2C(=O)N2CCOCC2)CCCCC1 ZINC000543657867 1075393859 /nfs/dbraw/zinc/39/38/59/1075393859.db2.gz MZSQAYNLKHEKRP-UHFFFAOYSA-N 0 0 403.479 1.563 20 0 HDADRN CN(C)S(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)ccc1F ZINC000731580500 1075394245 /nfs/dbraw/zinc/39/42/45/1075394245.db2.gz QISFREUQBWLSDO-CQSZACIVSA-N 0 0 415.512 1.212 20 0 HDADRN CCS(=O)(=O)N[C@H](CCSC)C(=O)NCCNc1ccc2ccccc2n1 ZINC000610429173 1075394337 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CCCCc1ccc(N2C[C@@H](C(=O)NCC(C)(C)NS(C)(=O)=O)CC2=O)cc1 ZINC000731586977 1075395889 /nfs/dbraw/zinc/39/58/89/1075395889.db2.gz DWFXDSGVCHVPAY-INIZCTEOSA-N 0 0 409.552 1.826 20 0 HDADRN CC(C)(CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)NS(C)(=O)=O ZINC000731587305 1075396041 /nfs/dbraw/zinc/39/60/41/1075396041.db2.gz KJTQLZVWZIWOIQ-UHFFFAOYSA-N 0 0 414.505 1.311 20 0 HDADRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000731588143 1075396752 /nfs/dbraw/zinc/39/67/52/1075396752.db2.gz GUYHNUHXYABELI-LBPRGKRZSA-N 0 0 404.471 1.469 20 0 HDADRN CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC001129184514 1075397342 /nfs/dbraw/zinc/39/73/42/1075397342.db2.gz IMDLDNFTCYBDPY-ZDUSSCGKSA-N 0 0 424.441 1.636 20 0 HDADRN COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[C@H](Cc4cnn(C)c4)C3)n2)cc1 ZINC000548631503 1075397706 /nfs/dbraw/zinc/39/77/06/1075397706.db2.gz OIFZFRULUHGNRR-QGZVFWFLSA-N 0 0 422.489 1.703 20 0 HDADRN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NCCNC(=O)C(C)(C)C 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COc1ccccc1[C@H](O)CNC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000732476861 1075757276 /nfs/dbraw/zinc/75/72/76/1075757276.db2.gz ZVHINALDDNGOLK-TZIWHRDSSA-N 0 0 413.518 1.971 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000448519795 1075757418 /nfs/dbraw/zinc/75/74/18/1075757418.db2.gz LBDLEPPPYOARDK-UHFFFAOYSA-N 0 0 422.449 1.339 20 0 HDADRN CNC(=O)CN(C)C(=O)C(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000732477731 1075757546 /nfs/dbraw/zinc/75/75/46/1075757546.db2.gz FJZNRGZNCSLBCE-UHFFFAOYSA-N 0 0 404.467 1.123 20 0 HDADRN C[C@H](CNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1)COCc1ccccc1 ZINC000468698207 1075757949 /nfs/dbraw/zinc/75/79/49/1075757949.db2.gz GMXJBSYIJPFMQK-QGZVFWFLSA-N 0 0 417.531 2.217 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000488194160 1075757894 /nfs/dbraw/zinc/75/78/94/1075757894.db2.gz OONQTLSPLKKQGH-NDEPHWFRSA-N 0 0 400.508 1.652 20 0 HDADRN Nc1noc(CCNC(=O)Nc2cc(F)c(I)c(F)c2)n1 ZINC000473782628 1075757983 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CCOC(=O)c1cc(C)sc1NC(=O)CN1CCC(CS(C)(=O)=O)CC1 ZINC000429270514 1075760891 /nfs/dbraw/zinc/76/08/91/1075760891.db2.gz XNMJSBDNMGQVMZ-UHFFFAOYSA-N 0 0 402.538 1.928 20 0 HDADRN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000466746524 1075760842 /nfs/dbraw/zinc/76/08/42/1075760842.db2.gz UQLLMGXKVDROKU-ZDUSSCGKSA-N 0 0 409.412 1.948 20 0 HDADRN Nc1noc(CCNc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)n1 ZINC000462108977 1075760927 /nfs/dbraw/zinc/76/09/27/1075760927.db2.gz IYHAUOMDNDFCKW-UHFFFAOYSA-N 0 0 415.523 2.022 20 0 HDADRN COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000429270526 1075761243 /nfs/dbraw/zinc/76/12/43/1075761243.db2.gz GKTBPIHLRXAOMJ-UHFFFAOYSA-N 0 0 410.496 1.086 20 0 HDADRN Nc1nc(C2CC2)ncc1-c1noc(C2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000445597969 1075761319 /nfs/dbraw/zinc/76/13/19/1075761319.db2.gz VJMPRJLSAPBBNN-UHFFFAOYSA-N 0 0 404.438 1.808 20 0 HDADRN Nc1ncncc1-c1noc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000445462530 1075761451 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YDKPKJQOJICCNG-QMTHXVAHSA-N 0 0 413.352 1.212 20 0 HDADRN CN(C[C@@H](O)COCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675580633 1075212306 /nfs/dbraw/zinc/21/23/06/1075212306.db2.gz LOHBKLHGRCIWED-WOJBJXKFSA-N 0 0 403.523 1.997 20 0 HDADRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(N3CCOCC3)nc2C)no1 ZINC000431922983 1075212494 /nfs/dbraw/zinc/21/24/94/1075212494.db2.gz LWSQHWJEBSWDRN-CQSZACIVSA-N 0 0 419.507 2.222 20 0 HDADRN COc1ccc(OC)c(CN(CCO)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000675582320 1075212507 /nfs/dbraw/zinc/21/25/07/1075212507.db2.gz XKXKXWMGSNZRTH-SFHVURJKSA-N 0 0 419.522 1.999 20 0 HDADRN CCOc1ccc(OCCNC(=O)CN2CCC(C3N=NC(=O)N3CC)CC2)cc1 ZINC000675583947 1075213439 /nfs/dbraw/zinc/21/34/39/1075213439.db2.gz YRSAJZRZAWKLIZ-UHFFFAOYSA-N 0 0 417.510 1.777 20 0 HDADRN COCCn1ccc(NC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)n1 ZINC000465258090 1075213770 /nfs/dbraw/zinc/21/37/70/1075213770.db2.gz NOZRPQUKBKURPP-OAHLLOKOSA-N 0 0 403.483 2.195 20 0 HDADRN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[C@H](C)O1 ZINC000675585112 1075213926 /nfs/dbraw/zinc/21/39/26/1075213926.db2.gz CKGVDSQJCSDOBZ-UXLLHSPISA-N 0 0 407.515 1.005 20 0 HDADRN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)C[C@@H](C)O1 ZINC000675585111 1075213956 /nfs/dbraw/zinc/21/39/56/1075213956.db2.gz CKGVDSQJCSDOBZ-INMHGKMJSA-N 0 0 407.515 1.005 20 0 HDADRN COCCn1ccc(NC(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000429079559 1075214335 /nfs/dbraw/zinc/21/43/35/1075214335.db2.gz WWNGLCHANQLWGI-CYBMUJFWSA-N 0 0 411.384 2.475 20 0 HDADRN CCOc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCO2)cc1OCC ZINC000509352346 1075214415 /nfs/dbraw/zinc/21/44/15/1075214415.db2.gz YSTOHBJPIOIDSQ-CQSZACIVSA-N 0 0 400.497 1.448 20 0 HDADRN COCCn1ccc(NC(=O)N[C@H]2CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C2=O)n1 ZINC000443571797 1075214448 /nfs/dbraw/zinc/21/44/48/1075214448.db2.gz RBFJBCHEHRXIEQ-GOEBONIOSA-N 0 0 423.514 1.618 20 0 HDADRN Cc1cc(C)c(NC(=O)CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c(C)c1 ZINC000675584555 1075214539 /nfs/dbraw/zinc/21/45/39/1075214539.db2.gz AIGYTVALKPKDLM-QGZVFWFLSA-N 0 0 413.478 1.681 20 0 HDADRN COc1ccc(CNC(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1OC(F)F ZINC000675586122 1075215165 /nfs/dbraw/zinc/21/51/65/1075215165.db2.gz KOENEGNUJFKLED-CQSZACIVSA-N 0 0 424.404 1.927 20 0 HDADRN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000675586190 1075215171 /nfs/dbraw/zinc/21/51/71/1075215171.db2.gz ZMVXULQZKMGXCT-AWEZNQCLSA-N 0 0 404.369 1.788 20 0 HDADRN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000675586191 1075215210 /nfs/dbraw/zinc/21/52/10/1075215210.db2.gz ZMVXULQZKMGXCT-CQSZACIVSA-N 0 0 404.369 1.788 20 0 HDADRN CCN(C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C3CC3)n(C)n2)C1)CC(F)(F)F ZINC000574557730 1075215340 /nfs/dbraw/zinc/21/53/40/1075215340.db2.gz ZTZKGLMXYJLQFR-LBPRGKRZSA-N 0 0 401.433 1.969 20 0 HDADRN CCN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000645298980 1075215599 /nfs/dbraw/zinc/21/55/99/1075215599.db2.gz PUYCMUUJFWNREA-ZDUSSCGKSA-N 0 0 421.295 2.458 20 0 HDADRN Cc1cc(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)ccc1S(N)(=O)=O ZINC000675585575 1075215691 /nfs/dbraw/zinc/21/56/91/1075215691.db2.gz LGIDPZHGNJMTFC-LBPRGKRZSA-N 0 0 400.403 1.090 20 0 HDADRN O=C(Nc1nnc2ccccn21)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000605199346 1075215952 /nfs/dbraw/zinc/21/59/52/1075215952.db2.gz WBXOIYMWUGDVKA-AWEZNQCLSA-N 0 0 418.454 1.843 20 0 HDADRN O=C(Nc1cnn(CC2CC2)c1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000675586567 1075216127 /nfs/dbraw/zinc/21/61/27/1075216127.db2.gz BVJHRYJLSTUDGU-UHFFFAOYSA-N 0 0 415.881 1.870 20 0 HDADRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000675587047 1075216664 /nfs/dbraw/zinc/21/66/64/1075216664.db2.gz QBWPPJXDEKEGQQ-SFHVURJKSA-N 0 0 401.442 1.489 20 0 HDADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448483800 1075216934 /nfs/dbraw/zinc/21/69/34/1075216934.db2.gz OJGCXJPRUGQHPG-UHFFFAOYSA-N 0 0 414.384 2.450 20 0 HDADRN COCCn1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)n1 ZINC000507124416 1075217114 /nfs/dbraw/zinc/21/71/14/1075217114.db2.gz ZOULEKDVHOKXNK-UHFFFAOYSA-N 0 0 416.550 1.581 20 0 HDADRN CCOc1cc(NC2CCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)CC2)ncn1 ZINC000466687437 1075217183 /nfs/dbraw/zinc/21/71/83/1075217183.db2.gz XBXRRAUJWFCBKJ-CHWSQXEVSA-N 0 0 415.416 1.735 20 0 HDADRN CN1CC(=O)N(c2cccc(NC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)c2)C1=O ZINC000675566934 1075217551 /nfs/dbraw/zinc/21/75/51/1075217551.db2.gz CWBPFCUTFWODLK-INIZCTEOSA-N 0 0 413.478 1.998 20 0 HDADRN CCN(Cc1cccc(NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)c1)C(C)=O ZINC000429114146 1075217777 /nfs/dbraw/zinc/21/77/77/1075217777.db2.gz GLIFHSHQYOHNRF-UHFFFAOYSA-N 0 0 424.461 2.389 20 0 HDADRN O=C(Nc1ccn(CC(=O)N2CCOCC2)n1)Nc1nc(C2CCOCC2)cs1 ZINC000494401559 1075217884 /nfs/dbraw/zinc/21/78/84/1075217884.db2.gz DRVJXJICPLCGHO-UHFFFAOYSA-N 0 0 420.495 1.736 20 0 HDADRN CCN1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000675568250 1075217933 /nfs/dbraw/zinc/21/79/33/1075217933.db2.gz ZVVZZVPJBBORRO-QZTJIDSGSA-N 0 0 401.511 1.630 20 0 HDADRN C[C@H]1OCC[C@@]12CN(C(=O)CN1c3cccc4cccc(c34)S1(=O)=O)CCO2 ZINC000470656267 1075218184 /nfs/dbraw/zinc/21/81/84/1075218184.db2.gz GTDQZNBZSSWECP-JLTOFOAXSA-N 0 0 402.472 1.755 20 0 HDADRN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cccnc3Oc3ccccc3)CCN2C1=O ZINC000675601642 1075218198 /nfs/dbraw/zinc/21/81/98/1075218198.db2.gz YOOSFQYMEJWNAN-INIZCTEOSA-N 0 0 423.429 1.307 20 0 HDADRN O=C(Nc1nc2cc(Cl)ccn2n1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000580803315 1075218883 /nfs/dbraw/zinc/21/88/83/1075218883.db2.gz FMKNNLICSFBKLZ-UHFFFAOYSA-N 0 0 402.817 2.398 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCCO)[C@H]2CCCc3ccccc32)n1 ZINC000441351291 1075219171 /nfs/dbraw/zinc/21/91/71/1075219171.db2.gz CTMBOZJQCHRULV-APWZRJJASA-N 0 0 414.506 2.318 20 0 HDADRN O=C(Nc1nc2cc(Cl)ccn2n1)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000578266670 1075219846 /nfs/dbraw/zinc/21/98/46/1075219846.db2.gz YAVQTIJZHVNMGY-AWEZNQCLSA-N 0 0 402.817 2.444 20 0 HDADRN CCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000675602550 1075220100 /nfs/dbraw/zinc/22/01/00/1075220100.db2.gz FXQSFQPITMMSRT-QGZVFWFLSA-N 0 0 400.479 1.282 20 0 HDADRN COc1c(F)cc(CC(=O)Nc2cn(C)nc2-c2ccccn2)cc1S(N)(=O)=O ZINC000675604382 1075220801 /nfs/dbraw/zinc/22/08/01/1075220801.db2.gz PZSVFJYTXQVRMH-UHFFFAOYSA-N 0 0 419.438 1.458 20 0 HDADRN CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000675603732 1075221220 /nfs/dbraw/zinc/22/12/20/1075221220.db2.gz BIPWDXNWHRXRJW-HNNXBMFYSA-N 0 0 420.897 1.898 20 0 HDADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCC(n3cc(N(C)C)cn3)CC2)no1 ZINC000590402264 1075221236 /nfs/dbraw/zinc/22/12/36/1075221236.db2.gz FCVVLPDPGMISAE-AWEZNQCLSA-N 0 0 420.539 2.169 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)n1 ZINC000426960363 1075222907 /nfs/dbraw/zinc/22/29/07/1075222907.db2.gz QFPQOGNVZJBTLU-ZIAGYGMSSA-N 0 0 406.870 2.362 20 0 HDADRN CC(=O)NCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000675606569 1075222935 /nfs/dbraw/zinc/22/29/35/1075222935.db2.gz GZVLYVCIOMHSSK-GOSISDBHSA-N 0 0 400.479 1.169 20 0 HDADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CC[C@@](CO)(c3ccccc3)C2)no1 ZINC000462980448 1075222995 /nfs/dbraw/zinc/22/29/95/1075222995.db2.gz JDUUHEQPQYLZTA-MGPUTAFESA-N 0 0 403.504 2.206 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCc3ccc(Br)cc3C2)n1 ZINC000560205298 1075223208 /nfs/dbraw/zinc/22/32/08/1075223208.db2.gz ZYZKXYVEUFYPAU-GFCCVEGCSA-N 0 0 421.295 2.376 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)n1 ZINC000551479212 1075223251 /nfs/dbraw/zinc/22/32/51/1075223251.db2.gz SZKYDOFBADVYKK-CWTRNNRKSA-N 0 0 410.396 2.405 20 0 HDADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)NCCN2CCc3ccccc3C2=O)no1 ZINC000466508918 1075223512 /nfs/dbraw/zinc/22/35/12/1075223512.db2.gz SFZPVAHYRLETNJ-AWEZNQCLSA-N 0 0 416.503 1.858 20 0 HDADRN O=C(Nc1ccc(NC(=O)C2CC2)nc1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675606847 1075223831 /nfs/dbraw/zinc/22/38/31/1075223831.db2.gz OXVVQZFHWZUKJO-INIZCTEOSA-N 0 0 413.478 1.276 20 0 HDADRN COc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)ccc1NC(C)=O ZINC000675606631 1075224009 /nfs/dbraw/zinc/22/40/09/1075224009.db2.gz IRWUTDJARFVGPA-MRXNPFEDSA-N 0 0 416.478 1.499 20 0 HDADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)no1 ZINC000502280761 1075224284 /nfs/dbraw/zinc/22/42/84/1075224284.db2.gz MXVDYYCACWRJGW-UONOGXRCSA-N 0 0 402.476 1.965 20 0 HDADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C[S@](C)=O)c2ccccc2)no1 ZINC000461641819 1075225055 /nfs/dbraw/zinc/22/50/55/1075225055.db2.gz JZQAGPWQPNUYJQ-HUAKPZFZSA-N 0 0 409.533 2.279 20 0 HDADRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)no1 ZINC000520970417 1075225093 /nfs/dbraw/zinc/22/50/93/1075225093.db2.gz HJNZTAUCEIIOPD-GOEBONIOSA-N 0 0 418.519 1.859 20 0 HDADRN COCCOc1cccc(CNC(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 ZINC000675588263 1075226084 /nfs/dbraw/zinc/22/60/84/1075226084.db2.gz 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Cc1cc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)nn1C ZINC000439605750 1075227118 /nfs/dbraw/zinc/22/71/18/1075227118.db2.gz BSKLZIANDFGBRU-GOSISDBHSA-N 0 0 422.507 1.831 20 0 HDADRN O=C(Nc1cnn(Cc2ccccc2)c1)C(=O)N[C@H]1CCCc2c1cnn2CCO ZINC000675589206 1075227453 /nfs/dbraw/zinc/22/74/53/1075227453.db2.gz JTQYWULDZBJRFS-SFHVURJKSA-N 0 0 408.462 1.253 20 0 HDADRN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675589443 1075227500 /nfs/dbraw/zinc/22/75/00/1075227500.db2.gz LFVKHJMNPXGBCC-HNAYVOBHSA-N 0 0 415.469 1.782 20 0 HDADRN COCCOc1ccccc1CNC(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000675589111 1075227709 /nfs/dbraw/zinc/22/77/09/1075227709.db2.gz QVDBONQVEWGNQP-QGZVFWFLSA-N 0 0 402.451 1.342 20 0 HDADRN COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)n1 ZINC000425937411 1075227765 /nfs/dbraw/zinc/22/77/65/1075227765.db2.gz LYMKOPGMODIGTM-KUHUBIRLSA-N 0 0 416.478 2.314 20 0 HDADRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)C(=O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000675588891 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1.472 20 0 HDADRN COC[C@H](C)n1ccc(NC(=O)C(=O)NCc2ccc(F)cc2Br)n1 ZINC000426680570 1075246668 /nfs/dbraw/zinc/24/66/68/1075246668.db2.gz OVZMONBQXRNMKP-JTQLQIEISA-N 0 0 413.247 2.247 20 0 HDADRN Cn1cc(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCO[C@H]2C2CC2)cn1 ZINC001005744649 1075246683 /nfs/dbraw/zinc/24/66/83/1075246683.db2.gz GQAYMFCVZYDKBL-QQXKLLMISA-N 0 0 400.523 1.761 20 0 HDADRN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)n1 ZINC000426675475 1075247234 /nfs/dbraw/zinc/24/72/34/1075247234.db2.gz SLFVZMWNQQVQPM-GJZGRUSLSA-N 0 0 413.478 2.033 20 0 HDADRN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)n1 ZINC000426671979 1075247277 /nfs/dbraw/zinc/24/72/77/1075247277.db2.gz YJYCQSQYNVOTLQ-ORAYPTAESA-N 0 0 414.462 2.068 20 0 HDADRN COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000441692187 1075247324 /nfs/dbraw/zinc/24/73/24/1075247324.db2.gz SMDNGDGJIXACOQ-GJZGRUSLSA-N 0 0 410.478 2.401 20 0 HDADRN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)[C@@H](OC)C2CC2)C1=O ZINC001129035995 1075247936 /nfs/dbraw/zinc/24/79/36/1075247936.db2.gz UTGLURYZGLGNHS-NVMYHKGLSA-N 0 0 403.479 1.700 20 0 HDADRN CC(C)(C)S(=O)(=O)Cc1ccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 ZINC000429369233 1075248502 /nfs/dbraw/zinc/24/85/02/1075248502.db2.gz ZIJUPPHBBONKKW-UHFFFAOYSA-N 0 0 417.553 1.413 20 0 HDADRN O=S(=O)(CCNc1ncnc2c1CCCC2)N1CCN(c2ccccn2)CC1 ZINC000675631728 1075248576 /nfs/dbraw/zinc/24/85/76/1075248576.db2.gz YHURPAQQQJCUTC-UHFFFAOYSA-N 0 0 402.524 1.314 20 0 HDADRN CC(C)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000675635453 1075248986 /nfs/dbraw/zinc/24/89/86/1075248986.db2.gz IIGLNHNTZGZRAQ-QGZVFWFLSA-N 0 0 414.487 1.978 20 0 HDADRN COC[C@H](C)n1ccc(NC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)n1 ZINC000555332371 1075249120 /nfs/dbraw/zinc/24/91/20/1075249120.db2.gz UCPJWZIUCBQNEB-LBPRGKRZSA-N 0 0 419.869 2.448 20 0 HDADRN COC[C@H](C)n1ccc(NC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)n1 ZINC000555319670 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CS(=O)(=O)N1CCN(c2ccc(NC(=O)N[C@H]3CCC(F)(F)C3)cn2)CC1 ZINC000675690522 1075254803 /nfs/dbraw/zinc/25/48/03/1075254803.db2.gz KVYNLHSSHZJQRR-LBPRGKRZSA-N 0 0 403.455 1.473 20 0 HDADRN CCNS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000675691712 1075254853 /nfs/dbraw/zinc/25/48/53/1075254853.db2.gz UAKAHDKPFYFFNR-UHFFFAOYSA-N 0 0 402.476 1.592 20 0 HDADRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccnc1-n1cncn1 ZINC000429372132 1075255165 /nfs/dbraw/zinc/25/51/65/1075255165.db2.gz LOSVDAMDUJWSNX-GOSISDBHSA-N 0 0 407.409 1.969 20 0 HDADRN NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000675695477 1075255185 /nfs/dbraw/zinc/25/51/85/1075255185.db2.gz CIGQUAWADIPLMD-UHFFFAOYSA-N 0 0 413.452 1.125 20 0 HDADRN C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C(=O)N1c1cnn(C)c1 ZINC000675696889 1075255357 /nfs/dbraw/zinc/25/53/57/1075255357.db2.gz YJZAYKBZXYAZGG-NHYWBVRUSA-N 0 0 403.464 1.065 20 0 HDADRN C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C(=O)N1c1cnn(C)c1 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MXNFZKHKCZUSCL-UHFFFAOYSA-N 0 0 418.519 1.734 20 0 HDADRN Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000673733495 1073666031 /nfs/dbraw/zinc/66/60/31/1073666031.db2.gz ZKMFYPKDSLVDRV-CHWSQXEVSA-N 0 0 415.460 1.999 20 0 HDADRN COc1cc(NC(=O)CNC(=O)Nc2ccccc2OCCC(N)=O)cc(OC)c1 ZINC000429113770 1073667352 /nfs/dbraw/zinc/66/73/52/1073667352.db2.gz LAGALPIQJMCJSQ-UHFFFAOYSA-N 0 0 416.434 1.718 20 0 HDADRN CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000429115434 1073668509 /nfs/dbraw/zinc/66/85/09/1073668509.db2.gz JTARYEHJJPEMCA-CQSZACIVSA-N 0 0 401.916 1.896 20 0 HDADRN COc1cc(OC)c(CCNC(=O)NCCC2CCS(=O)(=O)CC2)c(OC)c1 ZINC000509127883 1073668576 /nfs/dbraw/zinc/66/85/76/1073668576.db2.gz RNFHUEQHZDOVHO-UHFFFAOYSA-N 0 0 414.524 1.769 20 0 HDADRN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NC[C@@H]2CS(=O)(=O)CCO2)C1 ZINC000509127900 1073668633 /nfs/dbraw/zinc/66/86/33/1073668633.db2.gz XMOSGTOWLCCGDZ-GOEBONIOSA-N 0 0 415.943 1.588 20 0 HDADRN CN(C[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1)S(C)(=O)=O ZINC000509127585 1073669141 /nfs/dbraw/zinc/66/91/41/1073669141.db2.gz XIDMHHGDAHDSKR-SNVBAGLBSA-N 0 0 400.444 1.396 20 0 HDADRN Cn1cc(N2CCN(C(=O)N[C@@H]3CC(=O)N(C)[C@@H]3c3ccc(Cl)cc3)CC2)cn1 ZINC000509127371 1073671181 /nfs/dbraw/zinc/67/11/81/1073671181.db2.gz WVNTZUGKSBTEKK-IEBWSBKVSA-N 0 0 416.913 1.877 20 0 HDADRN Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000766026305 1073673011 /nfs/dbraw/zinc/67/30/11/1073673011.db2.gz NJKCQOMFUBWQQW-ZFWWWQNUSA-N 0 0 423.311 1.334 20 0 HDADRN CN(C)C(=O)CN1CCN(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000028729831 1073674260 /nfs/dbraw/zinc/67/42/60/1073674260.db2.gz SFQVTDOSHYWOEU-JOCHJYFZSA-N 0 0 408.546 1.792 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000429115916 1073675729 /nfs/dbraw/zinc/67/57/29/1073675729.db2.gz PXWGGTNRKCRSJD-CQSZACIVSA-N 0 0 412.512 1.333 20 0 HDADRN CCOc1cccc(NC(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)n1 ZINC000673748662 1073682919 /nfs/dbraw/zinc/68/29/19/1073682919.db2.gz STWXOYKFIICYAB-INIZCTEOSA-N 0 0 409.446 1.969 20 0 HDADRN CC(C)(CNC(=O)NC[C@@H]1CS(=O)(=O)CCO1)c1cccc(Br)c1 ZINC000509134698 1073690169 /nfs/dbraw/zinc/69/01/69/1073690169.db2.gz CXPXFFNHFIQZBZ-CQSZACIVSA-N 0 0 419.341 1.840 20 0 HDADRN O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)Nc1ccon1 ZINC000014285568 1073690551 /nfs/dbraw/zinc/69/05/51/1073690551.db2.gz LYXVJNBVZNEZRF-UHFFFAOYSA-N 0 0 402.835 1.412 20 0 HDADRN C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)NCc4ncn(C)n4)CC3)cc2NC1=O ZINC000509134155 1073691778 /nfs/dbraw/zinc/69/17/78/1073691778.db2.gz BAQAYZBJYHFXCU-GFCCVEGCSA-N 0 0 412.450 1.339 20 0 HDADRN CCOC(=O)[C@](C)(CNC(=O)NCc1ncccc1S(C)(=O)=O)c1ccccc1 ZINC000429125104 1073695449 /nfs/dbraw/zinc/69/54/49/1073695449.db2.gz BNWZYMGVGGIEQV-HXUWFJFHSA-N 0 0 419.503 1.805 20 0 HDADRN O=C(N[C@@H]1CCCS(=O)(=O)C1)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000509138062 1073695483 /nfs/dbraw/zinc/69/54/83/1073695483.db2.gz LNFXKOJCIJIMKT-MRXNPFEDSA-N 0 0 403.504 1.850 20 0 HDADRN CC(=O)N1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000509137570 1073696673 /nfs/dbraw/zinc/69/66/73/1073696673.db2.gz KIVBVOXNCIUWHP-UHFFFAOYSA-N 0 0 420.894 1.068 20 0 HDADRN CS(=O)(=O)N1CCc2cc(C(=O)NCC[C@@H](NC3CC3)C(F)(F)F)ccc21 ZINC001649120813 1073699096 /nfs/dbraw/zinc/69/90/96/1073699096.db2.gz MUACKDGWLOATSE-OAHLLOKOSA-N 0 0 405.442 1.812 20 0 HDADRN COc1cc(OC)c(CNC(=O)C[S@](=O)Cc2ccc(OC)nn2)c(OC)c1 ZINC000509135590 1073700116 /nfs/dbraw/zinc/70/01/16/1073700116.db2.gz GCMICOSKJOSGTA-MUUNZHRXSA-N 0 0 409.464 1.076 20 0 HDADRN O=C(N[C@H](CCCO)c1ccccc1)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000509136803 1073701695 /nfs/dbraw/zinc/70/16/95/1073701695.db2.gz HNNZHPRAMMEUEQ-HXUWFJFHSA-N 0 0 415.534 1.868 20 0 HDADRN CN(C)S(=O)(=O)c1ccccc1CNC(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000673762565 1073701786 /nfs/dbraw/zinc/70/17/86/1073701786.db2.gz XEMFFLMOPAVZMK-UHFFFAOYSA-N 0 0 414.491 1.898 20 0 HDADRN NC(=O)c1cccnc1N1CCN(C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 ZINC000673762559 1073701802 /nfs/dbraw/zinc/70/18/02/1073701802.db2.gz WSQRNAVYOFMRRL-UHFFFAOYSA-N 0 0 406.450 1.174 20 0 HDADRN Cc1cccn2cc(CCNC(=O)NCC3(NS(C)(=O)=O)CCCCC3)nc12 ZINC000673770997 1073703906 /nfs/dbraw/zinc/70/39/06/1073703906.db2.gz XEXVXTPSNZADMH-UHFFFAOYSA-N 0 0 407.540 1.737 20 0 HDADRN O=C(NCCc1csc(NC(=O)c2cnn(CCF)c2)n1)c1cnn(CCF)c1 ZINC000509140032 1073705112 /nfs/dbraw/zinc/70/51/12/1073705112.db2.gz QGYGSLYDIARBOJ-UHFFFAOYSA-N 0 0 423.449 1.700 20 0 HDADRN O=C(NCCOC[C@H]1CCOC1)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000673773369 1073706323 /nfs/dbraw/zinc/70/63/23/1073706323.db2.gz DXLWTJUPDHEZJE-FQEVSTJZSA-N 0 0 403.523 1.820 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000429126642 1073707472 /nfs/dbraw/zinc/70/74/72/1073707472.db2.gz JPQRDPNOTUTFIJ-UHFFFAOYSA-N 0 0 400.439 1.516 20 0 HDADRN CN(C(=O)c1ccc(NC(=O)NC[C@@H](O)COCC2CC2)cc1)C1CCOCC1 ZINC000429126027 1073713113 /nfs/dbraw/zinc/71/31/13/1073713113.db2.gz GYBGPGVFVHHRPH-LJQANCHMSA-N 0 0 405.495 1.847 20 0 HDADRN CNS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000673770405 1073713689 /nfs/dbraw/zinc/71/36/89/1073713689.db2.gz RNTWLNDFKLFDPX-QGZVFWFLSA-N 0 0 405.524 1.244 20 0 HDADRN Cc1cccn2cc(CCNC(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)nc12 ZINC000673770064 1073714343 /nfs/dbraw/zinc/71/43/43/1073714343.db2.gz HAJXVQQVWJZNQH-UHFFFAOYSA-N 0 0 407.478 1.211 20 0 HDADRN CNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCOC(C)(C)C)CC1 ZINC001299286501 1073714760 /nfs/dbraw/zinc/71/47/60/1073714760.db2.gz ZHCHDXAICHJJAK-UHFFFAOYSA-N 0 0 401.515 1.540 20 0 HDADRN NC(=O)CCc1nnc(S(=O)(=O)C[C@@H]2CCCC(F)(F)C2)n1C[C@@H]1CCCO1 ZINC000509146076 1073716738 /nfs/dbraw/zinc/71/67/38/1073716738.db2.gz JXHMJRKELAKYTM-OLZOCXBDSA-N 0 0 420.482 1.474 20 0 HDADRN CNS(=O)(=O)CCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000429132170 1073717677 /nfs/dbraw/zinc/71/76/77/1073717677.db2.gz LIBHNNPJCKTUEG-UHFFFAOYSA-N 0 0 416.244 1.399 20 0 HDADRN CN1CCOc2ccc(NC(=O)C(=O)N3CCN(C(=O)CC(C)(C)C)CC3)cc21 ZINC000673782420 1073718390 /nfs/dbraw/zinc/71/83/90/1073718390.db2.gz MNVPICONJOBNHL-UHFFFAOYSA-N 0 0 402.495 1.561 20 0 HDADRN O=C(Nc1cccc(N2CCCC2=O)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000673782265 1073718891 /nfs/dbraw/zinc/71/88/91/1073718891.db2.gz AWOWCMNPDPQNDI-GOSISDBHSA-N 0 0 400.479 1.075 20 0 HDADRN COCCOc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(C)c1 ZINC000673783507 1073721152 /nfs/dbraw/zinc/72/11/52/1073721152.db2.gz VHPWRVWFJKMARU-GOSISDBHSA-N 0 0 405.495 1.282 20 0 HDADRN CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000673783499 1073721164 /nfs/dbraw/zinc/72/11/64/1073721164.db2.gz VGECGSNZPLMLHP-KRWDZBQOSA-N 0 0 402.495 1.006 20 0 HDADRN CC(=O)Nc1c(C)ccc(NC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)c1C ZINC000673783360 1073721595 /nfs/dbraw/zinc/72/15/95/1073721595.db2.gz KDWWRVJWIINWIG-UHFFFAOYSA-N 0 0 410.474 1.975 20 0 HDADRN COc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000673782979 1073722580 /nfs/dbraw/zinc/72/25/80/1073722580.db2.gz DMUJAUQKGDGRBJ-AWEZNQCLSA-N 0 0 415.412 1.976 20 0 HDADRN CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1 ZINC000673782794 1073723245 /nfs/dbraw/zinc/72/32/45/1073723245.db2.gz GXGWMEHKKFZJHN-UHFFFAOYSA-N 0 0 414.437 1.865 20 0 HDADRN C[C@H](N1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1)C(F)(F)F ZINC000509144761 1073725968 /nfs/dbraw/zinc/72/59/68/1073725968.db2.gz SUUOXUAPUXANJL-GOEBONIOSA-N 0 0 401.429 1.711 20 0 HDADRN Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)cn2)n1 ZINC000673784747 1073726192 /nfs/dbraw/zinc/72/61/92/1073726192.db2.gz JVJHYLJCPUDAOI-SFHVURJKSA-N 0 0 412.494 1.146 20 0 HDADRN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000673785347 1073728811 /nfs/dbraw/zinc/72/88/11/1073728811.db2.gz QYSJZUULERIQRP-VQTJNVASSA-N 0 0 417.506 1.506 20 0 HDADRN COc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)c(OC)cc1Cl ZINC000673785360 