smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000000623796 551503210 /nfs/dbraw/zinc/50/32/10/551503210.db2.gz ZKZVMPRCHITRQU-QCHPHUCNSA-N 0 0 506.536 2.259 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000623799 193857322 /nfs/dbraw/zinc/85/73/22/193857322.db2.gz ZKZVMPRCHITRQU-VZIOXZNFSA-N 0 0 506.536 2.259 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc2-3)C[C@H](C)O1 ZINC000000627324 551504012 /nfs/dbraw/zinc/50/40/12/551504012.db2.gz DHBIPMQGIAFGHM-USTZCAOPSA-N 0 0 534.656 2.494 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000627973 193858137 /nfs/dbraw/zinc/85/81/37/193858137.db2.gz BZZUZSIWCPGWLK-QCHPHUCNSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000627974 551503980 /nfs/dbraw/zinc/50/39/80/551503980.db2.gz BZZUZSIWCPGWLK-VZIOXZNFSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000628845 551504579 /nfs/dbraw/zinc/50/45/79/551504579.db2.gz KGZHCPNMIXBPFU-QCHPHUCNSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000628846 551504537 /nfs/dbraw/zinc/50/45/37/551504537.db2.gz KGZHCPNMIXBPFU-VZIOXZNFSA-N 0 0 508.552 2.351 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000631282 551505052 /nfs/dbraw/zinc/50/50/52/551505052.db2.gz RMKJDJWZVLSFOB-JUTHHCEFSA-N 0 0 506.536 2.452 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000000631283 551505030 /nfs/dbraw/zinc/50/50/30/551505030.db2.gz RMKJDJWZVLSFOB-VVOOWDFBSA-N 0 0 506.536 2.452 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000000631595 551505476 /nfs/dbraw/zinc/50/54/76/551505476.db2.gz UXQQAGRMUKZFBD-VVOOWDFBSA-N 0 0 506.536 2.259 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000631719 1066438883 /nfs/dbraw/zinc/43/88/83/1066438883.db2.gz AIPIFVGMKVEDEF-VNSJDZJPSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000631724 1066438654 /nfs/dbraw/zinc/43/86/54/1066438654.db2.gz AIPIFVGMKVEDEF-HVUZKSCUSA-N 0 0 539.610 2.245 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000634993 551505923 /nfs/dbraw/zinc/50/59/23/551505923.db2.gz QVIZXGXZWLSVSO-QCHPHUCNSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000634996 551505904 /nfs/dbraw/zinc/50/59/04/551505904.db2.gz QVIZXGXZWLSVSO-VZIOXZNFSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635005 551505879 /nfs/dbraw/zinc/50/58/79/551505879.db2.gz WSJAIEZQEMUPBE-DKOMQPSQSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635007 551505876 /nfs/dbraw/zinc/50/58/76/551505876.db2.gz WSJAIEZQEMUPBE-IZBTWGKQSA-N 0 0 538.578 2.359 50 0 KEAARN O=S(=O)(c1ccc(Oc2ccc(Cl)cc2)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1 ZINC000000645214 193862832 /nfs/dbraw/zinc/86/28/32/193862832.db2.gz HMPIUVKWCAJTDB-UHFFFAOYSA-N 0 0 502.998 2.174 50 0 KEAARN COC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000654137 551513443 /nfs/dbraw/zinc/51/34/43/551513443.db2.gz RKRBIZGZCWMCFF-QHCPKHFHSA-N 0 0 543.623 2.176 50 0 KEAARN COc1ccc(CCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000656175 551514076 /nfs/dbraw/zinc/51/40/76/551514076.db2.gz ZNCVSSZMMPZAST-RUZDIDTESA-N 0 0 543.667 2.118 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCCC4)nc(N4CCCCC4)n3)CC2)cc1 ZINC000000661172 551516010 /nfs/dbraw/zinc/51/60/10/551516010.db2.gz JXRBGOJDKPTSPE-UHFFFAOYSA-N 0 0 528.683 2.322 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000680793 1066438709 /nfs/dbraw/zinc/43/87/09/1066438709.db2.gz QOQUGXZAJWKAFH-VNSJDZJPSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000680795 1066438856 /nfs/dbraw/zinc/43/88/56/1066438856.db2.gz QOQUGXZAJWKAFH-HVUZKSCUSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000000680801 551524315 /nfs/dbraw/zinc/52/43/15/551524315.db2.gz XAGCJEMXPIBHOH-WNPPMXKSSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000000680803 551524284 /nfs/dbraw/zinc/52/42/84/551524284.db2.gz XAGCJEMXPIBHOH-HVQRGMKJSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000685313 551525621 /nfs/dbraw/zinc/52/56/21/551525621.db2.gz PQKCSZJAFMCFBW-YVVITCHPSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000685314 551525839 /nfs/dbraw/zinc/52/58/39/551525839.db2.gz PQKCSZJAFMCFBW-GJISQHIDSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000000685324 551525845 /nfs/dbraw/zinc/52/58/45/551525845.db2.gz XBHXKOIZLLIIKT-RTWFUWSXSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000000685326 551525824 /nfs/dbraw/zinc/52/58/24/551525824.db2.gz XBHXKOIZLLIIKT-OFVJEAJMSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000685332 551525828 /nfs/dbraw/zinc/52/58/28/551525828.db2.gz DTBCDNZRUGLABZ-RTWFUWSXSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000685334 551525810 /nfs/dbraw/zinc/52/58/10/551525810.db2.gz DTBCDNZRUGLABZ-OFVJEAJMSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000685336 551525776 /nfs/dbraw/zinc/52/57/76/551525776.db2.gz MLYBGHPZIBZTNA-YVVITCHPSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000685338 551525803 /nfs/dbraw/zinc/52/58/03/551525803.db2.gz MLYBGHPZIBZTNA-GJISQHIDSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000000685360 551525807 /nfs/dbraw/zinc/52/58/07/551525807.db2.gz YAKACQBIFZKQDQ-WNPPMXKSSA-N 0 0 510.591 2.282 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000000685362 551525816 /nfs/dbraw/zinc/52/58/16/551525816.db2.gz YAKACQBIFZKQDQ-HVQRGMKJSA-N 0 0 510.591 2.282 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000685380 551525779 /nfs/dbraw/zinc/52/57/79/551525779.db2.gz LVMHPRIXWLGHEH-VWLOTQADSA-N 0 0 582.679 2.169 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000000685382 551525783 /nfs/dbraw/zinc/52/57/83/551525783.db2.gz LVMHPRIXWLGHEH-RUZDIDTESA-N 0 0 582.679 2.169 50 0 KEAARN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000000716848 551534642 /nfs/dbraw/zinc/53/46/42/551534642.db2.gz QGJZFTSLOOJXJE-QHCPKHFHSA-N 0 0 515.613 2.398 50 0 KEAARN O=C(NCCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000716849 551534609 /nfs/dbraw/zinc/53/46/09/551534609.db2.gz NCSSTGAWLJFYRJ-XMMPIXPASA-N 0 0 513.641 2.109 50 0 KEAARN COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3cccnc3)C2=S)cc1 ZINC000000720777 551537224 /nfs/dbraw/zinc/53/72/24/551537224.db2.gz ZDEWEABPSKLAHM-JOCHJYFZSA-N 0 0 503.584 2.486 50 0 KEAARN COc1ccc(N2C(=O)[C@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3cccnc3)C2=S)cc1 ZINC000000720778 551537164 /nfs/dbraw/zinc/53/71/64/551537164.db2.gz ZDEWEABPSKLAHM-QFIPXVFZSA-N 0 0 503.584 2.486 50 0 KEAARN COc1ccc(CCNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000000828757 551545799 /nfs/dbraw/zinc/54/57/99/551545799.db2.gz PXJQYGHGXLROTG-KRWDZBQOSA-N 0 0 529.981 2.188 50 0 biogenic KEAARN COc1ccc(CCNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000000828758 551545777 /nfs/dbraw/zinc/54/57/77/551545777.db2.gz PXJQYGHGXLROTG-QGZVFWFLSA-N 0 0 529.981 2.188 50 0 biogenic KEAARN Cc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000000835557 551546860 /nfs/dbraw/zinc/54/68/60/551546860.db2.gz OUMMFFJFTFIGQA-DEOSSOPVSA-N 0 0 513.641 2.375 50 0 KEAARN COc1ccc(CCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000000835568 551546842 /nfs/dbraw/zinc/54/68/42/551546842.db2.gz XXCIJSVOEKEVSU-DEOSSOPVSA-N 0 0 573.693 2.127 50 0 KEAARN COc1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 ZINC000000835600 551546847 /nfs/dbraw/zinc/54/68/47/551546847.db2.gz MVPVZBYZWSWGNF-QHCPKHFHSA-N 0 0 515.613 2.398 50 0 KEAARN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000000835602 551546817 /nfs/dbraw/zinc/54/68/17/551546817.db2.gz NVZQJBAWAHTFNK-QHCPKHFHSA-N 0 0 545.639 2.406 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 ZINC000000835603 551546808 /nfs/dbraw/zinc/54/68/08/551546808.db2.gz NPTKFEZSSUPZDL-HSZRJFAPSA-N 0 0 545.639 2.406 50 0 KEAARN COc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000000835604 551546836 /nfs/dbraw/zinc/54/68/36/551546836.db2.gz AOQAVIMJZAOBKT-QFIPXVFZSA-N 0 0 545.639 2.406 50 0 KEAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCC(=O)N1CCOCC1 ZINC000000936829 551587035 /nfs/dbraw/zinc/58/70/35/551587035.db2.gz PUAOBVAYFWPLIY-XMMPIXPASA-N 0 0 504.547 2.452 50 0 KEAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCC(=O)N1CCOCC1 ZINC000000936830 551587070 /nfs/dbraw/zinc/58/70/70/551587070.db2.gz PUAOBVAYFWPLIY-DEOSSOPVSA-N 0 0 504.547 2.452 50 0 KEAARN CC(=O)c1cc(OC(=O)CN2C(=O)c3ccccc3C2=O)ccc1OC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000958668 551589846 /nfs/dbraw/zinc/58/98/46/551589846.db2.gz BKORYMNCEICSDY-UHFFFAOYSA-N 0 0 526.457 2.292 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OCC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(OCC)cc1 ZINC000000989084 551593062 /nfs/dbraw/zinc/59/30/62/551593062.db2.gz MXMSOJOZGOZYRL-DYEBDLIZSA-N 0 0 550.633 2.348 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(OCC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(OCC)cc1 ZINC000000989086 551593235 /nfs/dbraw/zinc/59/32/35/551593235.db2.gz MXMSOJOZGOZYRL-QEQIRTOISA-N 0 0 550.633 2.348 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OCC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(OCC)cc1 ZINC000000989087 551593254 /nfs/dbraw/zinc/59/32/54/551593254.db2.gz MXMSOJOZGOZYRL-CSMMYAOASA-N 0 0 550.633 2.348 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=C(C(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000000989134 551593221 /nfs/dbraw/zinc/59/32/21/551593221.db2.gz BGXVQPAACRZHSG-NIFLVVHWSA-N 0 0 516.406 2.169 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000000989136 551593244 /nfs/dbraw/zinc/59/32/44/551593244.db2.gz BGXVQPAACRZHSG-ZFOVBUMHSA-N 0 0 516.406 2.169 50 0 KEAARN O=C(C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000001003610 551595968 /nfs/dbraw/zinc/59/59/68/551595968.db2.gz BBXAJBDNBDEGRS-HOTGVXAUSA-N 0 0 502.545 2.247 50 0 KEAARN CC(=O)N(c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cn1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000001033778 551598568 /nfs/dbraw/zinc/59/85/68/551598568.db2.gz QYRSSFZTAFSHPR-UHFFFAOYSA-N 0 0 515.569 2.494 50 0 KEAARN COc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)cc(OC)c1OC ZINC000001071617 551602904 /nfs/dbraw/zinc/60/29/04/551602904.db2.gz WBGIBRSWCABKGM-UHFFFAOYSA-N 0 0 543.577 2.378 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)cc1OC ZINC000001075140 551604006 /nfs/dbraw/zinc/60/40/06/551604006.db2.gz JLWPPLHQSQOBSJ-UHFFFAOYSA-N 0 0 537.642 2.259 50 0 KEAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000001075853 551604104 /nfs/dbraw/zinc/60/41/04/551604104.db2.gz QOGLZJSBXNUFJD-UHFFFAOYSA-N 0 0 509.606 2.385 50 0 KEAARN CCOc1ccc(Cn2c(SCC(=O)NC(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC ZINC000001076743 551604381 /nfs/dbraw/zinc/60/43/81/551604381.db2.gz UFSLPELGJMAFBF-UHFFFAOYSA-N 0 0 503.625 2.286 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)cc1OC ZINC000001078468 551605209 /nfs/dbraw/zinc/60/52/09/551605209.db2.gz FWSVZRJCNNFMSR-UHFFFAOYSA-N 0 0 541.605 2.089 50 0 biogenic,in-vitro KEAARN Cn1c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000001078501 551605238 /nfs/dbraw/zinc/60/52/38/551605238.db2.gz BPJCEQQQFCBNDH-UHFFFAOYSA-N 0 0 511.535 2.123 50 0 KEAARN Cn1c2ncn(CC(=O)Nc3ccccc3NC(=O)c3ccc(C(F)(F)F)cc3)c2c(=O)n(C)c1=O ZINC000001079987 551605533 /nfs/dbraw/zinc/60/55/33/551605533.db2.gz WVASZENFDIDIND-UHFFFAOYSA-N 0 0 500.437 2.344 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000001098562 551608233 /nfs/dbraw/zinc/60/82/33/551608233.db2.gz VZNJYPJBSSYETB-VMOHIOPYSA-N 0 0 539.013 2.261 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000001098564 551608193 /nfs/dbraw/zinc/60/81/93/551608193.db2.gz VZNJYPJBSSYETB-IYMWYRQMSA-N 0 0 539.013 2.261 50 0 KEAARN COC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)CC2)ccc1Cl ZINC000001102362 551608956 /nfs/dbraw/zinc/60/89/56/551608956.db2.gz VOZNLXGPYQBMEI-UHFFFAOYSA-N 0 0 551.426 2.262 50 0 KEAARN Cn1c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)cc2n(C)c1=O ZINC000001102766 551609129 /nfs/dbraw/zinc/60/91/29/551609129.db2.gz OXTABWYEJOHXPJ-KGENOOAVSA-N 0 0 507.572 2.389 50 0 KEAARN CN(c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1)S(C)(=O)=O ZINC000001141598 551617373 /nfs/dbraw/zinc/61/73/73/551617373.db2.gz RUKPEQZJNUYSSD-UHFFFAOYSA-N 0 0 537.401 2.092 50 0 KEAARN CCOC(=O)COc1c(I)cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000001148732 551619033 /nfs/dbraw/zinc/61/90/33/551619033.db2.gz VJZXARRBRRACDU-INIZCTEOSA-N 0 0 518.304 2.433 50 0 KEAARN CCOC(=O)COc1c(I)cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000001148733 551619094 /nfs/dbraw/zinc/61/90/94/551619094.db2.gz VJZXARRBRRACDU-MRXNPFEDSA-N 0 0 518.304 2.433 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000001156663 551619916 /nfs/dbraw/zinc/61/99/16/551619916.db2.gz NMLVLFAGPRQIQO-UHFFFAOYSA-N 0 0 502.412 2.136 50 0 KEAARN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1OC ZINC000001172593 551620478 /nfs/dbraw/zinc/62/04/78/551620478.db2.gz FIOGDNIDJZIFEW-UHFFFAOYSA-N 0 0 511.622 2.283 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000001187633 551621473 /nfs/dbraw/zinc/62/14/73/551621473.db2.gz UMTTZIGMGHGZIC-IYMWYRQMSA-N 0 0 506.536 2.314 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000001187637 551621492 /nfs/dbraw/zinc/62/14/92/551621492.db2.gz UMTTZIGMGHGZIC-VMOHIOPYSA-N 0 0 506.536 2.314 50 0 KEAARN COc1ccc(OCCn2c(=O)c3cc4c(cc3c2=O)c(=O)n(CCOc2ccc(OC)cc2)c4=O)cc1 ZINC000001197133 551622671 /nfs/dbraw/zinc/62/26/71/551622671.db2.gz LOPZAYRFCAJQDW-UHFFFAOYSA-N 0 0 516.506 2.088 50 0 KEAARN CC(=O)Oc1ccc(C)cc1-n1c(=O)c2cc3c(cc2c1=O)c(=O)n(-c1cc(C)ccc1OC(C)=O)c3=O ZINC000001210777 551625349 /nfs/dbraw/zinc/62/53/49/551625349.db2.gz VOUNYHTWTASINF-UHFFFAOYSA-N 0 0 512.474 2.358 50 0 KEAARN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CC(=O)c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000001238413 551630343 /nfs/dbraw/zinc/63/03/43/551630343.db2.gz QFYSSJWVMFWLGD-UHFFFAOYSA-N 0 0 537.418 2.406 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000001245668 551631525 /nfs/dbraw/zinc/63/15/25/551631525.db2.gz WHMLGJCAGLJBGY-VVOOWDFBSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000001245670 551631536 /nfs/dbraw/zinc/63/15/36/551631536.db2.gz WHMLGJCAGLJBGY-JUTHHCEFSA-N 0 0 508.552 2.351 50 0 KEAARN CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(I)o4)c(=O)n3C2)cc1 ZINC000001246919 551631662 /nfs/dbraw/zinc/63/16/62/551631662.db2.gz ADLXGZJQQDUNHX-DHDCSXOGSA-N 0 0 509.325 2.168 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001248828 551631989 /nfs/dbraw/zinc/63/19/89/551631989.db2.gz GZSYKIZUYDKHPN-QCHPHUCNSA-N 0 0 506.536 2.259 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001248830 551631928 /nfs/dbraw/zinc/63/19/28/551631928.db2.gz GZSYKIZUYDKHPN-VZIOXZNFSA-N 0 0 506.536 2.259 50 0 KEAARN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCSc3nc4ccccc4[nH]3)c2c(=O)[nH]c1=O ZINC000001270016 551634589 /nfs/dbraw/zinc/63/45/89/551634589.db2.gz QZQDUIRWBPNYQP-UHFFFAOYSA-N 0 0 502.604 2.419 50 0 KEAARN C[C@H](CSc1nnnn1-c1ccccc1)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000001283343 551636758 /nfs/dbraw/zinc/63/67/58/551636758.db2.gz JLVNJYFXOCIDLX-KRWDZBQOSA-N 0 0 517.619 2.464 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001299013 551637891 /nfs/dbraw/zinc/63/78/91/551637891.db2.gz ONOGAWZGBVJMPQ-VLOXRPPESA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001299015 551637829 /nfs/dbraw/zinc/63/78/29/551637829.db2.gz ONOGAWZGBVJMPQ-WLJFKGHSSA-N 0 0 508.552 2.351 50 0 KEAARN CCOC(=O)CC1=C(C(=O)OCC)[C@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OCC)=C(N)O1 ZINC000001303330 551638520 /nfs/dbraw/zinc/63/85/20/551638520.db2.gz WPPDSEZBKJAINY-JOCHJYFZSA-N 0 0 523.336 2.173 50 0 KEAARN CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(c3cc(Br)ccc3NC2=O)C(C(=O)OCC)=C(N)O1 ZINC000001303331 551638517 /nfs/dbraw/zinc/63/85/17/551638517.db2.gz WPPDSEZBKJAINY-QFIPXVFZSA-N 0 0 523.336 2.173 50 0 KEAARN COC(=O)c1cc(Br)c(=O)n(C[C@H](C)n2cc(C(=O)OC)cc(Br)c2=O)c1 ZINC000001321178 551641826 /nfs/dbraw/zinc/64/18/26/551641826.db2.gz ZYXGVDWYURQGCC-VIFPVBQESA-N 0 0 504.131 2.369 50 0 biogenic KEAARN COC(=O)c1cc(Br)c(=O)n(C[C@@H](C)n2cc(C(=O)OC)cc(Br)c2=O)c1 ZINC000001321179 551641823 /nfs/dbraw/zinc/64/18/23/551641823.db2.gz ZYXGVDWYURQGCC-SECBINFHSA-N 0 0 504.131 2.369 50 0 biogenic KEAARN CCn1cc(C(=O)N2CC[C@H]3C[C@@H]2Cn2c(=O)cccc23)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000001323044 551642038 /nfs/dbraw/zinc/64/20/38/551642038.db2.gz FRAAUNSBDSLMFP-RBUKOAKNSA-N 0 0 505.594 2.476 50 0 biogenic KEAARN Cn1c2nc(NCCc3c[nH]c4ccccc34)n(CC(=O)NCCc3c[nH]c4ccccc34)c2c(=O)n(C)c1=O ZINC000001414882 551666577 /nfs/dbraw/zinc/66/65/77/551666577.db2.gz UVVMTBRILWZWHY-UHFFFAOYSA-N 0 0 538.612 2.410 50 0 KEAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000001423935 551669009 /nfs/dbraw/zinc/66/90/09/551669009.db2.gz FCQULOPDJHWNST-UHFFFAOYSA-N 0 0 507.572 2.308 50 0 KEAARN Cc1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)c(=O)n(-c2ccccc2)n1C ZINC000001424518 551669277 /nfs/dbraw/zinc/66/92/77/551669277.db2.gz MIGKSQGASJHJDY-UHFFFAOYSA-N 0 0 563.615 2.150 50 0 KEAARN COC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F