1073728887 /nfs/dbraw/zinc/72/88/87/1073728887.db2.gz REHIOBGJTYDTIA-CYBMUJFWSA-N 0 0 411.886 1.619 20 0 HDADRN CCOc1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)cc1OCC 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Cn1ccnc(NC(=O)c2ccc(=O)n(CCOc3ccccc3Cl)c2)c1=O ZINC000507526859 1075701070 /nfs/dbraw/zinc/70/10/70/1075701070.db2.gz GLDOBMTVXHNJMM-UHFFFAOYSA-N 0 0 400.822 1.927 20 0 HDADRN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1nc(N)nc(N(C)C)n1 ZINC000501771052 1075701524 /nfs/dbraw/zinc/70/15/24/1075701524.db2.gz ASBKGUFBDFXWAC-CYBMUJFWSA-N 0 0 409.288 1.628 20 0 HDADRN COc1cccc([C@H](O)CNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000732294459 1075702058 /nfs/dbraw/zinc/70/20/58/1075702058.db2.gz LKTFTYURIATTMZ-ZJPYXAASSA-N 0 0 420.531 1.752 20 0 HDADRN CN(C)C(=O)Cn1ccc(NC(=O)NCCOc2cccc(C(F)(F)F)n2)n1 ZINC000534040969 1075702038 /nfs/dbraw/zinc/70/20/38/1075702038.db2.gz ZOQBSWKQYWKSJG-UHFFFAOYSA-N 0 0 400.361 1.586 20 0 HDADRN COc1cc2nc(NCCNC(=O)c3c(F)cccc3F)nc(N)c2cc1OC ZINC000496902097 1075702156 /nfs/dbraw/zinc/70/21/56/1075702156.db2.gz ZRUJJSRDLUYTQP-UHFFFAOYSA-N 0 0 403.389 1.771 20 0 HDADRN CS(=O)(=O)Nc1ccc(COC(=O)CN2c3ccccc3OCCC2=O)cc1 ZINC000732321128 1075702208 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CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)Cc2csc(-c3nc[nH]n3)n2)c1 ZINC000732342098 1075704171 /nfs/dbraw/zinc/70/41/71/1075704171.db2.gz AKEYHKBERYKHFW-JTQLQIEISA-N 0 0 414.447 2.000 20 0 HDADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000732326581 1075704464 /nfs/dbraw/zinc/70/44/64/1075704464.db2.gz BXROYFGGTJYSBW-HKUYNNGSSA-N 0 0 410.474 1.929 20 0 HDADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)NCCc3nc(N)no3)cc2)C1 ZINC000473677620 1075704592 /nfs/dbraw/zinc/70/45/92/1075704592.db2.gz DERJDSZCGBBZRK-BETUJISGSA-N 0 0 422.511 1.683 20 0 HDADRN O=S(=O)(NC[C@@]1(CCO)CCOC1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000429258208 1075704931 /nfs/dbraw/zinc/70/49/31/1075704931.db2.gz GNBLEVYYIIYHHN-LJQANCHMSA-N 0 0 403.460 1.957 20 0 HDADRN CC(C)CNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC000732328332 1075704995 /nfs/dbraw/zinc/70/49/95/1075704995.db2.gz WEZGRTPVOCLNKQ-KRWDZBQOSA-N 0 0 420.491 1.317 20 0 HDADRN C[C@@H](N[C@H](C)c1ccon1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000543585073 1075705313 /nfs/dbraw/zinc/70/53/13/1075705313.db2.gz GJLYJMXOJKHKEW-ZIAGYGMSSA-N 0 0 408.480 1.373 20 0 HDADRN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc4ccccn4n3)c2)C[C@H](C)O1 ZINC000552993395 1075705565 /nfs/dbraw/zinc/70/55/65/1075705565.db2.gz YLDNLQJRIUKTTB-GASCZTMLSA-N 0 0 414.487 2.385 20 0 HDADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC1(CCO)CC1 ZINC000429257988 1075705577 /nfs/dbraw/zinc/70/55/77/1075705577.db2.gz TXYWQAQBMNGMHP-UHFFFAOYSA-N 0 0 413.496 1.000 20 0 HDADRN Cn1cc(N2CC[C@@H](OC(=O)CCCNC(=O)OCc3ccccc3)C2=O)cn1 ZINC000732330363 1075705616 /nfs/dbraw/zinc/70/56/16/1075705616.db2.gz VDSGWKQTUYHDFJ-QGZVFWFLSA-N 0 0 400.435 1.775 20 0 HDADRN Cn1cc(N2CC[C@@H](OC(=O)c3ccc(Cl)c(NS(C)(=O)=O)c3)C2=O)cn1 ZINC000732332796 1075705923 /nfs/dbraw/zinc/70/59/23/1075705923.db2.gz LFAINZDKLTXPDD-CQSZACIVSA-N 0 0 412.855 1.407 20 0 HDADRN COc1ccc(CN(C)C(=O)COC(=O)c2cnc3c(c2)c(C)nn3CCO)cc1 ZINC000732334294 1075706921 /nfs/dbraw/zinc/70/69/21/1075706921.db2.gz 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1075709682 /nfs/dbraw/zinc/70/96/82/1075709682.db2.gz OGLNKFLBTMYNDD-LLVKDONJSA-N 0 0 412.398 1.622 20 0 HDADRN CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)n1 ZINC000475843667 1075709688 /nfs/dbraw/zinc/70/96/88/1075709688.db2.gz KIEMVSGQFBYCBI-UHFFFAOYSA-N 0 0 411.510 1.673 20 0 HDADRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1=O ZINC000429467316 1075709677 /nfs/dbraw/zinc/70/96/77/1075709677.db2.gz AATKSVJZBRUQHO-MRRJBJDNSA-N 0 0 406.433 1.442 20 0 HDADRN C[C@H](C(=O)N[C@H]1CCc2nc(N)sc2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000565650335 1075709758 /nfs/dbraw/zinc/70/97/58/1075709758.db2.gz WFHMKFLVPUDADC-HIFRSBDPSA-N 0 0 403.527 2.049 20 0 HDADRN Cc1cc(Br)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000429467412 1075710069 /nfs/dbraw/zinc/71/00/69/1075710069.db2.gz JNSOSFMZKFQHLN-UHFFFAOYSA-N 0 0 408.256 1.619 20 0 HDADRN CN(c1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1)S(C)(=O)=O ZINC000732339320 1075710218 /nfs/dbraw/zinc/71/02/18/1075710218.db2.gz 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/nfs/dbraw/zinc/74/72/57/1075747257.db2.gz DWEMXVJCLMEHNX-UHFFFAOYSA-N 0 0 413.459 1.981 20 0 HDADRN Cn1ncc2c1nc(NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)[nH]c2=O ZINC000447671403 1075747463 /nfs/dbraw/zinc/74/74/63/1075747463.db2.gz MNHKKSGHAPIGMU-UHFFFAOYSA-N 0 0 401.370 2.103 20 0 HDADRN Cn1ncc2c1nc(N[C@@H]1CCCN(c3ccc(OC(F)F)cc3)C1=O)[nH]c2=O ZINC000462123462 1075747828 /nfs/dbraw/zinc/74/78/28/1075747828.db2.gz XBKMETVRMUUMFZ-CYBMUJFWSA-N 0 0 404.377 2.278 20 0 HDADRN COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cc(NC(C)=O)ccc2OC)c1 ZINC000732485660 1075747924 /nfs/dbraw/zinc/74/79/24/1075747924.db2.gz VHXLHZJBCHNXMV-QGZVFWFLSA-N 0 0 401.419 1.451 20 0 HDADRN Cc1ccc(Br)c(S(=O)(=O)N2CCN(c3nc(N)ns3)CC2)c1 ZINC000497970734 1075748061 /nfs/dbraw/zinc/74/80/61/1075748061.db2.gz QOBNAAXKIZNNCY-UHFFFAOYSA-N 0 0 418.342 1.702 20 0 HDADRN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)C[C@@H](C)O1 ZINC000732486341 1075748155 /nfs/dbraw/zinc/74/81/55/1075748155.db2.gz LHELTTPEUFMUQJ-KDOFPFPSSA-N 0 0 402.495 1.353 20 0 HDADRN CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)c1 ZINC000555004252 1075748353 /nfs/dbraw/zinc/74/83/53/1075748353.db2.gz TWNQLYNASHHJEB-UHFFFAOYSA-N 0 0 418.500 2.566 20 0 HDADRN CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000732456810 1075748498 /nfs/dbraw/zinc/74/84/98/1075748498.db2.gz LNHUQQQMSZXHDJ-INIZCTEOSA-N 0 0 412.531 1.476 20 0 HDADRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCN(c4nc(N)ns4)CC3)C2)cc1 ZINC000485108452 1075748571 /nfs/dbraw/zinc/74/85/71/1075748571.db2.gz RLACZUXRZJHHNN-INIZCTEOSA-N 0 0 414.535 1.630 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532132177 1075748982 /nfs/dbraw/zinc/74/89/82/1075748982.db2.gz ROPJHDFETUURHX-AWEZNQCLSA-N 0 0 402.499 1.836 20 0 HDADRN O=C(CCNC(=O)N1CCCC[C@@H]1C1OCCO1)N1CCN(c2ccccc2)CC1 ZINC000732457897 1075749375 /nfs/dbraw/zinc/74/93/75/1075749375.db2.gz BPIFQHFMFFFZBZ-LJQANCHMSA-N 0 0 416.522 1.662 20 0 HDADRN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000543688324 1075750259 /nfs/dbraw/zinc/75/02/59/1075750259.db2.gz UTSUKZJNOPGFDZ-QGZVFWFLSA-N 0 0 424.544 1.617 20 0 HDADRN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC1=O ZINC000429475348 1075750302 /nfs/dbraw/zinc/75/03/02/1075750302.db2.gz NOPPOMYTYHBTLQ-OLMNPRSZSA-N 0 0 418.925 1.746 20 0 HDADRN COC(=O)[C@H]1[C@@H](O)CCCN1S(=O)(=O)c1c(Cl)cccc1Br ZINC000509262843 1075750513 /nfs/dbraw/zinc/75/05/13/1075750513.db2.gz ITXCBHFNJUPPPO-WDEREUQCSA-N 0 0 412.689 1.790 20 0 HDADRN CN(C)c1cc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c2ccccc2n1 ZINC000543485917 1075750616 /nfs/dbraw/zinc/75/06/16/1075750616.db2.gz SGGYRPNIQXKOBG-UHFFFAOYSA-N 0 0 408.462 1.608 20 0 HDADRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccn(CCC(N)=O)n2)c1 ZINC000550322629 1075751437 /nfs/dbraw/zinc/75/14/37/1075751437.db2.gz NAHOCGDRIXDVNR-UHFFFAOYSA-N 0 0 405.886 2.327 20 0 HDADRN CNC(=O)c1cc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCCC2=O)ccc1Cl ZINC000732486896 1075751547 /nfs/dbraw/zinc/75/15/47/1075751547.db2.gz DIQPSGVGCTUICM-CQSZACIVSA-N 0 0 420.897 1.642 20 0 HDADRN CN(C)c1ccc(NC(=O)C(=O)NCCNc2ccc(-c3ccccc3)nn2)cn1 ZINC000439019485 1075751744 /nfs/dbraw/zinc/75/17/44/1075751744.db2.gz DJNMWQSILDATIN-UHFFFAOYSA-N 0 0 405.462 1.771 20 0 HDADRN CN(C)c1cccc(CNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)n1 ZINC000550834098 1075752067 /nfs/dbraw/zinc/75/20/67/1075752067.db2.gz DDVHMJGALVUDEW-UHFFFAOYSA-N 0 0 424.427 1.796 20 0 HDADRN CC(C)Cn1c(N2CCOCC2)nn(CN2CCN(C(=O)C3CC3)CC2)c1=S ZINC000732463642 1075752179 /nfs/dbraw/zinc/75/21/79/1075752179.db2.gz KNTAZWSWHCLWIG-UHFFFAOYSA-N 0 0 408.572 1.418 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000534099353 1075752329 /nfs/dbraw/zinc/75/23/29/1075752329.db2.gz XTPONOYTHMKPER-NSHDSACASA-N 0 0 406.450 1.836 20 0 HDADRN Nc1noc(CCNC(=O)C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)n1 ZINC000539207513 1075752335 /nfs/dbraw/zinc/75/23/35/1075752335.db2.gz HKUAUBUFAZRTBI-UHFFFAOYSA-N 0 0 409.450 1.793 20 0 HDADRN Nc1noc(CCNC(=O)C(=O)Nc2cc(F)c(Br)cc2Cl)n1 ZINC000439862131 1075752345 /nfs/dbraw/zinc/75/23/45/1075752345.db2.gz UGGHTDLKTNFVIR-UHFFFAOYSA-N 0 0 406.599 1.504 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000642265146 1075752545 /nfs/dbraw/zinc/75/25/45/1075752545.db2.gz KLVDXIRMMLMSBA-UHFFFAOYSA-N 0 0 402.842 1.607 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN(C)Cc2nncn2C(C)C)c1 ZINC000429269315 1075752976 /nfs/dbraw/zinc/75/29/76/1075752976.db2.gz BHPQJNATTPHLCS-UHFFFAOYSA-N 0 0 422.555 1.960 20 0 HDADRN Cn1nccc1[C@H]1[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)CCC(=O)N1C ZINC000566756735 1075752996 /nfs/dbraw/zinc/75/29/96/1075752996.db2.gz MRAAGFMMHQCEQF-OXQOHEQNSA-N 0 0 407.478 2.149 20 0 HDADRN Nc1noc(CCNC(=O)C(=O)Nc2ccccc2CN2CCc3ccccc32)n1 ZINC000540306275 1075753268 /nfs/dbraw/zinc/75/32/68/1075753268.db2.gz BSIIVADSSIKWIY-UHFFFAOYSA-N 0 0 406.446 1.512 20 0 HDADRN O=C(N[C@H]1CCCS(=O)(=O)C1)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000543688201 1075753659 /nfs/dbraw/zinc/75/36/59/1075753659.db2.gz SPHDEGZRYVOYQO-QWHCGFSZSA-N 0 0 407.414 1.840 20 0 HDADRN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000429268792 1075753904 /nfs/dbraw/zinc/75/39/04/1075753904.db2.gz DGALUMBTNOXCFS-LEWJYISDSA-N 0 0 411.502 1.963 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000483693753 1075754365 /nfs/dbraw/zinc/75/43/65/1075754365.db2.gz BMTUPMCNAHCWMP-AWEZNQCLSA-N 0 0 419.283 1.478 20 0 HDADRN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000429268794 1075754343 /nfs/dbraw/zinc/75/43/43/1075754343.db2.gz DGALUMBTNOXCFS-RTWAWAEBSA-N 0 0 411.502 1.963 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000540900966 1075754592 /nfs/dbraw/zinc/75/45/92/1075754592.db2.gz XWRVOOFXCDBJCL-AWEZNQCLSA-N 0 0 408.384 1.734 20 0 HDADRN Nc1noc(CCNC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)n1 ZINC000482367877 1075755363 /nfs/dbraw/zinc/75/53/63/1075755363.db2.gz OYRDKLCCJGJEMX-UHFFFAOYSA-N 0 0 411.447 1.944 20 0 HDADRN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nccn(C)c2=O)cc1 ZINC000471243489 1075755638 /nfs/dbraw/zinc/75/56/38/1075755638.db2.gz ZHPKUBSDCBHWNS-UHFFFAOYSA-N 0 0 404.492 1.986 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](CC(N)=O)c1cccc(Cl)c1 ZINC000431941203 1075755902 /nfs/dbraw/zinc/75/59/02/1075755902.db2.gz OGKUVHJKVYYWDE-CQSZACIVSA-N 0 0 401.858 1.252 20 0 HDADRN CCS(=O)(=O)N1CCN(C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000732472843 1075756205 /nfs/dbraw/zinc/75/62/05/1075756205.db2.gz JGRJMZGDMYGRMQ-UHFFFAOYSA-N 0 0 408.293 1.765 20 0 HDADRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000543688040 1075756362 /nfs/dbraw/zinc/75/63/62/1075756362.db2.gz QFHZRTMSVAUBOD-YGRLFVJLSA-N 0 0 403.863 1.461 20 0 HDADRN COc1ccc(Cn2cc(C(=O)NCCc3nnc4n3CCCC4)cn2)cc1OC ZINC000429476723 1075756568 /nfs/dbraw/zinc/75/65/68/1075756568.db2.gz QQMOJMCWBUAJFM-UHFFFAOYSA-N 0 0 410.478 1.849 20 0 HDADRN Cc1cc([C@@H]2CCCN2C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)no1 ZINC000732474507 1075756715 /nfs/dbraw/zinc/75/67/15/1075756715.db2.gz QEIAKVQNHNDBAX-HOCLYGCPSA-N 0 0 400.501 1.318 20 0 HDADRN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(OCc3ccc(C)cc3)c2)CCO1 ZINC000732477237 1075756957 /nfs/dbraw/zinc/75/69/57/1075756957.db2.gz ALUCBMFKHYUUBX-LJQANCHMSA-N 0 0 412.442 1.913 20 0 HDADRN CCOC(=O)N[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000732476769 1075757235 /nfs/dbraw/zinc/75/72/35/1075757235.db2.gz VXFHBHPBPUHFGO-VQTJNVASSA-N 0 0 418.538 1.850 20 0 HDADRN Cc1ccc(COc2cccc(NC(=O)C(=O)Nc3cnn(CC(N)=O)c3)c2)cc1 ZINC000732477726 1075757617 /nfs/dbraw/zinc/75/76/17/1075757617.db2.gz FJWNBYINWOJYIX-UHFFFAOYSA-N 0 0 407.430 1.833 20 0 HDADRN Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000732479100 1075757853 /nfs/dbraw/zinc/75/78/53/1075757853.db2.gz IHRNENXIJZHOAZ-QGZVFWFLSA-N 0 0 402.472 1.816 20 0 HDADRN C[C@H](CNc1cc(NC[C@H](C)c2nncn2C)nc2cnccc21)c1nncn1C ZINC000557657033 1075757961 /nfs/dbraw/zinc/75/79/61/1075757961.db2.gz FKXBPNVAVLGVMF-KGLIPLIRSA-N 0 0 406.498 2.318 20 0 HDADRN COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000732479928 1075758422 /nfs/dbraw/zinc/75/84/22/1075758422.db2.gz BEUYWIIRRLTHNT-UHFFFAOYSA-N 0 0 424.417 1.005 20 0 HDADRN CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000732479845 1075758594 /nfs/dbraw/zinc/75/85/94/1075758594.db2.gz DQDXDMCVCUIHAA-UHFFFAOYSA-N 0 0 407.464 1.480 20 0 HDADRN Nc1noc(CCNC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 ZINC000511783661 1075758602 /nfs/dbraw/zinc/75/86/02/1075758602.db2.gz GSLTVUIOLFYORU-CQSZACIVSA-N 0 0 400.266 1.691 20 0 HDADRN CCCCN(C)c1ccc(NC(=O)C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1 ZINC000732481072 1075758867 /nfs/dbraw/zinc/75/88/67/1075758867.db2.gz TWAUDLNHEOAZSH-UHFFFAOYSA-N 0 0 410.540 1.402 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000462921381 1075759249 /nfs/dbraw/zinc/75/92/49/1075759249.db2.gz GNKOZJNBBWEFPZ-HSZRJFAPSA-N 0 0 422.533 2.100 20 0 HDADRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)Nc1ccccc1C(=O)N(C)C ZINC000732482158 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422.384 1.479 20 0 HDADRN COC(=O)COc1cccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000734077663 1076303413 /nfs/dbraw/zinc/30/34/13/1076303413.db2.gz SFTJZNRMERBLHQ-HXUWFJFHSA-N 0 0 422.384 1.479 20 0 HDADRN O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCO[C@@H]2CN(Cc3cc4n(n3)CCCC4)C[C@@H]21 ZINC001083147354 1076303612 /nfs/dbraw/zinc/30/36/12/1076303612.db2.gz FXQJSPBRLKSSIH-NVYAHWSDSA-N 0 0 400.523 1.446 20 0 HDADRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCCCC[C@@H]3C)cc2)CC1 ZINC000734077944 1076303693 /nfs/dbraw/zinc/30/36/93/1076303693.db2.gz VHGKRPLTUNYWBG-KRWDZBQOSA-N 0 0 416.522 1.711 20 0 HDADRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000734097770 1076304311 /nfs/dbraw/zinc/30/43/11/1076304311.db2.gz AFATWHMNAWQKTG-ZIAGYGMSSA-N 0 0 412.581 1.870 20 0 HDADRN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000734079493 1076304492 /nfs/dbraw/zinc/30/44/92/1076304492.db2.gz FUDQAOUIROFYMR-GOSISDBHSA-N 0 0 404.430 1.518 20 0 HDADRN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCO[C@@H]2CN(Cc3ncn(-c4ccccc4)n3)C[C@@H]21 ZINC001083147766 1076304607 /nfs/dbraw/zinc/30/46/07/1076304607.db2.gz CVMGWPSQVJMEOP-VZZKTHKOSA-N 0 0 421.501 1.102 20 0 HDADRN CCCCc1nc(CN2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)no1 ZINC001083148046 1076305024 /nfs/dbraw/zinc/30/50/24/1076305024.db2.gz RNUHFKJMQLQTJT-LOVGTMTESA-N 0 0 402.495 1.247 20 0 HDADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000728017862 1076305343 /nfs/dbraw/zinc/30/53/43/1076305343.db2.gz CJXOYNCGVBKTNB-QRVLFUGVSA-N 0 0 411.549 1.769 20 0 HDADRN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000728021128 1076306718 /nfs/dbraw/zinc/30/67/18/1076306718.db2.gz NPHVKBVETXMJFU-MRHLJLSQSA-N 0 0 403.570 1.127 20 0 HDADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000728021101 1076306793 /nfs/dbraw/zinc/30/67/93/1076306793.db2.gz MPPIPBGRYZLATE-IJZIWBRISA-N 0 0 410.561 1.975 20 0 HDADRN CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](c2ccccc2)C2CC2)c(=O)n(C)c1=O ZINC000766206988 1076306876 /nfs/dbraw/zinc/30/68/76/1076306876.db2.gz WWSSRGHENIOOFF-QGZVFWFLSA-N 0 0 413.474 1.705 20 0 HDADRN O=C(CN1C[C@H]2OCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C1)N1CCCCCCC1 ZINC001083149062 1076308188 /nfs/dbraw/zinc/30/81/88/1076308188.db2.gz WSPVDYMVVKTOSV-VZZKTHKOSA-N 0 0 417.550 1.114 20 0 HDADRN CC(C)N1CC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000734108802 1076308722 /nfs/dbraw/zinc/30/87/22/1076308722.db2.gz HIMYXWDTSZFPEL-INIZCTEOSA-N 0 0 411.499 1.739 20 0 HDADRN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N(C)CCS(C)(=O)=O)cc1 ZINC000728026805 1076309380 /nfs/dbraw/zinc/30/93/80/1076309380.db2.gz DQPGIDDVEPHNKD-HOTGVXAUSA-N 0 0 410.536 1.972 20 0 HDADRN COC(=O)CCN(C[C@H]1CCCO1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000734109229 1076309524 /nfs/dbraw/zinc/30/95/24/1076309524.db2.gz YXLLAAQKOHXYME-QGZVFWFLSA-N 0 0 401.463 1.736 20 0 HDADRN C[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc2ccccc2s1 ZINC000734111360 1076309540 /nfs/dbraw/zinc/30/95/40/1076309540.db2.gz RVPZKVPNJUKNJJ-LLVKDONJSA-N 0 0 412.475 1.311 20 0 HDADRN CN(CCS(C)(=O)=O)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000728026586 1076309673 /nfs/dbraw/zinc/30/96/73/1076309673.db2.gz IUAKATBRZFFNBO-ZDUSSCGKSA-N 0 0 406.426 1.557 20 0 HDADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCC[C@H](C(=O)N(C)C)C3)C2=O)cc1 ZINC000734116282 1076309920 /nfs/dbraw/zinc/30/99/20/1076309920.db2.gz MULGUQRCAZJGQP-YHEJKZAPSA-N 0 0 414.506 1.525 20 0 HDADRN CN(CCS(C)(=O)=O)C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000728026154 1076309858 /nfs/dbraw/zinc/30/98/58/1076309858.db2.gz AJOYPGUHAWFLDK-DTQAZKPQSA-N 0 0 417.516 1.903 20 0 HDADRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1 ZINC000734119790 1076310158 /nfs/dbraw/zinc/31/01/58/1076310158.db2.gz OALKDNFKLVMHHH-KGLIPLIRSA-N 0 0 419.503 1.370 20 0 HDADRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC000734119744 1076310545 /nfs/dbraw/zinc/31/05/45/1076310545.db2.gz NBWIMGAHXWXEBY-MRRJBJDNSA-N 0 0 403.458 1.009 20 0 HDADRN CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 ZINC000728028276 1076311045 /nfs/dbraw/zinc/31/10/45/1076311045.db2.gz CJKTWSTWVXHDRV-NLZINVLXSA-N 0 0 414.506 1.211 20 0 HDADRN CCCCN1C(=O)C[C@H](C(=O)N(C)CCS(C)(=O)=O)[C@H]1c1ccc(OC)cc1 ZINC000728028022 1076311372 /nfs/dbraw/zinc/31/13/72/1076311372.db2.gz TWKKOQKJMJSZCD-PKOBYXMFSA-N 0 0 410.536 1.888 20 0 HDADRN Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CCS(C)(=O)=O ZINC000728028076 1076311481 /nfs/dbraw/zinc/31/14/81/1076311481.db2.gz WFSOZMLUJGOQIA-UHFFFAOYSA-N 0 0 407.418 1.196 20 0 HDADRN CN(CCS(C)(=O)=O)C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000728028039 1076311487 /nfs/dbraw/zinc/31/14/87/1076311487.db2.gz UQJFGJFRMWSONH-PBHICJAKSA-N 0 0 400.497 1.219 20 0 HDADRN CNC(=O)COc1ccc(C(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000727998959 1076312609 /nfs/dbraw/zinc/31/26/09/1076312609.db2.gz OKXDFPFRWLWIPZ-UHFFFAOYSA-N 0 0 422.459 1.290 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(OC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000728000557 1076312900 /nfs/dbraw/zinc/31/29/00/1076312900.db2.gz IWQSIRFMDRZEGN-UHFFFAOYSA-N 0 0 409.489 1.668 20 0 HDADRN CCOC(=O)C1CCN(S(=O)(=O)N[C@H](C(=O)OC)c2cc(F)ccc2F)CC1 ZINC000728059585 1076313833 /nfs/dbraw/zinc/31/38/33/1076313833.db2.gz ZCPOARXRFDZAEY-HNNXBMFYSA-N 0 0 420.434 1.288 20 0 HDADRN COC(=O)c1ccc(CS(=O)(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000728060176 1076314392 /nfs/dbraw/zinc/31/43/92/1076314392.db2.gz OVHDAEHAGARCKT-UHFFFAOYSA-N 0 0 413.473 1.632 20 0 HDADRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000728065382 1076315129 /nfs/dbraw/zinc/31/51/29/1076315129.db2.gz PSUVEPKZKBJYGO-HYLKFUCISA-N 0 0 411.549 1.769 20 0 HDADRN CC1CCC(NS(=O)(=O)CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000728065052 1076315276 /nfs/dbraw/zinc/31/52/76/1076315276.db2.gz LZYRVKYDNCINRE-UHFFFAOYSA-N 0 0 406.508 1.792 20 0 HDADRN C[C@H]1CCc2c(sc(=O)n2CN2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000728041760 1076317583 /nfs/dbraw/zinc/31/75/83/1076317583.db2.gz GQJCSSDHLXVFJZ-KRWDZBQOSA-N 0 0 414.575 1.926 20 0 HDADRN CCC[C@@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000728043655 1076318098 /nfs/dbraw/zinc/31/80/98/1076318098.db2.gz HIFDSNMDDAYBRJ-CQSZACIVSA-N 0 0 406.552 1.195 20 0 HDADRN CCS(=O)(=O)N1CCN(Cn2c3c(sc2=O)C[C@H](C(C)(C)C)CC3)CC1 ZINC000728048474 1076319044 /nfs/dbraw/zinc/31/90/44/1076319044.db2.gz SZCLCROHPOIBHJ-CQSZACIVSA-N 0 0 401.598 1.986 20 0 HDADRN Cn1nc(Br)c2c1ncnc2N1CCN(C(=O)c2ccccn2)CC1 ZINC000728049296 1076319391 /nfs/dbraw/zinc/31/93/91/1076319391.db2.gz AXEMVCVZJDIVBL-UHFFFAOYSA-N 0 0 402.256 1.483 20 0 HDADRN Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[C@@H](CNS(N)(=O)=O)C2)n1 ZINC000728050347 1076319712 /nfs/dbraw/zinc/31/97/12/1076319712.db2.gz BACGRVAYNZZETB-AWEZNQCLSA-N 0 0 401.496 1.133 20 0 HDADRN CCOC(=O)c1sc2[nH]c([C@@H](C)N(C)CCS(C)(=O)=O)nc(=O)c2c1C ZINC000728054819 1076321594 /nfs/dbraw/zinc/32/15/94/1076321594.db2.gz RBEULQLDCQRNAK-SNVBAGLBSA-N 0 0 401.510 1.507 20 0 HDADRN CCOC(=O)C1=C(CN2CCN(Cc3ccccc3OC)CC2)NC(=O)N[C@H]1C ZINC000728055899 1076322718 /nfs/dbraw/zinc/32/27/18/1076322718.db2.gz PYOUNFHBXVYNLD-HNNXBMFYSA-N 0 0 402.495 1.331 20 0 HDADRN CO[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C1 ZINC000728056573 1076322967 /nfs/dbraw/zinc/32/29/67/1076322967.db2.gz WORQULVPIGEDHQ-KRWDZBQOSA-N 0 0 422.551 1.987 20 0 HDADRN Cn1c(N)c(C(=O)CN2CCC[C@@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000728056451 1076323347 /nfs/dbraw/zinc/32/33/47/1076323347.db2.gz WBGIVWWSUSARGN-CYBMUJFWSA-N 0 0 410.396 1.705 20 0 HDADRN COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C=O)CC2)c1 ZINC000728057600 1076323627 /nfs/dbraw/zinc/32/36/27/1076323627.db2.gz GJRAHGHMNNIFBR-UHFFFAOYSA-N 0 0 418.471 1.663 20 0 HDADRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C=O)CC2)C1 ZINC000728058902 1076323794 /nfs/dbraw/zinc/32/37/94/1076323794.db2.gz QIIPMCGJBZZUIO-CALCHBBNSA-N 0 0 407.536 1.310 20 0 HDADRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C=O)CC2)C1 ZINC000728058904 1076323811 /nfs/dbraw/zinc/32/38/11/1076323811.db2.gz QIIPMCGJBZZUIO-IRXDYDNUSA-N 0 0 407.536 1.310 20 0 HDADRN CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000728058319 1076324080 /nfs/dbraw/zinc/32/40/80/1076324080.db2.gz MDGVNDGXDONSTJ-UHFFFAOYSA-N 0 0 414.480 1.743 20 0 HDADRN COc1ccccc1CN1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000728084951 1076324588 /nfs/dbraw/zinc/32/45/88/1076324588.db2.gz WZNPOIWRPAGRLQ-UHFFFAOYSA-N 0 0 423.922 1.954 20 0 HDADRN CS(=O)(=O)Nc1ccc(C=CC(=O)OCC(=O)NCC(=O)c2ccccc2)cc1 ZINC000728087601 1076325517 /nfs/dbraw/zinc/32/55/17/1076325517.db2.gz YNOHSZWFONMKER-FMIVXFBMSA-N 0 0 416.455 1.614 20 0 HDADRN C[C@H]1Oc2ccc(C(=O)COC(=O)CNC(=O)c3ccc(F)cc3F)cc2NC1=O ZINC000728088364 1076325760 /nfs/dbraw/zinc/32/57/60/1076325760.db2.gz HFRIICFUFHJYDL-SNVBAGLBSA-N 0 0 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COC(=O)c1sccc1S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000022608803 1073577258 /nfs/dbraw/zinc/57/72/58/1073577258.db2.gz HTXSYIZXFWJNQT-HNNXBMFYSA-N 0 0 410.517 1.714 20 0 HDADRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000509116646 1073577692 /nfs/dbraw/zinc/57/76/92/1073577692.db2.gz CZRCVDCTKZJHSC-STQMWFEESA-N 0 0 403.451 1.471 20 0 HDADRN COc1cccc(CO[C@@H](C)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000673654992 1073580311 /nfs/dbraw/zinc/58/03/11/1073580311.db2.gz MAPBBRRPTACTKM-RDJZCZTQSA-N 0 0 413.540 1.377 20 0 HDADRN CNC(=O)C1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000027965984 1073582878 /nfs/dbraw/zinc/58/28/78/1073582878.db2.gz BNRVFQNMQNDDBV-GFCCVEGCSA-N 0 0 405.451 1.045 20 0 HDADRN COc1ccc(CN2C[C@H](C(=O)N3CCN(Cc4ccccn4)CC3)CC2=O)cc1 ZINC000509117662 1073583927 /nfs/dbraw/zinc/58/39/27/1073583927.db2.gz NTCKIBAXPZVZMT-LJQANCHMSA-N 0 0 408.502 1.783 20 0 HDADRN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000673655035 1073584411 /nfs/dbraw/zinc/58/44/11/1073584411.db2.gz QVPCUZHINUIWSM-ZDUSSCGKSA-N 0 0 424.445 1.413 20 0 HDADRN C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccccc1 ZINC000014171704 1073589802 /nfs/dbraw/zinc/58/98/02/1073589802.db2.gz ORAICEMZBVRJOK-CYBMUJFWSA-N 0 0 401.444 1.886 20 0 HDADRN CS(=O)(=O)Cc1cccc(CNC(=O)NCCOCC(F)(F)C(F)F)c1 ZINC000429107062 1073593961 /nfs/dbraw/zinc/59/39/61/1073593961.db2.gz YXHJAEPCIRKRRY-UHFFFAOYSA-N 0 0 400.394 1.947 20 0 HDADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1N(C)C ZINC000509121798 1073596076 /nfs/dbraw/zinc/59/60/76/1073596076.db2.gz JAJDKCNANGGTQP-HNNXBMFYSA-N 0 0 403.570 1.353 20 0 HDADRN O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000509122267 1073598198 /nfs/dbraw/zinc/59/81/98/1073598198.db2.gz IQFKFEXNCPNHPM-RTWAWAEBSA-N 0 0 412.486 1.923 20 0 HDADRN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)C2)O1 ZINC001671056053 1073600046 /nfs/dbraw/zinc/60/00/46/1073600046.db2.gz 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C[C@@H](O)C(=O)N1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000766016082 1073604616 /nfs/dbraw/zinc/60/46/16/1073604616.db2.gz NLYKTWOSFAUYKP-NVXWUHKLSA-N 0 0 405.495 1.694 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000429110948 1073608250 /nfs/dbraw/zinc/60/82/50/1073608250.db2.gz CFPJOHQRTMMXKQ-UHFFFAOYSA-N 0 0 405.499 1.071 20 0 HDADRN CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000673659543 1073608786 /nfs/dbraw/zinc/60/87/86/1073608786.db2.gz CQZQUAXTBHMFFJ-HNNXBMFYSA-N 0 0 404.467 1.391 20 0 HDADRN COC(=O)[C@@H]1CCCN(CC(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1=O ZINC001128520453 1073611204 /nfs/dbraw/zinc/61/12/04/1073611204.db2.gz GXNDIDLREDLZQT-QGZVFWFLSA-N 0 0 402.495 1.337 20 0 HDADRN O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000429112099 1073612110 /nfs/dbraw/zinc/61/21/10/1073612110.db2.gz HTWRBMVNWCQQMW-UHFFFAOYSA-N 0 0 421.479 1.038 20 0 HDADRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 ZINC000028254553 1073612651 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ZINC000429326082 1074779050 /nfs/dbraw/zinc/77/90/50/1074779050.db2.gz KDQKZHKNBBQEKX-MQJDWESPSA-N 0 0 409.371 1.904 20 0 HDADRN CN(C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C1CCN(S(C)(=O)=O)CC1 ZINC000675255763 1074779179 /nfs/dbraw/zinc/77/91/79/1074779179.db2.gz CTFQFTBIBWLANN-UHFFFAOYSA-N 0 0 424.519 1.693 20 0 HDADRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000675256602 1074779609 /nfs/dbraw/zinc/77/96/09/1074779609.db2.gz HYGZOTANSJRKAT-GOSISDBHSA-N 0 0 404.492 1.573 20 0 HDADRN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(CNc2ccncn2)c1 ZINC000582377585 1074779732 /nfs/dbraw/zinc/77/97/32/1074779732.db2.gz OMWJHKKUROSQLU-MRXNPFEDSA-N 0 0 409.412 2.082 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)nn1C1CCCCC1 ZINC000580805009 1074780332 /nfs/dbraw/zinc/78/03/32/1074780332.db2.gz JROAXTVGAPZSTL-UHFFFAOYSA-N 0 0 412.429 2.389 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)nn1-c1ccc(C)cc1 ZINC000562442515 1074780563 /nfs/dbraw/zinc/78/05/63/1074780563.db2.gz 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RORLNTHNRGWNDU-HNNXBMFYSA-N 0 0 409.433 1.461 20 0 HDADRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)N2CCN([C@H]3CCOC3)CC2)C1 ZINC000675281459 1074786417 /nfs/dbraw/zinc/78/64/17/1074786417.db2.gz RLZSGCCAHMRSAV-ICSRJNTNSA-N 0 0 403.498 1.540 20 0 HDADRN Cc1c(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001128975210 1074788164 /nfs/dbraw/zinc/78/81/64/1074788164.db2.gz DMUYRLGXHFCNDU-MRXNPFEDSA-N 0 0 412.421 1.293 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)nn1[C@H](C)C1CC1 ZINC000555317549 1074788289 /nfs/dbraw/zinc/78/82/89/1074788289.db2.gz FPXLKJBDDSDUDR-CYBMUJFWSA-N 0 0 404.492 2.452 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(COC(=O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000766102689 1074788962 /nfs/dbraw/zinc/78/89/62/1074788962.db2.gz GYUOZYMWXWZLQU-UHFFFAOYSA-N 0 0 418.519 1.197 20 0 HDADRN Cc1ccncc1[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675292703 1074789010 /nfs/dbraw/zinc/78/90/10/1074789010.db2.gz WTGDMVYYHRYIGU-BLLLJJGKSA-N 0 0 402.401 1.767 20 0 HDADRN O=C(NCc1nccn1C(F)F)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675293766 1074789275 /nfs/dbraw/zinc/78/92/75/1074789275.db2.gz GKEIASSGVYCJCW-LLVKDONJSA-N 0 0 413.331 1.094 20 0 HDADRN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)c2ccccc2O1 ZINC000549355474 1074789641 /nfs/dbraw/zinc/78/96/41/1074789641.db2.gz VMVVTZAGUDCQLT-GOSISDBHSA-N 0 0 420.425 1.837 20 0 HDADRN Cc1cc(F)ccc1CCNC(=O)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000675295061 1074789727 /nfs/dbraw/zinc/78/97/27/1074789727.db2.gz JXVLKRNJXPTMNN-KRWDZBQOSA-N 0 0 419.403 1.993 20 0 HDADRN O=C(COC(=O)[C@H]1CCCN1c1ncnc2sccc21)N1CCOC[C@@H]1C1CC1 ZINC000766102729 1074790068 /nfs/dbraw/zinc/79/00/68/1074790068.db2.gz ZXGKIUQUOIAKGY-HZPDHXFCSA-N 0 0 416.503 1.841 20 0 HDADRN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCC2(CC1)OCc1ccccc12 ZINC000675297274 1074791410 /nfs/dbraw/zinc/79/14/10/1074791410.db2.gz KAMUDOHQAANMLX-UHFFFAOYSA-N 0 0 422.528 1.763 20 0 HDADRN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2nc(C)no2)cc1N1CCCC1=O ZINC000509319600 1074792828 /nfs/dbraw/zinc/79/28/28/1074792828.db2.gz CJWZTABQSDUDAD-AWEZNQCLSA-N 0 0 413.434 1.816 20 0 HDADRN CCC(CC)c1nnc(NC(=O)NCCNS(=O)(=O)Cc2ccon2)s1 ZINC000429251850 1074792861 /nfs/dbraw/zinc/79/28/61/1074792861.db2.gz CFCPEAVUXLGULR-UHFFFAOYSA-N 0 0 402.502 1.671 20 0 HDADRN Cc1cc(NC(=O)C(=O)Nc2ccccc2CN2CCOCC2)nn1[C@H](C)C1CC1 ZINC000559047794 1074793117 /nfs/dbraw/zinc/79/31/17/1074793117.db2.gz OPZMWFHQONAUEW-MRXNPFEDSA-N 0 0 411.506 2.572 20 0 HDADRN CCC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000675304828 1074793315 /nfs/dbraw/zinc/79/33/15/1074793315.db2.gz XCMIXPMHKMYTTM-MRXNPFEDSA-N 0 0 420.897 1.032 20 0 HDADRN COC[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC1 ZINC000675304689 1074793860 /nfs/dbraw/zinc/79/38/60/1074793860.db2.gz IPAQLVNQPOXEMR-GJZGRUSLSA-N 0 0 424.295 1.212 20 0 HDADRN C[C@@]1(CNC(=O)C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCO1 ZINC000675304698 1074793889 /nfs/dbraw/zinc/79/38/89/1074793889.db2.gz IUGTVJMZTPUCEJ-KSSFIOAISA-N 0 0 424.295 1.356 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O=S(=O)(Cc1ccc(Cl)cc1Br)N1CCN2CCOC[C@H]2C1 ZINC000543688042 1075756670 /nfs/dbraw/zinc/75/66/70/1075756670.db2.gz SGPVORUCBZJSLZ-CYBMUJFWSA-N 0 0 409.733 1.949 20 0 HDADRN CN(CC(=O)Nc1cc(-c2nccn2C)[nH]n1)S(=O)(=O)c1ccc(Cl)s1 ZINC000533266167 1075756717 /nfs/dbraw/zinc/75/67/17/1075756717.db2.gz UKSGPTBEWQYFMI-UHFFFAOYSA-N 0 0 414.900 1.784 20 0 HDADRN NC(=O)c1ccc(CSc2ncccc2C(=O)N2CCc3nc(N)ncc3C2)cc1 ZINC000569553311 1075757569 /nfs/dbraw/zinc/75/75/69/1075757569.db2.gz JQRSXEDHRBKMES-UHFFFAOYSA-N 0 0 420.498 2.044 20 0 HDADRN NC(=O)c1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)cc1 ZINC000532974416 1075757609 /nfs/dbraw/zinc/75/76/09/1075757609.db2.gz HFONALJBNMOLAR-UHFFFAOYSA-N 0 0 422.468 1.758 20 0 HDADRN Cc1ccc(COc2cccc(NC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 ZINC000732479099 1075757857 /nfs/dbraw/zinc/75/78/57/1075757857.db2.gz IHRNENXIJZHOAZ-KRWDZBQOSA-N 0 0 402.472 1.816 20 0 HDADRN CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(OCc2ccc(C)cc2)c1 ZINC000732477649 1075757874 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Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC(=O)Nc1cccc2cccnc21 ZINC000505678646 1075761250 /nfs/dbraw/zinc/76/12/50/1075761250.db2.gz RMGUWAFVNHVIIF-UHFFFAOYSA-N 0 0 418.461 1.559 20 0 HDADRN Nc1nc(C2CC2)ncc1-c1noc(CCn2cc(Br)ccc2=O)n1 ZINC000445601885 1075761466 /nfs/dbraw/zinc/76/14/66/1075761466.db2.gz VNMLTLYHEPTUSP-UHFFFAOYSA-N 0 0 403.240 2.153 20 0 HDADRN COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000732483701 1075761590 /nfs/dbraw/zinc/76/15/90/1075761590.db2.gz VWLUAIDBVUHPOO-SFHVURJKSA-N 0 0 409.446 1.681 20 0 HDADRN Cc1nnnn1-c1cccc(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000732483931 1075761609 /nfs/dbraw/zinc/76/16/09/1075761609.db2.gz LNNRUCCIJUYOAO-LBPRGKRZSA-N 0 0 417.470 1.281 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCCN=c1[nH]c2ccccc2s1 ZINC000642223488 1075761740 /nfs/dbraw/zinc/76/17/40/1075761740.db2.gz FCYDXNJSXUIRRH-UHFFFAOYSA-N 0 0 410.507 1.516 20 0 HDADRN COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)c1 ZINC000732483472 1075762058 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CC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)C1=O ZINC000509109905 1073548626 /nfs/dbraw/zinc/54/86/26/1073548626.db2.gz RXRIUNSLIMAQDW-SZNDQCEHSA-N 0 0 415.494 1.451 20 0 HDADRN O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000509109738 1073548659 /nfs/dbraw/zinc/54/86/59/1073548659.db2.gz DHJLYYRKDINWGV-RBUKOAKNSA-N 0 0 410.474 1.323 20 0 HDADRN CCNC(=O)CC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C)cc1C)c1ccccc1 ZINC000509109372 1073549620 /nfs/dbraw/zinc/54/96/20/1073549620.db2.gz RRGMHYLVLUPZTR-SFHVURJKSA-N 0 0 417.531 1.965 20 0 HDADRN COc1cccc(-c2noc(SCC(=O)NCCC(=O)N3CCN(C)CC3)n2)c1 ZINC000544558740 1073549664 /nfs/dbraw/zinc/54/96/64/1073549664.db2.gz NWJYBQRGFVJRRD-UHFFFAOYSA-N 0 0 419.507 1.118 20 0 HDADRN O=C(CN1Cc2ccccc2C1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001004705466 1073554177 /nfs/dbraw/zinc/55/41/77/1073554177.db2.gz MDXPVHPBQBXCHK-XHRSYYEASA-N 0 0 421.497 1.314 20 0 HDADRN CC(=O)Nc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)ccn1 ZINC001004705483 1073554267 /nfs/dbraw/zinc/55/42/67/1073554267.db2.gz MFIZSMZGQHNYMJ-ZWJGCQDNSA-N 0 0 410.474 1.325 20 0 HDADRN Cn1cnc2cc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H]3C[C@@H]5O[C@H]3[C@H]3C[C@H]35)C4)ccc21 ZINC001004704872 1073554336 /nfs/dbraw/zinc/55/43/36/1073554336.db2.gz KCICOIIVWDTNGB-NHPHJAFISA-N 0 0 406.486 1.858 20 0 HDADRN COc1cc(OC)cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)c1 ZINC001004705992 1073554807 /nfs/dbraw/zinc/55/48/07/1073554807.db2.gz QEGNARDEIYSXSU-SFNMYTPWSA-N 0 0 412.486 1.989 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc2cc[nH]cc-2c1=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004706029 1073555427 /nfs/dbraw/zinc/55/54/27/1073555427.db2.gz RHIUGNGQDVSFGJ-ZQUVTRHKSA-N 0 0 420.469 1.208 20 0 HDADRN Cn1nnc2cc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H]3OC[C@@H]5CCC[C@@H]53)C4)ccc21 ZINC001004707083 1073556625 /nfs/dbraw/zinc/55/66/25/1073556625.db2.gz AEIKMXXQTDCUIL-KQDWJIRRSA-N 0 0 409.490 1.645 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(Br)n[nH]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004707070 1073556756 /nfs/dbraw/zinc/55/67/56/1073556756.db2.gz BPHXZMXBPWGSNC-PZDNJGBYSA-N 0 0 421.295 1.457 20 0 HDADRN CN1C(=O)C[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000509110183 1073557142 /nfs/dbraw/zinc/55/71/42/1073557142.db2.gz LWUBOXZYMGLSPF-ZBFHGGJFSA-N 0 0 413.927 1.736 20 0 HDADRN COCc1nc(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cs1 ZINC001004707790 1073558271 /nfs/dbraw/zinc/55/82/71/1073558271.db2.gz JCHBUGOBPAPCMM-JCMIRRHGSA-N 0 0 417.531 1.504 20 0 HDADRN CS(=O)(=O)c1ccc(OCCCC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 ZINC000509111571 1073559872 /nfs/dbraw/zinc/55/98/72/1073559872.db2.gz NEPAURSZWHYTKV-SFHVURJKSA-N 0 0 402.472 1.692 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(n1)OCCO2)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004709122 1073559937 /nfs/dbraw/zinc/55/99/37/1073559937.db2.gz LIRZMQVGCNYCBX-HFAHCNRUSA-N 0 0 411.458 1.138 20 0 HDADRN CCC[C@@H]1C(=O)NCCN1C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000766013377 1073560543 /nfs/dbraw/zinc/56/05/43/1073560543.db2.gz UKNKEJYGWOMYAY-MRXNPFEDSA-N 0 0 420.514 1.591 20 0 HDADRN C[C@H](c1ccccc1Cl)N1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000509111306 1073561740 /nfs/dbraw/zinc/56/17/40/1073561740.db2.gz PJKPSKYSLBCHBY-CABCVRRESA-N 0 0 415.943 1.542 20 0 HDADRN CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000766013260 1073565225 /nfs/dbraw/zinc/56/52/25/1073565225.db2.gz RYJBGINLAGSLKJ-ZDUSSCGKSA-N 0 0 403.888 1.263 20 0 HDADRN CCc1[nH]nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)c1Cl ZINC001004724439 1073566316 /nfs/dbraw/zinc/56/63/16/1073566316.db2.gz HRPDPAUJGAGALL-KTYUWTQASA-N 0 0 404.898 1.911 20 0 HDADRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC000509113370 1073566841 /nfs/dbraw/zinc/56/68/41/1073566841.db2.gz RUQHWESCFGVTMV-LJQANCHMSA-N 0 0 403.479 1.753 20 0 HDADRN CN(C[C@@H]1CCCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)C1)S(C)(=O)=O ZINC000509113503 1073567165 /nfs/dbraw/zinc/56/71/65/1073567165.db2.gz TWGFCMDRPVHUJL-INIZCTEOSA-N 0 0 416.565 1.097 20 0 HDADRN CNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CCOCCCO)CC1 ZINC001299282590 1073569239 /nfs/dbraw/zinc/56/92/39/1073569239.db2.gz PMQQCPXTAIDMHV-UHFFFAOYSA-N 0 0 416.526 1.038 20 0 HDADRN COc1ccn2c(c1)ncc2C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC001004721101 1073570785 /nfs/dbraw/zinc/57/07/85/1073570785.db2.gz HFWJCOCVQOEXSO-UVSJPICJSA-N 0 0 422.485 1.628 20 0 HDADRN Cn1cc(-c2oncc2C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@H]24)C3)cn1 ZINC001004721173 1073571251 /nfs/dbraw/zinc/57/12/51/1073571251.db2.gz JQNKENCQYMVCNP-URFDWSBESA-N 0 0 423.473 1.360 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(Cn2cccn2)o1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004721764 1073571701 /nfs/dbraw/zinc/57/17/01/1073571701.db2.gz NUNYGQVRZGQBCC-AHFPXXHPSA-N 0 0 422.485 1.810 20 0 HDADRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000429098491 1073572931 /nfs/dbraw/zinc/57/29/31/1073572931.db2.gz KLICYECTRDRANF-OWCLPIDISA-N 0 0 410.540 1.846 20 0 HDADRN C[C@H]1CN([C@H](CNC(=O)NCc2ncn(C)n2)c2c(F)cccc2Cl)CCO1 ZINC000509115717 1073573873 /nfs/dbraw/zinc/57/38/73/1073573873.db2.gz ZZTXYRTVDSAJEX-SWLSCSKDSA-N 0 0 410.881 1.869 20 0 HDADRN CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(OC)c(I)n1 ZINC000766014090 1073574540 /nfs/dbraw/zinc/57/45/40/1073574540.db2.gz YVEPFIYOSIUFJO-JTQLQIEISA-N 0 0 403.220 1.436 20 0 HDADRN CC(C)OC(=O)C[C@@H]1CCCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000766015809 1073574803 /nfs/dbraw/zinc/57/48/03/1073574803.db2.gz NIDPRVYUKZCCNJ-HNNXBMFYSA-N 0 0 413.565 1.762 20 0 HDADRN CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000509115260 1073574954 /nfs/dbraw/zinc/57/49/54/1073574954.db2.gz ZQWSWKLKLQDSFK-LLVKDONJSA-N 0 0 418.434 1.889 20 0 HDADRN Cc1nn(C)c2ncc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)[C@@H]3C[C@@H]5O[C@H]3[C@H]3C[C@H]35)C4)cc12 ZINC001004726812 1073577327 /nfs/dbraw/zinc/57/73/27/1073577327.db2.gz OQYRKXVLCBWDCQ-IBHJXPIJSA-N 0 0 421.501 1.562 20 0 HDADRN O=C(CNS(=O)(=O)c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000673653580 1073577773 /nfs/dbraw/zinc/57/77/73/1073577773.db2.gz JWEIIMYQXSEHSH-UHFFFAOYSA-N 0 0 414.487 1.884 20 0 HDADRN CNC(=O)[C@@]1(C)CCN(C(=O)c2nnn(-c3ccccc3Br)c2C)C1 ZINC001128519498 1073578807 /nfs/dbraw/zinc/57/88/07/1073578807.db2.gz CGJZVPYAADOYKE-KRWDZBQOSA-N 0 0 406.284 1.936 20 0 HDADRN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCC1CCS(=O)(=O)CC1 ZINC000509114142 1073579317 /nfs/dbraw/zinc/57/93/17/1073579317.db2.gz VYSPINDMQJPESM-CQSZACIVSA-N 0 0 406.508 1.299 20 0 HDADRN Cc1cc(NC(=O)CN2CCN([C@H](C)C(=O)NCCc3ccccc3C)CC2)no1 ZINC000027968768 1073583628 /nfs/dbraw/zinc/58/36/28/1073583628.db2.gz IHSYBZZATAUAIM-GOSISDBHSA-N 0 0 413.522 1.595 20 0 HDADRN COCCOc1cc(C)ccc1NC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429104867 1073586023 /nfs/dbraw/zinc/58/60/23/1073586023.db2.gz GTCKARLDKQVKRQ-UHFFFAOYSA-N 0 0 412.468 1.249 20 0 HDADRN CNC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ncccc2N(C)C)CC1 ZINC001299283214 1073589109 /nfs/dbraw/zinc/58/91/09/1073589109.db2.gz YCKPNOBVDQVNMK-UHFFFAOYSA-N 0 0 400.531 1.447 20 0 HDADRN CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000028045892 1073590134 /nfs/dbraw/zinc/59/01/34/1073590134.db2.gz PCQYXWQSWIWATE-UHFFFAOYSA-N 0 0 419.459 1.675 20 0 HDADRN COCCc1noc(CS(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)s2)n1 ZINC000509120971 1073590893 /nfs/dbraw/zinc/59/08/93/1073590893.db2.gz HMMKEKYKUJXWCI-UHFFFAOYSA-N 0 0 407.901 1.547 20 0 HDADRN O=C(NCCOCC(F)(F)C(F)F)NC[C@]1(N2CCOCC2)CCSC1 ZINC000429105601 1073591429 /nfs/dbraw/zinc/59/14/29/1073591429.db2.gz SBUWUNOSTWSGAG-CQSZACIVSA-N 0 0 403.442 1.411 20 0 HDADRN COCCc1noc(C[S@](=O)CC(=O)N2CCC(Cc3ccccc3)CC2)n1 ZINC000509121608 1073596056 /nfs/dbraw/zinc/59/60/56/1073596056.db2.gz AVJXYYPNRLZPDY-NDEPHWFRSA-N 0 0 405.520 1.989 20 0 HDADRN O=C(N[C@@H](CCCO)c1ccccc1)C(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000509122269 1073597509 /nfs/dbraw/zinc/59/75/09/1073597509.db2.gz IQFKFEXNCPNHPM-SFTDATJTSA-N 0 0 412.486 1.923 20 0 HDADRN C[C@H](Sc1ccccc1C(=O)NCc1cccc(NS(C)(=O)=O)c1)C(N)=O ZINC000509122114 1073598224 /nfs/dbraw/zinc/59/82/24/1073598224.db2.gz JSAIVTUHDHWSOM-LBPRGKRZSA-N 0 0 407.517 1.954 20 0 HDADRN Cc1noc(C2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000509123882 1073599067 /nfs/dbraw/zinc/59/90/67/1073599067.db2.gz LXYCOOOEZYZQEE-UHFFFAOYSA-N 0 0 421.475 1.719 20 0 HDADRN C[C@H](C(=O)NC1CC1)N1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000028138976 1073600555 /nfs/dbraw/zinc/60/05/55/1073600555.db2.gz SPWMOHDIUMVBDQ-GPMSIDNRSA-N 0 0 400.523 1.300 20 0 HDADRN Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 ZINC000028139009 1073600624 /nfs/dbraw/zinc/60/06/24/1073600624.db2.gz XLRGGPXAKXGJAA-MSOLQXFVSA-N 0 0 402.539 1.163 20 0 HDADRN CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC001299283930 1073604474 /nfs/dbraw/zinc/60/44/74/1073604474.db2.gz GZPXXZVGJDGVOJ-YPMHNXCESA-N 0 0 401.414 1.348 20 0 HDADRN C[C@H](O)C(=O)N1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000766016084 1073604495 /nfs/dbraw/zinc/60/44/95/1073604495.db2.gz NLYKTWOSFAUYKP-RDJZCZTQSA-N 0 0 405.495 1.694 20 0 HDADRN C[C@@H]1CN(c2ccc(NC(=O)N3CCN(c4cnn(C)c4)C(=O)C3)cn2)C[C@H](C)O1 ZINC000429111696 1073613824 /nfs/dbraw/zinc/61/38/24/1073613824.db2.gz TZOYECWXSOUDHL-GASCZTMLSA-N 0 0 413.482 1.309 20 0 HDADRN COC(=O)c1cc(C(=O)N2CCN(c3ccc(Br)cn3)CC2)ccn1 ZINC000429110603 1073614960 /nfs/dbraw/zinc/61/49/60/1073614960.db2.gz BTMVVTIVQUYEHE-UHFFFAOYSA-N 0 0 405.252 1.988 20 0 HDADRN COc1ccccc1[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC000673661512 1073615276 /nfs/dbraw/zinc/61/52/76/1073615276.db2.gz GNOCWHSDPRWUIS-CQSZACIVSA-N 0 0 421.475 1.419 20 0 HDADRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](c3ccco3)C2)s1 ZINC000673667398 1073620175 /nfs/dbraw/zinc/62/01/75/1073620175.db2.gz ODCSRLDWHPTYMA-ZDUSSCGKSA-N 0 0 411.505 1.272 20 0 HDADRN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H](c4ccco4)C3)CC2=O)c1 ZINC000673667883 1073621740 /nfs/dbraw/zinc/62/17/40/1073621740.db2.gz WVTHGCHKJPBOTB-UONOGXRCSA-N 0 0 403.460 1.296 20 0 HDADRN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1noc(-c2cccc(F)c2)n1 ZINC000673670124 1073624631 /nfs/dbraw/zinc/62/46/31/1073624631.db2.gz RIFDNOKTLYHYBE-AWEZNQCLSA-N 0 0 412.443 1.094 20 0 HDADRN O=C(CN1CCCN(C(=O)c2noc(-c3cccc(F)c3)n2)CC1)N1CCCC1 ZINC000673669935 1073625423 /nfs/dbraw/zinc/62/54/23/1073625423.db2.gz SHXBGVABAJVDGB-UHFFFAOYSA-N 0 0 401.442 1.646 20 0 HDADRN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1)N1CCOCC1 ZINC000014209998 1073626729 /nfs/dbraw/zinc/62/67/29/1073626729.db2.gz SCCYIARSGUZYLH-HNNXBMFYSA-N 0 0 417.325 1.851 20 0 HDADRN Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000673671939 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1073898650 /nfs/dbraw/zinc/89/86/50/1073898650.db2.gz HTKVZVXGOPONLS-KRWDZBQOSA-N 0 0 409.464 1.758 20 0 HDADRN COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)N(C)[C@H](C)C3CC3)C2=O)c1 ZINC000673929151 1073900216 /nfs/dbraw/zinc/90/02/16/1073900216.db2.gz QEOKDQXAQWCHSY-FZKQIMNGSA-N 0 0 411.524 1.716 20 0 HDADRN COCCNS(=O)(=O)c1ccc(NC(=O)N[C@H](CO)Cc2cccc(C)c2)cc1 ZINC000466554170 1073901333 /nfs/dbraw/zinc/90/13/33/1073901333.db2.gz ZPSUUYOATUKFSK-SFHVURJKSA-N 0 0 421.519 1.645 20 0 HDADRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)CCCN1CCOCC1 ZINC000766042015 1073903090 /nfs/dbraw/zinc/90/30/90/1073903090.db2.gz DEZXZHYHDCOIBD-IRXDYDNUSA-N 0 0 419.588 1.806 20 0 HDADRN O=C(Nc1nncs1)c1ccc(OS(=O)(=O)CCCN2CCOCC2)cc1 ZINC000766042026 1073904077 /nfs/dbraw/zinc/90/40/77/1073904077.db2.gz DNZBOKDTNVWETC-UHFFFAOYSA-N 0 0 412.493 1.221 20 0 HDADRN CCOC(=O)CCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000029970913 1073906340 /nfs/dbraw/zinc/90/63/40/1073906340.db2.gz 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CC(C)CNC(=O)NC(=O)CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000030264740 1073922794 /nfs/dbraw/zinc/92/27/94/1073922794.db2.gz INJOOTJMXXFKIX-UHFFFAOYSA-N 0 0 412.437 1.528 20 0 HDADRN CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)C1 ZINC001299289625 1073925701 /nfs/dbraw/zinc/92/57/01/1073925701.db2.gz MTWJQDVMVKMRAS-OXJNMPFZSA-N 0 0 405.451 1.876 20 0 HDADRN CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccsc2C(=O)OC)CC1 ZINC000030362338 1073927270 /nfs/dbraw/zinc/92/72/70/1073927270.db2.gz JIGYTQBZQOWRJF-UHFFFAOYSA-N 0 0 410.539 1.017 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](C)(C(=O)OC)C2)c1 ZINC000509175287 1073928378 /nfs/dbraw/zinc/92/83/78/1073928378.db2.gz MJRMONWRFXVXPL-KRWDZBQOSA-N 0 0 418.537 1.291 20 0 HDADRN CC(C)(C)n1cc(NC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cn1 ZINC000484170333 1073930410 /nfs/dbraw/zinc/93/04/10/1073930410.db2.gz XOJIYOHWLVBVNH-UHFFFAOYSA-N 0 0 420.495 1.395 20 0 HDADRN CC[C@@H](C)NC(=O)CCNC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000466562808 1073931998 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ZINC000466566531 1073953012 /nfs/dbraw/zinc/95/30/12/1073953012.db2.gz XYKCWDPOZZRTCC-UKRRQHHQSA-N 0 0 424.343 1.988 20 0 HDADRN CCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1=O ZINC000543514682 1073953015 /nfs/dbraw/zinc/95/30/15/1073953015.db2.gz JAGMYHRZCMNYMM-UHFFFAOYSA-N 0 0 405.454 1.830 20 0 HDADRN COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)C2 ZINC001004983201 1073954092 /nfs/dbraw/zinc/95/40/92/1073954092.db2.gz GOHKSKADWXHGPE-VJTDZRGJSA-N 0 0 402.451 1.194 20 0 HDADRN O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1=O)c1ccn2nnnc2c1 ZINC001128571619 1073956052 /nfs/dbraw/zinc/95/60/52/1073956052.db2.gz BVACABGWDKHFHX-CYBMUJFWSA-N 0 0 401.224 1.422 20 0 HDADRN CNC(=O)[C@@H](NC(=O)N1CCCN(Cc2csc([C@@H](C)OC)n2)CC1)C(C)C ZINC000429177258 1073956201 /nfs/dbraw/zinc/95/62/01/1073956201.db2.gz BHOLVIMHUPVOKS-ZBFHGGJFSA-N 0 0 411.572 1.838 20 0 HDADRN CCS(=O)(=O)Nc1ccc(NC(=O)NCCS(=O)(=O)CC2CC2)cc1C ZINC000766045260 1073956244 /nfs/dbraw/zinc/95/62/44/1073956244.db2.gz ZGRAAKIWQRFOOS-UHFFFAOYSA-N 0 0 403.526 1.703 20 0 HDADRN C=CC(=O)N1CCC(C(=O)N2CCO[C@](C)(C(=O)OCC)C2)(c2ccccc2)CC1 ZINC001649122050 1073956617 /nfs/dbraw/zinc/95/66/17/1073956617.db2.gz OQOITISXAZDGGT-QFIPXVFZSA-N 0 0 414.502 1.913 20 0 HDADRN COc1cc(OC)nc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)n1 ZINC001128571728 1073956626 /nfs/dbraw/zinc/95/66/26/1073956626.db2.gz FMGNHEZVWGVKGJ-GFCCVEGCSA-N 0 0 421.251 1.792 20 0 HDADRN CN(C)C(=O)Cc1ccc(NC(=O)C(=O)NC[C@@](C)(CO)Cc2ccccc2)cc1 ZINC000484380622 1073959250 /nfs/dbraw/zinc/95/92/50/1073959250.db2.gz FGGJMCGUDQCOTK-QHCPKHFHSA-N 0 0 411.502 1.613 20 0 HDADRN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000058134877 1073962750 /nfs/dbraw/zinc/96/27/50/1073962750.db2.gz BJBUHEFIKPCODZ-FQEVSTJZSA-N 0 0 403.504 1.278 20 0 HDADRN CC(C)n1ccc(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC001005014972 1073966522 /nfs/dbraw/zinc/96/65/22/1073966522.db2.gz RJLLFHKTBITYNB-PEZLKRJXSA-N 0 0 401.511 1.156 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1nccc2occc21 ZINC001005034444 1073968558 /nfs/dbraw/zinc/96/85/58/1073968558.db2.gz NEWZZOMZOXHKJS-CEVONXBFSA-N 0 0 411.458 1.741 20 0 HDADRN CCC1(CC)CN(C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCS1(=O)=O ZINC000429179835 1073969151 /nfs/dbraw/zinc/96/91/51/1073969151.db2.gz GZWKROZGMUUISN-UHFFFAOYSA-N 0 0 403.526 1.416 20 0 HDADRN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000030853399 1073970072 /nfs/dbraw/zinc/97/00/72/1073970072.db2.gz WEHMTZKBIQJYQE-LBPRGKRZSA-N 0 0 408.307 1.814 20 0 HDADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN[C@@H](C)c1nnc2ccccn21 ZINC000543517554 1073970087 /nfs/dbraw/zinc/97/00/87/1073970087.db2.gz VDMINLLMHCTMLB-KBXCAEBGSA-N 0 0 420.473 1.762 20 0 HDADRN Cc1ccnc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000509184034 1073970585 /nfs/dbraw/zinc/97/05/85/1073970585.db2.gz LNFRZHCPKIIYQX-UHFFFAOYSA-N 0 0 403.504 1.660 20 0 HDADRN C[C@@](CO)(CNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1)Cc1ccccc1 ZINC000484392819 1073970607 /nfs/dbraw/zinc/97/06/07/1073970607.db2.gz VMLWQMSLORFGGR-QFIPXVFZSA-N 0 0 410.474 1.512 20 0 HDADRN CCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCN2CCOCC2)C1 ZINC000766044898 1073971224 /nfs/dbraw/zinc/97/12/24/1073971224.db2.gz TVBIFYMBNRYGOK-SFHVURJKSA-N 0 0 403.589 1.447 20 0 HDADRN CS(=O)(=O)N1CCc2c1cccc2NC(=O)COCCNC(=O)c1ccccc1 ZINC000543518535 1073971679 /nfs/dbraw/zinc/97/16/79/1073971679.db2.gz VSOVZSDTEGBPGU-UHFFFAOYSA-N 0 0 417.487 1.394 20 0 HDADRN CC(C)NS(=O)(=O)NCCNC(=O)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000429181479 1073974805 /nfs/dbraw/zinc/97/48/05/1073974805.db2.gz KXQJKELTBNSDID-GOSISDBHSA-N 0 0 412.556 1.290 20 0 HDADRN CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000058220084 1073975189 /nfs/dbraw/zinc/97/51/89/1073975189.db2.gz DDQVKCWSPSZGBJ-INIZCTEOSA-N 0 0 407.496 1.516 20 0 HDADRN CCn1nc(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1C1CC1 ZINC000429181454 1073975239 /nfs/dbraw/zinc/97/52/39/1073975239.db2.gz KWONQUYCRHAFRD-UHFFFAOYSA-N 0 0 410.478 1.674 20 0 HDADRN CC(C)(C)CC(C)(C)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000466570886 1073978269 /nfs/dbraw/zinc/97/82/69/1073978269.db2.gz YHFRVITXNYNEOG-UHFFFAOYSA-N 0 0 404.577 1.542 20 0 HDADRN CSCC[C@H](NC(=O)[C@H]1CC(=O)N[C@H](C)C1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000543521811 1073979334 /nfs/dbraw/zinc/97/93/34/1073979334.db2.gz HFDCWYGYANGQEN-WZRBSPASSA-N 0 0 420.491 1.625 20 0 HDADRN CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCN(CC)C(=O)C2)ccc1C ZINC000543521655 1073979360 /nfs/dbraw/zinc/97/93/60/1073979360.db2.gz GIHRURKICALHCY-UHFFFAOYSA-N 0 0 410.540 1.128 20 0 HDADRN NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000543522502 1073979786 /nfs/dbraw/zinc/97/97/86/1073979786.db2.gz NHSGYVCRKDVFKQ-HIFRSBDPSA-N 0 0 422.334 1.809 20 0 HDADRN CC(C)(C(N)=O)N1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000429183012 1073981412 /nfs/dbraw/zinc/98/14/12/1073981412.db2.gz QKRPZKDNHZKYMO-XMSQKQJNSA-N 