ZINC000001425531 551669329 /nfs/dbraw/zinc/66/93/29/551669329.db2.gz MXARYIVAOZEGET-UHFFFAOYSA-N 0 0 511.535 2.139 50 0 KEAARN COc1cccc(OCCn2c(=O)c3cc4c(cc3c2=O)c(=O)n(CCOc2cccc(OC)c2)c4=O)c1 ZINC000001430947 551669997 /nfs/dbraw/zinc/66/99/97/551669997.db2.gz KZOLLAACMDISDU-UHFFFAOYSA-N 0 0 516.506 2.088 50 0 KEAARN CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4c(Cl)cnn(-c5ccccc5)c4=O)CC3)ccc21 ZINC000001431657 551670450 /nfs/dbraw/zinc/67/04/50/551670450.db2.gz ZGPSHTUHGZSBRP-UHFFFAOYSA-N 0 0 514.007 2.170 50 0 KEAARN COc1cc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)ccc1O ZINC000001437132 551671401 /nfs/dbraw/zinc/67/14/01/551671401.db2.gz QEUQPXVRXITPMN-ILVSZCEFSA-N 0 0 527.606 2.333 50 0 KEAARN CCC(=O)OCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CCOC(=O)CC)C4=O)cc2C1=O ZINC000001458709 551677286 /nfs/dbraw/zinc/67/72/86/551677286.db2.gz BWEFSSNBALELOI-UHFFFAOYSA-N 0 0 520.494 2.016 50 0 KEAARN COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000001788609 551701107 /nfs/dbraw/zinc/70/11/07/551701107.db2.gz GNFZEPVGTQAPIK-VOGGAGISSA-N 0 0 590.679 2.436 50 0 KEAARN COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000001788610 551701113 /nfs/dbraw/zinc/70/11/13/551701113.db2.gz GNFZEPVGTQAPIK-HDMRQQGGSA-N 0 0 590.679 2.436 50 0 KEAARN COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000001788612 551701083 /nfs/dbraw/zinc/70/10/83/551701083.db2.gz GNFZEPVGTQAPIK-DFOZZHOTSA-N 0 0 590.679 2.436 50 0 KEAARN COC(=O)C1=c2sc(=Cc3cccc(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000001788613 551701112 /nfs/dbraw/zinc/70/11/12/551701112.db2.gz GNFZEPVGTQAPIK-ZBDCHNAPSA-N 0 0 590.679 2.436 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000001790705 551701470 /nfs/dbraw/zinc/70/14/70/551701470.db2.gz YDYVTRAWPGNHBH-QQYUXEJHSA-N 0 0 561.616 2.469 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000001790709 551701457 /nfs/dbraw/zinc/70/14/57/551701457.db2.gz YDYVTRAWPGNHBH-MYXKAAJQSA-N 0 0 561.616 2.469 50 0 KEAARN COc1ccc(S(=O)(=O)N(n2c(C)nnc2-n2nc(C)cc2C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000001803412 551704145 /nfs/dbraw/zinc/70/41/45/551704145.db2.gz FFSOHESYQNIQAT-UHFFFAOYSA-N 0 0 532.604 2.122 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000001805266 551704622 /nfs/dbraw/zinc/70/46/22/551704622.db2.gz SFVNQCRNDNDNDS-RKKARLDVSA-N 0 0 519.579 2.162 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000001805270 551704603 /nfs/dbraw/zinc/70/46/03/551704603.db2.gz SFVNQCRNDNDNDS-VFJWVMJUSA-N 0 0 519.579 2.162 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(N)=O)[C@H]1c1c(F)cccc1Cl ZINC000001817123 551707877 /nfs/dbraw/zinc/70/78/77/551707877.db2.gz GEQWZFSFSIXCQB-KAKTVLCNSA-N 0 0 552.386 2.447 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(N)=O)[C@@H]1c1c(F)cccc1Cl ZINC000001817125 551707865 /nfs/dbraw/zinc/70/78/65/551707865.db2.gz GEQWZFSFSIXCQB-BAPRJRNISA-N 0 0 552.386 2.447 50 0 KEAARN O=C(CN1c2ccccc2/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)C1=O)Nc1ccccc1 ZINC000001819980 1066352769 /nfs/dbraw/zinc/35/27/69/1066352769.db2.gz GVMLZOXOXMBDNT-FZFLATATSA-N 0 0 513.622 2.430 50 0 KEAARN COc1ccc(NC(=O)CN2c3ccccc3/C(=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)C2=O)cc1 ZINC000001820587 1066352663 /nfs/dbraw/zinc/35/26/63/1066352663.db2.gz BHGGNGNGWWGHHE-WGLILOHCSA-N 0 0 543.648 2.439 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000001822348 551708957 /nfs/dbraw/zinc/70/89/57/551708957.db2.gz DQKSRVVLQSCGGB-FQEQIMQSSA-N 0 0 530.627 2.418 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000001822350 551708900 /nfs/dbraw/zinc/70/89/00/551708900.db2.gz DQKSRVVLQSCGGB-LFPSXHGSSA-N 0 0 530.627 2.418 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OC(C)C)[C@H]1c1cccc(OC)c1 ZINC000001822889 551709078 /nfs/dbraw/zinc/70/90/78/551709078.db2.gz YDSZDSBVFMOZDF-BHJKQYKASA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OC(C)C)[C@@H]1c1cccc(OC)c1 ZINC000001822891 551709104 /nfs/dbraw/zinc/70/91/04/551709104.db2.gz YDSZDSBVFMOZDF-ZPWPBLDLSA-N 0 0 550.633 2.346 50 0 KEAARN Cc1oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001825866 551709982 /nfs/dbraw/zinc/70/99/82/551709982.db2.gz VGIVADNEFGXCRV-FQEVSTJZSA-N 0 0 537.569 2.051 50 0 biogenic KEAARN O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000001838138 551712893 /nfs/dbraw/zinc/71/28/93/551712893.db2.gz OJHMUKUKIYFSDT-UHFFFAOYSA-N 0 0 512.154 2.484 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000001838919 551713341 /nfs/dbraw/zinc/71/33/41/551713341.db2.gz KWNSCVMYLYVJOF-YVJFHRMNSA-N 0 0 590.679 2.436 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000001838920 551713330 /nfs/dbraw/zinc/71/33/30/551713330.db2.gz KWNSCVMYLYVJOF-YLXJWSIRSA-N 0 0 590.679 2.436 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000001838921 551713322 /nfs/dbraw/zinc/71/33/22/551713322.db2.gz KWNSCVMYLYVJOF-ICBIFTLVSA-N 0 0 590.679 2.436 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000001838922 551713324 /nfs/dbraw/zinc/71/33/24/551713324.db2.gz KWNSCVMYLYVJOF-PSJJOBAMSA-N 0 0 590.679 2.436 50 0 KEAARN COc1cc(CN2C(=O)N[C@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)cc(OC)c1 ZINC000001839326 551713564 /nfs/dbraw/zinc/71/35/64/551713564.db2.gz OGQPQKLZMDEXOJ-QFIPXVFZSA-N 0 0 527.452 2.470 50 0 KEAARN COc1cc(CN2C(=O)N[C@@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)cc(OC)c1 ZINC000001839327 551713527 /nfs/dbraw/zinc/71/35/27/551713527.db2.gz OGQPQKLZMDEXOJ-JOCHJYFZSA-N 0 0 527.452 2.470 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccccc2F)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001853299 551715749 /nfs/dbraw/zinc/71/57/49/551715749.db2.gz QBDQJYKYRAURGP-QHCPKHFHSA-N 0 0 536.438 2.075 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccccc2F)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001853301 551715733 /nfs/dbraw/zinc/71/57/33/551715733.db2.gz QBDQJYKYRAURGP-HSZRJFAPSA-N 0 0 536.438 2.075 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001860161 551716913 /nfs/dbraw/zinc/71/69/13/551716913.db2.gz BFVULHUEMWTOGA-QFIPXVFZSA-N 0 0 588.948 2.138 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000001860164 551716861 /nfs/dbraw/zinc/71/68/61/551716861.db2.gz BFVULHUEMWTOGA-JOCHJYFZSA-N 0 0 588.948 2.138 50 0 KEAARN COc1cc(CN2C(=O)N[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)cc(OC)c1 ZINC000001864824 551717773 /nfs/dbraw/zinc/71/77/73/551717773.db2.gz DKTCDCXTEQLCLH-QFIPXVFZSA-N 0 0 527.452 2.470 50 0 KEAARN COc1cc(CN2C(=O)N[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)cc(OC)c1 ZINC000001864826 551717739 /nfs/dbraw/zinc/71/77/39/551717739.db2.gz DKTCDCXTEQLCLH-JOCHJYFZSA-N 0 0 527.452 2.470 50 0 KEAARN COc1cccc(CN2C(=O)N[C@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)c1OC ZINC000001868586 551718570 /nfs/dbraw/zinc/71/85/70/551718570.db2.gz XKEWBOZUWGKEAA-QFIPXVFZSA-N 0 0 527.452 2.470 50 0 KEAARN COc1cccc(CN2C(=O)N[C@@](NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)C2=O)c1OC ZINC000001868588 551718770 /nfs/dbraw/zinc/71/87/70/551718770.db2.gz XKEWBOZUWGKEAA-JOCHJYFZSA-N 0 0 527.452 2.470 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(OCC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(OCC)cc1 ZINC000001872544 551720136 /nfs/dbraw/zinc/72/01/36/551720136.db2.gz MXMSOJOZGOZYRL-CIPTZOQDSA-N 0 0 550.633 2.348 50 0 KEAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(OC)cc1 ZINC000001886314 551725628 /nfs/dbraw/zinc/72/56/28/551725628.db2.gz HPKQRWXTRWYHCJ-DYEBDLIZSA-N 0 0 550.633 2.348 50 0 KEAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(OC)cc1 ZINC000001886320 551725612 /nfs/dbraw/zinc/72/56/12/551725612.db2.gz HPKQRWXTRWYHCJ-CSMMYAOASA-N 0 0 550.633 2.348 50 0 KEAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OC)[C@H]1c1cccc(OC)c1 ZINC000001890444 551726538 /nfs/dbraw/zinc/72/65/38/551726538.db2.gz PFIYRZGCPDJZHP-GYZZIOIESA-N 0 0 550.633 2.348 50 0 KEAARN CCCCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cccc(OC)c3)sc2=C(C(=O)OC)[C@@H]1c1cccc(OC)c1 ZINC000001890448 551726532 /nfs/dbraw/zinc/72/65/32/551726532.db2.gz PFIYRZGCPDJZHP-PHCAOYFPSA-N 0 0 550.633 2.348 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1 ZINC000001902479 551731505 /nfs/dbraw/zinc/73/15/05/551731505.db2.gz QSHOVOSIKPNDHC-GYZZIOIESA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1 ZINC000001902483 551731510 /nfs/dbraw/zinc/73/15/10/551731510.db2.gz QSHOVOSIKPNDHC-PHCAOYFPSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3F)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1F ZINC000002056375 551740059 /nfs/dbraw/zinc/74/00/59/551740059.db2.gz DQZNEQWVJYJMBH-CWDSQJGSSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=c2s/c(=C\c3ccccc3F)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1F ZINC000002056377 551740138 /nfs/dbraw/zinc/74/01/38/551740138.db2.gz DQZNEQWVJYJMBH-LJLZWOEMSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002058572 551740716 /nfs/dbraw/zinc/74/07/16/551740716.db2.gz XTLDZEMCTOFNAI-UGUGFTGJSA-N 0 0 531.590 2.460 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002058574 551740699 /nfs/dbraw/zinc/74/06/99/551740699.db2.gz XTLDZEMCTOFNAI-FEYWKWKCSA-N 0 0 531.590 2.460 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002058835 551740863 /nfs/dbraw/zinc/74/08/63/551740863.db2.gz ADNUJAJXWQWULX-DKOMQPSQSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002058837 551740893 /nfs/dbraw/zinc/74/08/93/551740893.db2.gz ADNUJAJXWQWULX-IZBTWGKQSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000002058919 551741067 /nfs/dbraw/zinc/74/10/67/551741067.db2.gz YXIDTTIJXSKUSB-BYHQVZLYSA-N 0 0 512.565 2.320 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000002058921 551741045 /nfs/dbraw/zinc/74/10/45/551741045.db2.gz YXIDTTIJXSKUSB-LYFUXTGPSA-N 0 0 512.565 2.320 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059881 551741662 /nfs/dbraw/zinc/74/16/62/551741662.db2.gz UGIKAUDHAOJHNE-RKKARLDVSA-N 0 0 517.563 2.070 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059883 551741687 /nfs/dbraw/zinc/74/16/87/551741687.db2.gz UGIKAUDHAOJHNE-VFJWVMJUSA-N 0 0 517.563 2.070 50 0 KEAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059885 551741666 /nfs/dbraw/zinc/74/16/66/551741666.db2.gz CIDWNQHXLKUQMM-UGUGFTGJSA-N 0 0 531.590 2.460 50 0 KEAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059887 551741688 /nfs/dbraw/zinc/74/16/88/551741688.db2.gz CIDWNQHXLKUQMM-FEYWKWKCSA-N 0 0 531.590 2.460 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002059889 551741664 /nfs/dbraw/zinc/74/16/64/551741664.db2.gz IGHNYUZIXCUKFB-FEYWKWKCSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002059891 551741670 /nfs/dbraw/zinc/74/16/70/551741670.db2.gz IGHNYUZIXCUKFB-UGUGFTGJSA-N 0 0 547.589 2.079 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000002059893 551741689 /nfs/dbraw/zinc/74/16/89/551741689.db2.gz TXHYHMHTPVHKQF-GOBJLOIFSA-N 0 0 507.955 2.325 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002059895 551741691 /nfs/dbraw/zinc/74/16/91/551741691.db2.gz TXHYHMHTPVHKQF-LCPUNJGISA-N 0 0 507.955 2.325 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002063855 551744540 /nfs/dbraw/zinc/74/45/40/551744540.db2.gz DVPMPIDHKACKGP-FEYWKWKCSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002063857 551744571 /nfs/dbraw/zinc/74/45/71/551744571.db2.gz DVPMPIDHKACKGP-UGUGFTGJSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002063867 551744818 /nfs/dbraw/zinc/74/48/18/551744818.db2.gz FVHQYDTXFYXEAA-VFJWVMJUSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002063869 551744823 /nfs/dbraw/zinc/74/48/23/551744823.db2.gz FVHQYDTXFYXEAA-RKKARLDVSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=CC2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000002066087 551745230 /nfs/dbraw/zinc/74/52/30/551745230.db2.gz CCYKAFXFMLGKTR-NUDPWQOESA-N 0 0 530.533 2.364 50 0 KEAARN CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2C=CC3[C@H]3C(=O)N(c4cccc(OC(C)=O)c4)C(=O)[C@H]32)c1 ZINC000002069264 551746630 /nfs/dbraw/zinc/74/66/30/551746630.db2.gz VEKHGKTVBZNYIP-DLMXUGLJSA-N 0 0 514.490 2.264 50 0 KEAARN CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc21 ZINC000002071241 551747122 /nfs/dbraw/zinc/74/71/22/551747122.db2.gz QGBWDGWFKQAHDP-LPHOPBHVSA-N 0 0 512.588 2.450 50 0 KEAARN CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc2ccccc21 ZINC000002071242 551747105 /nfs/dbraw/zinc/74/71/05/551747105.db2.gz QGBWDGWFKQAHDP-QFBILLFUSA-N 0 0 512.588 2.450 50 0 KEAARN CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc21 ZINC000002071243 551747097 /nfs/dbraw/zinc/74/70/97/551747097.db2.gz QGBWDGWFKQAHDP-APWZRJJASA-N 0 0 512.588 2.450 50 0 KEAARN CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc2ccccc21 ZINC000002071244 551747107 /nfs/dbraw/zinc/74/71/07/551747107.db2.gz QGBWDGWFKQAHDP-VQIMIIECSA-N 0 0 512.588 2.450 50 0 KEAARN COc1cc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1O ZINC000002095693 551761431 /nfs/dbraw/zinc/76/14/31/551761431.db2.gz JSEBBAKNTGQLMM-PHKGMDLESA-N 0 0 542.592 2.494 50 0 biogenic KEAARN COc1cc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1O ZINC000002095695 551761475 /nfs/dbraw/zinc/76/14/75/551761475.db2.gz JSEBBAKNTGQLMM-QPPRZBLKSA-N 0 0 542.592 2.494 50 0 biogenic KEAARN Cc1c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000002111238 551767263 /nfs/dbraw/zinc/76/72/63/551767263.db2.gz CHBDVMRGZGGYEG-JIYROHSKSA-N 0 0 575.662 2.457 50 0 biogenic KEAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000002115761 551769368 /nfs/dbraw/zinc/76/93/68/551769368.db2.gz XAKSFGPHKQCSPF-DOJXGVHPSA-N 0 0 541.645 2.207 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(=O)[O-])[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3Cl)cc1OC ZINC000002130602 551772686 /nfs/dbraw/zinc/77/26/86/551772686.db2.gz PXJBKSHAMFYIAA-OZLNXOMTSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3c2cc(C)cc3Cl)cc1OC ZINC000002130603 551772667 /nfs/dbraw/zinc/77/26/67/551772667.db2.gz PXJBKSHAMFYIAA-RLLIMONSSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3Cl)cc1OC ZINC000002130605 551772631 /nfs/dbraw/zinc/77/26/31/551772631.db2.gz PXJBKSHAMFYIAA-DVVWYOFYSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3c2cc(C)cc3Cl)cc1OC ZINC000002130606 551772635 /nfs/dbraw/zinc/77/26/35/551772635.db2.gz PXJBKSHAMFYIAA-WTLLVQHOSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(=O)[O-])[NH2+][C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1OC ZINC000002131475 551772853 /nfs/dbraw/zinc/77/28/53/551772853.db2.gz FLMSSJXAFALJRO-OZLNXOMTSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1OC ZINC000002131477 551772832 /nfs/dbraw/zinc/77/28/32/551772832.db2.gz FLMSSJXAFALJRO-RLLIMONSSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1OC ZINC000002131479 551772877 /nfs/dbraw/zinc/77/28/77/551772877.db2.gz FLMSSJXAFALJRO-DVVWYOFYSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCC(=O)[O-])[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1OC ZINC000002131481 551772892 /nfs/dbraw/zinc/77/28/92/551772892.db2.gz FLMSSJXAFALJRO-WTLLVQHOSA-N 0 0 541.988 2.494 50 0 biogenic KEAARN COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC ZINC000002148334 551776907 /nfs/dbraw/zinc/77/69/07/551776907.db2.gz SXTXXGZKRSRLSZ-AABGKKOBSA-N 0 0 514.648 2.432 50 0 biogenic KEAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002152606 551779149 /nfs/dbraw/zinc/77/91/49/551779149.db2.gz WYVWTHZRFCANJT-VXSCBNMQSA-N 0 0 508.619 2.435 50 0 biogenic KEAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000002163530 551781365 /nfs/dbraw/zinc/78/13/65/551781365.db2.gz AVEPJDIHEZHYJH-FEYWKWKCSA-N 0 0 532.622 2.443 50 0 KEAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000002163535 551781377 /nfs/dbraw/zinc/78/13/77/551781377.db2.gz AVEPJDIHEZHYJH-UGUGFTGJSA-N 0 0 532.622 2.443 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000002177038 551783435 /nfs/dbraw/zinc/78/34/35/551783435.db2.gz YJRVQDXLVIHSPY-GLSAMTQTSA-N 0 0 581.647 2.078 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000002177040 551783487 /nfs/dbraw/zinc/78/34/87/551783487.db2.gz YJRVQDXLVIHSPY-WDONWYDGSA-N 0 0 581.647 2.078 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000002196580 551792108 /nfs/dbraw/zinc/79/21/08/551792108.db2.gz UZARNLRTVKGZNJ-LCPUNJGISA-N 0 0 509.609 2.223 50 0 KEAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@]12c1ccccc1N(CC(=O)OCc1ccccc1)C2=O ZINC000002213752 551794620 /nfs/dbraw/zinc/79/46/20/551794620.db2.gz SVPAPNDATQNETG-HHHXNRCGSA-N 0 0 506.511 2.225 50 0 KEAARN CCOC(=O)C1=c2s/c(=C\c3ccc(F)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(F)cc1 ZINC000002217822 551795409 /nfs/dbraw/zinc/79/54/09/551795409.db2.gz PPLOIIXRCYDQIO-CWDSQJGSSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=c2s/c(=C\c3ccc(F)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(F)cc1 ZINC000002217824 551795340 /nfs/dbraw/zinc/79/53/40/551795340.db2.gz PPLOIIXRCYDQIO-LJLZWOEMSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@@]12c1ccccc1N(CC(=O)OCc1ccccc1)C2=O ZINC000002230688 551797554 /nfs/dbraw/zinc/79/75/54/551797554.db2.gz GYXVAKHTXGBYPL-HHHXNRCGSA-N 0 0 