0 0 420.529 1.491 20 0 HDADRN Cc1[nH]c2ccc(CNC(=O)NCCN3CCN(S(C)(=O)=O)CC3)cc2c1C ZINC000058240232 1073981957 /nfs/dbraw/zinc/98/19/57/1073981957.db2.gz FJOADWMOHUNWSN-UHFFFAOYSA-N 0 0 407.540 1.161 20 0 HDADRN C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000509185263 1073982482 /nfs/dbraw/zinc/98/24/82/1073982482.db2.gz KAJAGTSYJSJHSC-OAHLLOKOSA-N 0 0 406.446 1.266 20 0 HDADRN C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000543523263 1073982485 /nfs/dbraw/zinc/98/24/85/1073982485.db2.gz MJJJEDDAUKXJSU-LBPRGKRZSA-N 0 0 407.517 1.756 20 0 HDADRN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)NC[C@H]2CCCCS2)c1 ZINC000543523115 1073983005 /nfs/dbraw/zinc/98/30/05/1073983005.db2.gz BQPLJKOSNXAEMI-CQSZACIVSA-N 0 0 401.492 1.620 20 0 HDADRN Cc1nc(C2CC2)oc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005046144 1073983418 /nfs/dbraw/zinc/98/34/18/1073983418.db2.gz GAODDUMTFLZTAI-OUWVOHMFSA-N 0 0 415.490 1.774 20 0 HDADRN O=C(Nc1cccnc1N1CCCCC1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000509187122 1073983447 /nfs/dbraw/zinc/98/34/47/1073983447.db2.gz UHNITVJWMWDZBP-QGZVFWFLSA-N 0 0 413.522 1.871 20 0 HDADRN O=C(CN(CCO)CCN1CCOCC1)Nc1ccnn1Cc1ccccc1Cl ZINC000484414237 1073984827 /nfs/dbraw/zinc/98/48/27/1073984827.db2.gz KISPZECHGGEXSX-UHFFFAOYSA-N 0 0 421.929 1.150 20 0 HDADRN COC[C@@H](NC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 ZINC000466571542 1073985810 /nfs/dbraw/zinc/98/58/10/1073985810.db2.gz DATKUNMMPXLILO-OAHLLOKOSA-N 0 0 401.398 1.281 20 0 HDADRN O=C(Nc1ncn(C2CCCCC2)n1)C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000543520737 1073990288 /nfs/dbraw/zinc/99/02/88/1073990288.db2.gz PPVUDLULDAYHEC-UHFFFAOYSA-N 0 0 417.539 1.913 20 0 HDADRN O=C(NC1CCN(c2cccnn2)CC1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000429183277 1073991318 /nfs/dbraw/zinc/99/13/18/1073991318.db2.gz OBQXFWIKWWTSJO-UHFFFAOYSA-N 0 0 410.526 1.962 20 0 HDADRN CS(=O)(=O)CCCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000466572586 1073991743 /nfs/dbraw/zinc/99/17/43/1073991743.db2.gz ILAVOJCNJBEOMD-ZDUSSCGKSA-N 0 0 421.441 1.540 20 0 HDADRN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000766045934 1073992693 /nfs/dbraw/zinc/99/26/93/1073992693.db2.gz FFSQTKYUGHEMBG-AWEZNQCLSA-N 0 0 411.911 1.571 20 0 HDADRN Cn1ccnc1-c1csc(NC(=O)C(=O)NC[C@@](C)(CO)Cc2ccccc2)n1 ZINC000484420102 1073994626 /nfs/dbraw/zinc/99/46/26/1073994626.db2.gz DIEMWMHFEDJODS-FQEVSTJZSA-N 0 0 413.503 1.840 20 0 HDADRN C[C@](CO)(CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1)Cc1ccccc1 ZINC000484421021 1073995508 /nfs/dbraw/zinc/99/55/08/1073995508.db2.gz IAYDXWKOXLMKOY-JOCHJYFZSA-N 0 0 410.474 1.726 20 0 HDADRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC000466575426 1073995957 /nfs/dbraw/zinc/99/59/57/1073995957.db2.gz JLVVQQMRWXGKCG-CVEARBPZSA-N 0 0 404.511 1.742 20 0 HDADRN CCc1nc(CCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cs1 ZINC000543523690 1073996551 /nfs/dbraw/zinc/99/65/51/1073996551.db2.gz ILNIFZRIMNQUHK-UHFFFAOYSA-N 0 0 401.492 1.528 20 0 HDADRN Cc1oc(C2CC2)nc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005049096 1073997427 /nfs/dbraw/zinc/99/74/27/1073997427.db2.gz IRQIHEAUSWQCDJ-OUWVOHMFSA-N 0 0 415.490 1.774 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn2ccccc12)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005049917 1073999906 /nfs/dbraw/zinc/99/99/06/1073999906.db2.gz OQJRHJHADQCTHC-QMIMSRPHSA-N 0 0 409.486 1.853 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccnc1C1CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005050412 1074000171 /nfs/dbraw/zinc/00/01/71/1074000171.db2.gz SKCMGDUKRIQOMU-LAWBPUIWSA-N 0 0 411.502 1.872 20 0 HDADRN CC1(C)[C@@H](O)C[C@@H]1NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000429184298 1074001661 /nfs/dbraw/zinc/00/16/61/1074001661.db2.gz SRNMIWKIXKGOSJ-OALUTQOASA-N 0 0 404.511 1.641 20 0 HDADRN COc1ncccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC001005050862 1074002014 /nfs/dbraw/zinc/00/20/14/1074002014.db2.gz XYRJYVIPZATVKX-YCJBILRDSA-N 0 0 401.463 1.003 20 0 HDADRN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(F)cncc1F)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001005050960 1074002373 /nfs/dbraw/zinc/00/23/73/1074002373.db2.gz YYQQWVFHHKBMSM-SUIPRTGPSA-N 0 0 407.417 1.273 20 0 HDADRN Cc1ccc(CNC(=O)c2cccc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)c2)cc1 ZINC000058317147 1074002385 /nfs/dbraw/zinc/00/23/85/1074002385.db2.gz GWFNRSGSOHVCHT-SFHVURJKSA-N 0 0 408.458 1.529 20 0 HDADRN C[C@H](Sc1ccccc1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1)C(N)=O ZINC000509188352 1074003158 /nfs/dbraw/zinc/00/31/58/1074003158.db2.gz ROTAPHJUFAOSJR-KBPBESRZSA-N 0 0 411.549 1.293 20 0 HDADRN C[C@]1(CCCO)CCCN1C(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000543524907 1074003237 /nfs/dbraw/zinc/00/32/37/1074003237.db2.gz PWHFEQLYPZCZTQ-LJQANCHMSA-N 0 0 409.508 1.319 20 0 HDADRN C[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000429186997 1074006967 /nfs/dbraw/zinc/00/69/67/1074006967.db2.gz YQCCGHAJUBFVEQ-INIZCTEOSA-N 0 0 417.510 1.054 20 0 HDADRN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000031114973 1074006993 /nfs/dbraw/zinc/00/69/93/1074006993.db2.gz URJDQMPNKZHCBC-UHFFFAOYSA-N 0 0 412.490 1.751 20 0 HDADRN NC(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2NC(=O)c2ccc(C(N)=O)s2)s1 ZINC000673992949 1074008542 /nfs/dbraw/zinc/00/85/42/1074008542.db2.gz KZSSPKZQIQKGSL-VHSXEESVSA-N 0 0 420.516 1.336 20 0 HDADRN O=C(Nc1cccc2c1CN(c1ccccn1)C2)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000543529034 1074009302 /nfs/dbraw/zinc/00/93/02/1074009302.db2.gz USIWRTDUYOEQHN-KRWDZBQOSA-N 0 0 407.474 1.083 20 0 HDADRN Cc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c(OCC(F)(F)F)c1 ZINC000543528985 1074009317 /nfs/dbraw/zinc/00/93/17/1074009317.db2.gz RZFBNOYWDUWUOD-CYBMUJFWSA-N 0 0 401.385 1.418 20 0 HDADRN O=C(/C(=C/c1ccco1)n1nnnc1-c1ccccc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000766046278 1074010092 /nfs/dbraw/zinc/01/00/92/1074010092.db2.gz GXFWMCSRGVJMID-CQUHBBLWSA-N 0 0 404.430 1.764 20 0 HDADRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000543527240 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1074218489 /nfs/dbraw/zinc/21/84/89/1074218489.db2.gz QDUSKQADTWIHBU-KRWDZBQOSA-N 0 0 409.446 1.334 20 0 HDADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000674203235 1074219249 /nfs/dbraw/zinc/21/92/49/1074219249.db2.gz JVUDTWWPTYRMKX-MRXNPFEDSA-N 0 0 404.492 1.538 20 0 HDADRN O=C(Nc1cc(N2CCNC2=O)ccc1Cl)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000674205125 1074219343 /nfs/dbraw/zinc/21/93/43/1074219343.db2.gz YIGPBDHVEPCQHQ-AWEZNQCLSA-N 0 0 416.869 1.868 20 0 HDADRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000674203234 1074219417 /nfs/dbraw/zinc/21/94/17/1074219417.db2.gz JVUDTWWPTYRMKX-INIZCTEOSA-N 0 0 404.492 1.538 20 0 HDADRN O=C(Nc1ccccc1-n1cncn1)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000674204496 1074219858 /nfs/dbraw/zinc/21/98/58/1074219858.db2.gz OZUCKZKWZBIWBS-HNNXBMFYSA-N 0 0 404.430 1.407 20 0 HDADRN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CCO)C2)c(C)c1S(=O)(=O)NC1CC1 ZINC000674205479 1074221305 /nfs/dbraw/zinc/22/13/05/1074221305.db2.gz 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ZINC000674217748 1074229976 /nfs/dbraw/zinc/22/99/76/1074229976.db2.gz FPMPHLUNQXNLEA-SFHVURJKSA-N 0 0 424.486 1.926 20 0 HDADRN COc1ccc(NC(=O)C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(OC)n1 ZINC000674200929 1074230778 /nfs/dbraw/zinc/23/07/78/1074230778.db2.gz WATMKXUHAQUSKN-ZDUSSCGKSA-N 0 0 406.483 1.437 20 0 HDADRN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)c(C)c1 ZINC000674199185 1074230786 /nfs/dbraw/zinc/23/07/86/1074230786.db2.gz ZMTXROQSIOAIQY-UHFFFAOYSA-N 0 0 424.505 1.627 20 0 HDADRN Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)cc2)nn1 ZINC000674222917 1074232055 /nfs/dbraw/zinc/23/20/55/1074232055.db2.gz AGOJCVSSLNFAQM-XGWLTEMNSA-N 0 0 409.446 1.641 20 0 HDADRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1C)CC2 ZINC000674222678 1074232394 /nfs/dbraw/zinc/23/23/94/1074232394.db2.gz WMDKPAIBBFUSQC-ROUUACIJSA-N 0 0 417.506 1.979 20 0 HDADRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1nn(-c3ccccc3)cc1C)CC2 ZINC000674222495 1074232428 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402.542 1.470 20 0 HDADRN C[C@H](Cc1ccncc1)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000674231116 1074236334 /nfs/dbraw/zinc/23/63/34/1074236334.db2.gz WOHQMVCZPAYVRM-MRXNPFEDSA-N 0 0 409.490 1.155 20 0 HDADRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1ccncc1 ZINC000674231022 1074236396 /nfs/dbraw/zinc/23/63/96/1074236396.db2.gz VAZKNNTXBDLYFC-AWEZNQCLSA-N 0 0 416.503 1.723 20 0 HDADRN Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCN(c4cc(C)nc(C)n4)CC3)cc12 ZINC000674230444 1074236801 /nfs/dbraw/zinc/23/68/01/1074236801.db2.gz XHSDTLYDLVBEMY-UHFFFAOYSA-N 0 0 422.493 1.407 20 0 HDADRN NC(=O)[C@H]1c2ccccc2CCN1CCOCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000674234629 1074237769 /nfs/dbraw/zinc/23/77/69/1074237769.db2.gz XBZOLMOIGYEXDZ-SZPZYZBQSA-N 0 0 422.529 1.172 20 0 HDADRN O=C(Nc1cccnc1OCc1ccccc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000674219268 1074238514 /nfs/dbraw/zinc/23/85/14/1074238514.db2.gz UEDHQGQVZVZQEQ-OAHLLOKOSA-N 0 0 403.460 1.293 20 0 HDADRN 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20 0 HDADRN COc1ccccc1C1(CNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCC1 ZINC000676462060 1075560575 /nfs/dbraw/zinc/56/05/75/1075560575.db2.gz ZSMVBWGGKKYKNQ-GOSISDBHSA-N 0 0 415.534 1.556 20 0 HDADRN CN1CCN(C(=O)CCNC(=O)N2CCc3sc(Br)cc3C2)CC1 ZINC000676460652 1075560616 /nfs/dbraw/zinc/56/06/16/1075560616.db2.gz RLXCUITYKBRYFC-UHFFFAOYSA-N 0 0 415.357 1.742 20 0 HDADRN C[C@H](CC(=O)N(C)CC(=O)OC(C)(C)C)NS(=O)(=O)c1cccnc1Cl ZINC000731896538 1075561048 /nfs/dbraw/zinc/56/10/48/1075561048.db2.gz JYAFNNFKZKREKH-LLVKDONJSA-N 0 0 405.904 1.592 20 0 HDADRN Cc1nnc(SCC(=O)Nc2ccn(CCC(N)=O)n2)n1-c1cc(C)ccc1C ZINC000522718703 1075561466 /nfs/dbraw/zinc/56/14/66/1075561466.db2.gz HGWIPLJPSRHZPU-UHFFFAOYSA-N 0 0 413.507 1.995 20 0 HDADRN NS(=O)(=O)c1cc(F)cc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000731899607 1075562148 /nfs/dbraw/zinc/56/21/48/1075562148.db2.gz OZJWIDYOURBSEG-UHFFFAOYSA-N 0 0 402.354 1.512 20 0 HDADRN CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@H](O)c2cc(OC)ccc2OC)c1 ZINC000731899402 1075562201 /nfs/dbraw/zinc/56/22/01/1075562201.db2.gz MNOPOFBXUFJBPE-KRWDZBQOSA-N 0 0 423.491 1.775 20 0 HDADRN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000429438346 1075562218 /nfs/dbraw/zinc/56/22/18/1075562218.db2.gz UMMVLHFKNMSMBP-PWSUYJOCSA-N 0 0 402.278 1.796 20 0 HDADRN Cc1ccccc1C[C@@H](CO)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 ZINC000466731538 1075562248 /nfs/dbraw/zinc/56/22/48/1075562248.db2.gz OWNMDSAMUXOCGV-KRWDZBQOSA-N 0 0 416.503 1.584 20 0 HDADRN C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2nc3ccc(F)cc3o2)C1=O ZINC000466731514 1075562249 /nfs/dbraw/zinc/56/22/49/1075562249.db2.gz OLSTYLRJJUNSFS-IBGZPJMESA-N 0 0 407.365 1.910 20 0 HDADRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccc(NC(=O)OC)cc2)CC1 ZINC000731900308 1075562441 /nfs/dbraw/zinc/56/24/41/1075562441.db2.gz OFECZDAQDGSNET-OAHLLOKOSA-N 0 0 421.498 1.556 20 0 HDADRN COCCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(O)c(OC)c2)c1 ZINC000509415971 1075562469 /nfs/dbraw/zinc/56/24/69/1075562469.db2.gz KKMRKIGGADOCRT-UHFFFAOYSA-N 0 0 408.476 1.598 20 0 HDADRN NS(=O)(=O)c1cc(F)cc(NC(=O)NC[C@H](O)COc2cccc(F)c2)c1 ZINC000731899918 1075562754 /nfs/dbraw/zinc/56/27/54/1075562754.db2.gz WZDRFDYMNREVLB-ZDUSSCGKSA-N 0 0 401.391 1.174 20 0 HDADRN CC(C)[C@@H](C(=O)N1CCC(CC(=O)NC2CCCC2)CC1)N1CCCS1(=O)=O ZINC000676471792 1075562947 /nfs/dbraw/zinc/56/29/47/1075562947.db2.gz UPTLLLKFFYPIIV-IBGZPJMESA-N 0 0 413.584 1.734 20 0 HDADRN CC(C)[C@H](C(=O)N1CCC(CC(=O)NC2CCCC2)CC1)N1CCCS1(=O)=O ZINC000676471793 1075562985 /nfs/dbraw/zinc/56/29/85/1075562985.db2.gz UPTLLLKFFYPIIV-LJQANCHMSA-N 0 0 413.584 1.734 20 0 HDADRN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000731902480 1075563127 /nfs/dbraw/zinc/56/31/27/1075563127.db2.gz SQNQEBBTIOLOHJ-HUUCEWRRSA-N 0 0 405.561 1.856 20 0 HDADRN CCN1C(=O)CN(CN2CCN([C@H](C)c3nc(-c4ccc(C)cc4)no3)CC2)C1=O ZINC000731902649 1075563131 /nfs/dbraw/zinc/56/31/31/1075563131.db2.gz JPJQUUFTJSHUOQ-MRXNPFEDSA-N 0 0 412.494 1.965 20 0 HDADRN Cc1nnc2c3ccccc3c(NC[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)nn12 ZINC000574406589 1075563261 /nfs/dbraw/zinc/56/32/61/1075563261.db2.gz WFJPZQJRFYMUNW-OAHLLOKOSA-N 0 0 418.457 2.322 20 0 HDADRN CCOC(=O)c1ccc(N2CCCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)nc1 ZINC000429439866 1075563621 /nfs/dbraw/zinc/56/36/21/1075563621.db2.gz GGWQSIPJHIPTDG-MRXNPFEDSA-N 0 0 415.494 1.243 20 0 HDADRN COc1ccc(OC)c([C@H](O)CNc2ccc(S(=O)(=O)NCC3CC3)cn2)c1 ZINC000731904654 1075563776 /nfs/dbraw/zinc/56/37/76/1075563776.db2.gz ODAXVGIMYYZSGX-QGZVFWFLSA-N 0 0 407.492 1.933 20 0 HDADRN NC(=O)CN(C1CCCC1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000731905595 1075564011 /nfs/dbraw/zinc/56/40/11/1075564011.db2.gz RQDNOFOZEGTDIC-GOSISDBHSA-N 0 0 423.535 1.847 20 0 HDADRN Cc1nnc2n1C[C@@H](CNC(=O)C(=O)Nc1ccn(-c3ccccc3Cl)n1)CC2 ZINC000490464141 1075564207 /nfs/dbraw/zinc/56/42/07/1075564207.db2.gz MUQZFNLBSZVINW-CYBMUJFWSA-N 0 0 413.869 1.743 20 0 HDADRN O=C1CCc2cc(S(=O)(=O)N3CCC(Cn4ccnn4)CC3)cc3c2N1CCC3 ZINC000543674744 1075564853 /nfs/dbraw/zinc/56/48/53/1075564853.db2.gz RWFCHUOOCJGIPO-UHFFFAOYSA-N 0 0 415.519 1.604 20 0 HDADRN COc1ccc(NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c(OC)n1 ZINC000676494007 1075564930 /nfs/dbraw/zinc/56/49/30/1075564930.db2.gz AEPACFFEVXHJGY-UHFFFAOYSA-N 0 0 417.462 1.957 20 0 HDADRN Cc1cccc(C[C@@H](CO)NS(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 ZINC000466731235 1075565292 /nfs/dbraw/zinc/56/52/92/1075565292.db2.gz LSGVFZYCQVSXII-PMACEKPBSA-N 0 0 408.564 1.999 20 0 HDADRN C[C@H]1COCCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000676494923 1075565298 /nfs/dbraw/zinc/56/52/98/1075565298.db2.gz LYIUXAJVRFGRFQ-HNNXBMFYSA-N 0 0 402.538 1.661 20 0 HDADRN C[C@@H](OC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)Nc1cccc2ncccc21 ZINC000731907336 1075565582 /nfs/dbraw/zinc/56/55/82/1075565582.db2.gz DZPSQSNSISWVGR-UGQOVCNZSA-N 0 0 410.430 1.873 20 0 HDADRN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(C)C)nn2)CC1 ZINC000441564379 1075565954 /nfs/dbraw/zinc/56/59/54/1075565954.db2.gz ABPHLBPMDCYTCL-UHFFFAOYSA-N 0 0 423.495 1.908 20 0 HDADRN O=C(CN1CCC[C@H](n2ccnc2)C1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000676478829 1075566117 /nfs/dbraw/zinc/56/61/17/1075566117.db2.gz PHNILIHXVRKEEG-DLBZAZTESA-N 0 0 422.576 1.797 20 0 HDADRN O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)C1CCC2(CC1)NC(=O)NC2=O ZINC000731908377 1075566147 /nfs/dbraw/zinc/56/61/47/1075566147.db2.gz OYJBCXCXTXDTRF-UHFFFAOYSA-N 0 0 404.810 1.160 20 0 HDADRN O=C(COC(=O)c1ccc2nccn2c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000731908407 1075566433 /nfs/dbraw/zinc/56/64/33/1075566433.db2.gz SLTJRFQXBHIZFM-MRXNPFEDSA-N 0 0 405.476 1.449 20 0 HDADRN COC(=O)c1cc(C(=O)Nc2cc(C)c(I)cn2)n(C)n1 ZINC001129221895 1075566658 /nfs/dbraw/zinc/56/66/58/1075566658.db2.gz IJPILROUJZEYQU-UHFFFAOYSA-N 0 0 400.176 1.767 20 0 HDADRN C[C@@H](OC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)N(C)Cc1cccc(F)c1 ZINC000731908873 1075567042 /nfs/dbraw/zinc/56/70/42/1075567042.db2.gz QVQVNPYWFNRHGL-LUSRGHSKSA-N 0 0 405.426 1.484 20 0 HDADRN Cc1noc(C2CCC(NC(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)n1 ZINC000440295457 1075567364 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405.432 1.367 20 0 HDADRN CN(C)S(=O)(=O)CCCOC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000731917349 1075569706 /nfs/dbraw/zinc/56/97/06/1075569706.db2.gz JPABTGPEKMCNBG-UHFFFAOYSA-N 0 0 406.526 1.202 20 0 HDADRN CN(C)S(=O)(=O)CCCOC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000731917185 1075570060 /nfs/dbraw/zinc/57/00/60/1075570060.db2.gz CPAVVDDOEQSWDW-KTKRTIGZSA-N 0 0 408.520 1.763 20 0 HDADRN Cc1noc2nc(C)cc(C(=O)Nc3ncn(CC(=O)NCc4ccccc4)n3)c12 ZINC000506540898 1075570550 /nfs/dbraw/zinc/57/05/50/1075570550.db2.gz LFLKLJPCXZQSTM-UHFFFAOYSA-N 0 0 405.418 2.000 20 0 HDADRN Cc1cc(C[C@H](C)NC(=O)N(C)CCN2CCCS2(=O)=O)n(-c2ccccc2)n1 ZINC000676501744 1075570621 /nfs/dbraw/zinc/57/06/21/1075570621.db2.gz FYQZPZXSXQFXHX-INIZCTEOSA-N 0 0 419.551 1.789 20 0 HDADRN COc1cc(NC(=O)C(C)C)c(C(=O)OCCCS(=O)(=O)N(C)C)cc1OC ZINC000731918153 1075570580 /nfs/dbraw/zinc/57/05/80/1075570580.db2.gz ZWLZBFOGRIQUGR-UHFFFAOYSA-N 0 0 416.496 1.737 20 0 HDADRN O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 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HDADRN CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)CCN2C1=O ZINC000675137996 1074728869 /nfs/dbraw/zinc/72/88/69/1074728869.db2.gz NPLFRDUJFVNHAA-CVEARBPZSA-N 0 0 415.450 1.304 20 0 HDADRN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cc(F)c(C)cc2F)c1 ZINC000675137285 1074729154 /nfs/dbraw/zinc/72/91/54/1074729154.db2.gz AABDQXSACQEBDI-LLVKDONJSA-N 0 0 411.430 1.938 20 0 HDADRN CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(OCC(F)(F)F)nc3)CCN2C1=O ZINC000675138874 1074729192 /nfs/dbraw/zinc/72/91/92/1074729192.db2.gz IBIIVBXBIZIXOY-LLVKDONJSA-N 0 0 401.345 1.523 20 0 HDADRN CCOc1cc2c(cc1NC(=O)N1CCN3C(=O)N(CC)C(=O)[C@@H]3C1)O[C@@H](C)C2 ZINC000675137870 1074729290 /nfs/dbraw/zinc/72/92/90/1074729290.db2.gz KDNRMWBEAKZYHL-WFASDCNBSA-N 0 0 402.451 1.909 20 0 HDADRN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCc2sc(C)nc2C)C1=O ZINC000675125965 1074729938 /nfs/dbraw/zinc/72/99/38/1074729938.db2.gz ZTRLYRWXOUWGQC-ZDUSSCGKSA-N 0 0 402.476 1.306 20 0 HDADRN COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CCOCC3(CCCC3)C2)C1=O ZINC000675125279 1074730624 /nfs/dbraw/zinc/73/06/24/1074730624.db2.gz WKSKKPSCEVLXGM-MRXNPFEDSA-N 0 0 415.490 1.336 20 0 HDADRN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000675125637 1074730659 /nfs/dbraw/zinc/73/06/59/1074730659.db2.gz SUVJAIRDPOLJIF-ZIAGYGMSSA-N 0 0 401.232 1.933 20 0 HDADRN C[C@@H]1CN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C[C@H]1O ZINC000509311079 1074730898 /nfs/dbraw/zinc/73/08/98/1074730898.db2.gz QCIVEQGNQIBRPV-IVMMDQJWSA-N 0 0 418.353 1.882 20 0 HDADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000580779202 1074730925 /nfs/dbraw/zinc/73/09/25/1074730925.db2.gz CKJYDMZTAJCIMQ-GXTWGEPZSA-N 0 0 402.417 1.686 20 0 HDADRN O=C(NCCCNc1ccc(C(F)(F)F)cn1)C(=O)Nc1cccc2c1CNC2=O ZINC000498205808 1074731365 /nfs/dbraw/zinc/73/13/65/1074731365.db2.gz VWQXJVXOLKWIHV-UHFFFAOYSA-N 0 0 421.379 1.901 20 0 HDADRN CC1(C)CN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ccccc21 ZINC000675127058 1074732370 /nfs/dbraw/zinc/73/23/70/1074732370.db2.gz ZOEKKVIMYYRGCT-DLBZAZTESA-N 0 0 406.548 1.979 20 0 HDADRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)C2=O)c1 ZINC000429319261 1074732408 /nfs/dbraw/zinc/73/24/08/1074732408.db2.gz ULJKAXOTQWHODS-CXAGYDPISA-N 0 0 418.494 1.508 20 0 HDADRN CCCN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000429319303 1074732455 /nfs/dbraw/zinc/73/24/55/1074732455.db2.gz QZLJZUMTROMKIH-CVEARBPZSA-N 0 0 416.544 1.719 20 0 HDADRN Cc1cc(NC(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)nn1-c1cc(C)cc(C)c1 ZINC000583940174 1074732809 /nfs/dbraw/zinc/73/28/09/1074732809.db2.gz UACSVPQVFKVXGZ-HZPDHXFCSA-N 0 0 418.519 1.770 20 0 HDADRN CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O)c1nccs1 ZINC000675127758 1074733022 /nfs/dbraw/zinc/73/30/22/1074733022.db2.gz YFSHTEKAPHWJEX-OLZOCXBDSA-N 0 0 402.476 1.641 20 0 HDADRN COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCCCn2ccnc2C)C1=O ZINC000675127763 1074733058 /nfs/dbraw/zinc/73/30/58/1074733058.db2.gz ZPDXHUDNYGIATQ-INIZCTEOSA-N 0 0 413.478 1.018 20 0 HDADRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000675127397 1074733764 /nfs/dbraw/zinc/73/37/64/1074733764.db2.gz MSCGYWAPNFLHJD-IYBDPMFKSA-N 0 0 423.535 1.467 20 0 HDADRN O=C(Nc1cc(Br)cnc1-n1cccn1)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000675128053 1074734042 /nfs/dbraw/zinc/73/40/42/1074734042.db2.gz UWVVTMFKCVUXLB-BJHJDKERSA-N 0 0 422.283 1.636 20 0 HDADRN NC(=O)CCOc1ccccc1NC(=O)C(=O)N[C@H]1COc2c1cccc2Cl ZINC000675129050 1074734066 /nfs/dbraw/zinc/73/40/66/1074734066.db2.gz GOWZSIONAHRDEP-AWEZNQCLSA-N 0 0 403.822 1.783 20 0 HDADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](CO)CC3)cc2)C[C@@H](C)O1 ZINC000675128103 1074734110 /nfs/dbraw/zinc/73/41/10/1074734110.db2.gz XVDZUIIPINNVGS-KONPQCLYSA-N 0 0 417.506 1.542 20 0 HDADRN Cc1cccc(S(=O)(=O)CCCOC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000766159674 1074734263 /nfs/dbraw/zinc/73/42/63/1074734263.db2.gz MHCJABBVHOKLLP-UHFFFAOYSA-N 0 0 422.503 1.957 20 0 HDADRN CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CO)CC2)c1 ZINC000675128527 1074734925 /nfs/dbraw/zinc/73/49/25/1074734925.db2.gz RAJOBKIEWNEFMH-WOVMCDHWSA-N 0 0 405.495 1.449 20 0 HDADRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)C1 ZINC000429320588 1074735119 /nfs/dbraw/zinc/73/51/19/1074735119.db2.gz YAGWGFAVRBKLTH-KZNAEPCWSA-N 0 0 421.586 1.218 20 0 HDADRN COc1ccccc1N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCOC3(CCC3)C2)C1=O ZINC000675129799 1074735553 /nfs/dbraw/zinc/73/55/53/1074735553.db2.gz QZPVBDWLMOUGLF-CABCVRRESA-N 0 0 401.463 1.135 20 0 HDADRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H]2COc3c2cccc3Cl)c1 ZINC000675129438 1074735851 /nfs/dbraw/zinc/73/58/51/1074735851.db2.gz RZMGPCCHCWDZDK-HNNXBMFYSA-N 0 0 423.878 1.745 20 0 HDADRN COCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc3c(c1)CCCN3C(C)=O)CC2 ZINC000675130338 1074736168 /nfs/dbraw/zinc/73/61/68/1074736168.db2.gz DWSBSOMKXZHTQT-OAHLLOKOSA-N 0 0 419.507 1.017 20 0 HDADRN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000766091268 1074736558 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403.446 1.821 20 0 HDADRN Cc1cc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)nn1-c1cccc(Cl)c1 ZINC000540743457 1074739531 /nfs/dbraw/zinc/73/95/31/1074739531.db2.gz ZDQXBUSEPTUGPR-UHFFFAOYSA-N 0 0 403.870 1.935 20 0 HDADRN O=C(NCCN1CCN(c2ccc(F)cc2)CC1)Nc1ncn(Cc2ccccc2)n1 ZINC000588254534 1074741044 /nfs/dbraw/zinc/74/10/44/1074741044.db2.gz VIWRXTHUOACJRB-UHFFFAOYSA-N 0 0 423.496 2.409 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(COC(=O)CCNC(=O)OCC(F)(F)F)cc1 ZINC000766092463 1074741178 /nfs/dbraw/zinc/74/11/78/1074741178.db2.gz LZVIBEWGMTUHOK-UHFFFAOYSA-N 0 0 412.386 1.659 20 0 HDADRN CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CCN2C1=O ZINC000675141484 1074741191 /nfs/dbraw/zinc/74/11/91/1074741191.db2.gz URNJWPXTMMKFIL-QGZVFWFLSA-N 0 0 413.478 1.731 20 0 HDADRN CNS(=O)(=O)c1ccc(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc1 ZINC000675141556 1074741303 /nfs/dbraw/zinc/74/13/03/1074741303.db2.gz JTCXHHBESVBMDE-UHFFFAOYSA-N 0 0 409.489 1.246 20 0 HDADRN CC1(C)CCN(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCS1(=O)=O ZINC000447659835 1074741316 /nfs/dbraw/zinc/74/13/16/1074741316.db2.gz BWNICYIUHGZEGW-UHFFFAOYSA-N 0 0 422.473 2.511 20 0 HDADRN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C)C3CCC(CO)CC3)C2=O)cc1 ZINC000675142950 1074741659 /nfs/dbraw/zinc/74/16/59/1074741659.db2.gz OTGWMODXAKQNJV-ACBHZAAOSA-N 0 0 401.507 1.222 20 0 HDADRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000675142303 1074741954 /nfs/dbraw/zinc/74/19/54/1074741954.db2.gz JAILEYPWRIELIV-OAHLLOKOSA-N 0 0 417.466 1.287 20 0 HDADRN Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](Cc4cnn(C)c4)C3)C2=O)cc1 ZINC000675142880 1074741971 /nfs/dbraw/zinc/74/19/71/1074741971.db2.gz CIZMWRUAACBSAY-ICSRJNTNSA-N 0 0 423.517 1.037 20 0 HDADRN Cc1cc(NC(=O)C(=O)NCCC2(O)CCOCC2)nn1-c1cc(C)cc(C)c1 ZINC000506967527 1074742046 /nfs/dbraw/zinc/74/20/46/1074742046.db2.gz HARGINBYBKUAOE-UHFFFAOYSA-N 0 0 400.479 1.784 20 0 HDADRN O=C(NCCNC(=O)c1ccccc1Cl)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000448513546 1074743186 /nfs/dbraw/zinc/74/31/86/1074743186.db2.gz HIWCJYSMUFXRFN-UHFFFAOYSA-N 0 0 417.775 1.584 20 0 HDADRN O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1csc(NC2CC2)n1 ZINC000442975336 1074744040 /nfs/dbraw/zinc/74/40/40/1074744040.db2.gz JXYABTPDSJVBEL-UHFFFAOYSA-N 0 0 418.903 2.218 20 0 HDADRN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCC(OCCCO)CC1 ZINC000675148769 1074745076 /nfs/dbraw/zinc/74/50/76/1074745076.db2.gz LUXHMQPZTYUDIT-KRWDZBQOSA-N 0 0 410.536 1.477 20 0 HDADRN Cc1cnc([C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)s1 ZINC000675162433 1074745923 /nfs/dbraw/zinc/74/59/23/1074745923.db2.gz BWHKHAFHOAYULR-WMLDXEAASA-N 0 0 414.531 1.897 20 0 HDADRN COc1ccccc1CNC(=O)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000670494199 1074746318 /nfs/dbraw/zinc/74/63/18/1074746318.db2.gz WNSLAIRINZGFDJ-UHFFFAOYSA-N 0 0 419.522 1.481 20 0 HDADRN CCS(=O)(=O)Nc1ccc(NC(=O)N(C)Cc2nc(CCOC)no2)cc1C ZINC000675163483 1074746394 /nfs/dbraw/zinc/74/63/94/1074746394.db2.gz XIHREFKOANAQGM-UHFFFAOYSA-N 0 0 411.484 1.992 20 0 HDADRN 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417.510 1.624 20 0 HDADRN Cc1c(NC(=O)C(=O)N2CCC(OCCCO)CC2)cnn1-c1ccccc1F ZINC000676454689 1075559501 /nfs/dbraw/zinc/55/95/01/1075559501.db2.gz XXDGUOLBCIBYHA-UHFFFAOYSA-N 0 0 404.442 1.648 20 0 HDADRN Cc1c(NC(=O)COc2ccc(S(N)(=O)=O)cc2)cnn1-c1ccccc1F ZINC000676457004 1075559937 /nfs/dbraw/zinc/55/99/37/1075559937.db2.gz MPFKNLXUXHOATQ-UHFFFAOYSA-N 0 0 404.423 1.985 20 0 HDADRN COc1ccc([C@@H](NC(=O)CN2CCN(c3nccn(C)c3=O)CC2)C2CC2)cc1 ZINC000466731880 1075559984 /nfs/dbraw/zinc/55/99/84/1075559984.db2.gz VAHLMRMPNBQQDT-FQEVSTJZSA-N 0 0 411.506 1.178 20 0 HDADRN CCc1ccc([C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000804159985 1075560138 /nfs/dbraw/zinc/56/01/38/1075560138.db2.gz PRXGICFUDORTKO-LIRRHRJNSA-N 0 0 406.504 1.774 20 0 HDADRN O=C(CN1CCC[C@@H](n2ccnc2)C1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000676478393 1075560148 /nfs/dbraw/zinc/56/01/48/1075560148.db2.gz NIKXOOANVKBLPW-RTBURBONSA-N 0 0 408.568 1.868 20 0 HDADRN CC(C)C(=O)N1CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 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Cc1nnc2c3ccccc3c(NC[C@H](O)COc3ccc4c(c3)CCC(=O)N4)nn12 ZINC000574406588 1075563325 /nfs/dbraw/zinc/56/33/25/1075563325.db2.gz WFJPZQJRFYMUNW-HNNXBMFYSA-N 0 0 418.457 2.322 20 0 HDADRN O=S1(=O)CC[C@H](N2CCN(Cn3ncc4c3cccc4Br)CC2)C1 ZINC000731902763 1075563357 /nfs/dbraw/zinc/56/33/57/1075563357.db2.gz MRELWVPRYBKLCU-ZDUSSCGKSA-N 0 0 413.341 1.561 20 0 HDADRN Cc1cc(S(=O)(=O)NCCNC(=O)N2CCC[C@H](n3ccnc3)C2)c(C)s1 ZINC000676472584 1075563795 /nfs/dbraw/zinc/56/37/95/1075563795.db2.gz FWJBJVPQWNSSEV-HNNXBMFYSA-N 0 0 411.553 1.886 20 0 HDADRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)c2ccnc3c2nnn3C)CC1 ZINC000509415531 1075563891 /nfs/dbraw/zinc/56/38/91/1075563891.db2.gz KKQMQULXLDOLKQ-OAHLLOKOSA-N 0 0 422.489 1.678 20 0 HDADRN NC(=O)CC1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000731905547 1075563964 /nfs/dbraw/zinc/56/39/64/1075563964.db2.gz OXWAENCCIQVEBU-GOSISDBHSA-N 0 0 423.535 1.705 20 0 HDADRN C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000052395121 1075564186 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HDADRN CC(=O)NCCc1ccc(S(=O)(=O)NCCc2cn3cccc(C)c3n2)cc1 ZINC000673823736 1073767307 /nfs/dbraw/zinc/76/73/07/1073767307.db2.gz SKGQZRLZSYBMKK-UHFFFAOYSA-N 0 0 400.504 1.842 20 0 HDADRN COc1cc(OC)cc([C@H](NC(=O)c2ccc(-n3cnnn3)cc2)c2nccn2C)c1 ZINC000029130245 1073767865 /nfs/dbraw/zinc/76/78/65/1073767865.db2.gz UIDCLKQGDVABKN-IBGZPJMESA-N 0 0 419.445 1.932 20 0 HDADRN Cc1cccn2cc(CCNS(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)nc12 ZINC000673823835 1073768924 /nfs/dbraw/zinc/76/89/24/1073768924.db2.gz UAIAQODZUBLOAY-UHFFFAOYSA-N 0 0 401.492 1.728 20 0 HDADRN C[C@@H]1CCN(Cc2ccccc2)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000673825448 1073769524 /nfs/dbraw/zinc/76/95/24/1073769524.db2.gz XNBDSVBOYDXPDG-QGZVFWFLSA-N 0 0 412.519 1.947 20 0 HDADRN O=C1[C@@H](NS(=O)(=O)Cc2cc(-c3ccccc3)no2)CCN1C1CCOCC1 ZINC000673825759 1073771085 /nfs/dbraw/zinc/77/10/85/1073771085.db2.gz TUMHTVLGJLOPCV-KRWDZBQOSA-N 0 0 405.476 1.541 20 0 HDADRN O=C1[C@H](NS(=O)(=O)Cc2cc(-c3ccccc3)no2)CCN1C1CCOCC1 ZINC000673825760 1073771254 /nfs/dbraw/zinc/77/12/54/1073771254.db2.gz TUMHTVLGJLOPCV-QGZVFWFLSA-N 0 0 405.476 1.541 20 0 HDADRN COc1ccccc1CC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2ncccn2)CC1 ZINC000673817359 1073771781 /nfs/dbraw/zinc/77/17/81/1073771781.db2.gz RTLFPUVDNMCEMF-LJQANCHMSA-N 0 0 423.517 1.804 20 0 HDADRN CSc1cccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000014351958 1073771853 /nfs/dbraw/zinc/77/18/53/1073771853.db2.gz ZWDPRDUIYCFACZ-UHFFFAOYSA-N 0 0 421.504 1.471 20 0 HDADRN O=C([C@H]1CCCN1c1ncccn1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000673816882 1073773165 /nfs/dbraw/zinc/77/31/65/1073773165.db2.gz LGFGXKFZSPYOLU-OAHLLOKOSA-N 0 0 401.433 1.559 20 0 HDADRN CC(C)c1nc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c[nH]1 ZINC000673818581 1073773219 /nfs/dbraw/zinc/77/32/19/1073773219.db2.gz KOGLKUCHJOEFSX-UHFFFAOYSA-N 0 0 405.524 1.915 20 0 HDADRN Cn1cc([C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C(C)(C)C)cn1 ZINC000673827203 1073774469 /nfs/dbraw/zinc/77/44/69/1073774469.db2.gz MXYWGVVERCTXHY-KRWDZBQOSA-N 0 0 423.539 1.297 20 0 HDADRN COCCNC(=O)CN1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000216241131 1073776201 /nfs/dbraw/zinc/77/62/01/1073776201.db2.gz UJEGLGDLZNMPQI-UHFFFAOYSA-N 0 0 419.551 1.557 20 0 HDADRN CC(C)CN1CCN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)[C@H](C)C1=O ZINC000429144629 1073776293 /nfs/dbraw/zinc/77/62/93/1073776293.db2.gz VDGWDPKFCBIWAJ-MRXNPFEDSA-N 0 0 402.495 1.880 20 0 HDADRN CCOC(=O)c1ccn(-c2ccccc2NC(=O)NCCS(=O)(=O)CC2CC2)n1 ZINC000766034445 1073777320 /nfs/dbraw/zinc/77/73/20/1073777320.db2.gz YZCJQGNPGAXINU-UHFFFAOYSA-N 0 0 420.491 1.995 20 0 HDADRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000029191249 1073778590 /nfs/dbraw/zinc/77/85/90/1073778590.db2.gz SCKRXGNOVVTJBT-HOCLYGCPSA-N 0 0 413.565 1.595 20 0 HDADRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029191261 1073778641 /nfs/dbraw/zinc/77/86/41/1073778641.db2.gz AHJPYPOLWGKYIG-DOMZBBRYSA-N 0 0 417.528 1.426 20 0 HDADRN CC[NH+]1CCN(CCNC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1 ZINC000509155310 1073779174 /nfs/dbraw/zinc/77/91/74/1073779174.db2.gz QCNXCYIIAUHWHU-UHFFFAOYSA-N 0 0 423.564 1.311 20 0 HDADRN CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(I)cc2)C1 ZINC000029207844 1073779704 /nfs/dbraw/zinc/77/97/04/1073779704.db2.gz IVWCSDJDRBFJIW-GFCCVEGCSA-N 0 0 408.261 1.445 20 0 HDADRN O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCO[C@@H]1c1ccnn1Cc1ccccc1 ZINC000509157147 1073779778 /nfs/dbraw/zinc/77/97/78/1073779778.db2.gz WQRRNFCHRUAXRI-LNLFQRSKSA-N 0 0 403.504 1.560 20 0 HDADRN CN1C(=O)C[C@H](NC(=O)NCCNC(=O)c2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000509156794 1073780150 /nfs/dbraw/zinc/78/01/50/1073780150.db2.gz VMLJXPLEYMSYPM-FUHWJXTLSA-N 0 0 415.881 1.736 20 0 HDADRN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509156775 1073780285 /nfs/dbraw/zinc/78/02/85/1073780285.db2.gz SGSDSQLMIPLSHT-JKSUJKDBSA-N 0 0 406.508 1.332 20 0 HDADRN CN(CCCc1cc(-c2ccccc2)no1)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509154909 1073780799 /nfs/dbraw/zinc/78/07/99/1073780799.db2.gz ORPNYAWHTZBZRA-QGZVFWFLSA-N 0 0 407.492 1.729 20 0 HDADRN COc1cccc(Oc2ncccc2CNC(=O)C(=O)N(C)Cc2cnccn2)c1 ZINC000509156369 1073781769 /nfs/dbraw/zinc/78/17/69/1073781769.db2.gz UFWUBIVRPKLHQF-UHFFFAOYSA-N 0 0 407.430 1.947 20 0 HDADRN O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 ZINC000057018388 1073782369 /nfs/dbraw/zinc/78/23/69/1073782369.db2.gz YYILTGSMRJSNQZ-UHFFFAOYSA-N 0 0 405.451 1.661 20 0 HDADRN O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCc2ccccc2C1 ZINC000216296815 1073782423 /nfs/dbraw/zinc/78/24/23/1073782423.db2.gz YVDIUZBLKMVGCN-UHFFFAOYSA-N 0 0 423.542 1.459 20 0 HDADRN O=C(NC[C@H]1CS(=O)(=O)CCO1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000509157507 1073784569 /nfs/dbraw/zinc/78/45/69/1073784569.db2.gz WKGSNCWKWGPZQJ-SFHVURJKSA-N 0 0 407.536 1.284 20 0 HDADRN COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C(=O)N(C)C3CCOCC3)cc2)CCO1 ZINC000429150566 1073785830 /nfs/dbraw/zinc/78/58/30/1073785830.db2.gz IWFIROJGYSVADQ-GOSISDBHSA-N 0 0 419.478 1.733 20 0 HDADRN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000057056868 1073786206 /nfs/dbraw/zinc/78/62/06/1073786206.db2.gz PHSKYOLOXWOLRW-SMDDNHRTSA-N 0 0 409.284 1.380 20 0 HDADRN COCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000057053681 1073786306 /nfs/dbraw/zinc/78/63/06/1073786306.db2.gz VRSVDIDCFTUIRV-UHFFFAOYSA-N 0 0 410.448 1.578 20 0 HDADRN COC(=O)c1ccc(OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000029272549 1073787950 /nfs/dbraw/zinc/78/79/50/1073787950.db2.gz GJNCQZWVJNJXQH-CQSZACIVSA-N 0 0 407.448 1.355 20 0 HDADRN COc1ccc(NC(=O)[C@@H]2CCCN2c2ncccn2)cc1OCC(=O)NC1CC1 ZINC000673831387 1073789017 /nfs/dbraw/zinc/78/90/17/1073789017.db2.gz HKBRZHFPDWZWDW-INIZCTEOSA-N 0 0 411.462 1.750 20 0 HDADRN Cc1nc(COc2ccc(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)cc2)no1 ZINC000673831329 1073789057 /nfs/dbraw/zinc/78/90/57/1073789057.db2.gz VYZCHBJSSUCNDV-KRWDZBQOSA-N 0 0 400.435 1.467 20 0 HDADRN COc1cc(CNC(=O)[C@H]2CCCN2c2ncccn2)ccc1OCC(=O)N(C)C ZINC000673831040 1073790244 /nfs/dbraw/zinc/79/02/44/1073790244.db2.gz FYIOVDFVODIXEJ-MRXNPFEDSA-N 0 0 413.478 1.237 20 0 HDADRN CCO/C=C/[C@](O)(CNC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)C(F)(F)F ZINC001671056275 1073790374 /nfs/dbraw/zinc/79/03/74/1073790374.db2.gz ZXIGWOSLVPSBAF-OOCSTFOJSA-N 0 0 424.441 1.915 20 0 HDADRN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1Cc2ccccc2O[C@H](C)C1 ZINC000429150899 1073791400 /nfs/dbraw/zinc/79/14/00/1073791400.db2.gz KBFLFNBZLIHKLO-CYBMUJFWSA-N 0 0 405.476 1.564 20 0 HDADRN O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000766035341 1073791901 /nfs/dbraw/zinc/79/19/01/1073791901.db2.gz PNQJJEPHPIJIPP-RDJZCZTQSA-N 0 0 410.492 1.068 20 0 HDADRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)C1 ZINC000673832062 1073791922 /nfs/dbraw/zinc/79/19/22/1073791922.db2.gz VSSWWHDOMNMJGN-GUDVDZBRSA-N 0 0 414.554 1.094 20 0 HDADRN CS(=O)(=O)N1CCC(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000429153248 1073794356 /nfs/dbraw/zinc/79/43/56/1073794356.db2.gz COLNMAGSUCYKQL-UHFFFAOYSA-N 0 0 414.494 1.232 20 0 HDADRN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CNC(=O)c3cccs3)CC2)cc1 ZINC000014394833 1073797527 /nfs/dbraw/zinc/79/75/27/1073797527.db2.gz RIFCFGITCNOODV-UHFFFAOYSA-N 0 0 421.544 1.756 20 0 HDADRN O=C(NCc1ccccc1OCCN1CCOCC1)[C@H]1CCCN1c1ncccn1 ZINC000673833359 1073797991 /nfs/dbraw/zinc/79/79/91/1073797991.db2.gz FMFCVTXVGJXLKY-LJQANCHMSA-N 0 0 411.506 1.473 20 0 HDADRN COC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)OC ZINC000029398287 1073799721 /nfs/dbraw/zinc/79/97/21/1073799721.db2.gz UZFURCWCPYHGQW-SECBINFHSA-N 0 0 403.762 1.742 20 0 HDADRN COC(=O)c1cn(C2CN(S(=O)(=O)c3cc(Br)sc3C)C2)nn1 ZINC000501992356 1073799957 /nfs/dbraw/zinc/79/99/57/1073799957.db2.gz BWSUEBINCDEESC-UHFFFAOYSA-N 0 0 421.298 1.443 20 0 HDADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCCC3(C)C)CC2)C[C@@H](C)O1 ZINC000466539656 1073800128 /nfs/dbraw/zinc/80/01/28/1073800128.db2.gz HRCOLRDHBWOCSG-ZACQAIPSSA-N 0 0 416.588 1.636 20 0 HDADRN CNS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCOC1 ZINC001299321285 1073800316 /nfs/dbraw/zinc/80/03/16/1073800316.db2.gz AMNRVJOUYWHRNI-MRXNPFEDSA-N 0 0 423.539 1.248 20 0 HDADRN CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)C1 ZINC000509162209 1073802036 /nfs/dbraw/zinc/80/20/36/1073802036.db2.gz BNDPZTKYDUUUQN-NSHDSACASA-N 0 0 424.928 1.156 20 0 HDADRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)C1 ZINC000673839022 1073803749 /nfs/dbraw/zinc/80/37/49/1073803749.db2.gz YCHBLKYCPGEROF-CEXWTWQISA-N 0 0 414.554 1.285 20 0 HDADRN COCCN1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1=O ZINC000509161684 1073803763 /nfs/dbraw/zinc/80/37/63/1073803763.db2.gz BMYHSGDHRFNXIB-QAPCUYQASA-N 0 0 408.886 1.112 20 0 HDADRN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000509161655 1073803810 /nfs/dbraw/zinc/80/38/10/1073803810.db2.gz KDJHHGXQLPBLHT-KSZLIROESA-N 0 0 416.565 1.953 20 0 HDADRN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)N1CCCc2ccccc21 ZINC000057268961 1073805702 /nfs/dbraw/zinc/80/57/02/1073805702.db2.gz WAGBIIQYDDSVGC-HNNXBMFYSA-N 0 0 401.488 1.449 20 0 HDADRN CCCN1CCCN(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1=O ZINC000429153848 1073806205 /nfs/dbraw/zinc/80/62/05/1073806205.db2.gz XEMSSSBOSBEEHF-UHFFFAOYSA-N 0 0 401.916 1.897 20 0 HDADRN Cc1c(C(=O)NCC(=O)NC2CCCC2)cc(Br)cc1S(N)(=O)=O ZINC000673834227 1073807728 /nfs/dbraw/zinc/80/77/28/1073807728.db2.gz VOBPPSNKFKVMBN-UHFFFAOYSA-N 0 0 418.313 1.194 20 0 HDADRN O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@@H]1CCCN1c1ncccn1 ZINC000673834862 1073808329 /nfs/dbraw/zinc/80/83/29/1073808329.db2.gz JBCATPBFVURQKL-SFHVURJKSA-N 0 0 421.505 1.538 20 0 HDADRN NS(=O)(=O)Cc1cccc(CNC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 ZINC000673835437 1073808976 /nfs/dbraw/zinc/80/89/76/1073808976.db2.gz COCHDJJDOWTEBL-UHFFFAOYSA-N 0 0 420.882 1.098 20 0 HDADRN COc1ccccc1CC1CCN(C(=O)NCCNS(=O)(=O)NC(C)C)CC1 ZINC000429154930 1073810544 /nfs/dbraw/zinc/81/05/44/1073810544.db2.gz ASGVBYPYGCVRBE-UHFFFAOYSA-N 0 0 412.556 1.492 20 0 HDADRN CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000057313916 1073815178 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/nfs/dbraw/zinc/70/79/06/1075707906.db2.gz GOWHWYAQPLKSGR-KRWDZBQOSA-N 0 0 414.506 1.245 20 0 HDADRN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000429260447 1075707936 /nfs/dbraw/zinc/70/79/36/1075707936.db2.gz WQQVILTXZJFJPC-GOSISDBHSA-N 0 0 410.405 1.671 20 0 HDADRN Cn1cc(N2CC[C@H](OC(=O)CNC(=O)NCc3ccc(Cl)cc3)C2=O)cn1 ZINC000732336405 1075708203 /nfs/dbraw/zinc/70/82/03/1075708203.db2.gz FXQFASOHNXUWSM-HNNXBMFYSA-N 0 0 405.842 1.221 20 0 HDADRN O=C(COC(=O)C(=O)NCCCc1ccccc1)NC1CCC2(CC1)OCCO2 ZINC000732337987 1075708370 /nfs/dbraw/zinc/70/83/70/1075708370.db2.gz DDDBZONKDRMGGT-UHFFFAOYSA-N 0 0 404.463 1.081 20 0 HDADRN COC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)c2nc(C)cs2)c2ccccc2O1 ZINC000543586227 1075708700 /nfs/dbraw/zinc/70/87/00/1075708700.db2.gz FHKSAHPDCPWBRA-NHYWBVRUSA-N 0 0 403.460 1.638 20 0 HDADRN CN(C)C(=O)Cn1cnc(NC(=O)N(C)Cc2cc(Br)ccc2F)n1 ZINC000475845094 1075708722 /nfs/dbraw/zinc/70/87/22/1075708722.db2.gz FLKGVVCHSWHSEV-UHFFFAOYSA-N 0 0 413.251 1.932 20 0 HDADRN C[C@@H](OC(=O)C(=O)NCCCc1ccccc1)C(=O)NC(=O)NCC(F)(F)F ZINC000732338513 1075708913 /nfs/dbraw/zinc/70/89/13/1075708913.db2.gz ZYJJDDNGBHEEQA-LLVKDONJSA-N 0 0 403.357 1.055 20 0 HDADRN Cn1ccnc1-c1cc(NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)n[nH]1 ZINC000558751489 1075709665 /nfs/dbraw/zinc/70/96/65/1075709665.db2.gz DSOKEDZRFWIZAH-UHFFFAOYSA-N 0 0 424.465 1.725 20 0 HDADRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000478983415 1075711018 /nfs/dbraw/zinc/71/10/18/1075711018.db2.gz JIPYTUOBSKLQEA-SECBINFHSA-N 0 0 417.461 1.948 20 0 HDADRN Cc1cccc(N2CCN(C(=O)COC(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)c1 ZINC000732340414 1075711013 /nfs/dbraw/zinc/71/10/13/1075711013.db2.gz UCVOGTXFOPYJLP-UHFFFAOYSA-N 0 0 407.426 1.384 20 0 HDADRN O=C(COC(=O)c1ccc2c(c1)C(=O)NC2=O)NCCc1ccc(OC(F)F)cc1 ZINC000732340391 1075711019 /nfs/dbraw/zinc/71/10/19/1075711019.db2.gz SSHAQGNAYHORQC-UHFFFAOYSA-N 0 0 418.352 1.687 20 0 HDADRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ncn(C(C)(C)C)n3)CC2)C1 ZINC000543366991 1075711056 /nfs/dbraw/zinc/71/10/56/1075711056.db2.gz ZAMYRCAWXOVPTO-HZPDHXFCSA-N 0 0 405.547 1.687 20 0 HDADRN CCN(CC)C(=O)Cc1ccc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cc1 ZINC000429259971 1075711743 /nfs/dbraw/zinc/71/17/43/1075711743.db2.gz ZINNCXJZLDMWFI-UHFFFAOYSA-N 0 0 416.482 1.047 20 0 HDADRN CC(C)C[C@H](CO)N(C)C(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000509255130 1075711982 /nfs/dbraw/zinc/71/19/82/1075711982.db2.gz DPYJMRIVGGWTSK-HUUCEWRRSA-N 0 0 403.570 1.807 20 0 HDADRN Cc1ccc(N2C[C@H](C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)CC2=O)cc1F ZINC000732314232 1075712057 /nfs/dbraw/zinc/71/20/57/1075712057.db2.gz IDDPDULONNPINU-DYVFJYSZSA-N 0 0 400.410 1.569 20 0 HDADRN Cc1ccc(N2C[C@@H](C(=O)O[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2=O)cc1F ZINC000732314234 1075712173 /nfs/dbraw/zinc/71/21/73/1075712173.db2.gz IDDPDULONNPINU-SUMWQHHRSA-N 0 0 400.410 1.569 20 0 HDADRN Cc1ccc(NC(=O)CN2CCN(c3cccc(F)c3)C[C@@H]2C)cc1S(N)(=O)=O ZINC000429261636 1075712186 /nfs/dbraw/zinc/71/21/86/1075712186.db2.gz GKYDLNDWLBTVSO-HNNXBMFYSA-N 0 0 420.510 1.931 20 0 HDADRN CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)n1 ZINC000506682181 1075712297 /nfs/dbraw/zinc/71/22/97/1075712297.db2.gz QNSDNSPZUNRHJP-HNNXBMFYSA-N 0 0 400.487 1.877 20 0 HDADRN CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)n1 ZINC000582923355 1075712449 /nfs/dbraw/zinc/71/24/49/1075712449.db2.gz HVQAQELQVQHIML-LSDHHAIUSA-N 0 0 408.409 1.766 20 0 HDADRN CSc1cccc(N2C[C@H](C(=O)O[C@H]3CCN(c4cnn(C)c4)C3=O)CC2=O)c1 ZINC000732316953 1075712646 /nfs/dbraw/zinc/71/26/46/1075712646.db2.gz HAFJFSPDPRLATP-DYVFJYSZSA-N 0 0 414.487 1.844 20 0 HDADRN CCOC(=O)CCc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1 ZINC000429469706 1075712845 /nfs/dbraw/zinc/71/28/45/1075712845.db2.gz DHSMKTNMTNNRKT-UHFFFAOYSA-N 0 0 415.450 1.044 20 0 HDADRN CCc1nnc([C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)o1 ZINC000732317710 1075713132 /nfs/dbraw/zinc/71/31/32/1075713132.db2.gz CDUVWFSPBBLOHH-NSHDSACASA-N 0 0 413.452 1.622 20 0 HDADRN Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2nnc(CC(F)(F)F)s2)C1=O ZINC000543964240 1075713478 /nfs/dbraw/zinc/71/34/78/1075713478.db2.gz HVPPSARVTCLPFI-SECBINFHSA-N 0 0 417.417 1.689 20 0 HDADRN O=C(CC[C@H]1NC(=O)NC1=O)OCc1noc(Cc2ccc(Br)cc2)n1 ZINC000732317626 1075713474 /nfs/dbraw/zinc/71/34/74/1075713474.db2.gz AHXUNKDHQSBCOG-LLVKDONJSA-N 0 0 423.223 1.454 20 0 HDADRN Cn1cc(N2CC[C@@H](OC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2=O)cn1 ZINC000732318211 1075713688 /nfs/dbraw/zinc/71/36/88/1075713688.db2.gz GADZZKPHZAISKS-XLNAKTSKSA-N 0 0 418.475 1.049 20 0 HDADRN COc1ccc(C(=O)OCc2ccc(NS(C)(=O)=O)cc2)cc1S(N)(=O)=O ZINC000732318692 1075713918 /nfs/dbraw/zinc/71/39/18/1075713918.db2.gz XSTZWMSYMRVOLT-UHFFFAOYSA-N 0 0 414.461 1.071 20 0 HDADRN C[C@@H](C(=O)OCc1ccc(NS(C)(=O)=O)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000732318514 1075714242 /nfs/dbraw/zinc/71/42/42/1075714242.db2.gz HZAKXLHFOBACQR-APHBMKBZSA-N 0 0 408.476 1.665 20 0 HDADRN O=C(CN1C(=O)NC2(CCCC2)C1=O)O[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732318495 1075714265 /nfs/dbraw/zinc/71/42/65/1075714265.db2.gz HPTXIRSCFHDYLD-AWEZNQCLSA-N 0 0 405.838 1.853 20 0 HDADRN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1ccc(NS(C)(=O)=O)cc1)C2=O ZINC000732318350 1075714502 /nfs/dbraw/zinc/71/45/02/1075714502.db2.gz VMJWWJAMACTKCL-DJJJIMSYSA-N 0 0 423.491 1.602 20 0 HDADRN COc1cccc([C@@H](O)C(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000732343960 1075714730 /nfs/dbraw/zinc/71/47/30/1075714730.db2.gz FKNUTOYNWAQNRN-LJQANCHMSA-N 0 0 404.463 1.133 20 0 HDADRN COC(=O)Nc1ccc(CNC(=O)COC(=O)[C@@H](O)c2cccc(OC)c2)cc1 ZINC000732344005 1075714784 /nfs/dbraw/zinc/71/47/84/1075714784.db2.gz GGPFRPSKNGDKCF-SFHVURJKSA-N 0 0 402.403 1.767 20 0 HDADRN C[C@@H](OC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)N[C@H]1CCOc2ccccc21 ZINC000732345189 1075715335 /nfs/dbraw/zinc/71/53/35/1075715335.db2.gz BYXIBJHMFWETEF-ACWUXRRJSA-N 0 0 415.446 1.327 20 0 HDADRN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCCc3nnc(N)o3)cc2)c1C ZINC000552489263 1075715778 /nfs/dbraw/zinc/71/57/78/1075715778.db2.gz YFPRJDWCKAOVNF-UHFFFAOYSA-N 0 0 415.475 2.042 20 0 HDADRN C[C@H](Cc1c(F)cccc1F)NC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000732344596 1075715895 /nfs/dbraw/zinc/71/58/95/1075715895.db2.gz AQYTZFPZEDWMKR-BMTQXLHTSA-N 0 0 423.416 1.324 20 0 HDADRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000732345219 1075715905 /nfs/dbraw/zinc/71/59/05/1075715905.db2.gz CALWIDDVDKAISU-QOLVUUTGSA-N 0 0 417.462 1.573 20 0 HDADRN C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)Cc1nc(N)nc(N(C)C)n1 ZINC000485829975 1075716004 /nfs/dbraw/zinc/71/60/04/1075716004.db2.gz DPZARXIIKIHBBT-CYBMUJFWSA-N 0 0 405.528 1.253 20 0 HDADRN Cc1onc(N)c1S(=O)(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000584199977 1075716066 /nfs/dbraw/zinc/71/60/66/1075716066.db2.gz HEZBNZYQSXJTOF-SNVBAGLBSA-N 0 0 409.386 1.644 20 0 HDADRN CC(C)[C@H](OC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000732345656 1075716361 /nfs/dbraw/zinc/71/63/61/1075716361.db2.gz JEAICNQBHGIYGL-CFZBQGPWSA-N 0 0 407.511 1.827 20 0 HDADRN COc1cccc([C@H](O)C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1 ZINC000732345694 1075716380 /nfs/dbraw/zinc/71/63/80/1075716380.db2.gz JOGMPCYFAIZPKW-FQEVSTJZSA-N 0 0 412.442 1.480 20 0 HDADRN CCS(=O)(=O)N1CCN(C(=O)NCc2ccncc2OCc2ccccc2)CC1 ZINC000509252585 1075716336 /nfs/dbraw/zinc/71/63/36/1075716336.db2.gz AYYZYRWNARTJBP-UHFFFAOYSA-N 0 0 418.519 1.838 20 0 HDADRN CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)o1 ZINC000509255997 1075716383 /nfs/dbraw/zinc/71/63/83/1075716383.db2.gz PKJATYWPMIBEMP-KBPBESRZSA-N 0 0 414.459 1.081 20 0 HDADRN C[C@@H]1C[C@@H]1N1C[C@H](Nc2nc(N[C@@H]3CC(=O)N([C@@H]4C[C@@H]4C)C3)ncc2Cl)CC1=O ZINC000489963976 1075716572 /nfs/dbraw/zinc/71/65/72/1075716572.db2.gz KRWUVZOJEUZVQV-YGNQVGSDSA-N 0 0 418.929 1.972 20 0 HDADRN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429262566 1075716898 /nfs/dbraw/zinc/71/68/98/1075716898.db2.gz GIPIKOAMNGXEIB-LBPRGKRZSA-N 0 0 412.454 1.748 20 0 HDADRN O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)NCCOc1ccc(Cl)cc1 ZINC000732348141 1075717735 /nfs/dbraw/zinc/71/77/35/1075717735.db2.gz BYHWWAKISUXIJU-UHFFFAOYSA-N 0 0 423.853 1.147 20 0 HDADRN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000438515987 1075717762 /nfs/dbraw/zinc/71/77/62/1075717762.db2.gz ILQOQQYWIIYZBZ-SJORKVTESA-N 0 0 424.553 1.309 20 0 HDADRN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000610450146 1075718032 /nfs/dbraw/zinc/71/80/32/1075718032.db2.gz DXLLXZCDCCKDOI-HIFRSBDPSA-N 0 0 400.483 1.723 20 0 HDADRN Cn1cnc(NC(=O)C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)n1 ZINC000555914652 1075718343 /nfs/dbraw/zinc/71/83/43/1075718343.db2.gz YPNXLGCBGJCHRV-LBPRGKRZSA-N 0 0 415.841 1.863 20 0 HDADRN NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1 ZINC000429470258 1075718292 /nfs/dbraw/zinc/71/82/92/1075718292.db2.gz NARKCBIHPKMJNJ-UHFFFAOYSA-N 0 0 413.908 1.834 20 0 HDADRN CCn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)c2cc(C)cc(C)c2OC)cn1 ZINC000509255349 1075718621 /nfs/dbraw/zinc/71/86/21/1075718621.db2.gz NWXVNILOHJBOFH-QAPCUYQASA-N 0 0 406.508 1.827 20 0 HDADRN COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H](O)c1cccc(OC)c1 ZINC000732348396 1075718830 /nfs/dbraw/zinc/71/88/30/1075718830.db2.gz QFIWHLVYKHRIOZ-CYBMUJFWSA-N 0 0 409.416 1.689 20 0 HDADRN COc1cccc([C@H](O)C(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000732349980 1075718861 /nfs/dbraw/zinc/71/88/61/1075718861.db2.gz YKNGXUFNLKLFBQ-IBGZPJMESA-N 0 0 404.488 1.678 20 0 HDADRN Cn1cnc(NC(=O)C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000567739828 1075719003 /nfs/dbraw/zinc/71/90/03/1075719003.db2.gz CLGBMCAPDZDURH-UHFFFAOYSA-N 0 0 411.384 1.637 20 0 HDADRN CC(=O)N1CCC[C@H](CNC(=O)C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)C1 ZINC000564342636 1075719018 /nfs/dbraw/zinc/71/90/18/1075719018.db2.gz CTVKSMMCTVLHGK-CQSZACIVSA-N 0 0 419.432 1.772 20 0 HDADRN COc1cccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000732349917 1075719051 /nfs/dbraw/zinc/71/90/51/1075719051.db2.gz XUDXPECBFBLTBH-OAQYLSRUSA-N 0 0 412.442 1.715 20 0 HDADRN COc1ccc(Cl)cc1CNC(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000732351196 1075719110 /nfs/dbraw/zinc/71/91/10/1075719110.db2.gz XFACULWAUVXURN-UHFFFAOYSA-N 0 0 423.853 1.276 20 0 HDADRN CC(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC12CCCCC2 ZINC000535735183 1075719276 /nfs/dbraw/zinc/71/92/76/1075719276.db2.gz LDHXTRGYMGXISD-UHFFFAOYSA-N 0 0 424.505 1.659 20 0 HDADRN CCc1ccc(CN(C)C(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000732350304 1075719609 /nfs/dbraw/zinc/71/96/09/1075719609.db2.gz QGBBHRUXDDMUPS-UHFFFAOYSA-N 0 0 401.463 1.519 20 0 HDADRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000732351236 1075719643 /nfs/dbraw/zinc/71/96/43/1075719643.db2.gz YGTZLQRSLLWQRX-BMTQXLHTSA-N 0 0 423.416 1.796 20 0 HDADRN CCCNC(=O)CCC(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000732352239 1075719876 /nfs/dbraw/zinc/71/98/76/1075719876.db2.gz AOQCCGMCKUAEAS-ZDUSSCGKSA-N 0 0 413.496 1.114 20 0 HDADRN Nc1nccc([C@@H]2CCCN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)C2)n1 ZINC000556964123 1075720033 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COC(=O)c1ccc(CNC(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)o1 ZINC000611329630 1075908870 /nfs/dbraw/zinc/90/88/70/1075908870.db2.gz HJAFMGNCMWBGNZ-GFCCVEGCSA-N 0 0 410.452 1.561 20 0 HDADRN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 ZINC000611334094 1075910101 /nfs/dbraw/zinc/91/01/01/1075910101.db2.gz VWPZDURXSKQQFO-SNVBAGLBSA-N 0 0 409.434 1.765 20 0 HDADRN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000611334119 1075910109 /nfs/dbraw/zinc/91/01/09/1075910109.db2.gz WGDIVDHWNBERAO-ROUUACIJSA-N 0 0 423.554 1.138 20 0 HDADRN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)C1 ZINC000611335449 1075910397 /nfs/dbraw/zinc/91/03/97/1075910397.db2.gz VFFFNYPDJWMBNC-MRXNPFEDSA-N 0 0 424.519 1.605 20 0 HDADRN CCc1cc(N2CCC[C@@H](NC(=O)[C@H]3CN(C(C)=O)c4ccccc4O3)C2)ncn1 ZINC000732915714 1075911127 /nfs/dbraw/zinc/91/11/27/1075911127.db2.gz MILZIGORIGGENE-YLJYHZDGSA-N 0 0 409.490 1.938 20 0 HDADRN Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732915441 1075911491 /nfs/dbraw/zinc/91/14/91/1075911491.db2.gz IBLUWWFZYNZGGT-CQSZACIVSA-N 0 0 419.917 1.407 20 0 HDADRN O=C(NOCc1ccccc1)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732915239 1075912164 /nfs/dbraw/zinc/91/21/64/1075912164.db2.gz ZTMDOGMYEXUHRI-SFHVURJKSA-N 0 0 412.494 1.713 