506.511 2.225 50 0 KEAARN CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@]12c1cc(Br)ccc1NC2=O ZINC000002233544 552082473 /nfs/dbraw/zinc/08/24/73/552082473.db2.gz OVRTXQRVCGRWKL-JOCHJYFZSA-N 0 0 523.336 2.173 50 0 KEAARN CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 ZINC000002239693 551798993 /nfs/dbraw/zinc/79/89/93/551798993.db2.gz AUAFCWIOKBPIDD-ZFWWWQNUSA-N 0 0 541.424 2.060 50 0 KEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000002244376 551799370 /nfs/dbraw/zinc/79/93/70/551799370.db2.gz MSIPWYIZZGMAKK-AGGMBTAESA-N 0 0 523.998 2.425 50 0 KEAARN CCOC(=O)c1cnn(-c2nc3sc4c(c3c(-n3ncc(C(=O)OCC)c3N)n2)CC(C)(C)OC4)c1N ZINC000002247239 551800286 /nfs/dbraw/zinc/80/02/86/551800286.db2.gz FVUDDYNUMMMUAA-UHFFFAOYSA-N 0 0 526.579 2.432 50 0 KEAARN Cc1cc2c(c(C)c1)NC(=O)/C2=c1\sc2n(c1=O)CN(c1ccc(I)cc1)CN=2 ZINC000002260115 552083705 /nfs/dbraw/zinc/08/37/05/552083705.db2.gz GLTIKZQCTAIGNJ-VLGSPTGOSA-N 0 0 516.364 2.337 50 0 KEAARN Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(I)cc1)CN=3)C(=O)N2 ZINC000002261169 552084333 /nfs/dbraw/zinc/08/43/33/552084333.db2.gz DPCNDYKXVSLXRC-MSUUIHNZSA-N 0 0 502.337 2.029 50 0 KEAARN COC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000002262100 552085045 /nfs/dbraw/zinc/08/50/45/552085045.db2.gz MKMRCLPGQIRTNZ-ZFOVBUMHSA-N 0 0 517.390 2.467 50 0 KEAARN COC(=O)C1=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2C(N)=C(C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000002262102 552085031 /nfs/dbraw/zinc/08/50/31/552085031.db2.gz MKMRCLPGQIRTNZ-NIFLVVHWSA-N 0 0 517.390 2.467 50 0 KEAARN COc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(I)cc2)CN=3)cc1OC ZINC000002262710 552084953 /nfs/dbraw/zinc/08/49/53/552084953.db2.gz QQVNECWHZZEWIV-ZDLGFXPLSA-N 0 0 507.353 2.415 50 0 KEAARN CC(C)(C)[C@H]1CCc2c(sc3c2-c2nnc(SCC(N)=O)n2-c2nnc(SCC(N)=O)n2-3)C1 ZINC000002263083 551803972 /nfs/dbraw/zinc/80/39/72/551803972.db2.gz FGULXNGNWAKRPI-VIFPVBQESA-N 0 0 504.667 2.196 50 0 KEAARN CC(C)(C)[C@@H]1CCc2c(sc3c2-c2nnc(SCC(N)=O)n2-c2nnc(SCC(N)=O)n2-3)C1 ZINC000002263084 551803950 /nfs/dbraw/zinc/80/39/50/551803950.db2.gz FGULXNGNWAKRPI-SECBINFHSA-N 0 0 504.667 2.196 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002277142 551805593 /nfs/dbraw/zinc/80/55/93/551805593.db2.gz NARCERMYUSMSSU-VFJWVMJUSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002277144 551805610 /nfs/dbraw/zinc/80/56/10/551805610.db2.gz NARCERMYUSMSSU-RKKARLDVSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002278018 551805740 /nfs/dbraw/zinc/80/57/40/551805740.db2.gz LRLOAIVXECIGEG-VFJWVMJUSA-N 0 0 519.579 2.162 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002278020 551805707 /nfs/dbraw/zinc/80/57/07/551805707.db2.gz LRLOAIVXECIGEG-RKKARLDVSA-N 0 0 519.579 2.162 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002288211 552087886 /nfs/dbraw/zinc/08/78/86/552087886.db2.gz ZXIYXXUKNZSPSE-YDJIHCHBSA-N 0 0 507.955 2.325 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002288213 552087790 /nfs/dbraw/zinc/08/77/90/552087790.db2.gz ZXIYXXUKNZSPSE-NHFXJNLRSA-N 0 0 507.955 2.325 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002288716 551807265 /nfs/dbraw/zinc/80/72/65/551807265.db2.gz VOHYSFSHGWMINE-RWTNITNYSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002288718 551807215 /nfs/dbraw/zinc/80/72/15/551807215.db2.gz VOHYSFSHGWMINE-MFUBYVTQSA-N 0 0 536.562 2.267 50 0 KEAARN CCOC(=O)C1=C(C)n2c(=O)/c(=C3\c4ccccc4N(C(C)=O)C3=O)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000002372401 552105658 /nfs/dbraw/zinc/10/56/58/552105658.db2.gz ZFENLNWBYDIFNU-VFJWVMJUSA-N 0 0 517.563 2.179 50 0 KEAARN COc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccc(S(N)(=O)=O)cc5)o4)c(=O)n3n2)cc1OC ZINC000002383451 552107802 /nfs/dbraw/zinc/10/78/02/552107802.db2.gz TVVPDARIYOAYLZ-NDENLUEZSA-N 0 0 510.553 2.290 50 0 KEAARN COc1ccc(Cc2nn3c(=O)/c(=C/c4cc(Br)c(OC(C)=O)c(OC)c4)sc3nc2=O)cc1 ZINC000002426222 552116699 /nfs/dbraw/zinc/11/66/99/552116699.db2.gz YLUMZKATZUBIQW-ODLFYWEKSA-N 0 0 544.383 2.355 50 0 KEAARN CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 ZINC000002522017 552127355 /nfs/dbraw/zinc/12/73/55/552127355.db2.gz MXYYWCNXBKZDAW-KRWDZBQOSA-N 0 0 514.380 2.262 50 0 KEAARN COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000002554960 552129575 /nfs/dbraw/zinc/12/95/75/552129575.db2.gz SISGBWZDEMMSLV-UOAPUEHGSA-N 0 0 534.359 2.042 50 0 KEAARN O=C(COc1ncnc2c1cnn2-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002620163 552137838 /nfs/dbraw/zinc/13/78/38/552137838.db2.gz ZJBRIFAVTGXNLV-UHFFFAOYSA-N 0 0 512.979 2.381 50 0 KEAARN COc1ccc(C(=O)OCC(=O)NC(=O)[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002626524 552138865 /nfs/dbraw/zinc/13/88/65/552138865.db2.gz HXDQIPNBLMRGNE-HSZRJFAPSA-N 0 0 554.577 2.156 50 0 KEAARN COc1ccc(C(=O)OCC(=O)NC(=O)[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002626526 552138987 /nfs/dbraw/zinc/13/89/87/552138987.db2.gz HXDQIPNBLMRGNE-QHCPKHFHSA-N 0 0 554.577 2.156 50 0 KEAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000002627472 552138883 /nfs/dbraw/zinc/13/88/83/552138883.db2.gz BFELYFUERFJUMD-UHFFFAOYSA-N 0 0 518.878 2.478 50 0 KEAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)n(C)c1=O ZINC000002627479 552138970 /nfs/dbraw/zinc/13/89/70/552138970.db2.gz CCPZFCQADSMPFY-UHFFFAOYSA-N 0 0 575.043 2.230 50 0 KEAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000002629578 552139580 /nfs/dbraw/zinc/13/95/80/552139580.db2.gz FPFTUAULPAVFSF-SFHVURJKSA-N 0 0 525.505 2.115 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)Nc1ccc3c(c1)OCO3)n2C ZINC000002629809 552139673 /nfs/dbraw/zinc/13/96/73/552139673.db2.gz WBBOMUMTUAREBF-UHFFFAOYSA-N 0 0 516.576 2.447 50 0 KEAARN O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000002630950 552139756 /nfs/dbraw/zinc/13/97/56/552139756.db2.gz SKSXKOGLNLAARQ-JKSUJKDBSA-N 0 0 542.290 2.074 50 0 KEAARN O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000002630951 552139643 /nfs/dbraw/zinc/13/96/43/552139643.db2.gz SKSXKOGLNLAARQ-HZPDHXFCSA-N 0 0 542.290 2.074 50 0 KEAARN O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000002630952 552139725 /nfs/dbraw/zinc/13/97/25/552139725.db2.gz SKSXKOGLNLAARQ-HOTGVXAUSA-N 0 0 542.290 2.074 50 0 KEAARN O=S(=O)(c1cc(Br)ccc1Br)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000002630953 552139635 /nfs/dbraw/zinc/13/96/35/552139635.db2.gz SKSXKOGLNLAARQ-CVEARBPZSA-N 0 0 542.290 2.074 50 0 KEAARN CC(=O)Nc1ccc2c(COC(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000002635605 552141090 /nfs/dbraw/zinc/14/10/90/552141090.db2.gz GSYYYPOOYBBHBG-UHFFFAOYSA-N 0 0 514.556 2.448 50 0 KEAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000002635879 552141063 /nfs/dbraw/zinc/14/10/63/552141063.db2.gz CZHXYDDTOFUMTL-UHFFFAOYSA-N 0 0 536.404 2.154 50 0 KEAARN NC(=O)c1c(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 ZINC000002637791 552141545 /nfs/dbraw/zinc/14/15/45/552141545.db2.gz MMLPMOGRTMXEEF-UHFFFAOYSA-N 0 0 519.523 2.205 50 0 KEAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000002639260 552142219 /nfs/dbraw/zinc/14/22/19/552142219.db2.gz AYUGYWUCQMDRJP-FHVRUZERSA-N 0 0 523.567 2.170 50 0 KEAARN CCn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)c2ccc(C)nc21 ZINC000002640735 552143051 /nfs/dbraw/zinc/14/30/51/552143051.db2.gz NUSVALXOGYSBFE-UHFFFAOYSA-N 0 0 533.006 2.068 50 0 KEAARN COCCN(C(=O)CSc1nnc(Nc2ccc(C)cc2)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000002641343 552143068 /nfs/dbraw/zinc/14/30/68/552143068.db2.gz ZXBLWEZCJHKUAL-UHFFFAOYSA-N 0 0 519.653 2.450 50 0 KEAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)c(=O)n(C)c1=O ZINC000002642178 552143284 /nfs/dbraw/zinc/14/32/84/552143284.db2.gz ZKUPHECDAAOCAT-UHFFFAOYSA-N 0 0 538.944 2.279 50 0 KEAARN COC[C@H](C)n1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc2ccccc2c1=O ZINC000002642318 552143317 /nfs/dbraw/zinc/14/33/17/552143317.db2.gz ZXBWTNVXVQBKKQ-INIZCTEOSA-N 0 0 521.599 2.070 50 0 KEAARN COC[C@@H](C)n1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc2ccccc2c1=O ZINC000002642319 552143266 /nfs/dbraw/zinc/14/32/66/552143266.db2.gz ZXBWTNVXVQBKKQ-MRXNPFEDSA-N 0 0 521.599 2.070 50 0 KEAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)cc2C1=O ZINC000002642480 552143530 /nfs/dbraw/zinc/14/35/30/552143530.db2.gz FAFADYUDSFXHTE-UHFFFAOYSA-N 0 0 552.543 2.326 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002652373 552147117 /nfs/dbraw/zinc/14/71/17/552147117.db2.gz CBRGTCLQWLNPRO-UHFFFAOYSA-N 0 0 523.633 2.215 50 0 KEAARN COC(=O)C1CCN(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)CC1 ZINC000002652481 552147124 /nfs/dbraw/zinc/14/71/24/552147124.db2.gz ZCUNWQPSOFKPRZ-UHFFFAOYSA-N 0 0 530.599 2.405 50 0 KEAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000002652513 552147162 /nfs/dbraw/zinc/14/71/62/552147162.db2.gz KOYYOGWZTRDRGU-UHFFFAOYSA-N 0 0 504.374 2.238 50 0 KEAARN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000002653295 552147736 /nfs/dbraw/zinc/14/77/36/552147736.db2.gz IBPWVDRECBKRFV-ZDUSSCGKSA-N 0 0 504.590 2.324 50 0 KEAARN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000002653296 552147687 /nfs/dbraw/zinc/14/76/87/552147687.db2.gz IBPWVDRECBKRFV-CYBMUJFWSA-N 0 0 504.590 2.324 50 0 KEAARN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c12 ZINC000002654248 552148016 /nfs/dbraw/zinc/14/80/16/552148016.db2.gz KXRCLEBFRZIXTM-UHFFFAOYSA-N 0 0 530.566 2.477 50 0 KEAARN C[C@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002654929 552148562 /nfs/dbraw/zinc/14/85/62/552148562.db2.gz YDTWZFQCDURPHW-AWEZNQCLSA-N 0 0 558.594 2.373 50 0 KEAARN C[C@@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002654930 552148569 /nfs/dbraw/zinc/14/85/69/552148569.db2.gz YDTWZFQCDURPHW-CQSZACIVSA-N 0 0 558.594 2.373 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000002655506 552148809 /nfs/dbraw/zinc/14/88/09/552148809.db2.gz YYQYMBVMSXPNSW-UHFFFAOYSA-N 0 0 509.540 2.341 50 0 KEAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c(=O)[nH]c1=O ZINC000002655877 552149199 /nfs/dbraw/zinc/14/91/99/552149199.db2.gz FCTIPEMIEKNTQL-UHFFFAOYSA-N 0 0 593.662 2.446 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000002657484 552149681 /nfs/dbraw/zinc/14/96/81/552149681.db2.gz IJBFCVDXLSMOLW-VGOFMYFVSA-N 0 0 507.634 2.390 50 0 KEAARN Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c12 ZINC000002662844 552150861 /nfs/dbraw/zinc/15/08/61/552150861.db2.gz LXCBEUYUYNMLKB-UHFFFAOYSA-N 0 0 524.537 2.415 50 0 KEAARN O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002664848 552151281 /nfs/dbraw/zinc/15/12/81/552151281.db2.gz DEIBATXRGIECNS-JXMROGBWSA-N 0 0 500.964 2.373 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002665706 552151518 /nfs/dbraw/zinc/15/15/18/552151518.db2.gz OMMKRPTUPJAHJA-DKOMQPSQSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000002665708 552151520 /nfs/dbraw/zinc/15/15/20/552151520.db2.gz OMMKRPTUPJAHJA-IZBTWGKQSA-N 0 0 536.562 2.267 50 0 KEAARN Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)cc1 ZINC000002687397 552156932 /nfs/dbraw/zinc/15/69/32/552156932.db2.gz PPEQIIADMLRZQA-UHFFFAOYSA-N 0 0 501.568 2.214 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccccc3)c2=O)cc1OC ZINC000002690276 552158378 /nfs/dbraw/zinc/15/83/78/552158378.db2.gz QOMOFEPPKIZRGZ-UHFFFAOYSA-N 0 0 522.583 2.240 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1OC ZINC000002690278 552158380 /nfs/dbraw/zinc/15/83/80/552158380.db2.gz RRBGHFIFFLUJMF-UHFFFAOYSA-N 0 0 540.573 2.379 50 0 KEAARN CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(Cc3cc(=O)n5ccccc5n3)c2=O)CN(C(C)=O)CC4)c1 ZINC000002693330 552158802 /nfs/dbraw/zinc/15/88/02/552158802.db2.gz GPIFTXRWCMVDBM-UHFFFAOYSA-N 0 0 541.589 2.377 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccccc1 ZINC000002697384 552159577 /nfs/dbraw/zinc/15/95/77/552159577.db2.gz OMOYNYMNDRAHLA-LYHOESIGSA-N 0 0 510.369 2.493 50 0 KEAARN Cn1c2nc(CN3CCN(C(=O)c4ccco4)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000002707107 552160399 /nfs/dbraw/zinc/16/03/99/552160399.db2.gz VPWLRQCWJGOQNU-UHFFFAOYSA-N 0 0 531.400 2.340 50 0 KEAARN CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000002710177 552160712 /nfs/dbraw/zinc/16/07/12/552160712.db2.gz ZWIFDMQRUPYCMM-UHFFFAOYSA-N 0 0 507.015 2.120 50 0 KEAARN NS(=O)(=O)c1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)[nH]c3=O)cc1 ZINC000002718464 552163424 /nfs/dbraw/zinc/16/34/24/552163424.db2.gz VWAKSQKHAGNDDA-UHFFFAOYSA-N 0 0 540.505 2.386 50 0 KEAARN CCOc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(S(N)(=O)=O)cc3)c(=O)[nH]2)cc1 ZINC000002718470 552163441 /nfs/dbraw/zinc/16/34/41/552163441.db2.gz HRRNDQRXPXGAMJ-UHFFFAOYSA-N 0 0 500.562 2.298 50 0 KEAARN NS(=O)(=O)c1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(Br)cc2)[nH]c3=O)cc1 ZINC000002718471 552163407 /nfs/dbraw/zinc/16/34/07/552163407.db2.gz ZRJSZRCMGOSUSK-UHFFFAOYSA-N 0 0 535.405 2.250 50 0 KEAARN COc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc(OC)c1OC ZINC000002723546 552165896 /nfs/dbraw/zinc/16/58/96/552165896.db2.gz FMWPPHFIRFPCNT-UHFFFAOYSA-N 0 0 504.521 2.036 50 0 KEAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CN(C(C)C)CC2 ZINC000002725200 552166883 /nfs/dbraw/zinc/16/68/83/552166883.db2.gz IJWCRMDRERMCIC-UHFFFAOYSA-N 0 0 506.650 2.147 50 0 KEAARN C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 ZINC000002745635 552173369 /nfs/dbraw/zinc/17/33/69/552173369.db2.gz NVLUHBUDSSFHCZ-ZETCQYMHSA-N 0 0 503.391 2.437 50 0 KEAARN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3c(I)cnn3C)c2C(N)=O)C1 ZINC000002745636 552173371 /nfs/dbraw/zinc/17/33/71/552173371.db2.gz NVLUHBUDSSFHCZ-SSDOTTSWSA-N 0 0 503.391 2.437 50 0 KEAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002843458 552199862 /nfs/dbraw/zinc/19/98/62/552199862.db2.gz BQPSNMXMPOCRAF-UHFFFAOYSA-N 0 0 591.639 2.452 50 0 KEAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000002851891 552201437 /nfs/dbraw/zinc/20/14/37/552201437.db2.gz QYEDFDGENOGDEI-UHFFFAOYSA-N 0 0 514.025 2.398 50 0 KEAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(I)cc1 ZINC000002852628 552201419 /nfs/dbraw/zinc/20/14/19/552201419.db2.gz YBICPYSWPMATQM-UHFFFAOYSA-N 0 0 543.383 2.168 50 0 KEAARN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000002855770 552202213 /nfs/dbraw/zinc/20/22/13/552202213.db2.gz YZQMXFJNSTXEIA-UHFFFAOYSA-N 0 0 531.372 2.072 50 0 KEAARN COC(=O)c1ccccc1NC(=O)CSc1nnc([C@@H](CO)NC(=O)c2ccccc2Cl)n1C ZINC000002872464 552206880 /nfs/dbraw/zinc/20/68/80/552206880.db2.gz ROVASPMRVJBWGT-QGZVFWFLSA-N 0 0 503.968 2.449 50 0 KEAARN COC(=O)c1ccccc1NC(=O)CSc1nnc([C@H](CO)NC(=O)c2ccccc2Cl)n1C ZINC000002872465 552206868 /nfs/dbraw/zinc/20/68/68/552206868.db2.gz ROVASPMRVJBWGT-KRWDZBQOSA-N 0 0 503.968 2.449 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000002909072 552213465 /nfs/dbraw/zinc/21/34/65/552213465.db2.gz DAKPPFJWFDBZJE-UHFFFAOYSA-N 0 0 558.663 2.333 50 0 KEAARN Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 ZINC000002912156 552214912 /nfs/dbraw/zinc/21/49/12/552214912.db2.gz LJUBMVFHYVMLTC-UHFFFAOYSA-N 0 0 516.023 2.241 50 0 KEAARN CCOC(=O)c1ccc(-n2c(=O)c3cc4c(cc3c2=O)c(=O)n(-c2ccc(C(=O)OCC)cc2)c4=O)cc1 ZINC000002923762 552222373 /nfs/dbraw/zinc/22/23/73/552222373.db2.gz QGBFKTKBXXTRAU-UHFFFAOYSA-N 0 0 512.474 2.244 50 0 KEAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002924769 552222369 /nfs/dbraw/zinc/22/23/69/552222369.db2.gz LLUJJQYKUYNIHU-UHFFFAOYSA-N 0 0 500.024 2.455 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000002928721 552225347 /nfs/dbraw/zinc/22/53/47/552225347.db2.gz IQKKZGJECISXFT-QGZVFWFLSA-N 0 0 507.590 2.347 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000002928723 552225357 /nfs/dbraw/zinc/22/53/57/552225357.db2.gz IQKKZGJECISXFT-KRWDZBQOSA-N 0 0 507.590 2.347 50 0 KEAARN CCOC(=O)c1cccc(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000002928946 552225423 /nfs/dbraw/zinc/22/54/23/552225423.db2.gz AFRANAUDQBOOSO-QGZVFWFLSA-N 0 0 507.590 2.347 50 0 KEAARN CCOC(=O)c1cccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000002928947 552225439 /nfs/dbraw/zinc/22/54/39/552225439.db2.gz AFRANAUDQBOOSO-KRWDZBQOSA-N 0 0 507.590 2.347 50 0 KEAARN CC(=O)OCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CCCOC(C)=O)C4=O)cc2C1=O ZINC000002939878 561681291 /nfs/dbraw/zinc/68/12/91/561681291.db2.gz WWVOOHJFEKHFQG-UHFFFAOYSA-N 0 0 520.494 2.016 50 0 KEAARN COc1ccc(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n(Cc2ccc4c(c2)OCO4)c3=O)cc1OC ZINC000002952741 552229953 /nfs/dbraw/zinc/22/99/53/552229953.db2.gz HIPPDLXRUIMSFG-UHFFFAOYSA-N 0 0 503.511 2.457 50 0 KEAARN COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3c2=O)cc1OC ZINC000002952771 552229939 /nfs/dbraw/zinc/22/99/39/552229939.db2.gz VLBDYKQXPJZPNL-UHFFFAOYSA-N 0 0 515.570 2.307 50 0 KEAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1cc(=O)n2ccccc2n1 ZINC000002957121 552232661 /nfs/dbraw/zinc/23/26/61/552232661.db2.gz CDEMJWJTWXTSPS-UHFFFAOYSA-N 0 0 505.531 2.419 50 0 KEAARN Nc1c(C(=O)NCCNC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2N)nnn1-c1cccc(C(F)(F)F)c1 