20 0 HDADRN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(I)c(F)c2)C[C@H]1O ZINC000611365866 1075913358 /nfs/dbraw/zinc/91/33/58/1075913358.db2.gz IQNFBIADEQGGGM-QUBYGPBYSA-N 0 0 410.158 1.347 20 0 HDADRN Cn1c2ccc(NC(=O)C(=O)NCCCCC(=O)OC(C)(C)C)cc2n(C)c1=O ZINC000611369460 1075914654 /nfs/dbraw/zinc/91/46/54/1075914654.db2.gz LCKWZSAMKKMGSN-UHFFFAOYSA-N 0 0 404.467 1.444 20 0 HDADRN O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000732899647 1075915555 /nfs/dbraw/zinc/91/55/55/1075915555.db2.gz UZMVIVIEXONKAO-INIZCTEOSA-N 0 0 408.393 1.267 20 0 HDADRN COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccc(OC)cc1 ZINC000611373988 1075916710 /nfs/dbraw/zinc/91/67/10/1075916710.db2.gz VJCAQHGJEWFHLU-INIZCTEOSA-N 0 0 423.491 1.318 20 0 HDADRN CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000611374954 1075916734 /nfs/dbraw/zinc/91/67/34/1075916734.db2.gz WFSKTHJVJJVISF-OLZOCXBDSA-N 0 0 410.583 1.374 20 0 HDADRN O=C(Cn1ncn2nccc2c1=O)OCc1cc2c(c(Br)c1)OCO2 ZINC000732903908 1075916901 /nfs/dbraw/zinc/91/69/01/1075916901.db2.gz YTTJUFCBSOYIHX-UHFFFAOYSA-N 0 0 407.180 1.126 20 0 HDADRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1N1C(=O)CCC1=O ZINC000732951068 1075917522 /nfs/dbraw/zinc/91/75/22/1075917522.db2.gz COVVJXBUHNAGCW-UHFFFAOYSA-N 0 0 413.455 1.968 20 0 HDADRN CCOC(=O)c1cc(NC(=O)C(=O)NCCc2nccn2Cc2ccccc2)cn1C ZINC000611358876 1075917591 /nfs/dbraw/zinc/91/75/91/1075917591.db2.gz BWCKRRIROAXFSB-UHFFFAOYSA-N 0 0 423.473 1.744 20 0 HDADRN CCOC(=O)c1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cn1C ZINC000611358782 1075917881 /nfs/dbraw/zinc/91/78/81/1075917881.db2.gz RPEXQCZPIAXOOO-ZDUSSCGKSA-N 0 0 410.434 1.598 20 0 HDADRN 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406.455 1.201 20 0 HDADRN COc1ccc(O[C@@H](C)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000732943643 1075920744 /nfs/dbraw/zinc/92/07/44/1075920744.db2.gz AARNBJUAILHPJW-LBPRGKRZSA-N 0 0 406.451 1.843 20 0 HDADRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2I)C[C@@H]1O ZINC000611366173 1075920753 /nfs/dbraw/zinc/92/07/53/1075920753.db2.gz ZGALBTDUOKSZCX-CPCISQLKSA-N 0 0 408.623 1.722 20 0 HDADRN C[C@@H]1CN(C(=O)C(=O)Nc2cc(I)ccc2Cl)C[C@H]1O ZINC000611365944 1075921079 /nfs/dbraw/zinc/92/10/79/1075921079.db2.gz MNQFOGZCVQETAX-RDDDGLTNSA-N 0 0 408.623 1.722 20 0 HDADRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000732944457 1075921432 /nfs/dbraw/zinc/92/14/32/1075921432.db2.gz BCORGDDUDLZRDM-CQSZACIVSA-N 0 0 409.499 1.404 20 0 HDADRN CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000611381814 1075922303 /nfs/dbraw/zinc/92/23/03/1075922303.db2.gz DAKUQDNFKHKAPM-IAGOWNOFSA-N 0 0 404.463 1.987 20 0 HDADRN CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CCC(OCCCO)CC1 ZINC000611381836 1075922319 /nfs/dbraw/zinc/92/23/19/1075922319.db2.gz LNOLXDWTELNKAU-UHFFFAOYSA-N 0 0 406.479 1.970 20 0 HDADRN CC(C)(C)OC(=O)c1ccccc1NC(=O)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000611382507 1075922739 /nfs/dbraw/zinc/92/27/39/1075922739.db2.gz GWPFIRJIEXJVSH-ZWKOTPCHSA-N 0 0 417.506 1.638 20 0 HDADRN COC(=O)COc1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000732944895 1075923673 /nfs/dbraw/zinc/92/36/73/1075923673.db2.gz WUGDAEWSTNUBJM-UHFFFAOYSA-N 0 0 420.434 1.233 20 0 HDADRN COC(=O)CCN1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000611375575 1075923780 /nfs/dbraw/zinc/92/37/80/1075923780.db2.gz NPYMFTPVEKVKJL-ZDUSSCGKSA-N 0 0 424.441 1.984 20 0 HDADRN Cc1nn(C)c2ncc(C(=O)NCC3CCN(S(=O)(=O)C(F)F)CC3)cc12 ZINC000732946715 1075924008 /nfs/dbraw/zinc/92/40/08/1075924008.db2.gz ZTXRDTMAAKZQAR-UHFFFAOYSA-N 0 0 401.439 1.271 20 0 HDADRN O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000732946231 1075924431 /nfs/dbraw/zinc/92/44/31/1075924431.db2.gz 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Cc1nc2nc(N)nn2c(C)c1CCC(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000467684628 1075765029 /nfs/dbraw/zinc/76/50/29/1075765029.db2.gz DAVCBBZVLBTLFM-ZDUSSCGKSA-N 0 0 414.901 1.699 20 0 HDADRN C[C@H](NC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000469008297 1075765101 /nfs/dbraw/zinc/76/51/01/1075765101.db2.gz MOTUJYYECQLIIV-QYWGDWMGSA-N 0 0 419.485 2.529 20 0 HDADRN CCCN1C(=O)C(=O)N(CN2CCN(CCOc3ccc(Cl)cc3)CC2)C1=O ZINC000732491757 1075765293 /nfs/dbraw/zinc/76/52/93/1075765293.db2.gz NVENJBWMXPHYBP-UHFFFAOYSA-N 0 0 408.886 1.495 20 0 HDADRN C[C@H](NC(=O)C(=O)Nc1ccon1)c1ccc(Br)cc1OCCCO ZINC000464011563 1075765322 /nfs/dbraw/zinc/76/53/22/1075765322.db2.gz AEEFUVNGNKSCGH-JTQLQIEISA-N 0 0 412.240 2.014 20 0 HDADRN CCOC(=O)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 ZINC000732492348 1075765548 /nfs/dbraw/zinc/76/55/48/1075765548.db2.gz KYMCUPMTSVKGPX-ORAYPTAESA-N 0 0 418.421 1.944 20 0 HDADRN C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)[C@H]1OCCc2sccc21 ZINC000551393835 1075765865 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409.284 2.097 20 0 HDADRN Nc1nsc(N2CCN(C(=O)CCC(=O)N3CCC(c4ccccc4)=N3)CC2)n1 ZINC000485109884 1075767293 /nfs/dbraw/zinc/76/72/93/1075767293.db2.gz WVAZNVUEMCOMIJ-UHFFFAOYSA-N 0 0 413.507 1.186 20 0 HDADRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(=O)Nc1ncn(C)n1 ZINC000571184783 1075767542 /nfs/dbraw/zinc/76/75/42/1075767542.db2.gz JWVJWDJJCDVKQS-UHFFFAOYSA-N 0 0 409.290 2.450 20 0 HDADRN CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCNC(=O)C3)n2CC)cc1 ZINC000029618303 1075768589 /nfs/dbraw/zinc/76/85/89/1075768589.db2.gz CMMWXTPYSXZHEB-UHFFFAOYSA-N 0 0 416.551 1.862 20 0 HDADRN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC(CS(C)(=O)=O)CC1 ZINC000429272449 1075769220 /nfs/dbraw/zinc/76/92/20/1075769220.db2.gz JTGGDYJUHJGRBN-OAHLLOKOSA-N 0 0 407.536 1.897 20 0 HDADRN Cc1cc(N2C[C@H](C(=O)N(CCO)CCOCC(F)(F)F)CC2=O)ccc1F ZINC000509266924 1075769280 /nfs/dbraw/zinc/76/92/80/1075769280.db2.gz GOTPEWXEUURYGO-CYBMUJFWSA-N 0 0 406.376 1.887 20 0 HDADRN CC(C)(C)c1cc(NC(=O)C(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)no1 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O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000053093819 1076054091 /nfs/dbraw/zinc/05/40/91/1076054091.db2.gz PXNHMDTVYXYFIL-UHFFFAOYSA-N 0 0 416.485 1.848 20 0 HDADRN CC(C)NC(=O)CN(C)CC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F ZINC001164538607 1076054730 /nfs/dbraw/zinc/05/47/30/1076054730.db2.gz DYHOPZJQEPRRAF-UHFFFAOYSA-N 0 0 424.517 1.923 20 0 HDADRN Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC(=O)OCc1ccccc1Cl ZINC000733366902 1076054759 /nfs/dbraw/zinc/05/47/59/1076054759.db2.gz OJACSZUUCHYRRS-UHFFFAOYSA-N 0 0 402.842 1.379 20 0 HDADRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000733366462 1076054929 /nfs/dbraw/zinc/05/49/29/1076054929.db2.gz UICZKFLEHZLEEN-ZDZFUCEFSA-N 0 0 402.538 1.247 20 0 HDADRN COc1cccc([C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c2nccn2C)c1 ZINC000053341144 1076055906 /nfs/dbraw/zinc/05/59/06/1076055906.db2.gz MKHUVPJGBKVTAC-KRWDZBQOSA-N 0 0 411.462 1.499 20 0 HDADRN NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000733368962 1076055971 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419.503 1.668 20 0 HDADRN COc1ccc(CN(C(=O)NCCNS(=O)(=O)NC(C)C)[C@H](C)C2CC2)cc1 ZINC000429174717 1073954047 /nfs/dbraw/zinc/95/40/47/1073954047.db2.gz FXDMQQFGFWPDOX-OAHLLOKOSA-N 0 0 412.556 1.838 20 0 HDADRN Cc1ccc(NC(=O)C(=O)NC[C@](C)(CO)Cc2ccccc2)cc1-n1cnnn1 ZINC000484361618 1073957706 /nfs/dbraw/zinc/95/77/06/1073957706.db2.gz AFYSNOAAVZVMRA-OAQYLSRUSA-N 0 0 408.462 1.267 20 0 HDADRN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509183037 1073959748 /nfs/dbraw/zinc/95/97/48/1073959748.db2.gz JGMKAIYMYZZBPU-MRXNPFEDSA-N 0 0 409.439 1.626 20 0 HDADRN NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCCC1 ZINC000509183100 1073959770 /nfs/dbraw/zinc/95/97/70/1073959770.db2.gz KMNFRVKVUJODBH-HNNXBMFYSA-N 0 0 409.508 1.062 20 0 HDADRN CC(C)NS(=O)(=O)NCCNC(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000429178237 1073961768 /nfs/dbraw/zinc/96/17/68/1073961768.db2.gz SWONEVRNORMZEF-UHFFFAOYSA-N 0 0 406.508 1.847 20 0 HDADRN 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412.446 1.283 20 0 HDADRN Cc1ccc(C(=O)NCc2nccc(N)n2)cc1S(=O)(=O)NCc1ccccc1 ZINC000475440158 1075749296 /nfs/dbraw/zinc/74/92/96/1075749296.db2.gz UVFCIRMPIIPXDS-UHFFFAOYSA-N 0 0 411.487 1.776 20 0 HDADRN CCc1nc(CN2CCC(CNC(=O)NCCN3CCO[C@H](C)C3)CC2)cs1 ZINC000732457644 1075749339 /nfs/dbraw/zinc/74/93/39/1075749339.db2.gz JKWLCMRTQGUJNH-MRXNPFEDSA-N 0 0 409.600 1.937 20 0 HDADRN O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000543688261 1075749688 /nfs/dbraw/zinc/74/96/88/1075749688.db2.gz WKUMQSCHIRJFGI-ZIAGYGMSSA-N 0 0 419.425 1.465 20 0 HDADRN O=C1CN(Cn2nc(CN3CCCCC3)n(-c3ccc(F)cc3)c2=S)CCN1 ZINC000732460820 1075750724 /nfs/dbraw/zinc/75/07/24/1075750724.db2.gz DODSCOSWPFYIKS-UHFFFAOYSA-N 0 0 404.515 1.918 20 0 HDADRN CC(C)(C(=O)Nc1ccn(CCN2CCOCC2)n1)c1ccc2c(c1)OCCO2 ZINC000520929145 1075750792 /nfs/dbraw/zinc/75/07/92/1075750792.db2.gz PEBGDRUTBJKAHO-UHFFFAOYSA-N 0 0 400.479 1.903 20 0 HDADRN CN(C)c1cc(C(F)(F)F)nc(NCCCN2CCN(c3ncccn3)CC2)n1 ZINC000641922139 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407.474 2.377 20 0 HDADRN Nc1noc(CCNC(=O)C(=O)Nc2cccc(COCCc3ccccc3)c2)n1 ZINC000540309637 1075752921 /nfs/dbraw/zinc/75/29/21/1075752921.db2.gz HSPDFKKAFXUTMX-UHFFFAOYSA-N 0 0 409.446 1.709 20 0 HDADRN Cn1nccc1[C@H]1[C@H](C(=O)Nc2cc3ccc(Br)cn3n2)CC(=O)N1C ZINC000506101614 1075752941 /nfs/dbraw/zinc/75/29/41/1075752941.db2.gz SCKLHZRKUXWOLZ-MLGOLLRUSA-N 0 0 417.267 1.988 20 0 HDADRN Nc1noc(CCNC(=O)C(=O)Nc2ccnn2Cc2cccc3ccccc32)n1 ZINC000539208936 1075753218 /nfs/dbraw/zinc/75/32/18/1075753218.db2.gz XFJXYNYKWVNQHC-UHFFFAOYSA-N 0 0 405.418 1.347 20 0 HDADRN COC(=O)c1nccc2c1cccc2S(=O)(=O)NC[C@H](C)N1CCCCC1=O ZINC000509263448 1075754289 /nfs/dbraw/zinc/75/42/89/1075754289.db2.gz LGRBMCRINIVOIX-ZDUSSCGKSA-N 0 0 405.476 1.701 20 0 HDADRN CC(C)(C)Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n[nH]1 ZINC000473210389 1075754306 /nfs/dbraw/zinc/75/43/06/1075754306.db2.gz TYSWPKVDOZOKRX-ZBFHGGJFSA-N 0 0 424.498 1.900 20 0 HDADRN NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)NCc2cncnc2N)c1 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415.437 1.985 20 0 HDADRN Cc1nnc(CN(C)CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)n1C ZINC000509119184 1073590271 /nfs/dbraw/zinc/59/02/71/1073590271.db2.gz BDKNWPUBSUSOEY-GOSISDBHSA-N 0 0 420.945 1.398 20 0 HDADRN O=C(NCCOCC(F)(F)C(F)F)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000429105598 1073591542 /nfs/dbraw/zinc/59/15/42/1073591542.db2.gz SBUWUNOSTWSGAG-AWEZNQCLSA-N 0 0 403.442 1.411 20 0 HDADRN Cc1nnc(CN(C)CC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)n1C ZINC000673656832 1073594439 /nfs/dbraw/zinc/59/44/39/1073594439.db2.gz OBGNAGBLYHCGOU-SFHVURJKSA-N 0 0 405.506 1.686 20 0 HDADRN COC(=O)C[C@](C)(NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1)c1ccccn1 ZINC000509120220 1073595070 /nfs/dbraw/zinc/59/50/70/1073595070.db2.gz DKVDQPWWRCDUMI-QFIPXVFZSA-N 0 0 412.490 1.855 20 0 HDADRN NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC001299283619 1073596457 /nfs/dbraw/zinc/59/64/57/1073596457.db2.gz GZTKYHJAEBNFIW-FSSYBCQVSA-N 0 0 421.444 1.455 20 0 HDADRN 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/nfs/dbraw/zinc/60/59/76/1073605976.db2.gz RLYQCAMDBKJSAB-UHFFFAOYSA-N 0 0 402.860 1.968 20 0 HDADRN Cn1cc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c(=O)n(C)c1=O ZINC000015332633 1073608167 /nfs/dbraw/zinc/60/81/67/1073608167.db2.gz CKMXPWGBISPWGL-UHFFFAOYSA-N 0 0 411.530 1.598 20 0 HDADRN CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000015332153 1073608286 /nfs/dbraw/zinc/60/82/86/1073608286.db2.gz QSYIFUYKDUMNDQ-UHFFFAOYSA-N 0 0 412.533 1.989 20 0 HDADRN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000429111026 1073608711 /nfs/dbraw/zinc/60/87/11/1073608711.db2.gz DBQOOSLGLDCREW-UHFFFAOYSA-N 0 0 400.483 1.480 20 0 HDADRN CCNC(=O)CN1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000509123620 1073608834 /nfs/dbraw/zinc/60/88/34/1073608834.db2.gz GPEFUUMMFXVZGQ-LPHOPBHVSA-N 0 0 421.929 1.075 20 0 HDADRN O=C([C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCC[C@@H](n2ccnc2)C1 ZINC000673659009 1073611278 /nfs/dbraw/zinc/61/12/78/1073611278.db2.gz GJSQUGVADJYWIO-APWZRJJASA-N 0 0 422.489 1.596 20 0 HDADRN COc1ccc2cc(CN(C)S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc2c1 ZINC000015335046 1073611942 /nfs/dbraw/zinc/61/19/42/1073611942.db2.gz LTCAMQFEOQTWHW-UHFFFAOYSA-N 0 0 403.460 1.067 20 0 HDADRN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2c(C)noc2C(F)F)c1 ZINC000673661584 1073615694 /nfs/dbraw/zinc/61/56/94/1073615694.db2.gz IQYKCCXXXHCDDE-VIFPVBQESA-N 0 0 416.406 1.586 20 0 HDADRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3ccc(C)cc32)s1 ZINC000673661174 1073616297 /nfs/dbraw/zinc/61/62/97/1073616297.db2.gz GXYKHHQMBXNFOY-QGZVFWFLSA-N 0 0 421.544 1.775 20 0 HDADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(OC)CC2)o1 ZINC000509124865 1073616375 /nfs/dbraw/zinc/61/63/75/1073616375.db2.gz SFWFXVFTBMMHMT-CQSZACIVSA-N 0 0 414.480 1.247 20 0 HDADRN Cc1nnc(COCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)s1 ZINC000673665589 1073617956 /nfs/dbraw/zinc/61/79/56/1073617956.db2.gz RAADTMDOFWUJFX-UHFFFAOYSA-N 0 0 411.509 1.571 20 0 HDADRN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCOc2ccc(F)cc2)c1 ZINC000028332965 1073623231 /nfs/dbraw/zinc/62/32/31/1073623231.db2.gz JAQJOVYOGNRFPN-UHFFFAOYSA-N 0 0 411.407 1.756 20 0 HDADRN Cc1noc(C(F)F)c1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000673668753 1073623263 /nfs/dbraw/zinc/62/32/63/1073623263.db2.gz IVKCPNPWZSXUQZ-CYBMUJFWSA-N 0 0 422.436 1.946 20 0 HDADRN CCn1cnnc1CCNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000673664301 1073624619 /nfs/dbraw/zinc/62/46/19/1073624619.db2.gz MZVSDIPMJHPITH-HNNXBMFYSA-N 0 0 414.466 1.424 20 0 HDADRN Cc1nnc(CN2CCO[C@@](C)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)n1C1CC1 ZINC001108083209 1073627491 /nfs/dbraw/zinc/62/74/91/1073627491.db2.gz ALHFUYGTHOOCIL-VYUOOHEOSA-N 0 0 401.511 1.052 20 0 HDADRN Cc1nnc(CN(C)CC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1C ZINC000673671960 1073627527 /nfs/dbraw/zinc/62/75/27/1073627527.db2.gz XWJMBJKVFPEOPC-OAHLLOKOSA-N 0 0 424.427 1.496 20 0 HDADRN COCCc1noc(CS(=O)(=O)CC(=O)N[C@@H](C)c2ccccc2Cl)n1 ZINC000509125946 1073628207 /nfs/dbraw/zinc/62/82/07/1073628207.db2.gz NCABSZVIUMNJIZ-NSHDSACASA-N 0 0 401.872 1.704 20 0 HDADRN O=C([C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)N1CCOC[C@@H]1c1ccco1 ZINC000673674495 1073629397 /nfs/dbraw/zinc/62/93/97/1073629397.db2.gz UJHXZMZFELNMNR-IEBWSBKVSA-N 0 0 424.457 1.729 20 0 HDADRN NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(N3CCC(O)CC3)cc1)CC2 ZINC000673673607 1073629509 /nfs/dbraw/zinc/62/95/09/1073629509.db2.gz XTOKOJIZFBLUML-UHFFFAOYSA-N 0 0 401.488 1.498 20 0 HDADRN NS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)cc1Cl ZINC001299284528 1073631006 /nfs/dbraw/zinc/63/10/06/1073631006.db2.gz MCUDPOQJQQYUKB-UHFFFAOYSA-N 0 0 421.909 1.167 20 0 HDADRN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000673675366 1073631012 /nfs/dbraw/zinc/63/10/12/1073631012.db2.gz NFECARCDHAXASX-CTNGQTDRSA-N 0 0 408.550 1.768 20 0 HDADRN CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C(=O)OC)nn2)cc1 ZINC001128524958 1073634357 /nfs/dbraw/zinc/63/43/57/1073634357.db2.gz WSHJZSVKEHXFOX-OAHLLOKOSA-N 0 0 416.459 1.816 20 0 HDADRN CCO[C@H](CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(C)C ZINC000673692646 1073636089 /nfs/dbraw/zinc/63/60/89/1073636089.db2.gz JNAIEXNWUKWVCZ-QGZVFWFLSA-N 0 0 401.529 1.227 20 0 HDADRN Cn1cc(N2CCN(C(=O)c3oc4ccccc4c3CS(C)(=O)=O)CC2)cn1 ZINC000673693512 1073636193 /nfs/dbraw/zinc/63/61/93/1073636193.db2.gz REDSGVQZDDCVSK-UHFFFAOYSA-N 0 0 402.476 1.673 20 0 HDADRN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509125715 1073636829 /nfs/dbraw/zinc/63/68/29/1073636829.db2.gz SESRSCUETXOSDP-JQWIXIFHSA-N 0 0 423.304 1.632 20 0 HDADRN O=C(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2n1)Nc1nnc(-c2ccccn2)s1 ZINC000429113094 1073637561 /nfs/dbraw/zinc/63/75/61/1073637561.db2.gz JOQRBOQUZBEPKF-UHFFFAOYSA-N 0 0 410.419 1.934 20 0 HDADRN Cc1oc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c1C ZINC000673695945 1073638405 /nfs/dbraw/zinc/63/84/05/1073638405.db2.gz NVHPDLAGRRANRO-UHFFFAOYSA-N 0 0 418.475 1.933 20 0 HDADRN O=C(Nc1cnn(CC2CC2)c1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673684188 1073639049 /nfs/dbraw/zinc/63/90/49/1073639049.db2.gz LGUSICMPNPOUNK-SFHVURJKSA-N 0 0 408.462 1.781 20 0 HDADRN O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1ccon1 ZINC000014220954 1073640188 /nfs/dbraw/zinc/64/01/88/1073640188.db2.gz YQAKMPCQTZLHRM-UHFFFAOYSA-N 0 0 400.460 1.773 20 0 HDADRN C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)(C)O ZINC000673686097 1073640835 /nfs/dbraw/zinc/64/08/35/1073640835.db2.gz BLANOOUHPDMZNT-CYBMUJFWSA-N 0 0 400.497 1.182 20 0 HDADRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)(C)O ZINC000673688176 1073642162 /nfs/dbraw/zinc/64/21/62/1073642162.db2.gz XDTZDPATQAKEHE-CYBMUJFWSA-N 0 0 412.508 1.134 20 0 HDADRN O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccon1 ZINC000014222490 1073642222 /nfs/dbraw/zinc/64/22/22/1073642222.db2.gz LEXPQZLPYDNHTN-UHFFFAOYSA-N 0 0 419.290 1.926 20 0 HDADRN COC(=O)c1cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)ccn1 ZINC000429114586 1073644431 /nfs/dbraw/zinc/64/44/31/1073644431.db2.gz ZUOBAEAXWYRKPH-UHFFFAOYSA-N 0 0 406.236 1.791 20 0 HDADRN COc1ccc2[nH]cc(CCNS(=O)(=O)c3cccc(S(N)(=O)=O)c3)c2c1 ZINC000673697121 1073647605 /nfs/dbraw/zinc/64/76/05/1073647605.db2.gz RDXNSYIMMHXDQR-UHFFFAOYSA-N 0 0 409.489 1.345 20 0 HDADRN CNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)C(C)C)CC1 ZINC001299285429 1073651512 /nfs/dbraw/zinc/65/15/12/1073651512.db2.gz ONXQZHNLKNJXCT-QGZVFWFLSA-N 0 0 401.515 1.396 20 0 HDADRN COc1ccc(C(=O)N(C)c2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000673711094 1073651551 /nfs/dbraw/zinc/65/15/51/1073651551.db2.gz YWDGVUYYNPXONE-UHFFFAOYSA-N 0 0 409.464 1.598 20 0 HDADRN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1nnc2ccccn21 ZINC000673712097 1073651964 /nfs/dbraw/zinc/65/19/64/1073651964.db2.gz JULGFLBOCZPYPS-CQSZACIVSA-N 0 0 416.507 1.439 20 0 HDADRN CNS(=O)(=O)c1cc(NC(=O)CN(C)Cc2nnc3ccccn32)ccc1C ZINC000673711742 1073652792 /nfs/dbraw/zinc/65/27/92/1073652792.db2.gz DIXWBSLMKAIJLV-UHFFFAOYSA-N 0 0 402.480 1.016 20 0 HDADRN CC(=O)N1CCCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c2ccccc21 ZINC000673715043 1073654339 /nfs/dbraw/zinc/65/43/39/1073654339.db2.gz YWBAROAGQCWFTI-UHFFFAOYSA-N 0 0 402.476 1.536 20 0 HDADRN C[C@@H](On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1cccc(F)c1 ZINC000015392830 1073658944 /nfs/dbraw/zinc/65/89/44/1073658944.db2.gz CETVVDPVDACYKE-LLVKDONJSA-N 0 0 407.427 1.277 20 0 HDADRN CCCOc1nc2ccccc2cc1C(=O)NCCc1nnc2c(=O)n(C)ccn12 ZINC001626090716 1073659641 /nfs/dbraw/zinc/65/96/41/1073659641.db2.gz SUDULFPFMQZYES-UHFFFAOYSA-N 0 0 406.446 1.738 20 0 HDADRN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN(S(C)(=O)=O)CC1 ZINC000015400950 1073660316 /nfs/dbraw/zinc/66/03/16/1073660316.db2.gz CQSXCQVTKCRRJI-KRWDZBQOSA-N 0 0 401.532 1.858 20 0 HDADRN CCO[C@H](C)c1nc(CN2CCN(C(=O)c3cccn4c(=O)[nH]nc34)CC2)cs1 ZINC000509127743 1073663559 /nfs/dbraw/zinc/66/35/59/1073663559.db2.gz XIFXJACGQOXUQT-CYBMUJFWSA-N 0 0 416.507 1.947 20 0 HDADRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccncc3)CC2)c1 ZINC000028692798 1073664694 /nfs/dbraw/zinc/66/46/94/1073664694.db2.gz PEJICHNGQGDYFF-UHFFFAOYSA-N 0 0 416.547 1.711 20 0 HDADRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c(C)[nH]nc2C(F)(F)F)CC1 ZINC000673732130 1073665338 /nfs/dbraw/zinc/66/53/38/1073665338.db2.gz ALLNDGVUSHOHDS-UHFFFAOYSA-N 0 0 421.401 1.488 20 0 HDADRN CNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCO2)CC1 ZINC001299285916 1073667978 /nfs/dbraw/zinc/66/79/78/1073667978.db2.gz SSDDRQWGSPTXBJ-OAHLLOKOSA-N 0 0 405.528 1.274 20 0 HDADRN Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000673737109 1073669114 /nfs/dbraw/zinc/66/91/14/1073669114.db2.gz JXYCUOYXVKDOJZ-UHFFFAOYSA-N 0 0 410.400 1.601 20 0 HDADRN Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccnc4c3nnn4C)CC2)cc1 ZINC000509127476 1073669726 /nfs/dbraw/zinc/66/97/26/1073669726.db2.gz XVBUFEOYRREBEO-UHFFFAOYSA-N 0 0 414.491 1.255 20 0 HDADRN COc1ccc(CCNC(=O)C[S@](=O)Cc2ncnn2C(C)(C)C)cc1OC ZINC000509131960 1073672413 /nfs/dbraw/zinc/67/24/13/1073672413.db2.gz MKAOJGFQQFOWIG-MUUNZHRXSA-N 0 0 408.524 1.658 20 0 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0 HDADRN CSc1cccc(S(=O)(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 ZINC000509212266 1074141217 /nfs/dbraw/zinc/14/12/17/1074141217.db2.gz QCVXSEDYEFDQMN-OAHLLOKOSA-N 0 0 421.504 1.954 20 0 HDADRN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1 ZINC000674047984 1074141242 /nfs/dbraw/zinc/14/12/42/1074141242.db2.gz VJRUPIDLYLNCSL-HUUCEWRRSA-N 0 0 423.539 1.643 20 0 HDADRN CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000543571706 1074142012 /nfs/dbraw/zinc/14/20/12/1074142012.db2.gz HGCAZIHNQJDAEV-KRWDZBQOSA-N 0 0 416.499 1.889 20 0 HDADRN CC[C@H](CO)N(Cc1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1 ZINC001671057466 1074142079 /nfs/dbraw/zinc/14/20/79/1074142079.db2.gz HKUBYXBSWQWXKV-MRXNPFEDSA-N 0 0 412.533 1.557 20 0 HDADRN C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000543573351 1074143094 /nfs/dbraw/zinc/14/30/94/1074143094.db2.gz DVYCLVYBCAAZFN-VRKREXBASA-N 0 0 422.551 2.000 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509211501 1074143461 /nfs/dbraw/zinc/14/34/61/1074143461.db2.gz NAMMZUCYYXYKQZ-UHFFFAOYSA-N 0 0 402.425 1.606 20 0 HDADRN NS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000543573147 1074144020 /nfs/dbraw/zinc/14/40/20/1074144020.db2.gz WXGYAOOITMCHBJ-DOTOQJQBSA-N 0 0 421.450 1.448 20 0 HDADRN CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc2c(c1)OCCO2 ZINC000670462107 1074145509 /nfs/dbraw/zinc/14/55/09/1074145509.db2.gz ONVVESZCJOIIPR-OAHLLOKOSA-N 0 0 405.476 1.586 20 0 HDADRN O=C(Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000674055962 1074148661 /nfs/dbraw/zinc/14/86/61/1074148661.db2.gz JGSVMCHEIBKTOR-DGCLKSJQSA-N 0 0 422.429 1.915 20 0 HDADRN CCS(=O)(=O)N1CCC(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000543574667 1074149120 /nfs/dbraw/zinc/14/91/20/1074149120.db2.gz BLHNYDNHCDTSKI-UHFFFAOYSA-N 0 0 408.524 1.762 20 0 HDADRN C[C@H](CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1 ZINC000543574777 1074149134 /nfs/dbraw/zinc/14/91/34/1074149134.db2.gz DJWIIRXSUCAKPC-MRXNPFEDSA-N 0 0 415.515 1.780 20 0 HDADRN C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1)c1ccon1 ZINC000543575545 1074150240 /nfs/dbraw/zinc/15/02/40/1074150240.db2.gz KCCIHVQHAAGTLU-CYBMUJFWSA-N 0 0 402.476 1.608 20 0 HDADRN C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)c1ccon1 ZINC000543575567 1074150271 /nfs/dbraw/zinc/15/02/71/1074150271.db2.gz KLLMCSNTPXUSLJ-SECBINFHSA-N 0 0 401.814 1.997 20 0 HDADRN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C3CCCCC3)C2)c2ccccc2O1 ZINC000543573673 1074152419 /nfs/dbraw/zinc/15/24/19/1074152419.db2.gz IJCZEKPQKLPQOL-OALUTQOASA-N 0 0 416.474 1.761 20 0 HDADRN CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766058548 1074154507 /nfs/dbraw/zinc/15/45/07/1074154507.db2.gz UDRBQHGPBBYWRR-HUUCEWRRSA-N 0 0 410.492 1.312 20 0 HDADRN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000509217043 1074154535 /nfs/dbraw/zinc/15/45/35/1074154535.db2.gz IWTCOAXGMDXCRP-LLVKDONJSA-N 0 0 400.444 1.574 20 0 HDADRN CCOc1ccc(NC(=O)NC[C@@H](O)C(F)F)cc1S(=O)(=O)N(CC)CC ZINC000429217980 1074155022 /nfs/dbraw/zinc/15/50/22/1074155022.db2.gz BFCVWPPINVBHET-GFCCVEGCSA-N 0 0 409.455 1.863 20 0 HDADRN COc1ccc(CS(=O)(=O)C[C@H](O)COc2ccc(Br)cc2)nn1 ZINC000509216709 1074155954 /nfs/dbraw/zinc/15/59/54/1074155954.db2.gz HUIMROCMEHZOOW-CYBMUJFWSA-N 0 0 417.281 1.602 20 0 HDADRN COCCN1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O ZINC000509214384 1074156677 /nfs/dbraw/zinc/15/66/77/1074156677.db2.gz ZSXSYQOSEYLIKC-WMZOPIPTSA-N 0 0 412.893 1.725 20 0 HDADRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)N(C)CC(C)(C)C)CC3)C2=O)n(C)n1 ZINC000509217507 1074160411 /nfs/dbraw/zinc/16/04/11/1074160411.db2.gz KQIHVQGJKKGDNU-KRWDZBQOSA-N 0 0 404.559 1.939 20 0 HDADRN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCC=Cc2ccccc21 ZINC000466629429 1074163552 /nfs/dbraw/zinc/16/35/52/1074163552.db2.gz SJONTJHMVYUJGJ-UHFFFAOYSA-N 0 0 411.483 1.871 20 0 HDADRN Cn1nc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1OC(F)F ZINC000466630349 1074165049 /nfs/dbraw/zinc/16/50/49/1074165049.db2.gz YYBXDCOKPLUTBX-UHFFFAOYSA-N 0 0 400.407 1.509 20 0 HDADRN CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC3(CCOCC3)[C@@H]2C)cc1 ZINC000543579704 1074166607 /nfs/dbraw/zinc/16/66/07/1074166607.db2.gz CTYBIBASFJUUNK-AWEZNQCLSA-N 0 0 409.508 1.804 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(COC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 ZINC000766059004 1074167163 /nfs/dbraw/zinc/16/71/63/1074167163.db2.gz DTSZDPGUOTWWML-UHFFFAOYSA-N 0 0 415.471 1.470 20 0 HDADRN CS(=O)(=O)c1ccc(OCCCC(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 