ZINC000002957663 552232974 /nfs/dbraw/zinc/23/29/74/552232974.db2.gz BFEVHGDPZVCWPB-UHFFFAOYSA-N 0 0 568.442 2.210 50 0 KEAARN CC(C)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000002964504 552235634 /nfs/dbraw/zinc/23/56/34/552235634.db2.gz BKSVJMKGMKWCRL-FQEVSTJZSA-N 0 0 513.645 2.431 50 0 KEAARN CC(C)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000002964505 552235619 /nfs/dbraw/zinc/23/56/19/552235619.db2.gz BKSVJMKGMKWCRL-HXUWFJFHSA-N 0 0 513.645 2.431 50 0 KEAARN CC[C@@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000002964623 552235660 /nfs/dbraw/zinc/23/56/60/552235660.db2.gz SDCAAGJNPAEIEF-VFNWGFHPSA-N 0 0 513.645 2.431 50 0 KEAARN CC[C@H](C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000002964624 552235627 /nfs/dbraw/zinc/23/56/27/552235627.db2.gz SDCAAGJNPAEIEF-BTYIYWSLSA-N 0 0 513.645 2.431 50 0 KEAARN CC[C@@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000002964626 552235641 /nfs/dbraw/zinc/23/56/41/552235641.db2.gz SDCAAGJNPAEIEF-QVKFZJNVSA-N 0 0 513.645 2.431 50 0 KEAARN CC[C@H](C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000002964627 552235617 /nfs/dbraw/zinc/23/56/17/552235617.db2.gz SDCAAGJNPAEIEF-YCRPNKLZSA-N 0 0 513.645 2.431 50 0 KEAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)n[nH]1 ZINC000002968609 552241395 /nfs/dbraw/zinc/24/13/95/552241395.db2.gz OYFBNSRCWVQCDM-SFHVURJKSA-N 0 0 545.581 2.484 50 0 KEAARN Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)n[nH]1 ZINC000002968612 552241434 /nfs/dbraw/zinc/24/14/34/552241434.db2.gz OYFBNSRCWVQCDM-GOSISDBHSA-N 0 0 545.581 2.484 50 0 KEAARN Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)n3n2)n1 ZINC000002969176 552242542 /nfs/dbraw/zinc/24/25/42/552242542.db2.gz WCDNCZDJXHFPQI-UHFFFAOYSA-N 0 0 564.697 2.432 50 0 KEAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)NCc1ccccc1)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000002970487 552243462 /nfs/dbraw/zinc/24/34/62/552243462.db2.gz RNMNQXTVLPFYRA-UHFFFAOYSA-N 0 0 566.661 2.482 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000002970984 552243738 /nfs/dbraw/zinc/24/37/38/552243738.db2.gz GGALEOXAPNFOIW-UHFFFAOYSA-N 0 0 552.634 2.272 50 0 KEAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cc(C)on1)n(CCc1ccc(S(N)(=O)=O)cc1)c2=O ZINC000002971127 552244056 /nfs/dbraw/zinc/24/40/56/552244056.db2.gz LMGBZGHXKSNHGK-UHFFFAOYSA-N 0 0 557.610 2.100 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc3c(c2)OCO3)cc1 ZINC000002971324 552244187 /nfs/dbraw/zinc/24/41/87/552244187.db2.gz GZMWCZJKBANYCP-UHFFFAOYSA-N 0 0 538.607 2.213 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2COc3ccccc3O2)cc1 ZINC000002971641 552244657 /nfs/dbraw/zinc/24/46/57/552244657.db2.gz VCOJZTYKPKXLBE-IBGZPJMESA-N 0 0 566.661 2.335 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2C[C@@H]2COc3ccccc3O2)cc1 ZINC000002971643 552244653 /nfs/dbraw/zinc/24/46/53/552244653.db2.gz VCOJZTYKPKXLBE-LJQANCHMSA-N 0 0 566.661 2.335 50 0 KEAARN Cc1cc(NC(=O)CSc2nc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c(=O)n2Cc2ccco2)n[nH]1 ZINC000002973998 552245916 /nfs/dbraw/zinc/24/59/16/552245916.db2.gz QAVNBXPYBONJNF-UHFFFAOYSA-N 0 0 549.613 2.138 50 0 KEAARN CCOC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3 ZINC000002975560 552246927 /nfs/dbraw/zinc/24/69/27/552246927.db2.gz OSGQPYCNHFGOSQ-UHFFFAOYSA-N 0 0 513.528 2.216 50 0 KEAARN NC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCCCC(=O)NCc1ccc2c(c1)OCO2)OCO3 ZINC000002975661 552247410 /nfs/dbraw/zinc/24/74/10/552247410.db2.gz QCTPZCMHAJTPAT-UHFFFAOYSA-N 0 0 526.571 2.308 50 0 KEAARN NC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3 ZINC000002975662 552247362 /nfs/dbraw/zinc/24/73/62/552247362.db2.gz QYOMDPORJKPLNU-UHFFFAOYSA-N 0 0 546.561 2.410 50 0 KEAARN COc1cc2nc(SCC(=O)NCc3ccco3)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC ZINC000002975714 552247694 /nfs/dbraw/zinc/24/76/94/552247694.db2.gz KXAUOJKMFXOEFP-UHFFFAOYSA-N 0 0 558.638 2.305 50 0 KEAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000003007080 552254736 /nfs/dbraw/zinc/25/47/36/552254736.db2.gz YSABFGJJUNTTEZ-GJZGRUSLSA-N 0 0 506.650 2.275 50 0 KEAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)CN(C(C)=O)CC2 ZINC000003007257 552255257 /nfs/dbraw/zinc/25/52/57/552255257.db2.gz FQYRACCDNZWYIO-GASCZTMLSA-N 0 0 535.644 2.490 50 0 KEAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)CN(C(C)=O)CC2 ZINC000003007258 552255492 /nfs/dbraw/zinc/25/54/92/552255492.db2.gz FQYRACCDNZWYIO-HUUCEWRRSA-N 0 0 535.644 2.490 50 0 KEAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)CN(C(C)=O)CC2 ZINC000003007259 552255511 /nfs/dbraw/zinc/25/55/11/552255511.db2.gz FQYRACCDNZWYIO-GJZGRUSLSA-N 0 0 535.644 2.490 50 0 KEAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C(C)=O)C2 ZINC000003007285 552255551 /nfs/dbraw/zinc/25/55/51/552255551.db2.gz WAYAFTWVHJRUKC-UHFFFAOYSA-N 0 0 521.617 2.103 50 0 KEAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2C(N)=O)C1 ZINC000003007305 552255682 /nfs/dbraw/zinc/25/56/82/552255682.db2.gz ZBBZWLCXMYVKGS-AWEZNQCLSA-N 0 0 504.634 2.425 50 0 KEAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000003007306 552255670 /nfs/dbraw/zinc/25/56/70/552255670.db2.gz ZBBZWLCXMYVKGS-CQSZACIVSA-N 0 0 504.634 2.425 50 0 KEAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2C(N)=O)C1 ZINC000003007307 552255684 /nfs/dbraw/zinc/25/56/84/552255684.db2.gz YVFXHNDZJWFCPS-UHFFFAOYSA-N 0 0 504.634 2.425 50 0 KEAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003008903 552255933 /nfs/dbraw/zinc/25/59/33/552255933.db2.gz FZWJEQNCLXVVOI-UHFFFAOYSA-N 0 0 537.019 2.227 50 0 KEAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003009063 552256025 /nfs/dbraw/zinc/25/60/25/552256025.db2.gz MZIVJFFZDLFISE-UHFFFAOYSA-N 0 0 537.019 2.227 50 0 KEAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000003009346 552256233 /nfs/dbraw/zinc/25/62/33/552256233.db2.gz WQVCIUALWGLSMR-UHFFFAOYSA-N 0 0 504.565 2.477 50 0 KEAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCCC4)cc2)CS(=O)(=O)C3)cc1 ZINC000003009460 552256231 /nfs/dbraw/zinc/25/62/31/552256231.db2.gz GGPLZUPNNYLPMI-UHFFFAOYSA-N 0 0 516.601 2.346 50 0 KEAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CS(=O)(=O)C3)c1C ZINC000003009605 552256202 /nfs/dbraw/zinc/25/62/02/552256202.db2.gz DBPGUFWZUWKWOX-UHFFFAOYSA-N 0 0 530.628 2.191 50 0 KEAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CS(=O)(=O)C3)c(C)c1 ZINC000003009742 552256210 /nfs/dbraw/zinc/25/62/10/552256210.db2.gz HUFUKTWJTPSTPR-UHFFFAOYSA-N 0 0 530.628 2.191 50 0 KEAARN O=S(=O)(c1ccc(Cc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CCC2(CC1)OCCO2 ZINC000003017787 552261214 /nfs/dbraw/zinc/26/12/14/552261214.db2.gz NTGIPMRVPTXFEV-UHFFFAOYSA-N 0 0 578.709 2.333 50 0 KEAARN O=S(=O)(c1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)cc1)N1CCC2(CC1)OCCO2 ZINC000003017844 552261376 /nfs/dbraw/zinc/26/13/76/552261376.db2.gz RUOSJGVBHKXEQJ-UHFFFAOYSA-N 0 0 564.682 2.409 50 0 KEAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)cc1OC ZINC000003020607 552263679 /nfs/dbraw/zinc/26/36/79/552263679.db2.gz NOFGYOZBBXZCOE-UHFFFAOYSA-N 0 0 508.568 2.343 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2C)CC1 ZINC000003046857 552276114 /nfs/dbraw/zinc/27/61/14/552276114.db2.gz DHPFIWYOCMCSIN-UHFFFAOYSA-N 0 0 521.592 2.183 50 0 KEAARN Cc1c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2oc1C(=O)N1CCC2(CC1)OCCO2 ZINC000003046867 552276129 /nfs/dbraw/zinc/27/61/29/552276129.db2.gz PBNFXYZGPTTXCV-UHFFFAOYSA-N 0 0 506.577 2.248 50 0 KEAARN O=C(N[C@@H]1OC(=O)C(Br)=C1Br)N[C@H]1OC(=O)C(Br)=C1Br ZINC000003102179 552288207 /nfs/dbraw/zinc/28/82/07/552288207.db2.gz JZHRZXBIRHWARA-OLQVQODUSA-N 0 0 539.756 2.054 50 0 KEAARN O=C(N[C@@H]1OC(=O)C(Br)=C1Br)N[C@@H]1OC(=O)C(Br)=C1Br ZINC000003102180 552288152 /nfs/dbraw/zinc/28/81/52/552288152.db2.gz JZHRZXBIRHWARA-PHDIDXHHSA-N 0 0 539.756 2.054 50 0 KEAARN O=C(N[C@H]1OC(=O)C(Br)=C1Br)N[C@H]1OC(=O)C(Br)=C1Br ZINC000003102181 552288102 /nfs/dbraw/zinc/28/81/02/552288102.db2.gz JZHRZXBIRHWARA-WDSKDSINSA-N 0 0 539.756 2.054 50 0 KEAARN COc1ccc(CCn2c(=O)c3cc4c(cc3c2=O)c(=O)n(CCc2ccc(OC)c(OC)c2)c4=O)cc1OC ZINC000003119222 552290801 /nfs/dbraw/zinc/29/08/01/552290801.db2.gz VCWWYWHXLFMROL-UHFFFAOYSA-N 0 0 544.560 2.432 50 0 KEAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003164220 552297949 /nfs/dbraw/zinc/29/79/49/552297949.db2.gz XYPJMKCARCANSP-UHFFFAOYSA-N 0 0 512.565 2.337 50 0 KEAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 ZINC000003188634 552301869 /nfs/dbraw/zinc/30/18/69/552301869.db2.gz VGQOVLKRKLZQBI-UHFFFAOYSA-N 0 0 502.330 2.330 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)c1 ZINC000003202852 552304295 /nfs/dbraw/zinc/30/42/95/552304295.db2.gz NDLDQWFGVCGIAQ-UHFFFAOYSA-N 0 0 558.682 2.047 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003218218 552308724 /nfs/dbraw/zinc/30/87/24/552308724.db2.gz ZQTDJZANPUULCK-UHFFFAOYSA-N 0 0 585.660 2.254 50 0 KEAARN Cc1ccc(C(=O)OCC(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000003219463 552309275 /nfs/dbraw/zinc/30/92/75/552309275.db2.gz SKVPEFJSPDXHOQ-UHFFFAOYSA-N 0 0 544.367 2.416 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 ZINC000003222085 552310771 /nfs/dbraw/zinc/31/07/71/552310771.db2.gz UXKZGUKGOUXJLQ-UHFFFAOYSA-N 0 0 529.596 2.271 50 0 KEAARN O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 ZINC000003225307 552312265 /nfs/dbraw/zinc/31/22/65/552312265.db2.gz BWDDCNQASLXVET-UHFFFAOYSA-N 0 0 558.394 2.427 50 0 KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccc(Br)cc1 ZINC000003228616 552314199 /nfs/dbraw/zinc/31/41/99/552314199.db2.gz HAYYFMCZCYSRLS-UHFFFAOYSA-N 0 0 501.330 2.405 50 0 KEAARN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003229124 552314326 /nfs/dbraw/zinc/31/43/26/552314326.db2.gz NBESAFNKIWKMQS-GOSISDBHSA-N 0 0 512.588 2.453 50 0 KEAARN Cc1c(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003229125 552314340 /nfs/dbraw/zinc/31/43/40/552314340.db2.gz NBESAFNKIWKMQS-SFHVURJKSA-N 0 0 512.588 2.453 50 0 KEAARN O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(I)cc1 ZINC000003231836 552315703 /nfs/dbraw/zinc/31/57/03/552315703.db2.gz LPWDZMLWFYUARX-UHFFFAOYSA-N 0 0 550.396 2.098 50 0 KEAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003234948 552316254 /nfs/dbraw/zinc/31/62/54/552316254.db2.gz ZMTAHUAVAUWRHY-UHFFFAOYSA-N 0 0 505.622 2.154 50 0 KEAARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc2ccccc2cc1O ZINC000003235213 552316593 /nfs/dbraw/zinc/31/65/93/552316593.db2.gz FRPUKDKUGXKKAO-UHFFFAOYSA-N 0 0 500.529 2.370 50 0 KEAARN O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(I)cc1 ZINC000003235688 552316779 /nfs/dbraw/zinc/31/67/79/552316779.db2.gz CNDCGBFKAMWOOJ-UHFFFAOYSA-N 0 0 530.340 2.108 50 0 KEAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000003236022 552317050 /nfs/dbraw/zinc/31/70/50/552317050.db2.gz JJHSUKZXPIVGGA-UHFFFAOYSA-N 0 0 554.563 2.424 50 0 KEAARN Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003238896 552317843 /nfs/dbraw/zinc/31/78/43/552317843.db2.gz KYFHLFNBEMZIAF-UHFFFAOYSA-N 0 0 504.996 2.435 50 0 KEAARN CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003239941 552318158 /nfs/dbraw/zinc/31/81/58/552318158.db2.gz GFLAAQLWPBDHGV-UHFFFAOYSA-N 0 0 511.394 2.285 50 0 KEAARN CC(C)Cn1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003244825 552320181 /nfs/dbraw/zinc/32/01/81/552320181.db2.gz SYGVSLWMNXHKGY-UHFFFAOYSA-N 0 0 541.659 2.477 50 0 KEAARN Cc1c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000003244988 552320163 /nfs/dbraw/zinc/32/01/63/552320163.db2.gz BVPDNXLCZPVZJH-UHFFFAOYSA-N 0 0 518.617 2.129 50 0 KEAARN NC(=O)c1ccc(NC(=O)CSc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)cc1 ZINC000003246184 552320702 /nfs/dbraw/zinc/32/07/02/552320702.db2.gz DYWLQDSZWXZUHL-UHFFFAOYSA-N 0 0 502.603 2.198 50 0 KEAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCc2ccccc2C1 ZINC000003247826 552321185 /nfs/dbraw/zinc/32/11/85/552321185.db2.gz BXEXSUFGYLRTIG-UHFFFAOYSA-N 0 0 500.602 2.435 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[nH]2)c(=O)n(C)c1=O ZINC000003248497 552321467 /nfs/dbraw/zinc/32/14/67/552321467.db2.gz WACJJCDSZRPPAS-UHFFFAOYSA-N 0 0 524.506 2.432 50 0 KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003255767 552324088 /nfs/dbraw/zinc/32/40/88/552324088.db2.gz NWBIWOXFTVEJQY-UHFFFAOYSA-N 0 0 504.439 2.107 50 0 in-vitro,metabolite KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1O)NC(c1ccccc1)c1ccccc1 ZINC000003255784 552324160 /nfs/dbraw/zinc/32/41/60/552324160.db2.gz ZOXDWAXQRMGBLA-UHFFFAOYSA-N 0 0 510.568 2.476 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000003258106 552324612 /nfs/dbraw/zinc/32/46/12/552324612.db2.gz LXUHEHISEXKNCC-UHFFFAOYSA-N 0 0 502.593 2.020 50 0 KEAARN CN(C)S(=O)(=O)c1cc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)ccc1Cl ZINC000003258330 552324598 /nfs/dbraw/zinc/32/45/98/552324598.db2.gz KNVUMOPXDBVKTF-UHFFFAOYSA-N 0 0 501.435 2.327 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)c(=O)n(C)c1=O ZINC000003258381 552324566 /nfs/dbraw/zinc/32/45/66/552324566.db2.gz HJHASLBUMFQJMM-UHFFFAOYSA-N 0 0 501.634 2.407 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003259730 552325818 /nfs/dbraw/zinc/32/58/18/552325818.db2.gz BCHWUOVJCNGUDV-UHFFFAOYSA-N 0 0 537.594 2.168 50 0 KEAARN O=C(CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000003263338 552327580 /nfs/dbraw/zinc/32/75/80/552327580.db2.gz PTSNQNWZIJQWCL-UHFFFAOYSA-N 0 0 539.566 2.497 50 0 KEAARN COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCOCC3)c2)cc1Cl ZINC000003264663 552328182 /nfs/dbraw/zinc/32/81/82/552328182.db2.gz DAVLSZRFNVRPHZ-UHFFFAOYSA-N 0 0 512.968 2.198 50 0 KEAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000003275499 552333844 /nfs/dbraw/zinc/33/38/44/552333844.db2.gz BMWSHHMNHKWYDR-UHFFFAOYSA-N 0 0 513.355 2.467 50 0 KEAARN O=C(CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003279822 552335643 /nfs/dbraw/zinc/33/56/43/552335643.db2.gz CKOWCPYUDWWZEC-MUUNZHRXSA-N 0 0 532.622 2.152 50 0 KEAARN O=C(CN1C(=O)N[C@]2(CCc3ccccc3C2)C1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003279825 552335572 /nfs/dbraw/zinc/33/55/72/552335572.db2.gz CKOWCPYUDWWZEC-NDEPHWFRSA-N 0 0 532.622 2.152 50 0 KEAARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000003288057 552338611 /nfs/dbraw/zinc/33/86/11/552338611.db2.gz PANRGOOEFKDBOU-UHFFFAOYSA-N 0 0 517.585 2.017 50 0 KEAARN CCCCN(C(=O)CSc1nnc(C(F)(F)F)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003288278 552338913 /nfs/dbraw/zinc/33/89/13/552338913.db2.gz NQRBZRLEHOROJP-UHFFFAOYSA-N 0 0 511.530 2.240 50 0 KEAARN COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003295318 552342700 /nfs/dbraw/zinc/34/27/00/552342700.db2.gz JRRGOHCKTSHEDP-YUAYGMJFSA-N 0 0 514.600 2.466 50 0 KEAARN COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000003295322 552342822 /nfs/dbraw/zinc/34/28/22/552342822.db2.gz JRRGOHCKTSHEDP-RSNBEDGSSA-N 0 0 514.600 2.466 50 0 KEAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000003296714 552343481 /nfs/dbraw/zinc/34/34/81/552343481.db2.gz RXGAGHVGXZJVRX-GOSISDBHSA-N 0 0 526.398 2.403 50 0 KEAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)C[C@@H](C)CC2 ZINC000003300087 552345695 /nfs/dbraw/zinc/34/56/95/552345695.db2.gz OAHUJGXZXQUEPY-ZDUSSCGKSA-N 0 0 507.590 2.029 50 0 KEAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)C[C@H](C)CC2 ZINC000003300090 552345669 /nfs/dbraw/zinc/34/56/69/552345669.db2.gz OAHUJGXZXQUEPY-CYBMUJFWSA-N 0 0 507.590 2.029 50 0 KEAARN O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003300646 552345862 /nfs/dbraw/zinc/34/58/62/552345862.db2.gz NTRJMUIJZJFIAN-UHFFFAOYSA-N 0 0 552.591 2.034 50 0 KEAARN Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C ZINC000003302134 552346501 /nfs/dbraw/zinc/34/65/01/552346501.db2.gz KVDBNJKXNINEGJ-HNNXBMFYSA-N 0 0 507.634 2.418 50 0 KEAARN COc1ccc2c(c1)c(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000003303481 552347495 /nfs/dbraw/zinc/34/74/95/552347495.db2.gz GMYFOWRULNCRNB-UHFFFAOYSA-N 0 0 552.971 2.248 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N3CCOCC3)n2-c2ccc(F)cc2)c1 ZINC000003304240 552348076 /nfs/dbraw/zinc/34/80/76/552348076.db2.gz XMUIDWKFTODWEL-UHFFFAOYSA-N 0 0 505.597 2.275 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000003304831 552348400 /nfs/dbraw/zinc/34/84/00/552348400.db2.gz CBZGDOHMENKTKL-UHFFFAOYSA-N 0 0 541.969 2.304 50 0 KEAARN COCCCN(C(=S)NC(=O)c1ccc(Br)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003306785 552349537 /nfs/dbraw/zinc/34/95/37/552349537.db2.gz NURIZXLTSGAJBO-UHFFFAOYSA-N 0 0 546.447 2.487 50 0 KEAARN O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)NCCN1C(=O)CSC1=O ZINC000003309126 552350291 /nfs/dbraw/zinc/35/02/91/552350291.db2.gz ITJOPPPLQOYOID-UHFFFAOYSA-N 0 0 512.617 2.164 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000003309949 552351070 /nfs/dbraw/zinc/35/10/70/552351070.db2.gz NQUBDNMASGKDMC-NTEUORMPSA-N 0 0 511.625 2.458 50 0 KEAARN COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2C2CCCCC2)cc1OC ZINC000003314782 552353309 /nfs/dbraw/zinc/35/33/09/552353309.db2.gz LWRXIVYRLKQXDO-UHFFFAOYSA-N 0 0 514.608 2.422 50 0 KEAARN COc1ccc(-c2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2CCc2ccccc2)cc1 ZINC000003316315 552353903 /nfs/dbraw/zinc/35/39/03/552353903.db2.gz NLYBLFMHTANTMD-UHFFFAOYSA-N 0 0 506.588 2.151 50 0 KEAARN CC(C)c1ccccc1NC(=O)COC(=O)Cc1[nH]c2c(c1O)c(=O)n(C)c(=O)n2Cc1ccccc1 ZINC000003317516 552354419 /nfs/dbraw/zinc/35/44/19/552354419.db2.gz AHJNYDOARNFWPK-FQEVSTJZSA-N 0 0 504.543 2.268 50 0 KEAARN CCOc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000003324922 552356911 /nfs/dbraw/zinc/35/69/11/552356911.db2.gz PRFFOZPISIKSQQ-UHFFFAOYSA-N 0 0 539.639 2.289 50 0 KEAARN COc1ccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000003325333 552357081 /nfs/dbraw/zinc/35/70/81/552357081.db2.gz PMYMIWXMLXPHPQ-UHFFFAOYSA-N 0 0 539.639 2.289 50 0 KEAARN NC(=O)c1c2c(sc1NC(=O)COC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1Cl)CCCC2 ZINC000003329750 552358769 /nfs/dbraw/zinc/35/87/69/552358769.db2.gz PWJMDVVTDGJPSU-UHFFFAOYSA-N 0 0 542.035 2.196 50 0 KEAARN Cc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCC4)c1 ZINC000003331743 552359601 /nfs/dbraw/zinc/35/96/01/552359601.db2.gz YZOZJJZDFNUTFH-UHFFFAOYSA-N 0 0 509.613 2.199 50 0 KEAARN O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003332192 552359864 /nfs/dbraw/zinc/35/98/64/552359864.db2.gz JYQFAQDPCJOSPY-UHFFFAOYSA-N 0 0 521.539 2.033 50 0 KEAARN COCCN(C(=O)CSc1nnc2cc(C)c3ccccc3n21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003332362 552360078 /nfs/dbraw/zinc/36/00/78/552360078.db2.gz CWROWDSZJKDQMW-UHFFFAOYSA-N 0 0 545.625 2.443 50 0 KEAARN O=C(CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccco1 ZINC000003334673 552360569 /nfs/dbraw/zinc/36/05/69/552360569.db2.gz AWPOPUUFLZQCLU-UHFFFAOYSA-N 0 0 510.366 2.259 50 0 KEAARN O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NC(=O)NCc1ccccc1 ZINC000003336657 552361320 /nfs/dbraw/zinc/36/13/20/552361320.db2.gz KGRFCPHCIUDCQR-UHFFFAOYSA-N 0 0 525.539 2.441 50 0 KEAARN CN(C(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000003337765 552361727 /nfs/dbraw/zinc/36/17/27/552361727.db2.gz UCWSONYEBDDBBA-LJQANCHMSA-N 0 0 506.536 2.443 50 0 KEAARN CCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c(N)n(Cc2ccccc2)c1=O ZINC000003340973 552362947 /nfs/dbraw/zinc/36/29/47/552362947.db2.gz GJPXELMJJBDLAQ-UHFFFAOYSA-N 0 0 513.982 2.076 50 0 KEAARN CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000003342470 552363728 /nfs/dbraw/zinc/36/37/28/552363728.db2.gz CNCXTZJKLXNLFV-UHFFFAOYSA-N 0 0 501.483 2.246 50 0 KEAARN CCOc1ccc(-n2c([S-])c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)[n+]3cc(C(N)=O)ccc23)cc1 ZINC000003342797 552363710 /nfs/dbraw/zinc/36/37/10/552363710.db2.gz COORZFOJHWACCQ-UHFFFAOYSA-O 0 0 582.684 2.276 50 0 KEAARN COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl ZINC000003351721 552367397 /nfs/dbraw/zinc/36/73/97/552367397.db2.gz MWYFJAUNKFLXMS-XNTDXEJSSA-N 0 0 529.962 2.281 50 0 KEAARN Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003353179 552367593 /nfs/dbraw/zinc/36/75/93/552367593.db2.gz RYQIGUUOPNIBAB-XMMPIXPASA-N 0 0 567.089 2.270 50 0 KEAARN COc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3sc4c(c3c2=O)CCCC4)c1 ZINC000003356041 552369062 /nfs/dbraw/zinc/36/90/62/552369062.db2.gz AYVZIFQGADLNKJ-UHFFFAOYSA-N 0 0 539.639 2.289 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000003356153 552369303 /nfs/dbraw/zinc/36/93/03/552369303.db2.gz YOJMGWNCUXUUHL-UHFFFAOYSA-N 0 0 512.979 2.454 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)c(=O)n(C)c1=O ZINC000003359193 552370358 /nfs/dbraw/zinc/37/03/58/552370358.db2.gz JHIYVMGFIKFKNJ-UHFFFAOYSA-N 0 0 537.005 2.273 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(=O)n(C)c1=O ZINC000003360289 552370590 /nfs/dbraw/zinc/37/05/90/552370590.db2.gz QRFQCDNVOIIWDD-UHFFFAOYSA-N 0 0 509.613 2.281 50 0 KEAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000003360367 552370897 /nfs/dbraw/zinc/37/08/97/552370897.db2.gz BCEIHMFQWBCERK-UHFFFAOYSA-N 0 0 506.588 2.211 50 0 KEAARN Cn1c(N)c(C(=O)COC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000003360908 552370880 /nfs/dbraw/zinc/37/08/80/552370880.db2.gz DDOJOVCRVIOJOB-UHFFFAOYSA-N 0 0 540.989 2.086 50 0 KEAARN O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCc1ccc2c(c1)OCO2 ZINC000003361581 552371437 /nfs/dbraw/zinc/37/14/37/552371437.db2.gz YKXLETHKPZHGBW-UHFFFAOYSA-N 0 0 526.523 2.461 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000003363352 552372224 /nfs/dbraw/zinc/37/22/24/552372224.db2.gz LSZAHCLYEVZUAH-UHFFFAOYSA-N 0 0 520.460 2.400 50 0 KEAARN CCc1sc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(-c3cccc(OC)c3)c(=O)c2c1C ZINC000003363421 552372167 /nfs/dbraw/zinc/37/21/67/552372167.db2.gz ZDFKXDMKEPYEGI-UHFFFAOYSA-N 0 0 527.628 2.281 50 0 KEAARN CCc1cc2c(nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(CCc3ccc(OC)c(OC)c3)c2=O)s1 ZINC000003367384 552374177 /nfs/dbraw/zinc/37/41/77/552374177.db2.gz AOXSSQFRURWYLG-UHFFFAOYSA-N 0 0 571.681 2.235 50 0 KEAARN CNS(=O)(=O)c1cccc(C(=O)OCc2ccc(COC(=O)c3cccc(S(=O)(=O)NC)c3)cc2)c1 ZINC000003369372 552374695 /nfs/dbraw/zinc/37/46/95/552374695.db2.gz JWHNGPUJNGECDB-UHFFFAOYSA-N 0 0 532.596 2.217 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nc3sc4c(c3c(=O)n2CCc2ccccc2)CCC4)c(=O)n(C)c1=O ZINC000003373074 552375771 /nfs/dbraw/zinc/37/57/71/552375771.db2.gz INJSSAUBRGLTQC-UHFFFAOYSA-N 0 0 523.640 2.144 50 0 KEAARN CCN(C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000003377850 552376870 /nfs/dbraw/zinc/37/68/70/552376870.db2.gz OUMXRQGCXYXTBK-HXUWFJFHSA-N 0 0 550.655 2.029 50 0 KEAARN COCCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000003379254 552377649 /nfs/dbraw/zinc/37/76/49/552377649.db2.gz LEOVPVRXKBMCBJ-UHFFFAOYSA-N 0 0 508.647 2.361 50 0 KEAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000003379765 552377874 /nfs/dbraw/zinc/37/78/74/552377874.db2.gz YHTZXXJUOJHXBJ-GOSISDBHSA-N 0 0 528.583 2.074 50 0 KEAARN O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003381851 552378164 /nfs/dbraw/zinc/37/81/64/552378164.db2.gz UQEJOSBRCGNGQJ-UHFFFAOYSA-N 0 0 519.889 2.192 50 0 KEAARN CCn1c(=O)c(C(=O)CN(C)CC(=O)Nc2ccccc2Br)c(N)n(Cc2ccccc2)c1=O ZINC000003384775 552378709 /nfs/dbraw/zinc/37/87/09/552378709.db2.gz ZTWYUJGVJSOCOT-UHFFFAOYSA-N 0 0 528.407 2.176 50 0 KEAARN COCCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003385550 552378726 /nfs/dbraw/zinc/37/87/26/552378726.db2.gz HAVCHQPASUCMRN-UHFFFAOYSA-N 0 0 535.630 2.043 50 0 KEAARN COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003392881 552379591 /nfs/dbraw/zinc/37/95/91/552379591.db2.gz PRZQBMTWFTXAEJ-UHFFFAOYSA-N 0 0 582.708 2.126 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)c(=O)n(C)c1=O ZINC000003393657 552379577 /nfs/dbraw/zinc/37/95/77/552379577.db2.gz OVWAGUAEYHOISN-UHFFFAOYSA-N 0 0 501.927 2.133 50 0 KEAARN CS(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(Br)cc3Br)c2c1 ZINC000003395480 552379850 /nfs/dbraw/zinc/37/98/50/552379850.db2.gz SJVKMHXGVUEMGN-UHFFFAOYSA-N 0 0 504.160 2.427 50 0 KEAARN COc1cccc(-c2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n2C)c1 ZINC000003400389 552380486 /nfs/dbraw/zinc/38/04/86/552380486.db2.gz GMCDOZICWQMBFZ-UHFFFAOYSA-N 0 0 501.634 2.424 50 0 KEAARN CN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000003402125 552380848 /nfs/dbraw/zinc/38/08/48/552380848.db2.gz GNFAFBFGQBMBJV-GOSISDBHSA-N 0 0 500.602 2.460 50 0 KEAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000003404663 552380981 /nfs/dbraw/zinc/38/09/81/552380981.db2.gz GAJPTGKPHLTJJI-IBGZPJMESA-N 0 0 525.630 2.413 50 0 KEAARN Cn1c(N)c(C(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000003409478 552381890 /nfs/dbraw/zinc/38/18/90/552381890.db2.gz APCAKNIZFFKDHS-UHFFFAOYSA-N 0 0 517.493 2.303 50 0 KEAARN COCCN(C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003411634 552382186 /nfs/dbraw/zinc/38/21/86/552382186.db2.gz JZDQRMLMENJPIR-UHFFFAOYSA-N 0 0 564.668 2.305 50 0 KEAARN CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000003412495 552382386 /nfs/dbraw/zinc/38/23/86/552382386.db2.gz FEQUEEPZVQLQHE-RUDMXATFSA-N 0 0 507.615 2.373 50 0 KEAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000003412588 552382358 /nfs/dbraw/zinc/38/23/58/552382358.db2.gz HPDTXPFAKLMESJ-UHFFFAOYSA-N 0 0 500.982 2.324 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000003419749 552383401 /nfs/dbraw/zinc/38/34/01/552383401.db2.gz JJYRHTLASIDFER-UHFFFAOYSA-N 0 0 575.621 2.304 50 0 KEAARN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4ccc(S(N)(=O)=O)cc4s3)CC2)c1 ZINC000003422147 552383873 /nfs/dbraw/zinc/38/38/73/552383873.db2.gz QXTVMIAROOZZBA-UHFFFAOYSA-N 0 0 522.630 2.186 50 0 KEAARN O=C(CNS(=O)(=O)c1ccc(Br)cc1)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000003425931 552384457 /nfs/dbraw/zinc/38/44/57/552384457.db2.gz PWYGTUAWIVCOEO-UHFFFAOYSA-N 0 0 531.182 2.241 50 0 KEAARN O=C1C[C@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)N1c1ccc(F)cc1 ZINC000003426598 552384707 /nfs/dbraw/zinc/38/47/07/552384707.db2.gz WGBKPRMVIORCIT-SFHVURJKSA-N 0 0 518.548 2.321 50 0 KEAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(CC)[C@@H]4CCS(=O)(=O)C4)cc3C2=O)cc1 ZINC000003427229 552384762 /nfs/dbraw/zinc/38/47/62/552384762.db2.gz ICEWADUFRTZGMY-GOSISDBHSA-N 0 0 514.556 2.078 50 0 KEAARN COCCN(C(=O)CSc1nnc(-c2ccccc2C)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003431748 552385591 /nfs/dbraw/zinc/38/55/91/552385591.db2.gz SXUPJVIRANXFPA-UHFFFAOYSA-N 0 0 535.630 2.043 50 0 KEAARN CCCCN(C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003432893 552385831 /nfs/dbraw/zinc/38/58/31/552385831.db2.gz LZKPPNNXTHGZNR-QGZVFWFLSA-N 0 0 501.609 2.080 50 0 KEAARN CCCCN(C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000003432897 552385782 /nfs/dbraw/zinc/38/57/82/552385782.db2.gz LZKPPNNXTHGZNR-KRWDZBQOSA-N 0 0 501.609 2.080 50 0 KEAARN Cc1ccc(NC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000003433502 552386181 /nfs/dbraw/zinc/38/61/81/552386181.db2.gz KGHHPCAZEXOUSH-UHFFFAOYSA-N 0 0 505.549 2.025 50 0 KEAARN COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000003436787 552386680 /nfs/dbraw/zinc/38/66/80/552386680.db2.gz KBXKACSXTPDFAH-INIZCTEOSA-N 0 0 501.561 2.400 50 0 KEAARN COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000003436792 552386706 /nfs/dbraw/zinc/38/67/06/552386706.db2.gz KBXKACSXTPDFAH-MRXNPFEDSA-N 0 0 501.561 2.400 50 0 KEAARN Cc1c(NS(=O)(=O)c2ccc(C)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000003437870 552386874 /nfs/dbraw/zinc/38/68/74/552386874.db2.gz KINPNQASCYLUAV-UHFFFAOYSA-N 0 0 583.692 2.214 50 0 KEAARN CCCCn1c(N)c(N(CC)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(=O)[nH]c1=O ZINC000003441521 552387372 /nfs/dbraw/zinc/38/73/72/552387372.db2.gz MNWSGALYCKHBDW-UHFFFAOYSA-N 0 0 519.558 2.390 50 0 KEAARN COCCCN(C(=O)CNc1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003444076 552388024 /nfs/dbraw/zinc/38/80/24/552388024.db2.gz VPAZKPJFLLKIAP-UHFFFAOYSA-N 0 0 501.971 2.311 50 0 KEAARN COCCCN(C(=O)CNc1cccc(Br)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003447035 552388484 /nfs/dbraw/zinc/38/84/84/552388484.db2.gz JJDNHPLVUWNDAS-UHFFFAOYSA-N 0 0 516.396 2.411 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(Cl)cc2Br)c(N)n(Cc2ccccc2)c1=O ZINC000003447652 552388487 /nfs/dbraw/zinc/38/84/87/552388487.db2.gz CSEHZAXYCWGPHS-UHFFFAOYSA-N 0 0 594.802 2.034 50 0 KEAARN O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003448216 552388500 /nfs/dbraw/zinc/38/85/00/552388500.db2.gz CULIULOEIHVJNH-UHFFFAOYSA-N 0 0 513.663 2.125 50 0 KEAARN CCCCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000003450947 552389084 /nfs/dbraw/zinc/38/90/84/552389084.db2.gz SXMMPYLUYWPNPU-UHFFFAOYSA-N 0 0 534.646 2.373 50 0 KEAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000003458232 552389698 /nfs/dbraw/zinc/38/96/98/552389698.db2.gz IHTPGYJMOPXLOB-FYJFLYSWSA-N 0 0 527.024 2.049 50 0 KEAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000003458234 552389624 /nfs/dbraw/zinc/38/96/24/552389624.db2.gz IHTPGYJMOPXLOB-BTDICHCPSA-N 0 0 527.024 2.049 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003525524 552390630 /nfs/dbraw/zinc/39/06/30/552390630.db2.gz IPBNMGPFZGMRCI-UHFFFAOYSA-N 0 0 523.567 2.172 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003530054 552390978 /nfs/dbraw/zinc/39/09/78/552390978.db2.gz LEEFNOSHLGJRPX-UHFFFAOYSA-N 0 0 515.519 2.361 50 0 KEAARN COc1ccccc1N(CCOC(=O)CN1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21 ZINC000003583507 552391255 /nfs/dbraw/zinc/39/12/55/552391255.db2.gz OAMUOTCBRQSYJA-UHFFFAOYSA-N 0 0 519.535 2.490 50 0 KEAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)NN3S(=O)(=O)c4ccccc4S3(=O)=O)C2)cc1 ZINC000003583967 552391561 /nfs/dbraw/zinc/39/15/61/552391561.db2.gz XIFJOFAKQCUWGJ-QGZVFWFLSA-N 0 0 505.618 2.261 50 0 KEAARN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C(=O)NN3S(=O)(=O)c4ccccc4S3(=O)=O)C2)cc1 ZINC000003583971 552391541 /nfs/dbraw/zinc/39/15/41/552391541.db2.gz XIFJOFAKQCUWGJ-KRWDZBQOSA-N 0 0 505.618 2.261 50 0 KEAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C(N)=O)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621705 552394398 /nfs/dbraw/zinc/39/43/98/552394398.db2.gz HGMCSECTBUUUKE-ZEQRLZLVSA-N 0 0 511.575 2.355 50 0 KEAARN COc1ccc([C@H]2[C@H](C(=O)N3CCC(C(N)=O)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621707 552394413 /nfs/dbraw/zinc/39/44/13/552394413.db2.gz HGMCSECTBUUUKE-RPWUZVMVSA-N 0 0 511.575 2.355 50 0 KEAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(C(N)=O)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621709 552394430 /nfs/dbraw/zinc/39/44/30/552394430.db2.gz HGMCSECTBUUUKE-BJKOFHAPSA-N 0 0 511.575 2.355 50 0 KEAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCC(C(N)=O)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000003621712 552394422 /nfs/dbraw/zinc/39/44/22/552394422.db2.gz HGMCSECTBUUUKE-DNQXCXABSA-N 0 0 511.575 2.355 50 0 KEAARN NC(=O)c1nn(-c2ccccc2)nc1NC(=O)Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1 ZINC000003622921 552395028 /nfs/dbraw/zinc/39/50/28/552395028.db2.gz FTFASAFHXINBKB-UHFFFAOYSA-N 0 0 513.493 2.377 50 0 KEAARN COc1cccc([C@@H]2[NH2+][C@](CCSC)(C(=O)[O-])[C@H]3C(=O)N(c4ccc(NC(C)=O)cc4)C(=O)[C@@H]23)c1O ZINC000003626457 552395633 /nfs/dbraw/zinc/39/56/33/552395633.db2.gz VLWRXMRSGQKWDZ-PUFAWVJESA-N 0 0 513.572 2.386 50 0 KEAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccc(F)cc2)s1 ZINC000003632442 552397967 /nfs/dbraw/zinc/39/79/67/552397967.db2.gz FVAIVWXQXBJJTH-UHFFFAOYSA-N 0 0 590.688 2.477 50 0 KEAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4cc(C)on4)c(=O)c32)CC1 ZINC000003650296 552402043 /nfs/dbraw/zinc/40/20/43/552402043.db2.gz JRAJWPVWBFSVBF-UHFFFAOYSA-N 0 0 558.642 2.221 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000003650349 552402022 /nfs/dbraw/zinc/40/20/22/552402022.db2.gz HTRMEDKVNUPOKF-UHFFFAOYSA-N 0 0 504.590 2.351 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000003650359 552402013 /nfs/dbraw/zinc/40/20/13/552402013.db2.gz AOIUKZDAXGBATI-UHFFFAOYSA-N 0 0 533.651 2.429 50 0 KEAARN COc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)cc1OC ZINC000003650384 552402020 /nfs/dbraw/zinc/40/20/20/552402020.db2.gz YPTKWSYEKMYFPJ-UHFFFAOYSA-N 0 0 534.660 2.317 50 0 KEAARN COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5CCOCC5)c4c3=O)sc2c1 ZINC000003650417 552402027 /nfs/dbraw/zinc/40/20/27/552402027.db2.gz GTVVFGDJAXCRJK-UHFFFAOYSA-N 0 0 535.629 2.044 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1S(=O)(=O)N1CCOCC1 ZINC000003650423 552402047 /nfs/dbraw/zinc/40/20/47/552402047.db2.gz NLUMMJOUALOCCG-UHFFFAOYSA-N 0 0 516.523 2.445 50 0 KEAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCOCC4)c3c2=O)cc1Cl ZINC000003650432 552402015 /nfs/dbraw/zinc/40/20/15/552402015.db2.gz RZKPLOQVSAMORX-UHFFFAOYSA-N 0 0 512.997 2.088 50 0 KEAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O ZINC000003650442 552402017 /nfs/dbraw/zinc/40/20/17/552402017.db2.gz CQQGOZZTHZKMBA-UHFFFAOYSA-N 0 0 512.997 2.088 50 0 KEAARN COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCOCC4)c3c2=O)cc1Cl ZINC000003650448 552402181 /nfs/dbraw/zinc/40/21/81/552402181.db2.gz WBBMRMITLLMSAK-UHFFFAOYSA-N 0 0 543.023 2.097 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c2c1S(=O)(=O)N1CCOCC1 ZINC000003650450 552402256 /nfs/dbraw/zinc/40/22/56/552402256.db2.gz WVSJCENTVPUTSM-UHFFFAOYSA-N 0 0 516.523 2.445 50 0 KEAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O ZINC000003650521 552402234 /nfs/dbraw/zinc/40/22/34/552402234.db2.gz CDSIOIUPQPYYET-UHFFFAOYSA-N 0 0 527.024 2.396 50 0 KEAARN Cc1sc2ncn(CC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000003650637 552402435 /nfs/dbraw/zinc/40/24/35/552402435.db2.gz IWOAGMCLPJOLGZ-KRWDZBQOSA-N 0 0 532.644 2.143 50 0 KEAARN Cc1sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000003650639 552402432 /nfs/dbraw/zinc/40/24/32/552402432.db2.gz