ZINC000466627294 1074167556 /nfs/dbraw/zinc/16/75/56/1074167556.db2.gz MAVMSBZATLYRLM-KRWDZBQOSA-N 0 0 412.508 1.036 20 0 HDADRN NC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C1CCOCC1 ZINC000466635015 1074168577 /nfs/dbraw/zinc/16/85/77/1074168577.db2.gz TWPMLROCVPMFBT-MJGOQNOKSA-N 0 0 419.497 1.394 20 0 HDADRN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NC[C@H](O)C(F)F ZINC000429219886 1074170755 /nfs/dbraw/zinc/17/07/55/1074170755.db2.gz ZAEVUJSESKJGET-HNNXBMFYSA-N 0 0 420.482 1.675 20 0 HDADRN C[C@H]1N(C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)CCC12CCOCC2 ZINC000543580912 1074171137 /nfs/dbraw/zinc/17/11/37/1074171137.db2.gz VOUIWQNDXVFOTD-OAHLLOKOSA-N 0 0 402.495 1.543 20 0 HDADRN CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CCC4(CCOCC4)[C@H]3C)cc21 ZINC000543580634 1074171265 /nfs/dbraw/zinc/17/12/65/1074171265.db2.gz GMVXWTZSKMSNNB-OAHLLOKOSA-N 0 0 412.490 1.743 20 0 HDADRN Cc1cnc([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)s1 ZINC000543582349 1074172735 /nfs/dbraw/zinc/17/27/35/1074172735.db2.gz RYFBUECSLWKOQK-LLVKDONJSA-N 0 0 410.521 1.560 20 0 HDADRN O=C(NCCCN1CCCC1=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000674057227 1074174896 /nfs/dbraw/zinc/17/48/96/1074174896.db2.gz SMZVXQIXRGGTTR-AWEZNQCLSA-N 0 0 409.512 1.254 20 0 HDADRN C[C@]1([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C2)NC(=O)NC1=O ZINC000674061773 1074176431 /nfs/dbraw/zinc/17/64/31/1074176431.db2.gz ZPEVKTJJBACWFI-QHRIQVFBSA-N 0 0 404.492 1.189 20 0 HDADRN CNC(=O)Nc1cccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC001128593547 1074177811 /nfs/dbraw/zinc/17/78/11/1074177811.db2.gz UPMLFIZYTOUYEH-UHFFFAOYSA-N 0 0 408.455 1.628 20 0 HDADRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000674079004 1074178181 /nfs/dbraw/zinc/17/81/81/1074178181.db2.gz UVKPPVFKAMAIEC-NQIIRXRSSA-N 0 0 416.497 1.677 20 0 HDADRN CN(Cc1nccn1C)C(=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000509220003 1074179298 /nfs/dbraw/zinc/17/92/98/1074179298.db2.gz XTUTYJBWPUFKDI-UHFFFAOYSA-N 0 0 405.296 1.989 20 0 HDADRN Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NC2CCN(CC(F)F)CC2)CCCC1 ZINC000674087052 1074180046 /nfs/dbraw/zinc/18/00/46/1074180046.db2.gz RXGRZLJHVSTNSN-UHFFFAOYSA-N 0 0 411.497 1.925 20 0 HDADRN CSc1nc2nc(C)c(CC(=O)N[C@@H]3CCC[C@@H]4CN(C(C)=O)C[C@@H]43)c(C)n2n1 ZINC000674090832 1074180525 /nfs/dbraw/zinc/18/05/25/1074180525.db2.gz ARDCYKLGFFBSFM-HYVNUMGLSA-N 0 0 416.551 1.769 20 0 HDADRN CCOc1ccccc1C(=O)NCC(=O)OCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000766061876 1074180547 /nfs/dbraw/zinc/18/05/47/1074180547.db2.gz RVARQLOBUUOIQN-UHFFFAOYSA-N 0 0 420.487 1.809 20 0 HDADRN CCc1cc(N2CCC(NC(=O)C(=O)N3CCC(c4cccnc4)CC3)CC2)ncn1 ZINC000674091168 1074181266 /nfs/dbraw/zinc/18/12/66/1074181266.db2.gz QMRRJGMUHCEZCO-UHFFFAOYSA-N 0 0 422.533 1.925 20 0 HDADRN C[C@H](NC(=O)C(=O)Nc1ccnn1-c1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000484951307 1074182725 /nfs/dbraw/zinc/18/27/25/1074182725.db2.gz HCTCYUJINRZTOH-HNNXBMFYSA-N 0 0 403.442 1.858 20 0 HDADRN CS(=O)(=O)Cc1ccccc1CNC(=O)Cn1nc(-c2ccccc2)oc1=O ZINC000674118847 1074183909 /nfs/dbraw/zinc/18/39/09/1074183909.db2.gz MEBORQXGGKQRMT-UHFFFAOYSA-N 0 0 401.444 1.364 20 0 HDADRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1ccc(N2CCCC2=O)cn1 ZINC000429220779 1074183973 /nfs/dbraw/zinc/18/39/73/1074183973.db2.gz KPDKJNPTFIBMML-QWQRMKEZSA-N 0 0 403.508 1.873 20 0 HDADRN COc1cc(OC)cc(N2C[C@H](C(=O)N[C@H](CCC(C)(C)C)C(N)=O)CC2=O)c1 ZINC001128614095 1074184423 /nfs/dbraw/zinc/18/44/23/1074184423.db2.gz IZLKQBCIHDJPPY-CXAGYDPISA-N 0 0 405.495 1.853 20 0 HDADRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CCC(C)(C)C)C(N)=O)C2=O)cc1 ZINC001128614901 1074184453 /nfs/dbraw/zinc/18/44/53/1074184453.db2.gz XICCYJPXIQUCRX-BTYIYWSLSA-N 0 0 402.495 1.558 20 0 HDADRN COc1cc(C(F)(F)F)ncc1NC(=O)c1cc2c(s1)n(C)c(=O)n(C)c2=O ZINC001128615655 1074184950 /nfs/dbraw/zinc/18/49/50/1074184950.db2.gz TUJOOTUKHFLVRY-UHFFFAOYSA-N 0 0 414.365 1.973 20 0 HDADRN COc1cnc(N(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 ZINC000509219801 1074185438 /nfs/dbraw/zinc/18/54/38/1074185438.db2.gz NIMBAIRRHSFHGQ-UHFFFAOYSA-N 0 0 412.493 1.095 20 0 HDADRN CCOC1CC(CNC(=O)c2ccn(CCC(F)(F)F)n2)(N2CCOCC2)C1 ZINC001128616386 1074185666 /nfs/dbraw/zinc/18/56/66/1074185666.db2.gz HRJCFSQJMVLCOU-UHFFFAOYSA-N 0 0 404.433 1.835 20 0 HDADRN COc1ccccc1CCNC(=O)CNC(=O)c1coc2c1C(=O)NCC(C)(C)C2 ZINC001128616690 1074185682 /nfs/dbraw/zinc/18/56/82/1074185682.db2.gz YUILIGBQMMNDFZ-UHFFFAOYSA-N 0 0 413.474 1.689 20 0 HDADRN CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)[C@@](C)(NC(C)=O)C(C)C)c2)n1 ZINC001128619637 1074186187 /nfs/dbraw/zinc/18/61/87/1074186187.db2.gz CRKBSAWSGNMFKJ-FQEVSTJZSA-N 0 0 401.467 1.815 20 0 HDADRN CCn1nc(C)c(CC(=O)N(C)c2ccc(S(=O)(=O)N(C)CCOC)cc2)c1C ZINC001128619843 1074186743 /nfs/dbraw/zinc/18/67/43/1074186743.db2.gz JOJAAJPXTFNKBM-UHFFFAOYSA-N 0 0 422.551 1.992 20 0 HDADRN Cn1nnnc1Sc1ccc(Br)cc1NC(=O)CCS(C)(=O)=O ZINC000509219604 1074187196 /nfs/dbraw/zinc/18/71/96/1074187196.db2.gz VDBXMOXACQITRD-UHFFFAOYSA-N 0 0 420.314 1.497 20 0 HDADRN COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)[C@@H]2CCc3ncncc3C2)cc1 ZINC001128620934 1074187266 /nfs/dbraw/zinc/18/72/66/1074187266.db2.gz RYQFFQOFUKZCEF-OAHLLOKOSA-N 0 0 418.519 1.511 20 0 HDADRN COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](C)c2ccncc2)cc1OC ZINC000674124600 1074189395 /nfs/dbraw/zinc/18/93/95/1074189395.db2.gz SZAABYJYCYSGAI-CQSZACIVSA-N 0 0 407.492 1.687 20 0 HDADRN COCCNS(=O)(=O)c1cc(NC(=O)C[C@H]2CCOC[C@@H]2OC)ccc1OC ZINC001128639136 1074194691 /nfs/dbraw/zinc/19/46/91/1074194691.db2.gz SFRKVAFXXJDVQQ-CJNGLKHVSA-N 0 0 416.496 1.000 20 0 HDADRN C[C@H](N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1)C(F)(F)F ZINC000674159994 1074196185 /nfs/dbraw/zinc/19/61/85/1074196185.db2.gz UTSHORCYNQPPQO-JTQLQIEISA-N 0 0 412.409 1.251 20 0 HDADRN COc1ccc(-c2cc(C(=O)N(C)[C@H](C)CN3CCOCC3)nn2C)cc1OC ZINC001128643443 1074201064 /nfs/dbraw/zinc/20/10/64/1074201064.db2.gz WCGHGPORMDDEAT-OAHLLOKOSA-N 0 0 402.495 1.897 20 0 HDADRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCCC[C@H]2CCc2ccccc2)C1 ZINC000670467648 1074201452 /nfs/dbraw/zinc/20/14/52/1074201452.db2.gz LTDQQRYPJLDQAU-SFHVURJKSA-N 0 0 407.536 1.008 20 0 HDADRN Nc1ccccc1S(=O)(=O)NCC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000670469090 1074203341 /nfs/dbraw/zinc/20/33/41/1074203341.db2.gz YIEUGRMPQRLGAT-MRXNPFEDSA-N 0 0 417.487 1.682 20 0 HDADRN Nc1ccccc1S(=O)(=O)NCC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000670469089 1074203348 /nfs/dbraw/zinc/20/33/48/1074203348.db2.gz YIEUGRMPQRLGAT-INIZCTEOSA-N 0 0 417.487 1.682 20 0 HDADRN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(Cl)o2)cc1 ZINC000674190185 1074204332 /nfs/dbraw/zinc/20/43/32/1074204332.db2.gz ZYPOTVKLDGDTDL-UHFFFAOYSA-N 0 0 415.855 1.113 20 0 HDADRN CCn1nnnc1-c1cccc(NC(=O)C(=O)N(CCO)CCc2ccccc2)c1 ZINC000674192901 1074205867 /nfs/dbraw/zinc/20/58/67/1074205867.db2.gz NDHBANQWBMDKAA-UHFFFAOYSA-N 0 0 408.462 1.362 20 0 HDADRN CCn1nnnc1-c1cccc(NC(=O)C(=O)N[C@@H]2CCOc3c(OC)cccc32)c1 ZINC000674192629 1074206221 /nfs/dbraw/zinc/20/62/21/1074206221.db2.gz GZGIGHVDBBUIQW-MRXNPFEDSA-N 0 0 422.445 1.947 20 0 HDADRN CCn1nnnc1-c1cccc(NC(=O)C(=O)NCc2c(C)cc(C)nc2OC)c1 ZINC000674192381 1074206673 /nfs/dbraw/zinc/20/66/73/1074206673.db2.gz BJSJEJDVQKHODT-UHFFFAOYSA-N 0 0 409.450 1.635 20 0 HDADRN CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCc2cn3cccc(C)c3n2)c1 ZINC000674193859 1074207583 /nfs/dbraw/zinc/20/75/83/1074207583.db2.gz GFFBXGKMJCGASN-UHFFFAOYSA-N 0 0 418.461 1.614 20 0 HDADRN CC(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000674197019 1074211201 /nfs/dbraw/zinc/21/12/01/1074211201.db2.gz DMUAABJLBOJWIV-UHFFFAOYSA-N 0 0 424.505 1.707 20 0 HDADRN CCOCCN1CCN(C(=O)C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 ZINC000674196496 1074211545 /nfs/dbraw/zinc/21/15/45/1074211545.db2.gz ZLWPEMKFTVGGJF-UHFFFAOYSA-N 0 0 406.502 1.935 20 0 HDADRN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000674197785 1074212432 /nfs/dbraw/zinc/21/24/32/1074212432.db2.gz BCELIMCPXFRIIZ-AWEZNQCLSA-N 0 0 417.491 1.294 20 0 HDADRN CC(C)[C@@H](NC(=O)C[C@H]1Cc2ccccc2O1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001128660861 1074213691 /nfs/dbraw/zinc/21/36/91/1074213691.db2.gz FNPVSTVURMJSPG-IIBYNOLFSA-N 0 0 411.506 1.717 20 0 HDADRN COCCOc1ccc(NC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000674199081 1074214140 /nfs/dbraw/zinc/21/41/40/1074214140.db2.gz XMCSIEHCRPIVRE-UHFFFAOYSA-N 0 0 413.478 1.594 20 0 HDADRN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1S(=O)(=O)N(C)C ZINC000674198741 1074214426 /nfs/dbraw/zinc/21/44/26/1074214426.db2.gz HOHFUWZIAJDRSA-AWEZNQCLSA-N 0 0 419.507 1.313 20 0 HDADRN COc1ccc(OCCCN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1 ZINC000674198376 1074215308 /nfs/dbraw/zinc/21/53/08/1074215308.db2.gz RTXOBWSFFAPPNL-NRFANRHFSA-N 0 0 422.445 1.907 20 0 HDADRN CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000674199631 1074216184 /nfs/dbraw/zinc/21/61/84/1074216184.db2.gz DCTRBOAAPKFWQW-UHFFFAOYSA-N 0 0 414.506 1.165 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)c1 ZINC000674201731 1074217157 /nfs/dbraw/zinc/21/71/57/1074217157.db2.gz CSHFYIWJNQJITQ-CYBMUJFWSA-N 0 0 423.470 1.075 20 0 HDADRN COc1cc(NC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)ccc1N1CCCC1=O ZINC000674202787 1074217629 /nfs/dbraw/zinc/21/76/29/1074217629.db2.gz FOGVDTUJTURVME-MRXNPFEDSA-N 0 0 411.462 1.821 20 0 HDADRN COc1cc(NC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)ccc1N1CCCC1=O ZINC000674202786 1074218089 /nfs/dbraw/zinc/21/80/89/1074218089.db2.gz FOGVDTUJTURVME-INIZCTEOSA-N 0 0 411.462 1.821 20 0 HDADRN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)CC1 ZINC000674202480 1074218547 /nfs/dbraw/zinc/21/85/47/1074218547.db2.gz VQTLACOEAUCLNX-LLVKDONJSA-N 0 0 409.355 1.804 20 0 HDADRN COCCOc1cc(NC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)ccc1OC ZINC000674202267 1074218589 /nfs/dbraw/zinc/21/85/89/1074218589.db2.gz QHNSIOQOTUMMOI-INIZCTEOSA-N 0 0 402.451 1.719 20 0 HDADRN O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000674203603 1074218989 /nfs/dbraw/zinc/21/89/89/1074218989.db2.gz CAWDKXQIWFETKE-INIZCTEOSA-N 0 0 406.442 1.112 20 0 HDADRN O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000674204852 1074219226 /nfs/dbraw/zinc/21/92/26/1074219226.db2.gz VPZOOPYXJFSAAH-OAHLLOKOSA-N 0 0 423.395 1.977 20 0 HDADRN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCc3c2cccc3O)CC1 ZINC000674203329 1074219480 /nfs/dbraw/zinc/21/94/80/1074219480.db2.gz JPTVLRLKLBTLCB-LJQANCHMSA-N 0 0 422.485 1.522 20 0 HDADRN Cc1c(NC(=O)C(=O)N2CCC[C@@H](CCO)C2)cccc1C(=O)N1CCOCC1 ZINC000674205559 1074221194 /nfs/dbraw/zinc/22/11/94/1074221194.db2.gz IGKGKWBKMBPAAU-INIZCTEOSA-N 0 0 403.479 1.027 20 0 HDADRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H](CCO)C3)cc2)C[C@H](C)O1 ZINC000674205672 1074221236 /nfs/dbraw/zinc/22/12/36/1074221236.db2.gz JEYOAWWPAALPMO-IXDOHACOSA-N 0 0 417.506 1.496 20 0 HDADRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)CC2(n3cnnn3)CCOCC2)CC1 ZINC001128666675 1074223523 /nfs/dbraw/zinc/22/35/23/1074223523.db2.gz DXTCDDRWYUQMRT-UHFFFAOYSA-N 0 0 420.514 1.642 20 0 HDADRN C[C@H](c1ccccc1)[C@@H](CO)NC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000674211894 1074224359 /nfs/dbraw/zinc/22/43/59/1074224359.db2.gz KTARPHVZRUTBKY-MLGOLLRUSA-N 0 0 424.906 1.963 20 0 HDADRN CC(C)[C@@H](NC(=O)c1cn2c(n1)C[C@@H](C)CC2)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001128661960 1074224993 /nfs/dbraw/zinc/22/49/93/1074224993.db2.gz ZSUXUGAKLUPJDI-IFXJQAMLSA-N 0 0 413.526 1.416 20 0 HDADRN Cc1ccccc1COCC(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC001128661834 1074225111 /nfs/dbraw/zinc/22/51/11/1074225111.db2.gz VQVVHBOXEBMPQN-OAQYLSRUSA-N 0 0 413.522 1.849 20 0 HDADRN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)ccc1C ZINC000674213608 1074225822 /nfs/dbraw/zinc/22/58/22/1074225822.db2.gz GNYJMAOHUMQFSC-YOEHRIQHSA-N 0 0 419.503 1.122 20 0 HDADRN COCCn1ncc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H](C)c3ccccc3)cc21 ZINC000674213192 1074226226 /nfs/dbraw/zinc/22/62/26/1074226226.db2.gz ALWUABWWCBHOIZ-BEFAXECRSA-N 0 0 410.474 1.902 20 0 HDADRN CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCCC1 ZINC000674214914 1074226582 /nfs/dbraw/zinc/22/65/82/1074226582.db2.gz RBUCEQKBOOOTRC-KRWDZBQOSA-N 0 0 400.479 1.281 20 0 HDADRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)N1CCCC1 ZINC000674214899 1074227050 /nfs/dbraw/zinc/22/70/50/1074227050.db2.gz QMMMADCMEKTEAF-WBMJQRKESA-N 0 0 402.451 1.108 20 0 HDADRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000674215180 1074227738 /nfs/dbraw/zinc/22/77/38/1074227738.db2.gz VHYNJTVBNHKOIK-SFHVURJKSA-N 0 0 416.522 1.835 20 0 HDADRN CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000674199193 1074230807 /nfs/dbraw/zinc/23/08/07/1074230807.db2.gz ZRNQBKNLYJXRMJ-UHFFFAOYSA-N 0 0 410.478 1.319 20 0 HDADRN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 ZINC000674200860 1074231210 /nfs/dbraw/zinc/23/12/10/1074231210.db2.gz SGKDBUXKMJSOMV-HNNXBMFYSA-N 0 0 412.494 1.605 20 0 HDADRN CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(CCCO)C1CC1 ZINC001626098512 1074231622 /nfs/dbraw/zinc/23/16/22/1074231622.db2.gz JYKOKSVBIMWFHF-UHFFFAOYSA-N 0 0 411.524 1.649 20 0 HDADRN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccncc1 ZINC000674225818 1074233603 /nfs/dbraw/zinc/23/36/03/1074233603.db2.gz BJSHZDBJWOTQAY-CQSZACIVSA-N 0 0 402.476 1.480 20 0 HDADRN CC(C)N(C)S(=O)(=O)c1ccc(N(C)C(=O)c2cnc3[nH]c(=O)[nH]c3c2)cc1 ZINC001128675382 1074234278 /nfs/dbraw/zinc/23/42/78/1074234278.db2.gz TWDNSOGLPDXAIZ-UHFFFAOYSA-N 0 0 403.464 1.969 20 0 HDADRN C[C@H](N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1)C(F)(F)F ZINC000674226336 1074234346 /nfs/dbraw/zinc/23/43/46/1074234346.db2.gz PZSIDAQNAHGREU-LBPRGKRZSA-N 0 0 401.385 1.881 20 0 HDADRN COC(=O)c1cccc(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c1Br ZINC001128675746 1074235223 /nfs/dbraw/zinc/23/52/23/1074235223.db2.gz BFZYICJXJMWUBR-CQSZACIVSA-N 0 0 405.270 1.646 20 0 HDADRN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1ccncc1 ZINC000674229564 1074235873 /nfs/dbraw/zinc/23/58/73/1074235873.db2.gz IPDLLFNZMVLEBX-ZDUSSCGKSA-N 0 0 420.466 1.619 20 0 HDADRN CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1C ZINC000674230884 1074236440 /nfs/dbraw/zinc/23/64/40/1074236440.db2.gz SQUMJHJYUBZJOT-QGZVFWFLSA-N 0 0 402.495 1.381 20 0 HDADRN Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)nc(C)n1 ZINC000674230494 1074236668 /nfs/dbraw/zinc/23/66/68/1074236668.db2.gz YKQGRMMLHDZROJ-UHFFFAOYSA-N 0 0 420.477 1.398 20 0 HDADRN CC(C)CN(C(=O)CN1CCC(=O)Nc2cc(F)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000674234402 1074237831 /nfs/dbraw/zinc/23/78/31/1074237831.db2.gz ZRFUFTHHYFMMHJ-HNNXBMFYSA-N 0 0 411.499 1.646 20 0 HDADRN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(CN2CCCC2=O)cc1)C(=O)N1CCCC1 ZINC000674219628 1074238884 /nfs/dbraw/zinc/23/88/84/1074238884.db2.gz QTJOFBVATBDQTN-IBGZPJMESA-N 0 0 414.506 1.511 20 0 HDADRN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)c1C ZINC000674221131 1074239003 /nfs/dbraw/zinc/23/90/03/1074239003.db2.gz ZTFMIRZZOGRLAL-KSSFIOAISA-N 0 0 419.503 1.170 20 0 HDADRN CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@@H]3CCCN3C(=O)C(C)(C)C)CC2)n1 ZINC000674255213 1074240982 /nfs/dbraw/zinc/24/09/82/1074240982.db2.gz CQMXBMZTPQKIHJ-CVEARBPZSA-N 0 0 421.542 1.848 20 0 HDADRN CC(C)(CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12)NS(C)(=O)=O ZINC000674241465 1074241796 /nfs/dbraw/zinc/24/17/96/1074241796.db2.gz FCSIOXKXPHTWPI-UHFFFAOYSA-N 0 0 416.297 1.761 20 0 HDADRN COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1cnc2ncccc2c1=O ZINC000674242884 1074241812 /nfs/dbraw/zinc/24/18/12/1074241812.db2.gz BRIQPOFRVRRELO-UHFFFAOYSA-N 0 0 423.473 1.522 20 0 HDADRN 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HDADRN Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)CCN2CCCS2(=O)=O)cc1 ZINC000674761525 1074550819 /nfs/dbraw/zinc/55/08/19/1074550819.db2.gz IJCQKQGZPBPRNU-HNNXBMFYSA-N 0 0 405.524 1.919 20 0 HDADRN COc1ccc(CCNC(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000670482413 1074550900 /nfs/dbraw/zinc/55/09/00/1074550900.db2.gz BXINTVAUPCNOQS-UHFFFAOYSA-N 0 0 404.488 1.215 20 0 HDADRN Cc1cnc([C@H](C)NC(=O)C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)s1 ZINC000674773706 1074551763 /nfs/dbraw/zinc/55/17/63/1074551763.db2.gz UZTOJJABGIYUJT-RYUDHWBXSA-N 0 0 410.521 1.496 20 0 HDADRN Cc1cnc([C@H](C)NC(=O)C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)s1 ZINC000674773704 1074551936 /nfs/dbraw/zinc/55/19/36/1074551936.db2.gz UZTOJJABGIYUJT-NWDGAFQWSA-N 0 0 410.521 1.496 20 0 HDADRN COCC1(CNC(=O)[C@@]2(C)CCCS2(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001128820189 1074553197 /nfs/dbraw/zinc/55/31/97/1074553197.db2.gz XMYZHRULGXIEEC-GOSISDBHSA-N 0 0 418.556 1.734 20 0 HDADRN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000674761919 1074555499 /nfs/dbraw/zinc/55/54/99/1074555499.db2.gz AECUUADURAXKAX-UHFFFAOYSA-N 0 0 418.457 1.757 20 0 HDADRN Cn1cc(Br)cc(NC(=O)C(=O)NC[C@@H]2OCCc3ccccc32)c1=O ZINC000674763095 1074556519 /nfs/dbraw/zinc/55/65/19/1074556519.db2.gz JDKOLDHFEROEMR-HNNXBMFYSA-N 0 0 420.263 1.517 20 0 HDADRN O=C(NCCc1nnc2n1CCC2)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000674762859 1074557104 /nfs/dbraw/zinc/55/71/04/1074557104.db2.gz YPRGPCOLOSAFKM-QGZVFWFLSA-N 0 0 418.929 1.481 20 0 HDADRN O=C(Nc1cnn(-c2ccccn2)c1)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000674764256 1074557936 /nfs/dbraw/zinc/55/79/36/1074557936.db2.gz SZHOKPFCTZIPPT-GOSISDBHSA-N 0 0 401.430 1.960 20 0 HDADRN Cn1cc(Br)cc(NC(=O)C(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c1=O ZINC000674763935 1074558716 /nfs/dbraw/zinc/55/87/16/1074558716.db2.gz KWZRKXXMNMRRPU-KDOFPFPSSA-N 0 0 404.264 1.933 20 0 HDADRN CN(Cc1ccncc1)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000674765631 1074558944 /nfs/dbraw/zinc/55/89/44/1074558944.db2.gz 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Cc1nnc(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000674783679 1074563374 /nfs/dbraw/zinc/56/33/74/1074563374.db2.gz MSCNUEKBVBMWHS-SECBINFHSA-N 0 0 402.270 1.867 20 0 HDADRN CC(C)C[C@]1(C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)CCNC1=O ZINC001128824108 1074564288 /nfs/dbraw/zinc/56/42/88/1074564288.db2.gz CVROQOGDFSYCPC-HXUWFJFHSA-N 0 0 407.536 1.374 20 0 HDADRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccnc1OCc1ccccc1 ZINC000674783869 1074564461 /nfs/dbraw/zinc/56/44/61/1074564461.db2.gz UUSIJGMIVCFNRP-AWEZNQCLSA-N 0 0 415.475 1.700 20 0 HDADRN Nn1c(COc2ccccc2)nnc1SCc1nnnn1CC1CCOCC1 ZINC000766068016 1074564858 /nfs/dbraw/zinc/56/48/58/1074564858.db2.gz NAWGZJJTHCNILF-UHFFFAOYSA-N 0 0 402.484 1.276 20 0 HDADRN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)c1coc3c1C(=O)NCCC3)C2 ZINC001128824238 1074565323 /nfs/dbraw/zinc/56/53/23/1074565323.db2.gz FAJAPJFOJNIFLO-UHFFFAOYSA-N 0 0 417.487 1.404 20 0 HDADRN Cc1cc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c2cnn(C)c2n1 ZINC001128825623 1074568220 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417.487 1.724 20 0 HDADRN O=C(COC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)N1CCOC[C@@H]1C1CC1 ZINC000766074896 1074582809 /nfs/dbraw/zinc/58/28/09/1074582809.db2.gz IKLWOPHMFKUJOP-MSOLQXFVSA-N 0 0 402.447 1.598 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(COC(=O)CCn2cnc3sccc3c2=O)cc1 ZINC000766076649 1074583287 /nfs/dbraw/zinc/58/32/87/1074583287.db2.gz OWTNMJPAWFKLGW-UHFFFAOYSA-N 0 0 421.500 1.842 20 0 HDADRN CN(C[C@H](O)C1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000674817159 1074583644 /nfs/dbraw/zinc/58/36/44/1074583644.db2.gz DWNFTGUQOPWIEZ-KRWDZBQOSA-N 0 0 402.463 1.595 20 0 HDADRN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000674819660 1074584357 /nfs/dbraw/zinc/58/43/57/1074584357.db2.gz BBFTZYHVPDXKKN-MRXNPFEDSA-N 0 0 421.501 1.811 20 0 HDADRN CS(=O)(=O)NCCc1ccc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000674820861 1074585097 /nfs/dbraw/zinc/58/50/97/1074585097.db2.gz QYMRIFCTZMLDFI-INIZCTEOSA-N 0 0 406.483 1.321 20 0 HDADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000674841042 1074586305 /nfs/dbraw/zinc/58/63/05/1074586305.db2.gz DUAQNANOSBOSSA-KRWDZBQOSA-N 0 0 415.515 1.816 20 0 HDADRN Cn1c2ccccc2n(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCCC2)c1=O ZINC001128843591 1074587729 /nfs/dbraw/zinc/58/77/29/1074587729.db2.gz GEQCMUXEZYPMID-MRXNPFEDSA-N 0 0 400.479 1.954 20 0 HDADRN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000674836259 1074588357 /nfs/dbraw/zinc/58/83/57/1074588357.db2.gz QFPIZZDMNCZIBV-KGLIPLIRSA-N 0 0 401.435 1.000 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(COC(=O)C[C@H](NC(N)=O)c2ccccc2)cc1 ZINC000766078658 1074588391 /nfs/dbraw/zinc/58/83/91/1074588391.db2.gz XSJSJLKABLJMNR-KRWDZBQOSA-N 0 0 405.476 1.780 20 0 HDADRN CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000674855244 1074588910 /nfs/dbraw/zinc/58/89/10/1074588910.db2.gz MIDSRROMFQZLCY-SFHVURJKSA-N 0 0 414.510 1.908 20 0 HDADRN C[C@]1(CC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCS(=O)(=O)N1 ZINC001128856839 1074593719 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CC(C)(CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCCCO1 ZINC000675174001 1074749005 /nfs/dbraw/zinc/74/90/05/1074749005.db2.gz QTNQZMSJBJGGHO-YOEHRIQHSA-N 0 0 423.535 1.398 20 0 HDADRN Cc1cc(NC(=O)C(=O)NCCc2ccc(O)cc2)nn1-c1ccc(F)cc1F ZINC000564180401 1074748994 /nfs/dbraw/zinc/74/89/94/1074748994.db2.gz MPXQLKBYBMHEDO-UHFFFAOYSA-N 0 0 400.385 2.462 20 0 HDADRN CN1CCN(C(=O)c2cc(NC(=O)NCc3nnc(C(C)(C)C)s3)ccn2)CC1 ZINC000543616023 1074749116 /nfs/dbraw/zinc/74/91/16/1074749116.db2.gz BSPKCWCMEBDKBJ-UHFFFAOYSA-N 0 0 417.539 1.940 20 0 HDADRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)N(CCO)CCN1CCOCC1 ZINC000485559938 1074749228 /nfs/dbraw/zinc/74/92/28/1074749228.db2.gz GUIHEFOECSGINZ-LJQANCHMSA-N 0 0 411.518 1.955 20 0 HDADRN CCN(CCCNC(=O)C(=O)NCCc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000670494559 1074749724 /nfs/dbraw/zinc/74/97/24/1074749724.db2.gz FDQKGZOVPZZLOA-UHFFFAOYSA-N 0 0 424.350 1.440 20 0 HDADRN COC(=O)Cn1ccc(NC(=O)N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)n1 ZINC000467922729 1074750128 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415.490 1.986 20 0 HDADRN CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000429324409 1074764858 /nfs/dbraw/zinc/76/48/58/1074764858.db2.gz DUQSYOWOWWYUQJ-QGZVFWFLSA-N 0 0 408.524 1.850 20 0 HDADRN O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001128959119 1074765408 /nfs/dbraw/zinc/76/54/08/1074765408.db2.gz ZOPRBOIJBQTOLJ-OCCSQVGLSA-N 0 0 421.255 1.425 20 0 HDADRN COC(=O)[C@@H](CNC(=O)C(=O)Nc1noc(C)c1C)Cc1cccc2ccccc21 ZINC000572502099 1074765534 /nfs/dbraw/zinc/76/55/34/1074765534.db2.gz IBPDEASIBGJIOZ-QGZVFWFLSA-N 0 0 409.442 2.531 20 0 HDADRN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)[C@@H]2CCCCO2)c1 ZINC000675213374 1074765784 /nfs/dbraw/zinc/76/57/84/1074765784.db2.gz UUHVTKODXMDNJY-INIZCTEOSA-N 0 0 411.524 1.587 20 0 HDADRN COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccccc2)n1)Cc1ccc(O)cc1 ZINC000612254344 1074765811 /nfs/dbraw/zinc/76/58/11/1074765811.db2.gz FJBWEPZGJNOXLF-MRXNPFEDSA-N 0 0 422.441 1.665 20 0 HDADRN 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/nfs/dbraw/zinc/53/35/26/1074533526.db2.gz DNGJSYGPMMJZDQ-KRWDZBQOSA-N 0 0 405.520 1.343 20 0 HDADRN CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000674715973 1074534319 /nfs/dbraw/zinc/53/43/19/1074534319.db2.gz QREBJUMUTSMZRT-UHFFFAOYSA-N 0 0 416.352 1.247 20 0 HDADRN CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000674715864 1074534372 /nfs/dbraw/zinc/53/43/72/1074534372.db2.gz QEQGRVQBQSPHKR-HNNXBMFYSA-N 0 0 407.558 1.573 20 0 HDADRN O=C(COc1cccc(N2CCCC2=O)c1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000766065647 1074534723 /nfs/dbraw/zinc/53/47/23/1074534723.db2.gz RXYYYIMBCXJYAQ-GOSISDBHSA-N 0 0 402.447 1.373 20 0 HDADRN COc1cccc2c1OC[C@@H](NC(=O)NC1CCN(S(=O)(=O)C3CC3)CC1)C2 ZINC000674706016 1074535394 /nfs/dbraw/zinc/53/53/94/1074535394.db2.gz XTROXPOVUHTDDU-HNNXBMFYSA-N 0 0 409.508 1.255 20 0 HDADRN COC(=O)N1CCC(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)CC1 ZINC001128794609 1074535711 /nfs/dbraw/zinc/53/57/11/1074535711.db2.gz ZFPSXDAMAAKTGB-UHFFFAOYSA-N 0 0 401.467 1.852 20 0 HDADRN CC(=O)NCCc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC000674710578 1074536640 /nfs/dbraw/zinc/53/66/40/1074536640.db2.gz WHBDRSZMTRJPHM-ROUUACIJSA-N 0 0 414.549 1.096 20 0 HDADRN CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2cc(=O)[nH]c3ccccc23)cc1 ZINC000674724552 1074540514 /nfs/dbraw/zinc/54/05/14/1074540514.db2.gz VONZFTPIMWCDGX-UHFFFAOYSA-N 0 0 414.487 1.989 20 0 HDADRN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001128799845 1074540679 /nfs/dbraw/zinc/54/06/79/1074540679.db2.gz FZBSMFWLGFUQKV-XJKSGUPXSA-N 0 0 420.311 1.965 20 0 HDADRN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 ZINC001128800317 1074540704 /nfs/dbraw/zinc/54/07/04/1074540704.db2.gz KUHPSOPQTVLWAD-HOTGVXAUSA-N 0 0 422.530 1.128 20 0 HDADRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000674726226 1074541564 /nfs/dbraw/zinc/54/15/64/1074541564.db2.gz RZAMXEJIPQVFHL-YWZLYKJASA-N 0 0 402.451 1.539 20 0 HDADRN C[C@@H]1C[C@H](NC(=O)N(CCCO)[C@@H]2CCc3ccccc32)C(=O)N1c1cnn(C)c1 ZINC000674726131 1074541589 /nfs/dbraw/zinc/54/15/89/1074541589.db2.gz QDXFFEYOVRXSAE-UIAACRFSSA-N 0 0 411.506 1.995 20 0 HDADRN CN(C)S(=O)(=O)C[C@H](NC(=O)c1nscc1Br)C(F)(F)F ZINC001128806171 1074542412 /nfs/dbraw/zinc/54/24/12/1074542412.db2.gz OQJCFNFYPFYPTD-LURJTMIESA-N 0 0 410.237 1.458 20 0 HDADRN C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000142352145 1074544103 /nfs/dbraw/zinc/54/41/03/1074544103.db2.gz JWIFOWNOLUFIMU-AWEZNQCLSA-N 0 0 405.499 1.382 20 0 HDADRN NS(=O)(=O)c1cnn(CCC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000674740448 1074544127 /nfs/dbraw/zinc/54/41/27/1074544127.db2.gz VXQQQDYNBWSJOI-UHFFFAOYSA-N 0 0 416.425 1.641 20 0 HDADRN CS(=O)(=O)N1CCN(CCNC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000142355345 1074544404 /nfs/dbraw/zinc/54/44/04/1074544404.db2.gz PFTQPKBIQDQDNZ-UHFFFAOYSA-N 0 0 410.323 1.066 20 0 HDADRN O=C(N[C@@H]1CCCc2c1cnn2CCO)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000674743783 1074545273 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1.871 20 0 HDADRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)cn2)CC1 ZINC000674757344 1074549606 /nfs/dbraw/zinc/54/96/06/1074549606.db2.gz CTFSQZGHGTWVDQ-DOTOQJQBSA-N 0 0 407.540 1.960 20 0 HDADRN COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-n3cnnn3)c(C)c2)cc(OC)c1 ZINC000674758033 1074550458 /nfs/dbraw/zinc/55/04/58/1074550458.db2.gz IKBCCFZNHWDAFG-MRXNPFEDSA-N 0 0 411.462 1.569 20 0 HDADRN COc1cc(C[C@H](CO)CNC(=O)c2ccc(Cn3cncn3)cc2)cc(OC)c1 ZINC000674759057 1074550840 /nfs/dbraw/zinc/55/08/40/1074550840.db2.gz YSGZSKAASZSFEM-SFHVURJKSA-N 0 0 410.474 1.925 20 0 HDADRN COc1cc(C[C@@H](CO)CNC(=O)c2ccc(S(N)(=O)=O)c(C)c2)cc(OC)c1 ZINC000674758946 1074550959 /nfs/dbraw/zinc/55/09/59/1074550959.db2.gz WNFPZSBAFMOCEJ-OAHLLOKOSA-N 0 0 422.503 1.241 20 0 HDADRN CC(=O)c1ccnc(N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000674748145 1074551363 /nfs/dbraw/zinc/55/13/63/1074551363.db2.gz PGACZOZCZFICQD-UHFFFAOYSA-N 0 0 402.476 1.787 20 0 HDADRN O=C(NCCCn1nc2n(c1=O)CCCC2)NC1CCN(c2cccs2)CC1 ZINC000674774287 1074552376 /nfs/dbraw/zinc/55/23/76/1074552376.db2.gz YUJJFURIJAKGFS-UHFFFAOYSA-N 0 0 404.540 1.801 20 0 HDADRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000674779012 1074553761 /nfs/dbraw/zinc/55/37/61/1074553761.db2.gz UECFWGAOMXXZOE-UONOGXRCSA-N 0 0 417.491 1.634 20 0 HDADRN CC(C)(C)OC(=O)NCc1nnc(SCc2nnnn2CC2CCOCC2)o1 ZINC000766066906 1074553945 /nfs/dbraw/zinc/55/39/45/1074553945.db2.gz KHQBUEYQCINFSB-UHFFFAOYSA-N 0 0 411.488 1.800 20 0 HDADRN COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000674762244 1074555475 /nfs/dbraw/zinc/55/54/75/1074555475.db2.gz WFVVSVMADPXTBV-UHFFFAOYSA-N 0 0 412.446 1.566 20 0 HDADRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000674763644 1074555534 /nfs/dbraw/zinc/55/55/34/1074555534.db2.gz FDLAGRZZLFONTP-MRXNPFEDSA-N 0 0 417.535 1.071 20 0 HDADRN COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)c2c1 ZINC000674763067 1074556485 /nfs/dbraw/zinc/55/64/85/1074556485.db2.gz HJRSNIHMSOMHPZ-UHFFFAOYSA-N 0 0 405.418 1.450 20 0 HDADRN Cc1ccc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)C2)cc1 ZINC000674764709 1074558921 /nfs/dbraw/zinc/55/89/21/1074558921.db2.gz KKJXIRGRIVFNAW-GOSISDBHSA-N 0 0 411.506 1.700 20 0 HDADRN COCCCn1ccc(NC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1 ZINC000674765181 1074559619 /nfs/dbraw/zinc/55/96/19/1074559619.db2.gz VLKISHASEAQQQA-CQSZACIVSA-N 0 0 421.448 1.779 20 0 HDADRN O=C(CC1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1)NC1CCCC1 ZINC000674765409 1074559663 /nfs/dbraw/zinc/55/96/63/1074559663.db2.gz XHAYYFSHVCUCCZ-UHFFFAOYSA-N 0 0 424.505 1.893 20 0 HDADRN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001128816130 1074560942 /nfs/dbraw/zinc/56/09/42/1074560942.db2.gz SBXSPJDVXFBFCF-HNNXBMFYSA-N 0 0 403.483 1.991 20 0 HDADRN CN(C)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)ccc1F ZINC001128822839 1074562204 /nfs/dbraw/zinc/56/22/04/1074562204.db2.gz GGYLSPXBVBUDHE-BFUOFWGJSA-N 0 0 403.435 1.925 20 0 HDADRN CN(C)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)ccc1F ZINC001128822842 1074562257 /nfs/dbraw/zinc/56/22/57/1074562257.db2.gz GGYLSPXBVBUDHE-YJYMSZOUSA-N 0 0 403.435 1.925 20 0 HDADRN C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NCCCn1cncn1 ZINC000674781258 1074562628 /nfs/dbraw/zinc/56/26/28/1074562628.db2.gz UOYXWBNANBMXOX-LBPRGKRZSA-N 0 0 415.313 1.657 20 0 HDADRN Cc1nc(-c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)cc2)oc1C ZINC000674782730 1074563023 /nfs/dbraw/zinc/56/30/23/1074563023.db2.gz XJHWMTNLOBGFNT-GFCCVEGCSA-N 0 0 403.464 1.997 20 0 HDADRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000674785677 1074564934 /nfs/dbraw/zinc/56/49/34/1074564934.db2.gz HJJLWYWTSRNJOC-SJLPKXTDSA-N 0 0 412.527 1.949 20 0 HDADRN Nn1c(SCc2nnnn2CC2CCOCC2)nnc1SCc1ccccc1 ZINC000766069994 1074565293 /nfs/dbraw/zinc/56/52/93/1074565293.db2.gz YYRHKAQYXVQKFB-UHFFFAOYSA-N 0 0 418.552 1.990 20 0 HDADRN Cc1c(NC(=O)NCCS(=O)(=O)CC2CC2)cccc1S(=O)(=O)NC1CC1 ZINC000766069670 1074566747 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406.421 2.461 20 0 HDADRN COC(=O)Cn1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000468997274 1074760033 /nfs/dbraw/zinc/76/00/33/1074760033.db2.gz NOBZTYDZOXILOX-UHFFFAOYSA-N 0 0 414.809 2.004 20 0 HDADRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000675218794 1074760451 /nfs/dbraw/zinc/76/04/51/1074760451.db2.gz AYTAUAJYVOOYHC-IEBWSBKVSA-N 0 0 421.563 1.796 20 0 HDADRN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)N1CCN([C@@H]2CCOC2)CC1 ZINC000675218932 1074760650 /nfs/dbraw/zinc/76/06/50/1074760650.db2.gz MIFJHAODFPQOQV-OAHLLOKOSA-N 0 0 416.547 1.660 20 0 HDADRN CC[C@@H](C(=O)N1CCN([C@H]2CCOC2)CC1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000675218506 1074761133 /nfs/dbraw/zinc/76/11/33/1074761133.db2.gz LCTRQPRCQOSREK-IRXDYDNUSA-N 0 0 404.902 1.878 20 0 HDADRN O=C(c1ccc(Cl)cc1)N1CSC[C@@H]1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000675218602 1074761145 /nfs/dbraw/zinc/76/11/45/1074761145.db2.gz POSWBYWFSZIRKM-DLBZAZTESA-N 0 0 409.939 1.788 20 0 HDADRN O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000675220060 1074761303 /nfs/dbraw/zinc/76/13/03/1074761303.db2.gz YKAMXFCXIXSVBV-MJGOQNOKSA-N 0 0 407.536 1.163 20 0 HDADRN O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN([C@H]2CCOC2)CC1 ZINC000675219230 1074761603 /nfs/dbraw/zinc/76/16/03/1074761603.db2.gz IMDQJOCASDZUFO-HNNXBMFYSA-N 0 0 413.565 1.008 20 0 HDADRN Cc1cc(NC(=O)C(=O)NCc2n[nH]cc2Br)nn1C1CCCCC1 ZINC000583234516 1074762017 /nfs/dbraw/zinc/76/20/17/1074762017.db2.gz SCNKIZNXZTYVIU-UHFFFAOYSA-N 0 0 409.288 2.437 20 0 HDADRN Cc1cc(NC(=O)C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)no1 ZINC000531160932 1074762853 /nfs/dbraw/zinc/76/28/53/1074762853.db2.gz NSVUHNRVYTYXCJ-UHFFFAOYSA-N 0 0 402.720 1.953 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)nn1-c1cccc(F)c1 ZINC000556286833 1074763304 /nfs/dbraw/zinc/76/33/04/1074763304.db2.gz QSMQTKOZZHWCSO-AUUYWEPGSA-N 0 0 423.448 2.032 20 0 HDADRN COc1cccc(CCC(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1OC ZINC000142722610 1074763567 /nfs/dbraw/zinc/76/35/67/1074763567.db2.gz PAIBTBUIRKITSR-HNNXBMFYSA-N 0 0 403.431 1.921 20 0 HDADRN COCc1ccc([C@H]2CCCN2C(=O)Cn2cc(Br)c(=O)[nH]c2=O)o1 ZINC000466667961 1074763526 /nfs/dbraw/zinc/76/35/26/1074763526.db2.gz BJGWKAREXCLBPE-GFCCVEGCSA-N 0 0 412.240 1.815 20 0 HDADRN C[C@H](C(=O)NC[C@H]1Cc2ccccc2O1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001128959029 1074763919 /nfs/dbraw/zinc/76/39/19/1074763919.db2.gz JQGXHFWYRIJPBE-GDBMZVCRSA-N 0 0 403.479 1.574 20 0 HDADRN COCCCn1nc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)ccc1=O ZINC001128958931 1074763937 /nfs/dbraw/zinc/76/39/37/1074763937.db2.gz XPSKLQUGMXJSJR-RDJZCZTQSA-N 0 0 401.463 1.430 20 0 HDADRN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC(C)(C)[C@@H]2CCCCO2)ccc1C ZINC000675211149 1074764276 /nfs/dbraw/zinc/76/42/76/1074764276.db2.gz BACKNFNNDAXDSK-INIZCTEOSA-N 0 0 411.524 1.553 20 0 HDADRN CC(C)(CNC(=O)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCCO1 ZINC000675211916 1074764297 /nfs/dbraw/zinc/76/42/97/1074764297.db2.gz KEHFYGJSPBFGGT-QGZVFWFLSA-N 0 0 423.535 1.877 20 0 HDADRN CC(C)(CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCCCO1 ZINC000675211227 1074764602 /nfs/dbraw/zinc/76/46/02/1074764602.db2.gz KBNCTYKVJUBFTE-INIZCTEOSA-N 0 0 416.478 1.388 20 0 HDADRN CN1CCN(C(=O)c2cc(NC(=O)NCCc3c[nH]c4ncccc34)ccn2)CC1 ZINC000543616956 1074764745 /nfs/dbraw/zinc/76/47/45/1074764745.db2.gz PYJUGEBZALKYEC-UHFFFAOYSA-N 0 0 407.478 1.710 20 0 HDADRN COC(=O)[C@@H](C)[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1)c1ccccc1 ZINC000527439981 1074764831 /nfs/dbraw/zinc/76/48/31/1074764831.db2.gz HHKZSPPIHHSYJB-MAUKXSAKSA-N 0 0 421.457 1.932 20 0 HDADRN CC(C)(CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCCCO1 ZINC000675213174 1074765299 /nfs/dbraw/zinc/76/52/99/1074765299.db2.gz SEXKXEAARRDYGY-GOSISDBHSA-N 0 0 417.506 1.809 20 0 HDADRN CC(C)(CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCCO1 ZINC000675213302 1074765695 /nfs/dbraw/zinc/76/56/95/1074765695.db2.gz UEWDSJQHTMMAOU-KRWDZBQOSA-N 0 0 423.535 1.777 20 0 HDADRN CN(c1ccc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)S(C)(=O)=O ZINC000675225905 1074766165 /nfs/dbraw/zinc/76/61/65/1074766165.db2.gz IOJFUOXTNPZOBY-UHFFFAOYSA-N 0 0 417.466 1.791 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)nn1-c1cc(C)cc(C)c1 ZINC000579934753 1074766397 /nfs/dbraw/zinc/76/63/97/1074766397.db2.gz QUOWLUWMYDWEOM-AEFFLSMTSA-N 0 0 416.522 2.010 20 0 HDADRN O=c1ccc2cc(S(=O)(=O)NCCNc3ncnc4sccc43)ccc2[nH]1 ZINC000675228323 1074766564 /nfs/dbraw/zinc/76/65/64/1074766564.db2.gz OVZYKHYGTIXRCD-UHFFFAOYSA-N 0 0 401.473 1.923 20 0 HDADRN Cc1c(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)nnn1Cc1ccc(F)cc1F ZINC001128962383 1074766918 /nfs/dbraw/zinc/76/69/18/1074766918.db2.gz DCYSJPATMRYKIC-IBGZPJMESA-N 0 0 424.473 1.954 20 0 HDADRN Cc1c(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)nnn1Cc1ccc(F)cc1F ZINC001128962387 1074767229 /nfs/dbraw/zinc/76/72/29/1074767229.db2.gz DCYSJPATMRYKIC-LJQANCHMSA-N 0 0 424.473 1.954 20 0 HDADRN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)cc2)C1 ZINC001128963257 1074767518 /nfs/dbraw/zinc/76/75/18/1074767518.db2.gz LLFNRFUDORFPPF-DYESRHJHSA-N 0 0 419.547 1.429 20 0 HDADRN CC1(C)OCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC001273135906 1074767730 /nfs/dbraw/zinc/76/77/30/1074767730.db2.gz WUEMTZUEGGFWIB-AWEZNQCLSA-N 0 0 401.916 1.819 20 0 HDADRN Cn1ncc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c1I ZINC001128964172 1074767868 /nfs/dbraw/zinc/76/78/68/1074767868.db2.gz RCPCKQLLCPLILS-SKDRFNHKSA-N 0 0 415.235 1.408 20 0 HDADRN O=C(NCCOc1ncccc1Cl)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000473366627 1074767964 /nfs/dbraw/zinc/76/79/64/1074767964.db2.gz OWJXLWVWWWUTSR-UHFFFAOYSA-N 0 0 414.853 1.703 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)nn1-c1ccccc1 ZINC000560848870 1074768629 /nfs/dbraw/zinc/76/86/29/1074768629.db2.gz DGFVZGWHLVXQQZ-MRXNPFEDSA-N 0 0 403.442 2.041 20 0 HDADRN COCCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000675250317 1074768811 /nfs/dbraw/zinc/76/88/11/1074768811.db2.gz BHGMDNKMMHONMO-SFHVURJKSA-N 0 0 406.508 1.631 20 0 HDADRN CCN1CCN(CC(=O)N2CCc3c(F)cc(Br)cc3C2)C(=O)C1=O ZINC000675237227 1074768977 /nfs/dbraw/zinc/76/89/77/1074768977.db2.gz FCJSCUQILIFUEG-UHFFFAOYSA-N 0 0 412.259 1.164 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)nn1C1CCCCC1 ZINC000578702752 1074770121 /nfs/dbraw/zinc/77/01/21/1074770121.db2.gz NVPQXAHUCQSRIE-JKSUJKDBSA-N 0 0 403.527 2.398 20 0 HDADRN C[C@H](O)C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccccc1 ZINC000675245716 1074770486 /nfs/dbraw/zinc/77/04/86/1074770486.db2.gz FMKGWLOSVTWETA-DOTOQJQBSA-N 0 0 422.503 1.585 20 0 HDADRN C[C@H](O)C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccccc1 ZINC000675245721 1074770879 /nfs/dbraw/zinc/77/08/79/1074770879.db2.gz FMKGWLOSVTWETA-RDJZCZTQSA-N 0 0 422.503 1.585 20 0 HDADRN CS(=O)(=O)N1CCN(CC(=O)Nc2cccnc2OCc2ccccc2)CC1 ZINC000675246707 1074770886 /nfs/dbraw/zinc/77/08/86/1074770886.db2.gz QWWRYVKNENXCRQ-UHFFFAOYSA-N 0 0 404.492 1.176 20 0 HDADRN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000468434583 1074770942 /nfs/dbraw/zinc/77/09/42/1074770942.db2.gz IAEDRHHWZLKUGP-UHFFFAOYSA-N 0 0 402.458 2.300 20 0 HDADRN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000675247427 1074771271 /nfs/dbraw/zinc/77/12/71/1074771271.db2.gz NZNLNNFLNJSYBC-UHFFFAOYSA-N 0 0 404.441 1.480 20 0 HDADRN C[C@@H](NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1cccc(-n2cccn2)c1 ZINC000466669847 1074771661 /nfs/dbraw/zinc/77/16/61/1074771661.db2.gz HRETVTYUFRMZCC-OAHLLOKOSA-N 0 0 410.478 1.066 20 0 HDADRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000675249982 1074771840 /nfs/dbraw/zinc/77/18/40/1074771840.db2.gz NZJPUNXZWAKUSQ-FZKQIMNGSA-N 0 0 405.470 1.919 20 0 HDADRN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000142752132 1074771976 /nfs/dbraw/zinc/77/19/76/1074771976.db2.gz SPBADMNDMSIGID-SCLBCKFNSA-N 0 0 404.419 1.319 20 0 HDADRN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)C1 ZINC000554233283 1074771935 /nfs/dbraw/zinc/77/19/35/1074771935.db2.gz AOHMPBLUTNCXHD-AWEZNQCLSA-N 0 0 417.897 2.290 20 0 HDADRN CCOc1cc(Cl)ccc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000675260968 1074772639 /nfs/dbraw/zinc/77/26/39/1074772639.db2.gz NYLXOCDVYAKJGY-LBPRGKRZSA-N 0 0 403.888 1.217 20 0 HDADRN O=C(NCCc1ccccc1Br)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000435207985 1074773075 /nfs/dbraw/zinc/77/30/75/1074773075.db2.gz ORRKMHNMPSZICT-UHFFFAOYSA-N 0 0 419.201 2.505 20 0 HDADRN CCc1cc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)on1 ZINC000675263165 1074773259 /nfs/dbraw/zinc/77/32/59/1074773259.db2.gz WKZOQPIUKGSIOE-UHFFFAOYSA-N 0 0 414.422 1.052 20 0 HDADRN COCCn1ncc2ccc(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)cc21 ZINC000675262395 1074773639 /nfs/dbraw/zinc/77/36/39/1074773639.db2.gz LRFHGUVXRFHAQS-UHFFFAOYSA-N 0 0 409.512 1.570 20 0 HDADRN COc1cc(CCNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)ccc1O ZINC000675263242 1074773766 /nfs/dbraw/zinc/77/37/66/1074773766.db2.gz CPZFRUWVMFCDJY-UHFFFAOYSA-N 0 0 424.450 1.382 20 0 HDADRN CC[C@@H](C[C@@H](C)CO)NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000675263245 1074773787 /nfs/dbraw/zinc/77/37/87/1074773787.db2.gz CZKBCXNHPMOTCM-DOMZBBRYSA-N 0 0 419.482 1.098 20 0 HDADRN CN(C)C(=O)N1CCC(C(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)CC1 ZINC000429325325 1074773801 /nfs/dbraw/zinc/77/38/01/1074773801.db2.gz AACJEWOSIMXHBV-UHFFFAOYSA-N 0 0 401.916 1.753 20 0 HDADRN O=C(NCCc1cn2ccccc2n1)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000484200456 1074773979 /nfs/dbraw/zinc/77/39/79/1074773979.db2.gz SFRCYEMCSCRIJA-UHFFFAOYSA-N 0 0 423.864 1.925 20 0 HDADRN CN(CCOCC1CC1)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000675263898 1074774135 /nfs/dbraw/zinc/77/41/35/1074774135.db2.gz UKISPJYRJSZFIX-UHFFFAOYSA-N 0 0 417.466 1.070 20 0 HDADRN COC(=O)COc1ccc(N(C)C(=O)[C@@H](C)NC(=O)COc2ccccc2)cc1 ZINC000509316914 1074774163 /nfs/dbraw/zinc/77/41/63/1074774163.db2.gz MJTVAOAZKFNUMI-OAHLLOKOSA-N 0 0 400.431 1.785 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)nn1C1CCCCC1 ZINC000581062661 1074774294 /nfs/dbraw/zinc/77/42/94/1074774294.db2.gz KGDWYMZVXJVVRE-KXBFYZLASA-N 0 0 411.506 2.409 20 0 HDADRN Cc1cc(NC(=O)C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)nn1C1CCCCC1 ZINC000584321905 1074774582 /nfs/dbraw/zinc/77/45/82/1074774582.db2.gz RMTZSUDLCCYYRS-GDBMZVCRSA-N 0 0 403.527 2.541 20 0 HDADRN CNC(=O)CCOC1CCN(C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000675264794 1074775163 /nfs/dbraw/zinc/77/51/63/1074775163.db2.gz BJJATXZDJVWGPI-UHFFFAOYSA-N 0 0 415.487 1.519 20 0 HDADRN CCOc1cc(Cl)ccc1NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000675264332 1074775423 /nfs/dbraw/zinc/77/54/23/1074775423.db2.gz BMINUSRUBGNGQE-UHFFFAOYSA-N 0 0 403.888 1.171 20 0 HDADRN CCCc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)n(C)n1 ZINC000509318233 1074775795 /nfs/dbraw/zinc/77/57/95/1074775795.db2.gz HFCUGRPBJQTILB-WDEREUQCSA-N 0 0 421.527 1.505 20 0 HDADRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000675265983 1074775771 /nfs/dbraw/zinc/77/57/71/1074775771.db2.gz BMVZRHWFEWLIPS-CQSZACIVSA-N 0 0 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0 424.482 1.642 20 0 HDADRN CNC(=O)COc1cccc(CNC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC001128793576 1074535334 /nfs/dbraw/zinc/53/53/34/1074535334.db2.gz SOFHOZCTTNJOHP-UHFFFAOYSA-N 0 0 419.428 1.856 20 0 HDADRN Cc1oc(C(=O)NC[C@H](O)COc2c(C)cccc2C)cc1S(=O)(=O)N(C)C ZINC000674709148 1074536543 /nfs/dbraw/zinc/53/65/43/1074536543.db2.gz DEBOZBUJHBIVAE-HNNXBMFYSA-N 0 0 410.492 1.625 20 0 HDADRN Cc1ccc2cccc(S(=O)(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)c2n1 ZINC000674710269 1074537087 /nfs/dbraw/zinc/53/70/87/1074537087.db2.gz GWAVMFJDSPTQPZ-IFXJQAMLSA-N 0 0 402.476 1.542 20 0 HDADRN CN(CC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccccc1 ZINC000674721564 1074539727 /nfs/dbraw/zinc/53/97/27/1074539727.db2.gz DKIGUGNAGPDFOF-UHFFFAOYSA-N 0 0 409.446 1.254 20 0 HDADRN NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCN(c3cccc(Br)c3)CC2)O1 ZINC001128802673 1074541682 /nfs/dbraw/zinc/54/16/82/1074541682.db2.gz MTBQDCCUKLNHIF-CVEARBPZSA-N 0 0 410.312 1.911 20 0 HDADRN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001128803630 1074541877 /nfs/dbraw/zinc/54/18/77/1074541877.db2.gz YIHBXQUGPJCHMV-OAHLLOKOSA-N 0 0 414.466 1.028 20 0 HDADRN CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000142358806 1074544369 /nfs/dbraw/zinc/54/43/69/1074544369.db2.gz OFUZJGGMSRWTMT-UHFFFAOYSA-N 0 0 403.504 1.786 20 0 HDADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC(CS(C)(=O)=O)CC1 ZINC000429238766 1074544484 /nfs/dbraw/zinc/54/44/84/1074544484.db2.gz OKUDVXIZTQJZOU-UHFFFAOYSA-N 0 0 412.552 1.809 20 0 HDADRN CS(=O)(=O)N1CCN(CCNC(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000142356632 1074544544 /nfs/dbraw/zinc/54/45/44/1074544544.db2.gz CFZXOLHHUSZNNR-UHFFFAOYSA-N 0 0 403.504 1.786 20 0 HDADRN C[C@@H](NC(=O)[C@@H](C)N1CCC(CS(C)(=O)=O)CC1)c1ccc2c(c1)OCCO2 ZINC000429240582 1074545824 /nfs/dbraw/zinc/54/58/24/1074545824.db2.gz JQYKCVUJTGILCI-HUUCEWRRSA-N 0 0 410.536 1.780 20 0 HDADRN COc1cccc2c1OC[C@@H](NC(=O)N1CCC([C@@]3(C)NC(=O)NC3=O)CC1)C2 ZINC000674734116 1074546674 /nfs/dbraw/zinc/54/66/74/1074546674.db2.gz 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ZINC000674763580 1074555479 /nfs/dbraw/zinc/55/54/79/1074555479.db2.gz AABGBACDVKIMMQ-UHFFFAOYSA-N 0 0 419.441 1.974 20 0 HDADRN CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 ZINC000674762778 1074557030 /nfs/dbraw/zinc/55/70/30/1074557030.db2.gz XPGNVBSWZVSEAM-UHFFFAOYSA-N 0 0 418.475 1.353 20 0 HDADRN COCCn1ccc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)n1 ZINC000674764366 1074557587 /nfs/dbraw/zinc/55/75/87/1074557587.db2.gz CKNMKRCPGYAPRD-ZDUSSCGKSA-N 0 0 407.421 1.389 20 0 HDADRN CN(Cc1ccccn1)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000674765598 1074558993 /nfs/dbraw/zinc/55/89/93/1074558993.db2.gz OCRQXRIIZOLMMD-UHFFFAOYSA-N 0 0 410.434 1.238 20 0 HDADRN C[C@@H](c1ccncc1)N(C)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O ZINC000674765492 1074559078 /nfs/dbraw/zinc/55/90/78/1074559078.db2.gz IJUKOTKQYURCFG-ZDUSSCGKSA-N 0 0 424.461 1.799 20 0 HDADRN Cc1csc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)n1 ZINC000674765714 1074559915 /nfs/dbraw/zinc/55/99/15/1074559915.db2.gz TVWWUKLJBJQCAC-UHFFFAOYSA-N 0 0 416.463 1.266 20 0 HDADRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)Cn1cccc(C(=O)OC)c1=O ZINC001128815751 1074560482 /nfs/dbraw/zinc/56/04/82/1074560482.db2.gz JIOHQFXZCAJGLG-OAHLLOKOSA-N 0 0 407.467 1.542 20 0 HDADRN CNS(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 ZINC000674768002 1074560958 /nfs/dbraw/zinc/56/09/58/1074560958.db2.gz GZBHZPJPNBTTPT-INIZCTEOSA-N 0 0 421.498 1.348 20 0 HDADRN CN(C)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)ccc1F ZINC001128822841 1074562274 /nfs/dbraw/zinc/56/22/74/1074562274.db2.gz GGYLSPXBVBUDHE-ORAYPTAESA-N 0 0 403.435 1.925 20 0 HDADRN COCCCn1nc(C(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)ccc1=O ZINC001128823226 1074563011 /nfs/dbraw/zinc/56/30/11/1074563011.db2.gz WSVSLAITSMAFML-UHFFFAOYSA-N 0 0 422.869 1.896 20 0 HDADRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(C(=O)c2cccn2C)CC1 ZINC000674781582 1074563042 /nfs/dbraw/zinc/56/30/42/1074563042.db2.gz ZGVBMOKSRQPFBM-HNNXBMFYSA-N 0 0 421.494 1.559 20 0 HDADRN CCCC(=O)NC1CCN(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1 ZINC000674782499 1074563063 /nfs/dbraw/zinc/56/30/63/1074563063.db2.gz LPZMQNMPYGKHSM-UHFFFAOYSA-N 0 0 400.483 1.866 20 0 HDADRN COC(=O)c1nsc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC001128831431 1074564354 /nfs/dbraw/zinc/56/43/54/1074564354.db2.gz MDDYTEUORNBXPM-GFCCVEGCSA-N 0 0 424.504 1.673 20 0 HDADRN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3ncccc3F)C2)C(=O)N1c1cnn(C)c1 ZINC000674789399 1074567206 /nfs/dbraw/zinc/56/72/06/1074567206.db2.gz IZPDACLMJRDHNE-XJKCOSOUSA-N 0 0 401.446 1.026 20 0 HDADRN C[C@@H]1CN(C(=O)C(=O)NCc2csc(CCc3ccccc3)n2)C[C@H](CO)O1 ZINC000674793126 1074569096 /nfs/dbraw/zinc/56/90/96/1074569096.db2.gz UNDIBRMWMJKHQM-RHSMWYFYSA-N 0 0 403.504 1.153 20 0 HDADRN CCOC(=O)[C@@](C)(NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)c1cccnc1 ZINC001128829471 1074569479 /nfs/dbraw/zinc/56/94/79/1074569479.db2.gz OJSBVNJZMVIGOZ-ZMZPIMSZSA-N 0 0 422.532 1.641 20 0 HDADRN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)c1 ZINC000674805962 1074572463 /nfs/dbraw/zinc/57/24/63/1074572463.db2.gz IUMAXYHZOBPMSQ-HDICACEKSA-N 0 0 404.488 1.672 20 0 HDADRN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N2C[C@H](O)C[C@H](O)C2)cc1 ZINC000674807583 1074572893 /nfs/dbraw/zinc/57/28/93/1074572893.db2.gz DFZGGRLKAKUPBW-OKILXGFUSA-N 0 0 422.528 1.314 20 0 HDADRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3C[C@H](O)C[C@H](O)C3)c2)cc1F ZINC000674806016 1074572955 /nfs/dbraw/zinc/57/29/55/1074572955.db2.gz XCKXIPUDSZHPSM-IYBDPMFKSA-N 0 0 408.451 1.503 20 0 HDADRN Cc1cccc(N2C[C@H](C(=O)OCC(=O)N3CCOC[C@H]3C3CC3)CC2=O)c1C ZINC000766072597 1074575103 /nfs/dbraw/zinc/57/51/03/1074575103.db2.gz PBEPIHSQUNFNNZ-MJGOQNOKSA-N 0 0 400.475 1.837 20 0 HDADRN O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCCNC(=O)C1CCCC1 ZINC000766072419 1074575144 /nfs/dbraw/zinc/57/51/44/1074575144.db2.gz MDOVQELGYFEHKO-UHFFFAOYSA-N 0 0 422.425 1.833 20 0 HDADRN COc1cc(OC)c(OC)cc1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000766072343 1074575976 /nfs/dbraw/zinc/57/59/76/1074575976.db2.gz GVKDSOGORBUMFC-HNNXBMFYSA-N 0 0 416.409 1.910 20 0 HDADRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCOC4(CCCC4)C3)C2=O)cc1 ZINC000766073750 1074577030 /nfs/dbraw/zinc/57/70/30/1074577030.db2.gz DRFHKZDPLRISEH-FQEVSTJZSA-N 0 0 401.463 1.634 20 0 HDADRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000766073116 1074577736 /nfs/dbraw/zinc/57/77/36/1074577736.db2.gz OTQQGPDPIHNYAD-KDOFPFPSSA-N 0 0 424.519 1.558 20 0 HDADRN CC(C)Cn1nc(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)c2ccccc2c1=O ZINC000766073884 1074577753 /nfs/dbraw/zinc/57/77/53/1074577753.db2.gz RUKSNHQWUDSXCN-SFHVURJKSA-N 0 0 413.474 1.847 20 0 HDADRN CN(C[C@H](O)C1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000674814346 1074578225 /nfs/dbraw/zinc/57/82/25/1074578225.db2.gz GYFABCHLHPPYOG-FQEVSTJZSA-N 0 0 406.548 1.805 20 0 HDADRN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NCCc2cc(C)cc(C)c2)C1 ZINC000509236989 1074578615 /nfs/dbraw/zinc/57/86/15/1074578615.db2.gz WZXUSNLRGOKNAL-QFIPXVFZSA-N 0 0 404.507 1.780 20 0 HDADRN CCc1ccccc1N1C[C@H](C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)CC1=O ZINC000766073915 1074578663 /nfs/dbraw/zinc/57/86/63/1074578663.db2.gz RXFKLWFWECOTMI-IEBWSBKVSA-N 0 0 400.475 1.783 20 0 HDADRN CCN1CCN(C(=O)C(=O)NCc2csc(CCc3ccccc3)n2)CC1=O ZINC000674809388 1074579753 /nfs/dbraw/zinc/57/97/53/1074579753.db2.gz JEEZSDJUGPVSAG-UHFFFAOYSA-N 0 0 400.504 1.235 20 0 HDADRN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000766074462 1074579826 /nfs/dbraw/zinc/57/98/26/1074579826.db2.gz SXGLVYBBGXFODZ-QGZVFWFLSA-N 0 0 424.519 1.558 20 0 HDADRN CN(C)S(=O)(=O)c1ccc(COC(=O)CCn2nnc3ccccc3c2=O)cc1 ZINC000766076934 1074581327 /nfs/dbraw/zinc/58/13/27/1074581327.db2.gz XAJWZWQRXCDZQE-UHFFFAOYSA-N 0 0 416.459 1.175 20 0 HDADRN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1ncc(I)cn1 ZINC000766075624 1074581712 /nfs/dbraw/zinc/58/17/12/1074581712.db2.gz COTFQKZOEDRYPY-VIFPVBQESA-N 0 0 418.260 1.926 20 0 HDADRN CCCN1C[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1=O ZINC001128836370 1074582151 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