IWOAGMCLPJOLGZ-QGZVFWFLSA-N 0 0 532.644 2.143 50 0 KEAARN Nn1cnn2c(SCC(=O)Nc3nnc(SCC(=O)Nc4ccc(Cl)c(Cl)c4)s3)nnc12 ZINC000003668952 552410429 /nfs/dbraw/zinc/41/04/29/552410429.db2.gz UJDUBXVULHYDPH-UHFFFAOYSA-N 0 0 531.436 2.260 50 0 KEAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)c2ccccc21 ZINC000003767793 552415152 /nfs/dbraw/zinc/41/51/52/552415152.db2.gz JIDFDMHYHBCEKG-QJOMJCCJSA-N 0 0 520.615 2.470 50 0 KEAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1OC ZINC000003770604 552415878 /nfs/dbraw/zinc/41/58/78/552415878.db2.gz GLKZJSQDQYOMEL-VFJWVMJUSA-N 0 0 502.596 2.435 50 0 KEAARN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC ZINC000003770606 552415839 /nfs/dbraw/zinc/41/58/39/552415839.db2.gz GLKZJSQDQYOMEL-RKKARLDVSA-N 0 0 502.596 2.435 50 0 KEAARN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 ZINC000003809192 552418525 /nfs/dbraw/zinc/41/85/25/552418525.db2.gz YMARZQAQMVYCKC-OEMFJLHTSA-N 0 0 505.637 2.403 50 0 aggregator,world KEAARN CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C ZINC000003927469 552422482 /nfs/dbraw/zinc/42/24/82/552422482.db2.gz UZQBKCWYZBHBOW-YIPNQBBMSA-N 0 0 620.813 2.255 50 0 in-man KEAARN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1 ZINC000003955219 529860900 /nfs/dbraw/zinc/86/09/00/529860900.db2.gz CJBJHOAVZSMMDJ-HEXNFIEUSA-N 0 0 547.674 2.375 50 0 fda KEAARN CCOc1ccccc1-n1c(N)c2c(C)nnc-2nc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000003970627 552424232 /nfs/dbraw/zinc/42/42/32/552424232.db2.gz SNYOTHQJVLAEPP-UHFFFAOYSA-N 0 0 541.659 2.034 50 0 KEAARN CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000003992480 552425245 /nfs/dbraw/zinc/42/52/45/552425245.db2.gz BBAWEDCPNXPBQM-GDEBMMAJSA-N 0 0 679.863 2.446 50 0 world KEAARN CCOC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000004016484 552427590 /nfs/dbraw/zinc/42/75/90/552427590.db2.gz GAGZBZLMVJQLLZ-HYBUGGRVSA-N 0 0 628.679 2.138 50 0 KEAARN CCOC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000004016485 552427594 /nfs/dbraw/zinc/42/75/94/552427594.db2.gz GAGZBZLMVJQLLZ-YKSBVNFPSA-N 0 0 628.679 2.138 50 0 KEAARN CCOC(=O)[C@@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000004016486 552427641 /nfs/dbraw/zinc/42/76/41/552427641.db2.gz GAGZBZLMVJQLLZ-GBXCKJPGSA-N 0 0 628.679 2.138 50 0 KEAARN CCOC(=O)[C@H](Cc1ccc(OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000004016487 552427596 /nfs/dbraw/zinc/42/75/96/552427596.db2.gz GAGZBZLMVJQLLZ-RDPSFJRHSA-N 0 0 628.679 2.138 50 0 KEAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 ZINC000004018368 552429264 /nfs/dbraw/zinc/42/92/64/552429264.db2.gz QDXFDPNGVBPRHC-LOYHVIPDSA-N 0 0 680.890 2.313 50 0 KEAARN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCOCCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 ZINC000004018369 552429279 /nfs/dbraw/zinc/42/92/79/552429279.db2.gz QDXFDPNGVBPRHC-KYJUHHDHSA-N 0 0 680.890 2.313 50 0 KEAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCN(C(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 ZINC000004018372 552429267 /nfs/dbraw/zinc/42/92/67/552429267.db2.gz QSDRDNPBRVFEFS-ROJLCIKYSA-N 0 0 724.943 2.330 50 0 KEAARN CC(C)[C@H](C(=O)N1CCOCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018375 552429282 /nfs/dbraw/zinc/42/92/82/552429282.db2.gz YWZYNRWRRPTFIV-HNRBIFIRSA-N 0 0 632.714 2.332 50 0 KEAARN CC(C)[C@H](C(=O)N1CCOCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018376 552429312 /nfs/dbraw/zinc/42/93/12/552429312.db2.gz YWZYNRWRRPTFIV-VSGBNLITSA-N 0 0 632.714 2.332 50 0 KEAARN CC(C)[C@@H](C(=O)N1CCOCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018377 552429319 /nfs/dbraw/zinc/42/93/19/552429319.db2.gz YWZYNRWRRPTFIV-NSOVKSMOSA-N 0 0 632.714 2.332 50 0 KEAARN CC(C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018379 552429272 /nfs/dbraw/zinc/42/92/72/552429272.db2.gz DDPKKYGBOPCJOF-MEKGRNQZSA-N 0 0 720.820 2.365 50 0 KEAARN CC(C)[C@H](C(=O)N1CCOCCOCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018380 552429269 /nfs/dbraw/zinc/42/92/69/552429269.db2.gz DDPKKYGBOPCJOF-ROJLCIKYSA-N 0 0 720.820 2.365 50 0 KEAARN CC(C)[C@@H](C(=O)N1CCOCCOCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CCOCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000004018381 552429304 /nfs/dbraw/zinc/42/93/04/552429304.db2.gz DDPKKYGBOPCJOF-ACHIHNKUSA-N 0 0 720.820 2.365 50 0 KEAARN Cn1c(SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C ZINC000004019817 552429742 /nfs/dbraw/zinc/42/97/42/552429742.db2.gz HKZXRPVJGBMSAH-UHFFFAOYSA-N 0 0 614.475 2.199 50 0 biogenic KEAARN O=C(NN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1 ZINC000004065234 552432106 /nfs/dbraw/zinc/43/21/06/552432106.db2.gz VSSAPSWFVPREBW-UHFFFAOYSA-N 0 0 532.472 2.026 50 0 KEAARN O=C(NN1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1 ZINC000004065245 552432160 /nfs/dbraw/zinc/43/21/60/552432160.db2.gz INZVHZDGIDIMKR-UHFFFAOYSA-N 0 0 548.471 2.151 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O ZINC000004066726 552432637 /nfs/dbraw/zinc/43/26/37/552432637.db2.gz UDQCJOWXMPDCJZ-XFCANUNOSA-N 0 0 741.846 2.455 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O ZINC000004066728 552432679 /nfs/dbraw/zinc/43/26/79/552432679.db2.gz UDQCJOWXMPDCJZ-WIHCDAFUSA-N 0 0 741.846 2.455 50 0 KEAARN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000004091725 552435701 /nfs/dbraw/zinc/43/57/01/552435701.db2.gz KRYSUQDOIQABRV-NSOVKSMOSA-N 0 0 631.730 2.147 50 0 KEAARN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000004091728 552435695 /nfs/dbraw/zinc/43/56/95/552435695.db2.gz KRYSUQDOIQABRV-WUFINQPMSA-N 0 0 631.730 2.147 50 0 KEAARN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000004091730 552435645 /nfs/dbraw/zinc/43/56/45/552435645.db2.gz KRYSUQDOIQABRV-IZLXSDGUSA-N 0 0 631.730 2.147 50 0 KEAARN CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000004091732 552435652 /nfs/dbraw/zinc/43/56/52/552435652.db2.gz KRYSUQDOIQABRV-VSGBNLITSA-N 0 0 631.730 2.147 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000004091782 552435658 /nfs/dbraw/zinc/43/56/58/552435658.db2.gz PFBLKVNVZYAFHC-NHKHRBQYSA-N 0 0 661.756 2.249 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000004091787 552435630 /nfs/dbraw/zinc/43/56/30/552435630.db2.gz PFBLKVNVZYAFHC-ZGIBFIJWSA-N 0 0 661.756 2.249 50 0 KEAARN NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)N2CCCC2)n(-c2ccccc2)c3=O)CC1 ZINC000004175693 552444418 /nfs/dbraw/zinc/44/44/18/552444418.db2.gz VWUOSBZRXXWZCN-UHFFFAOYSA-N 0 0 519.627 2.438 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)CC1 ZINC000004177341 552445101 /nfs/dbraw/zinc/44/51/01/552445101.db2.gz MXMNNYIMAKPZJQ-UHFFFAOYSA-N 0 0 520.633 2.441 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c4ccccc4oc3C(N)=O)cc2)CC1 ZINC000004177346 552445063 /nfs/dbraw/zinc/44/50/63/552445063.db2.gz XCXDUDFHQKFBNL-UHFFFAOYSA-N 0 0 500.533 2.247 50 0 KEAARN CCOC(=O)CC(=O)CSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)n1-c1ccc(F)cc1 ZINC000004177709 552445362 /nfs/dbraw/zinc/44/53/62/552445362.db2.gz UEOJWJHJWFIOIP-UHFFFAOYSA-N 0 0 554.600 2.477 50 0 KEAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1 ZINC000004177744 552445383 /nfs/dbraw/zinc/44/53/83/552445383.db2.gz YSABFGJJUNTTEZ-HUUCEWRRSA-N 0 0 506.650 2.275 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C(C)C)C4)cc2)CC1 ZINC000004177804 552445646 /nfs/dbraw/zinc/44/56/46/552445646.db2.gz XZNIZCMGWNJDIL-UHFFFAOYSA-N 0 0 563.702 2.329 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000004177809 552445634 /nfs/dbraw/zinc/44/56/34/552445634.db2.gz NWFBISXWESOSOC-GASCZTMLSA-N 0 0 550.659 2.412 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2C(N)=O)C1 ZINC000004177812 552445595 /nfs/dbraw/zinc/44/55/95/552445595.db2.gz NWFBISXWESOSOC-HUUCEWRRSA-N 0 0 550.659 2.412 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000004177816 552445639 /nfs/dbraw/zinc/44/56/39/552445639.db2.gz NWFBISXWESOSOC-GJZGRUSLSA-N 0 0 550.659 2.412 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000004177829 552445895 /nfs/dbraw/zinc/44/58/95/552445895.db2.gz FTEWUMQUBFHKLT-UHFFFAOYSA-N 0 0 538.692 2.149 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(C(=O)OCC)C4)cc2)CC1 ZINC000004177832 552445906 /nfs/dbraw/zinc/44/59/06/552445906.db2.gz ZBCSZHFNDBEPKJ-UHFFFAOYSA-N 0 0 593.684 2.077 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2C(N)=O)C1 ZINC000004177845 552445902 /nfs/dbraw/zinc/44/59/02/552445902.db2.gz NCYUVMZWXFFWRG-UHFFFAOYSA-N 0 0 506.606 2.398 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC[C@@H]2CCCO2)CN3c2ccccc2)cc1 ZINC000004184811 552447134 /nfs/dbraw/zinc/44/71/34/552447134.db2.gz ZQIMANOGMRYDQN-QHCPKHFHSA-N 0 0 526.659 2.120 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC[C@H]2CCCO2)CN3c2ccccc2)cc1 ZINC000004184812 552447140 /nfs/dbraw/zinc/44/71/40/552447140.db2.gz ZQIMANOGMRYDQN-HSZRJFAPSA-N 0 0 526.659 2.120 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC[C@@H]2CCCO2)CN3c2ccccc2)c(OC)c1 ZINC000004187558 552447361 /nfs/dbraw/zinc/44/73/61/552447361.db2.gz ZMSJPMJYVSIRRC-QHCPKHFHSA-N 0 0 536.629 2.280 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC[C@H]2CCCO2)CN3c2ccccc2)c(OC)c1 ZINC000004187562 552447355 /nfs/dbraw/zinc/44/73/55/552447355.db2.gz ZMSJPMJYVSIRRC-HSZRJFAPSA-N 0 0 536.629 2.280 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCCOCCN(S(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1 ZINC000004256617 552452943 /nfs/dbraw/zinc/45/29/43/552452943.db2.gz HONQQHMURQJAOM-UHFFFAOYSA-N 0 0 526.677 2.048 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCCOCCOCCN(S(=O)(=O)c3ccc(C)cc3)CCOCC2)cc1 ZINC000004256618 552452948 /nfs/dbraw/zinc/45/29/48/552452948.db2.gz OFDIIQPNRBIGAN-UHFFFAOYSA-N 0 0 570.730 2.065 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCCOCCN(S(=O)(=O)c3ccc(C)cc3)CCOCCOCC2)cc1 ZINC000004258063 552453614 /nfs/dbraw/zinc/45/36/14/552453614.db2.gz STPBMUYYGGLOOD-UHFFFAOYSA-N 0 0 570.730 2.065 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000004258493 552453626 /nfs/dbraw/zinc/45/36/26/552453626.db2.gz FHAFYTMDIMBRQD-IEAFHPEVSA-N 0 0 592.525 2.255 50 0 biogenic KEAARN COC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000004424137 552460075 /nfs/dbraw/zinc/46/00/75/552460075.db2.gz BXNCIERBDJYIQT-PRDVQWLOSA-N 0 0 516.499 2.232 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000004509073 552462023 /nfs/dbraw/zinc/46/20/23/552462023.db2.gz RMKJDJWZVLSFOB-YOKWNPFVSA-N 0 0 506.536 2.452 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000004509076 552462162 /nfs/dbraw/zinc/46/21/62/552462162.db2.gz RMKJDJWZVLSFOB-NWKGEQBZSA-N 0 0 506.536 2.452 50 0 KEAARN C[C@H](C(=O)NCCCCCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000004551997 552466178 /nfs/dbraw/zinc/46/61/78/552466178.db2.gz UFFKXJPWXQBZPZ-QZTJIDSGSA-N 0 0 518.570 2.149 50 0 KEAARN C[C@@H](C(=O)NCCCCCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000004551998 552466146 /nfs/dbraw/zinc/46/61/46/552466146.db2.gz UFFKXJPWXQBZPZ-ROUUACIJSA-N 0 0 518.570 2.149 50 0 KEAARN c1cc2nc(c1)COCCOCCOCCOCCOCCOCc1cccc(n1)COCCOCCOCCOCCOCCOC2 ZINC000004558545 552467249 /nfs/dbraw/zinc/46/72/49/552467249.db2.gz RHSMCJZHFOGBQO-UHFFFAOYSA-N 0 0 682.808 2.390 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000004577322 552468743 /nfs/dbraw/zinc/46/87/43/552468743.db2.gz RJMQVHXXWWNHDB-UHFFFAOYSA-N 0 0 712.938 2.260 50 0 KEAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCN4CCN(c5ccccc5F)CC4)ccc3c2=O)cc1 ZINC000004766621 552480506 /nfs/dbraw/zinc/48/05/06/552480506.db2.gz VGFZGXYONMTGFO-UHFFFAOYSA-N 0 0 531.588 2.438 50 0 KEAARN COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2cc1OC ZINC000004766648 552480512 /nfs/dbraw/zinc/48/05/12/552480512.db2.gz MPKIOEDWMYNXJF-UHFFFAOYSA-N 0 0 506.481 2.465 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3cnc4ccccc4c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000004787442 552482408 /nfs/dbraw/zinc/48/24/08/552482408.db2.gz VTEMINXRPKTLHM-UHFFFAOYSA-N 0 0 576.664 2.254 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000004787451 552482456 /nfs/dbraw/zinc/48/24/56/552482456.db2.gz ZOSCBGHVPOQDOQ-UHFFFAOYSA-N 0 0 629.168 2.070 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccc(C)cc4)[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000004787469 552482422 /nfs/dbraw/zinc/48/24/22/552482422.db2.gz XSAFFWASHSNMBG-NRFANRHFSA-N 0 0 622.777 2.113 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccc(C)cc4)[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000004787472 552482392 /nfs/dbraw/zinc/48/23/92/552482392.db2.gz XSAFFWASHSNMBG-OAQYLSRUSA-N 0 0 622.777 2.113 50 0 KEAARN CCN(CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1cccc(C)c1 ZINC000004787474 552482431 /nfs/dbraw/zinc/48/24/31/552482431.db2.gz KFDXAJGXJJFSDK-UHFFFAOYSA-N 0 0 624.793 2.409 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000004787478 552482458 /nfs/dbraw/zinc/48/24/58/552482458.db2.gz IDRYXFCFJKSVRZ-NRFANRHFSA-N 0 0 622.777 2.113 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000004787481 552482424 /nfs/dbraw/zinc/48/24/24/552482424.db2.gz IDRYXFCFJKSVRZ-OAQYLSRUSA-N 0 0 622.777 2.113 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCc1ccco1 ZINC000004790082 552483177 /nfs/dbraw/zinc/48/31/77/552483177.db2.gz LGAZRMRMUYAZRG-UHFFFAOYSA-N 0 0 529.597 2.202 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)N1CCc2ccccc2C1 ZINC000004790097 552483375 /nfs/dbraw/zinc/48/33/75/552483375.db2.gz NUUSRIWTROWPMO-UHFFFAOYSA-N 0 0 551.647 2.487 50 0 KEAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)N3CCN(c4ccccc4)CC3)c2=O)cc1 ZINC000004790160 552483379 /nfs/dbraw/zinc/48/33/79/552483379.db2.gz ZRCOJYKLNJNNKO-UHFFFAOYSA-N 0 0 569.662 2.327 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCCc1ccccc1 ZINC000004790164 552483459 /nfs/dbraw/zinc/48/34/59/552483459.db2.gz CTQFDTPSHFDJQO-UHFFFAOYSA-N 0 0 539.636 2.261 50 0 KEAARN O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000005062931 552493025 /nfs/dbraw/zinc/49/30/25/552493025.db2.gz ITJOKAUHSSEGAG-DEOSSOPVSA-N 0 0 503.555 2.500 50 0 KEAARN NC(=O)COc1c(I)cc(I)cc1I ZINC000005105588 552493703 /nfs/dbraw/zinc/49/37/03/552493703.db2.gz KRUNHSSTHJNRCI-UHFFFAOYSA-N 0 0 528.853 2.365 50 0 KEAARN CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 ZINC000005295284 552496584 /nfs/dbraw/zinc/49/65/84/552496584.db2.gz AUAFCWIOKBPIDD-DZGCQCFKSA-N 0 0 541.424 2.060 50 0 KEAARN CCOC(=O)[C@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000005295285 552496557 /nfs/dbraw/zinc/49/65/57/552496557.db2.gz AUAFCWIOKBPIDD-HIFRSBDPSA-N 0 0 541.424 2.060 50 0 KEAARN CCOC(=O)[C@@H](CC)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000005295290 552496577 /nfs/dbraw/zinc/49/65/77/552496577.db2.gz AUAFCWIOKBPIDD-UKRRQHHQSA-N 0 0 541.424 2.060 50 0 KEAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 ZINC000005295294 552496532 /nfs/dbraw/zinc/49/65/32/552496532.db2.gz IACCSAQYQZKVEH-HNNXBMFYSA-N 0 0 555.451 2.451 50 0 KEAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000005295297 552496468 /nfs/dbraw/zinc/49/64/68/552496468.db2.gz IACCSAQYQZKVEH-OAHLLOKOSA-N 0 0 555.451 2.451 50 0 KEAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000005297862 552496809 /nfs/dbraw/zinc/49/68/09/552496809.db2.gz WGBJLCYZAYHIAK-HNNXBMFYSA-N 0 0 511.000 2.342 50 0 KEAARN CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000005297865 552496806 /nfs/dbraw/zinc/49/68/06/552496806.db2.gz WGBJLCYZAYHIAK-OAHLLOKOSA-N 0 0 511.000 2.342 50 0 KEAARN CCOC(=O)CNC(=O)CCCCSc1nc2[nH]cnc2c(SCCCCC(=O)NCC(=O)OCC)n1 ZINC000005349745 552497991 /nfs/dbraw/zinc/49/79/91/552497991.db2.gz AJTRRBLCOBMKLS-UHFFFAOYSA-N 0 0 554.695 2.236 50 0 KEAARN C/C(Cl)=C/Cn1c(SCCSc2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000006013702 552518666 /nfs/dbraw/zinc/51/86/66/552518666.db2.gz PDNUDELLEPWWEV-CBIKUMSCSA-N 0 0 599.526 2.330 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006073831 552521735 /nfs/dbraw/zinc/52/17/35/552521735.db2.gz AOTPYNQTXITLLK-UHFFFAOYSA-N 0 0 510.638 2.421 50 0 KEAARN CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2C=CC3[C@H]3C(=O)N(c4cccc(OC(C)=O)c4)C(=O)[C@@H]32)c1 ZINC000006074032 552521934 /nfs/dbraw/zinc/52/19/34/552521934.db2.gz VEKHGKTVBZNYIP-JWDUHDAQSA-N 0 0 514.490 2.264 50 0 KEAARN CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2C=CC3[C@@H]3C(=O)N(c4cccc(OC(C)=O)c4)C(=O)[C@H]32)c1 ZINC000006074033 552521846 /nfs/dbraw/zinc/52/18/46/552521846.db2.gz VEKHGKTVBZNYIP-SATBIADZSA-N 0 0 514.490 2.264 50 0 KEAARN O=C(COC(=O)Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006094774 552534220 /nfs/dbraw/zinc/53/42/20/552534220.db2.gz RXIBCPPLJYJGLV-UHFFFAOYSA-N 0 0 526.493 2.258 50 0 KEAARN Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H]3CCOC3=O)c2)c(=O)n(-c2ccccc2)n1C ZINC000006132043 552535211 /nfs/dbraw/zinc/53/52/11/552535211.db2.gz MNLOJYFFYXOKBW-GOSISDBHSA-N 0 0 505.936 2.411 50 0 KEAARN Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H]3CCOC3=O)c2)c(=O)n(-c2ccccc2)n1C ZINC000006132045 552535239 /nfs/dbraw/zinc/53/52/39/552535239.db2.gz MNLOJYFFYXOKBW-SFHVURJKSA-N 0 0 505.936 2.411 50 0 KEAARN COc1ccc(C(=O)NCc2cn3cc(Br)ccc3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000006134382 552537059 /nfs/dbraw/zinc/53/70/59/552537059.db2.gz GVZANTRLVDEAHT-UHFFFAOYSA-N 0 0 509.382 2.056 50 0 KEAARN CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000006135075 552538988 /nfs/dbraw/zinc/53/89/88/552538988.db2.gz XNJISPIGUVSARX-VABKMULXSA-N 0 0 522.602 2.058 50 0 KEAARN CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000006135089 552539034 /nfs/dbraw/zinc/53/90/34/552539034.db2.gz XNJISPIGUVSARX-VJBWXMMDSA-N 0 0 522.602 2.058 50 0 KEAARN Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006144532 552546630 /nfs/dbraw/zinc/54/66/30/552546630.db2.gz SVZLCNWXVYKVOS-KRWDZBQOSA-N 0 0 563.032 2.343 50 0 KEAARN Cc1c(NS(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)N3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000006144533 552546698 /nfs/dbraw/zinc/54/66/98/552546698.db2.gz SVZLCNWXVYKVOS-QGZVFWFLSA-N 0 0 563.032 2.343 50 0 KEAARN COc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)CC2)ccc1Cl ZINC000006145942 552547687 /nfs/dbraw/zinc/54/76/87/552547687.db2.gz QCZWBRNKNZJYDD-UHFFFAOYSA-N 0 0 538.475 2.295 50 0 KEAARN O=C(C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000006148602 552549455 /nfs/dbraw/zinc/54/94/55/552549455.db2.gz BBXAJBDNBDEGRS-HZPDHXFCSA-N 0 0 502.545 2.247 50 0 KEAARN CCCCn1c2nc(COC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)n(CCC)c2c(=O)[nH]c1=O ZINC000006153588 552552126 /nfs/dbraw/zinc/55/21/26/552552126.db2.gz LMEPHBVUCMMGOU-UHFFFAOYSA-N 0 0 526.015 2.114 50 0 KEAARN O=S(=O)(NCc1ccccn1)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)NCc3ccccn3)c2)c1 ZINC000006180938 552561036 /nfs/dbraw/zinc/56/10/36/552561036.db2.gz IGLNIXQFODZEMN-UHFFFAOYSA-N 0 0 558.663 2.266 50 0 KEAARN COc1ccc(CCNC(=O)c2cnc3ccc(S(=O)(=O)N4CCC5(CC4)OCCO5)cc3c2O)cc1OC ZINC000006181020 552561344 /nfs/dbraw/zinc/56/13/44/552561344.db2.gz SJZPEWZPVAVKAO-UHFFFAOYSA-N 0 0 557.625 2.045 50 0 KEAARN COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1 ZINC000006181279 552561579 /nfs/dbraw/zinc/56/15/79/552561579.db2.gz FQZBYKMXRZQQIY-UHFFFAOYSA-N 0 0 535.022 2.077 50 0 KEAARN COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1 ZINC000006181291 552561682 /nfs/dbraw/zinc/56/16/82/552561682.db2.gz IVFZXVQQQCNGLO-UHFFFAOYSA-N 0 0 549.049 2.467 50 0 KEAARN CN(C)C[C@@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@H](O)CN(C)C)c(Cl)c2)cc1Cl ZINC000006182950 552562571 /nfs/dbraw/zinc/56/25/71/552562571.db2.gz IODCNPPFMILXEB-HZPDHXFCSA-N 0 0 521.463 2.429 50 0 KEAARN CN(C)C[C@H](O)COc1ccc(S(=O)(=O)c2ccc(OC[C@@H](O)CN(C)C)c(Cl)c2)cc1Cl ZINC000006182951 552562524 /nfs/dbraw/zinc/56/25/24/552562524.db2.gz IODCNPPFMILXEB-HOTGVXAUSA-N 0 0 521.463 2.429 50 0 KEAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@](=O)C3)cc1 ZINC000006184169 552562986 /nfs/dbraw/zinc/56/29/86/552562986.db2.gz KQAJTUBXYFFNSW-MGBGTMOVSA-N 0 0 500.602 2.216 50 0 KEAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)C[S@@](=O)C3)cc1 ZINC000006208145 552570496 /nfs/dbraw/zinc/57/04/96/552570496.db2.gz KQAJTUBXYFFNSW-XIFFEERXSA-N 0 0 500.602 2.216 50 0 KEAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006208148 552570456 /nfs/dbraw/zinc/57/04/56/552570456.db2.gz STDXKLUKYPFFDH-MGBGTMOVSA-N 0 0 504.565 2.047 50 0 KEAARN O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006208149 552570740 /nfs/dbraw/zinc/57/07/40/552570740.db2.gz STDXKLUKYPFFDH-XIFFEERXSA-N 0 0 504.565 2.047 50 0 KEAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@](=O)C2 ZINC000006208155 552570692 /nfs/dbraw/zinc/57/06/92/552570692.db2.gz NWHAUWJAPNGMSG-MGBGTMOVSA-N 0 0 500.602 2.216 50 0 KEAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C[S@@](=O)C2 ZINC000006208156 193871841 /nfs/dbraw/zinc/87/18/41/193871841.db2.gz NWHAUWJAPNGMSG-XIFFEERXSA-N 0 0 500.602 2.216 50 0 KEAARN CC1(C)CN=C(N2CCN(C[C@@H](O)COc3ccc(OC[C@@H](O)CN4CCN(C5=NCC(C)(C)S5)CC4)cc3)CC2)S1 ZINC000006232504 193873617 /nfs/dbraw/zinc/87/36/17/193873617.db2.gz KPTLJHVHNWSGKQ-PSWAGMNNSA-N 0 0 620.886 2.164 50 0 KEAARN CC1(C)CN=C(N2CCN(C[C@H](O)COc3ccc(OC[C@@H](O)CN4CCN(C5=NCC(C)(C)S5)CC4)cc3)CC2)S1 ZINC000006232505 552571855 /nfs/dbraw/zinc/57/18/55/552571855.db2.gz KPTLJHVHNWSGKQ-ZEQRLZLVSA-N 0 0 620.886 2.164 50 0 KEAARN CC1(C)CN=C(N2CCN(C[C@@H](O)COc3ccc(OC[C@H](O)CN4CCN(C5=NCC(C)(C)S5)CC4)cc3)CC2)S1 ZINC000006232506 552571865 /nfs/dbraw/zinc/57/18/65/552571865.db2.gz KPTLJHVHNWSGKQ-DNQXCXABSA-N 0 0 620.886 2.164 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006237784 193873948 /nfs/dbraw/zinc/87/39/48/193873948.db2.gz BZZUZSIWCPGWLK-RQLGBQGVSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000006237817 552572260 /nfs/dbraw/zinc/57/22/60/552572260.db2.gz ADNUJAJXWQWULX-XOBACGFXSA-N 0 0 536.562 2.267 50 0 KEAARN CCOC(=O)C1=c2/c(=C/c3cccnc3)c(N)c(S(=O)(=O)c3ccccc3)n2C(=O)[C@@H](c2cccnc2)S1 ZINC000006244862 552573526 /nfs/dbraw/zinc/57/35/26/552573526.db2.gz OLAMQQJXJKDOAD-POEBIKTISA-N 0 0 546.630 2.322 50 0 KEAARN CCOC(=O)C1=c2/c(=C/c3cccnc3)c(N)c(S(=O)(=O)c3ccccc3)n2C(=O)[C@H](c2cccnc2)S1 ZINC000006244864 552573521 /nfs/dbraw/zinc/57/35/21/552573521.db2.gz OLAMQQJXJKDOAD-YSSBIZNGSA-N 0 0 546.630 2.322 50 0 KEAARN Cc1nnc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000006296611 552579088 /nfs/dbraw/zinc/57/90/88/552579088.db2.gz SIECRRZSCARLCL-UHFFFAOYSA-N 0 0 576.502 2.397 50 0 KEAARN COC(CNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1O)OC ZINC000006296743 552579373 /nfs/dbraw/zinc/57/93/73/552579373.db2.gz NGQODBZOTHDPRU-UHFFFAOYSA-N 0 0 524.393 2.464 50 0 KEAARN CCOC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@H](C)C[C@H](C)C(=O)OCC)CCOCC1 ZINC000006547537 552600738 /nfs/dbraw/zinc/60/07/38/552600738.db2.gz UAGMDKBSYWLEFF-ZDNVTZCJSA-N 0 0 514.660 2.141 50 0 KEAARN CCOC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@@H](C)C[C@H](C)C(=O)OCC)CCOCC1 ZINC000006547543 552600732 /nfs/dbraw/zinc/60/07/32/552600732.db2.gz UAGMDKBSYWLEFF-MYGLTJDJSA-N 0 0 514.660 2.141 50 0 KEAARN CCOC(=O)[C@H](C)C[C@@H](C)C(=O)N1CCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 ZINC000006547717 552600680 /nfs/dbraw/zinc/60/06/80/552600680.db2.gz UAGMDKBSYWLEFF-CIAFKFPVSA-N 0 0 514.660 2.141 50 0 KEAARN CCOC(=O)[C@H](C)C[C@H](C)C(=O)N1CCOCCN(C(=O)[C@@H](C)C[C@@H](C)C(=O)OCC)CCOCC1 ZINC000006547722 552600674 /nfs/dbraw/zinc/60/06/74/552600674.db2.gz UAGMDKBSYWLEFF-FNAHDJPLSA-N 0 0 514.660 2.141 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000006821403 552973079 /nfs/dbraw/zinc/97/30/79/552973079.db2.gz ZDQWBWOFDJWWJQ-CKLTXHEASA-N 0 0 522.602 2.058 50 0 KEAARN CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O ZINC000008214527 552984497 /nfs/dbraw/zinc/98/44/97/552984497.db2.gz XQCGNURMLWFQJR-ZNDDOCHDSA-N 0 0 548.673 2.433 50 0 biogenic,in-vitro KEAARN COc1cc(CC(=O)N2CCOCC2)c(Cc2cc(OC)c(OC)cc2CC(=O)N2CCOCC2)cc1OC ZINC000008386839 552992889 /nfs/dbraw/zinc/99/28/89/552992889.db2.gz DAANDEOIAPHYQV-UHFFFAOYSA-N 0 0 542.629 2.114 50 0 KEAARN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000008397539 552996873 /nfs/dbraw/zinc/99/68/73/552996873.db2.gz CCYKAFXFMLGKTR-LGHURLGISA-N 0 0 530.533 2.364 50 0 KEAARN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000008397541 552996888 /nfs/dbraw/zinc/99/68/88/552996888.db2.gz CCYKAFXFMLGKTR-AVIWZCBMSA-N 0 0 530.533 2.364 50 0 KEAARN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12 ZINC000008397543 552996878 /nfs/dbraw/zinc/99/68/78/552996878.db2.gz CCYKAFXFMLGKTR-XMUSOGBUSA-N 0 0 530.533 2.364 50 0 KEAARN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3C1[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]12 ZINC000008397545 552996868 /nfs/dbraw/zinc/99/68/68/552996868.db2.gz CCYKAFXFMLGKTR-LZLUBVMQSA-N 0 0 530.533 2.364 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000008399800 553002021 /nfs/dbraw/zinc/00/20/21/553002021.db2.gz SSVTYXHAQSYDSS-UQTDQPHJSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000008399803 553002067 /nfs/dbraw/zinc/00/20/67/553002067.db2.gz SSVTYXHAQSYDSS-YHHBSCGTSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008399806 553002033 /nfs/dbraw/zinc/00/20/33/553002033.db2.gz PQKCSZJAFMCFBW-UQTDQPHJSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008399808 553002084 /nfs/dbraw/zinc/00/20/84/553002084.db2.gz PQKCSZJAFMCFBW-YHHBSCGTSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000008399815 553002000 /nfs/dbraw/zinc/00/20/00/553002000.db2.gz SYJURCORJQPLMF-MWKGPOOMSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000008399819 553002025 /nfs/dbraw/zinc/00/20/25/553002025.db2.gz SYJURCORJQPLMF-VGBYGFDOSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000008399822 553002399 /nfs/dbraw/zinc/00/23/99/553002399.db2.gz XBHXKOIZLLIIKT-MWKGPOOMSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000008399824 553002282 /nfs/dbraw/zinc/00/22/82/553002282.db2.gz XBHXKOIZLLIIKT-VGBYGFDOSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008399830 553002356 /nfs/dbraw/zinc/00/23/56/553002356.db2.gz DTBCDNZRUGLABZ-MWKGPOOMSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008399834 553002341 /nfs/dbraw/zinc/00/23/41/553002341.db2.gz DTBCDNZRUGLABZ-VGBYGFDOSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008399838 553002273 /nfs/dbraw/zinc/00/22/73/553002273.db2.gz MLYBGHPZIBZTNA-UQTDQPHJSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008399842 553002361 /nfs/dbraw/zinc/00/23/61/553002361.db2.gz MLYBGHPZIBZTNA-YHHBSCGTSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008399879 553002337 /nfs/dbraw/zinc/00/23/37/553002337.db2.gz LVMHPRIXWLGHEH-UQTDQPHJSA-N 0 0 582.679 2.169 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008399883 553002318 /nfs/dbraw/zinc/00/23/18/553002318.db2.gz LVMHPRIXWLGHEH-YHHBSCGTSA-N 0 0 582.679 2.169 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000008401167 553005988 /nfs/dbraw/zinc/00/59/88/553005988.db2.gz YNJBFRQVLBEXKL-UXSGUKRJSA-N 0 0 699.790 2.457 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000008401172 553006002 /nfs/dbraw/zinc/00/60/02/553006002.db2.gz YNJBFRQVLBEXKL-VFUPINBGSA-N 0 0 699.790 2.457 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008407006 553007676 /nfs/dbraw/zinc/00/76/76/553007676.db2.gz KGPGRIRIXKHZJN-KXEXVWEYSA-N 0 0 729.816 2.466 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008407011 553007668 /nfs/dbraw/zinc/00/76/68/553007668.db2.gz KGPGRIRIXKHZJN-YKWODGTOSA-N 0 0 729.816 2.466 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008417137 553012708 /nfs/dbraw/zinc/01/27/08/553012708.db2.gz KVKPMJCOWPEUBL-FFQWJZDTSA-N 0 0 562.597 2.499 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008417141 553012704 /nfs/dbraw/zinc/01/27/04/553012704.db2.gz KVKPMJCOWPEUBL-BYQOKHBMSA-N 0 0 562.597 2.499 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008417145 553012712 /nfs/dbraw/zinc/01/27/12/553012712.db2.gz KVKPMJCOWPEUBL-CFBSLSOZSA-N 0 0 562.597 2.499 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008417148 553012725 /nfs/dbraw/zinc/01/27/25/553012725.db2.gz KVKPMJCOWPEUBL-METNYHJSSA-N 0 0 562.597 2.499 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@H](C)O1 ZINC000008425087 553014721 /nfs/dbraw/zinc/01/47/21/553014721.db2.gz DHBIPMQGIAFGHM-XLAORIBOSA-N 0 0 534.656 2.494 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1 ZINC000008425088 553014670 /nfs/dbraw/zinc/01/46/70/553014670.db2.gz DHBIPMQGIAFGHM-TVFCKZIOSA-N 0 0 534.656 2.494 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000008425834 553016546 /nfs/dbraw/zinc/01/65/46/553016546.db2.gz HEVLKCFPBZRKFW-PMPAQKPWSA-N 0 0 536.562 2.461 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000008425835 553016552 /nfs/dbraw/zinc/01/65/52/553016552.db2.gz HEVLKCFPBZRKFW-SPVXFMEISA-N 0 0 536.562 2.461 50 0 KEAARN COc1ccc(NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000008429861 553020617 /nfs/dbraw/zinc/02/06/17/553020617.db2.gz SOAYYDUFICWSIT-CQJMVLFOSA-N 0 0 588.566 2.008 50 0 KEAARN COc1ccc(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000008429862 553020619 /nfs/dbraw/zinc/02/06/19/553020619.db2.gz SOAYYDUFICWSIT-QYOOZWMWSA-N 0 0 588.566 2.008 50 0 KEAARN COc1ccc(NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000008429864 553020616 /nfs/dbraw/zinc/02/06/16/553020616.db2.gz SOAYYDUFICWSIT-XPGKHFPBSA-N 0 0 588.566 2.008 50 0 KEAARN CC(=O)O[C@H](C(=O)NC1CCCCCC1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCCC1 ZINC000008429873 553020589 /nfs/dbraw/zinc/02/05/89/553020589.db2.gz XQZLNYADHFMINB-CQJMVLFOSA-N 0 0 568.664 2.391 50 0 KEAARN CC(=O)O[C@@H]([C@H](OC(C)=O)C(=O)NC1CCCCCC1)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCCC1 ZINC000008429874 553020601 /nfs/dbraw/zinc/02/06/01/553020601.db2.gz XQZLNYADHFMINB-QYOOZWMWSA-N 0 0 568.664 2.391 50 0 KEAARN CC(=O)O[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCCC1)[C@H](OC(C)=O)C(=O)NC1CCCCCC1 ZINC000008429876 553020606 /nfs/dbraw/zinc/02/06/06/553020606.db2.gz XQZLNYADHFMINB-XPGKHFPBSA-N 0 0 568.664 2.391 50 0 KEAARN CC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 ZINC000008429877 553020595 /nfs/dbraw/zinc/02/05/95/553020595.db2.gz HYVFXXNGZULTPQ-ZJZGAYNASA-N 0 0 564.494 2.269 50 0 KEAARN CC(=O)O[C@@H]([C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 ZINC000008429878 553020608 /nfs/dbraw/zinc/02/06/08/553020608.db2.gz HYVFXXNGZULTPQ-KIHHCIJBSA-N 0 0 564.494 2.269 50 0 KEAARN CC(=O)O[C@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 ZINC000008429880 553020600 /nfs/dbraw/zinc/02/06/00/553020600.db2.gz HYVFXXNGZULTPQ-LWSSLDFYSA-N 0 0 564.494 2.269 50 0 KEAARN COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008431874 553024414 /nfs/dbraw/zinc/02/44/14/553024414.db2.gz LBINJDLQVHABOX-VOVYINIXSA-N 0 0 587.578 2.087 50 0 KEAARN COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008431875 553024368 /nfs/dbraw/zinc/02/43/68/553024368.db2.gz LBINJDLQVHABOX-HSGWZQNQSA-N 0 0 587.578 2.087 50 0 KEAARN COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008431877 553024400 /nfs/dbraw/zinc/02/44/00/553024400.db2.gz LBINJDLQVHABOX-DMYSPCIHSA-N 0 0 587.578 2.087 50 0 KEAARN COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008431879 553024412 /nfs/dbraw/zinc/02/44/12/553024412.db2.gz LBINJDLQVHABOX-WNNHWGDASA-N 0 0 587.578 2.087 50 0 KEAARN COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000008433157 553028300 /nfs/dbraw/zinc/02/83/00/553028300.db2.gz XUCXOYPNFWBTRL-GOSISDBHSA-N 0 0 558.634 2.161 50 0 KEAARN COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000008433158 553028280 /nfs/dbraw/zinc/02/82/80/553028280.db2.gz XUCXOYPNFWBTRL-SFHVURJKSA-N 0 0 558.634 2.161 50 0 KEAARN Cc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008440396 553037413 /nfs/dbraw/zinc/03/74/13/553037413.db2.gz OUMMFFJFTFIGQA-XMMPIXPASA-N 0 0 513.641 2.375 50 0 KEAARN COc1ccccc1CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008440397 553037419 /nfs/dbraw/zinc/03/74/19/553037419.db2.gz UWYHCGYFIGFCPS-QHCPKHFHSA-N 0 0 529.640 2.075 50 0 KEAARN COc1ccccc1CNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008440399 553037496 /nfs/dbraw/zinc/03/74/96/553037496.db2.gz UWYHCGYFIGFCPS-HSZRJFAPSA-N 0 0 529.640 2.075 50 0 KEAARN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000008442153 553042887 /nfs/dbraw/zinc/04/28/87/553042887.db2.gz DMZMVVYIAZDLMZ-QJOMJCCJSA-N 0 0 573.635 2.116 50 0 KEAARN O=C(NCCN1CCN(C(=O)c2cccc(I)c2)CC1)C(=O)Nc1ccc(I)cc1 ZINC000008442424 553043702 /nfs/dbraw/zinc/04/37/02/553043702.db2.gz RLIMDBSMRKUNGX-UHFFFAOYSA-N 0 0 632.240 2.409 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000008444609 553051056 /nfs/dbraw/zinc/05/10/56/553051056.db2.gz PXIJZJVEVQATSG-GSOQPGDSSA-N 0 0 506.536 2.298 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008444610 553051040 /nfs/dbraw/zinc/05/10/40/553051040.db2.gz PXIJZJVEVQATSG-YOURIZNBSA-N 0 0 506.536 2.298 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008445313 553053889 /nfs/dbraw/zinc/05/38/89/553053889.db2.gz QOQUGXZAJWKAFH-INJUALFYSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008445315 553053865 /nfs/dbraw/zinc/05/38/65/553053865.db2.gz QOQUGXZAJWKAFH-VOZFUJEASA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000008445325 553053896 /nfs/dbraw/zinc/05/38/96/553053896.db2.gz XAGCJEMXPIBHOH-QFXGEWDLSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000008445326 553053874 /nfs/dbraw/zinc/05/38/74/553053874.db2.gz XAGCJEMXPIBHOH-FIWMFUAISA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1F ZINC000008448672 553056259 /nfs/dbraw/zinc/05/62/59/553056259.db2.gz DQZNEQWVJYJMBH-BIRYMOPTSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=c2s/c(=C/c3ccccc3F)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1F ZINC000008448673 553056279 /nfs/dbraw/zinc/05/62/79/553056279.db2.gz DQZNEQWVJYJMBH-HJDVLLJCSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000008451482 553061284 /nfs/dbraw/zinc/06/12/84/553061284.db2.gz KRJPQFMYVYQMBR-INJUALFYSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000008451483 553061249 /nfs/dbraw/zinc/06/12/49/553061249.db2.gz KRJPQFMYVYQMBR-VOZFUJEASA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000008451542 553061491 /nfs/dbraw/zinc/06/14/91/553061491.db2.gz NQCCKRSFHAZCBZ-QFXGEWDLSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000008451543 553061537 /nfs/dbraw/zinc/06/15/37/553061537.db2.gz NQCCKRSFHAZCBZ-FIWMFUAISA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008451570 553061528 /nfs/dbraw/zinc/06/15/28/553061528.db2.gz AIPIFVGMKVEDEF-INJUALFYSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008451572 553061520 /nfs/dbraw/zinc/06/15/20/553061520.db2.gz AIPIFVGMKVEDEF-VOZFUJEASA-N 0 0 539.610 2.245 50 0 KEAARN COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1OC ZINC000008451932 553062229 /nfs/dbraw/zinc/06/22/29/553062229.db2.gz GBUHYQTWKIKMNY-UHFFFAOYSA-N 0 0 533.423 2.287 50 0 KEAARN CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccc(OCC(=O)N4CCOCC4)c3)c(=O)n21 ZINC000008452790 553064468 /nfs/dbraw/zinc/06/44/68/553064468.db2.gz FRBSHNJVMPCOLQ-QEYQTOMISA-N 0 0 577.659 2.045 50 0 KEAARN CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2s/c(=C/c3cccc(OCC(=O)N4CCOCC4)c3)c(=O)n21 ZINC000008452792 553064485 /nfs/dbraw/zinc/06/44/85/553064485.db2.gz FRBSHNJVMPCOLQ-OXIKZWMZSA-N 0 0 577.659 2.045 50 0 KEAARN COC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000008454146 553067853 /nfs/dbraw/zinc/06/78/53/553067853.db2.gz RKRBIZGZCWMCFF-HSZRJFAPSA-N 0 0 543.623 2.176 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000008454198 553067821 /nfs/dbraw/zinc/06/78/21/553067821.db2.gz IBCPCVZHIQCZTC-LYRGBEMXSA-N 0 0 548.621 2.006 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000008454199 553067795 /nfs/dbraw/zinc/06/77/95/553067795.db2.gz IBCPCVZHIQCZTC-JGTYQCAFSA-N 0 0 548.621 2.006 50 0 KEAARN COc1ccc(CCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000008454215 553068124 /nfs/dbraw/zinc/06/81/24/553068124.db2.gz ZNCVSSZMMPZAST-VWLOTQADSA-N 0 0 543.667 2.118 50 0 KEAARN O=C(Cn1cc(Br)c(=O)n(CC(=O)Nc2ccc(Br)cn2)c1=O)Nc1ccc(Br)cn1 ZINC000008455771 553073414 /nfs/dbraw/zinc/07/34/14/553073414.db2.gz OZOXMNBOOWFCLC-UHFFFAOYSA-N 0 0 617.052 2.365 50 0 KEAARN Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)n[nH]1 ZINC000008556280 553077711 /nfs/dbraw/zinc/07/77/11/553077711.db2.gz COMMZEINBDHFMK-UHFFFAOYSA-N 0 0 564.580 2.323 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C)C3)cc1 ZINC000008583056 553078536 /nfs/dbraw/zinc/07/85/36/553078536.db2.gz SNKKSPCLEOYEEE-UHFFFAOYSA-N 0 0 525.649 2.058 50 0 KEAARN COc1ccc(Br)cc1CNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583424 553079548 /nfs/dbraw/zinc/07/95/48/553079548.db2.gz WWZRWIISFAVEKO-UHFFFAOYSA-N 0 0 570.487 2.234 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3cccc(C)c3)[C@@H](C)C1)C(=O)CO2 ZINC000008583502 553079833 /nfs/dbraw/zinc/07/98/33/553079833.db2.gz HKGNXXNZTRYUHC-FQEVSTJZSA-N 0 0 514.648 2.488 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3cccc(Cl)c3)CC1)C(=O)CO2 ZINC000008583504 553079824 /nfs/dbraw/zinc/07/98/24/553079824.db2.gz JDRZTSMWHUOUBB-UHFFFAOYSA-N 0 0 521.039 2.445 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccc(Cl)cc3)CC1)C(=O)CO2 ZINC000008583506 553079820 /nfs/dbraw/zinc/07/98/20/553079820.db2.gz JWRFEHVYQKYOJP-UHFFFAOYSA-N 0 0 521.039 2.445 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3cccc(C)c3C)CC1)C(=O)CO2 ZINC000008583507 553079813 /nfs/dbraw/zinc/07/98/13/553079813.db2.gz BLXNMUHNZWZOKZ-UHFFFAOYSA-N 0 0 514.648 2.408 50 0 KEAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000008583579 553080293 /nfs/dbraw/zinc/08/02/93/553080293.db2.gz YSZPSCDLAQCYAK-OAQYLSRUSA-N 0 0 546.671 2.083 50 0 KEAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000008583630 553080269 /nfs/dbraw/zinc/08/02/69/553080269.db2.gz QEBNZSFYMLCHFZ-HXUWFJFHSA-N 0 0 532.688 2.497 50 0 KEAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cc(C)ccc2C)CC1 ZINC000008583631 553080280 /nfs/dbraw/zinc/08/02/80/553080280.db2.gz QEBNZSFYMLCHFZ-FQEVSTJZSA-N 0 0 532.688 2.497 50 0 KEAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008583632 553080286 /nfs/dbraw/zinc/08/02/86/553080286.db2.gz GTGYIRVWQCTBCN-IBGZPJMESA-N 0 0 522.624 2.019 50 0 KEAARN CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000008583633 553080299 /nfs/dbraw/zinc/08/02/99/553080299.db2.gz GTGYIRVWQCTBCN-LJQANCHMSA-N 0 0 522.624 2.019 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3cccc(C)c3)[C@H](C)C1)C(=O)CO2 ZINC000008583982 553080412 /nfs/dbraw/zinc/08/04/12/553080412.db2.gz HKGNXXNZTRYUHC-HXUWFJFHSA-N 0 0 514.648 2.488 50 0 KEAARN CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000008583986 553080400 /nfs/dbraw/zinc/08/04/00/553080400.db2.gz YSZPSCDLAQCYAK-NRFANRHFSA-N 0 0 546.671 2.083 50 0 KEAARN COc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008590592 553082008 /nfs/dbraw/zinc/08/20/08/553082008.db2.gz KTGBBDLQDXYPFD-FQEVSTJZSA-N 0 0 517.482 2.044 50 0 KEAARN COc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008590593 553082004 /nfs/dbraw/zinc/08/20/04/553082004.db2.gz KTGBBDLQDXYPFD-HXUWFJFHSA-N 0 0 517.482 2.044 50 0 KEAARN CC[C@@H](C)NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000008591311 553082282 /nfs/dbraw/zinc/08/22/82/553082282.db2.gz NRPIDVUUQLHQGA-MRXNPFEDSA-N 0 0 533.676 2.201 50 0 KEAARN CC[C@H](C)NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000008591313 553082289 /nfs/dbraw/zinc/08/22/89/553082289.db2.gz NRPIDVUUQLHQGA-INIZCTEOSA-N 0 0 533.676 2.201 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000008591330 553082426 /nfs/dbraw/zinc/08/24/26/553082426.db2.gz JTIZYKXCAXFKHX-UHFFFAOYSA-N 0 0 629.168 2.070 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)c(C)c1)c(=O)n(CCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000008591896 553083179 /nfs/dbraw/zinc/08/31/79/553083179.db2.gz OFDVQRCSCJHTFC-FQEVSTJZSA-N 0 0 538.601 2.121 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)c(C)c1)c(=O)n(CCC(=O)NC[C@H]1CCCO1)c2=O ZINC000008591898 553083173 /nfs/dbraw/zinc/08/31/73/553083173.db2.gz OFDVQRCSCJHTFC-HXUWFJFHSA-N 0 0 538.601 2.121 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1C)c(=O)n(CCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000008591900 553083184 /nfs/dbraw/zinc/08/31/84/553083184.db2.gz WLDLMSPRSLPOQM-IBGZPJMESA-N 0 0 538.601 2.121 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1C)c(=O)n(CCC(=O)NC[C@H]1CCCO1)c2=O ZINC000008591901 553083167 /nfs/dbraw/zinc/08/31/67/553083167.db2.gz WLDLMSPRSLPOQM-LJQANCHMSA-N 0 0 538.601 2.121 50 0 KEAARN CCc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCC(=O)NC[C@@H]3CCCO3)c2=O)c1 ZINC000008591903 553083185 /nfs/dbraw/zinc/08/31/85/553083185.db2.gz LOAQJBHJJYLAHI-FQEVSTJZSA-N 0 0 538.601 2.067 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1c(C)cccc1C)c(=O)n(CCC(=O)NC[C@H]1CCCO1)c2=O ZINC000008591906 553083159 /nfs/dbraw/zinc/08/31/59/553083159.db2.gz VZFCQBKMKDMTGB-LJQANCHMSA-N 0 0 538.601 2.121 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc(C)c(F)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000008592862 553084461 /nfs/dbraw/zinc/08/44/61/553084461.db2.gz JWVRMVCQLPIQJK-UHFFFAOYSA-N 0 0 557.633 2.154 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000008592866 553084463 /nfs/dbraw/zinc/08/44/63/553084463.db2.gz ISLCEZRBWQNILG-UHFFFAOYSA-N 0 0 578.051 2.499 50 0 KEAARN CCc1ccccc1N(C)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000008592885 553084447 /nfs/dbraw/zinc/08/44/47/553084447.db2.gz KYWHZHUGTVHBIK-UHFFFAOYSA-N 0 0 567.697 2.293 50 0 KEAARN CCN(C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1ccccc1F ZINC000008592890 553084459 /nfs/dbraw/zinc/08/44/59/553084459.db2.gz KOLJUJSOVLATRJ-UHFFFAOYSA-N 0 0 571.660 2.260 50 0 KEAARN COc1ccc(Cl)cc1N(C)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000008592906 553084431 /nfs/dbraw/zinc/08/44/31/553084431.db2.gz NUCVZGGYDAFLNT-UHFFFAOYSA-N 0 0 604.114 2.392 50 0 KEAARN CN(C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O)c1ccccc1 ZINC000008593121 553084892 /nfs/dbraw/zinc/08/48/92/553084892.db2.gz YERZLKHVCRNNTQ-UHFFFAOYSA-N 0 0 520.567 2.323 50 0 KEAARN COc1cc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc(OC)c1 ZINC000008593257 553085206 /nfs/dbraw/zinc/08/52/06/553085206.db2.gz RAZFGJBDRZWNBT-UHFFFAOYSA-N 0 0 582.635 2.257 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000008593568 553086011 /nfs/dbraw/zinc/08/60/11/553086011.db2.gz FSZLWOMXHGABDY-UHFFFAOYSA-N 0 0 558.547 2.024 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccccc2OC)c1=O ZINC000008593782 553086665 /nfs/dbraw/zinc/08/66/65/553086665.db2.gz XCRIEMYVUPSDNG-UHFFFAOYSA-N 0 0 544.564 2.304 50 0 KEAARN COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000008593788 553086633 /nfs/dbraw/zinc/08/66/33/553086633.db2.gz MIIAUCQXLRFFPZ-UHFFFAOYSA-N 0 0 502.955 2.007 50 0 KEAARN Cc1noc(Cn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3Br)c2=O)OCO4)n1 ZINC000008593918 553086956 /nfs/dbraw/zinc/08/69/56/553086956.db2.gz QZWIZTACGIQTFJ-UHFFFAOYSA-N 0 0 514.292 2.033 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc5nsnc54)C3)CC2)c1 ZINC000008595634 553089154 /nfs/dbraw/zinc/08/91/54/553089154.db2.gz VICMHKDLUOKQEK-QGZVFWFLSA-N 0 0 501.634 2.449 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccc5nsnc54)C3)CC2)c1 ZINC000008595636 553089181 /nfs/dbraw/zinc/08/91/81/553089181.db2.gz VICMHKDLUOKQEK-KRWDZBQOSA-N 0 0 501.634 2.449 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008596505 553090579 /nfs/dbraw/zinc/09/05/79/553090579.db2.gz GDZUFYVFLCEMNW-UHFFFAOYSA-N 0 0 510.616 2.005 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008596520 553090561 /nfs/dbraw/zinc/09/05/61/553090561.db2.gz ZIJYKYDSPNAMMP-UHFFFAOYSA-N 0 0 528.606 2.144 50 0 KEAARN CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000008596550 553090553 /nfs/dbraw/zinc/09/05/53/553090553.db2.gz YBZPCOWMXNZCEQ-UHFFFAOYSA-N 0 0 529.615 2.032 50 0 KEAARN CCOc1ccc(CCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)cc1OCC ZINC000008596666 553090878 /nfs/dbraw/zinc/09/08/78/553090878.db2.gz AJGXIACFXALGGM-UHFFFAOYSA-N 0 0 543.642 2.329 50 0 KEAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008598608 553094834 /nfs/dbraw/zinc/09/48/34/553094834.db2.gz PWVGPSQJERFGJE-NRFANRHFSA-N 0 0 507.012 2.437 50 0 KEAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008598609 553094789 /nfs/dbraw/zinc/09/47/89/553094789.db2.gz PWVGPSQJERFGJE-OAQYLSRUSA-N 0 0 507.012 2.437 50 0 KEAARN CCOC(=O)C[C@@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccc(OCC)c(OC)c1 ZINC000008598762 553095172 /nfs/dbraw/zinc/09/51/72/553095172.db2.gz PTVJWCFVTCWSEF-HXUWFJFHSA-N 0 0 540.617 2.400 50 0 KEAARN CCOC(=O)C[C@H](NC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccc(OCC)c(OC)c1 ZINC000008598764 553095156 /nfs/dbraw/zinc/09/51/56/553095156.db2.gz PTVJWCFVTCWSEF-FQEVSTJZSA-N 0 0 540.617 2.400 50 0 KEAARN COCCCNC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NCCOC ZINC000008599250 553095282 /nfs/dbraw/zinc/09/52/82/553095282.db2.gz HMFBBIQAQLIZNP-UHFFFAOYSA-N 0 0 506.650 2.399 50 0 KEAARN CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000008599441 553095592 /nfs/dbraw/zinc/09/55/92/553095592.db2.gz QAIKVFIZFCWUBK-HSZRJFAPSA-N 0 0 520.611 2.328 50 0 KEAARN CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000008599442 553095643 /nfs/dbraw/zinc/09/56/43/553095643.db2.gz QAIKVFIZFCWUBK-QHCPKHFHSA-N 0 0 520.611 2.328 50 0 KEAARN Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000008599457 553095624 /nfs/dbraw/zinc/09/56/24/553095624.db2.gz WDELQSXDJHOXFH-HSZRJFAPSA-N 0 0 520.611 2.382 50 0 KEAARN Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000008599460 553095616 /nfs/dbraw/zinc/09/56/16/553095616.db2.gz WDELQSXDJHOXFH-QHCPKHFHSA-N 0 0 520.611 2.382 50 0 KEAARN CCc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000008599484 553095587 /nfs/dbraw/zinc/09/55/87/553095587.db2.gz WYSYQZKKWHQOCN-HSZRJFAPSA-N 0 0 520.611 2.328 50 0 KEAARN CCc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000008599486 553095628 /nfs/dbraw/zinc/09/56/28/553095628.db2.gz WYSYQZKKWHQOCN-QHCPKHFHSA-N 0 0 520.611 2.328 50 0 KEAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000008599493 553095620 /nfs/dbraw/zinc/09/56/20/553095620.db2.gz IACKLQVIRMBLEY-JOCHJYFZSA-N 0 0 506.584 2.074 50 0 KEAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000008599494 553095637 /nfs/dbraw/zinc/09/56/37/553095637.db2.gz IACKLQVIRMBLEY-QFIPXVFZSA-N 0 0 506.584 2.074 50 0 KEAARN Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000008599498 553095574 /nfs/dbraw/zinc/09/55/74/553095574.db2.gz QANIZXMQZNMWDF-JOCHJYFZSA-N 0 0 506.584 2.074 50 0 KEAARN Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000008599500 553095612 /nfs/dbraw/zinc/09/56/12/553095612.db2.gz QANIZXMQZNMWDF-QFIPXVFZSA-N 0 0 506.584 2.074 50 0 KEAARN COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000008600916 553096124 /nfs/dbraw/zinc/09/61/24/553096124.db2.gz WRQRPSVWYQAFOH-UHFFFAOYSA-N 0 0 512.632 2.012 50 0 KEAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000008600975 553096129 /nfs/dbraw/zinc/09/61/29/553096129.db2.gz OWLPYKFMNRNRAK-UHFFFAOYSA-N 0 0 500.596 2.142 50 0 KEAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCN(c2ccccc2F)CC1 ZINC000008600987 553096083 /nfs/dbraw/zinc/09/60/83/553096083.db2.gz NUDHANNYASWKGQ-UHFFFAOYSA-N 0 0 500.596 2.142 50 0 KEAARN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)CC2)c1C ZINC000008603641 553096656 /nfs/dbraw/zinc/09/66/56/553096656.db2.gz SQOHGTWMMXTWKQ-HXUWFJFHSA-N 0 0 512.632 2.498 50 0 KEAARN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)CC2)c1C ZINC000008603642 553096641 /nfs/dbraw/zinc/09/66/41/553096641.db2.gz SQOHGTWMMXTWKQ-FQEVSTJZSA-N 0 0 512.632 2.498 50 0 KEAARN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)CC2)c1 ZINC000008603644 553096867 /nfs/dbraw/zinc/09/68/67/553096867.db2.gz LHXNMKZDGNMNGZ-HXUWFJFHSA-N 0 0 512.632 2.498 50 0 KEAARN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)CC2)c1 ZINC000008603645 553096822 /nfs/dbraw/zinc/09/68/22/553096822.db2.gz LHXNMKZDGNMNGZ-FQEVSTJZSA-N 0 0 512.632 2.498 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)ccc21 ZINC000008603676 553096826 /nfs/dbraw/zinc/09/68/26/553096826.db2.gz BMXDWDWCFDDOPI-KRWDZBQOSA-N 0 0 502.568 2.020 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)ccc21 ZINC000008603677 553096862 /nfs/dbraw/zinc/09/68/62/553096862.db2.gz BMXDWDWCFDDOPI-QGZVFWFLSA-N 0 0 502.568 2.020 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)ccc21 ZINC000008603685 553096877 /nfs/dbraw/zinc/09/68/77/553096877.db2.gz FAOZSFOUAMETHD-KRWDZBQOSA-N 0 0 502.568 2.020 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccccc5F)CC4)C3)ccc21 ZINC000008603687 553096871 /nfs/dbraw/zinc/09/68/71/553096871.db2.gz FAOZSFOUAMETHD-QGZVFWFLSA-N 0 0 502.568 2.020 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)ccc21 ZINC000008603785 553096805 /nfs/dbraw/zinc/09/68/05/553096805.db2.gz KYHKGRMZFOEADN-UHFFFAOYSA-N 0 0 502.568 2.020 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000008604034 553096800 /nfs/dbraw/zinc/09/68/00/553096800.db2.gz WFVNCQNQJLEWMK-UHFFFAOYSA-N 0 0 530.622 2.465 50 0 KEAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)CC1 ZINC000008604037 553096855 /nfs/dbraw/zinc/09/68/55/553096855.db2.gz NBDXSHIVAFDSIH-UHFFFAOYSA-N 0 0 542.658 2.334 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4ccccc4)CC2)C(=O)CO3)CC1 ZINC000008604095 553096874 /nfs/dbraw/zinc/09/68/74/553096874.db2.gz COBOBRQXYYRKQQ-UHFFFAOYSA-N 0 0 512.632 2.181 50 0 KEAARN COc1ccc(OC)c(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)c1 ZINC000008604145 553096936 /nfs/dbraw/zinc/09/69/36/553096936.db2.gz QKTWCZWVDILSGT-UHFFFAOYSA-N 0 0 531.631 2.209 50 0 KEAARN COc1cccc(N2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCC(C)CC5)cc43)CC2)c1 ZINC000008604199 553096893 /nfs/dbraw/zinc/09/68/93/553096893.db2.gz CFXCPYROBHZESE-UHFFFAOYSA-N 0 0 542.658 2.190 50 0 KEAARN Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5CCCC5)ccc4OCC3=O)C[C@@H]2C)c1 ZINC000008604225 553097277 /nfs/dbraw/zinc/09/72/77/553097277.db2.gz CNBDLNYVRUXJBZ-FQEVSTJZSA-N 0 0 512.632 2.242 50 0 KEAARN Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5CCCC5)ccc4OCC3=O)C[C@H]2C)c1 ZINC000008604226 553097222 /nfs/dbraw/zinc/09/72/22/553097222.db2.gz CNBDLNYVRUXJBZ-HXUWFJFHSA-N 0 0 512.632 2.242 50 0 KEAARN COc1ccccc1N1CCN(C(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)CC1 ZINC000008604289 553097446 /nfs/dbraw/zinc/09/74/46/553097446.db2.gz PFRHSBRCOGMZQH-UHFFFAOYSA-N 0 0 542.658 2.190 50 0 KEAARN Cc1cccc(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5CCCC5)ccc4OCC3=O)CC2)c1C ZINC000008604319 553097483 /nfs/dbraw/zinc/09/74/83/553097483.db2.gz SFDGLEQNVZEUGL-UHFFFAOYSA-N 0 0 512.632 2.162 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008604321 553097500 /nfs/dbraw/zinc/09/75/00/553097500.db2.gz LSOBAAPMXUNTGY-UHFFFAOYSA-N 0 0 519.023 2.199 50 0 KEAARN Cc1ccc(C)c(N2CCN(C(=O)CN3c4cc(S(=O)(=O)N5CCCC5)ccc4OCC3=O)CC2)c1 ZINC000008604337 553097421 /nfs/dbraw/zinc/09/74/21/553097421.db2.gz XFFQZNNFRYNVKV-UHFFFAOYSA-N 0 0 512.632 2.162 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(c2ccccc2F)CC1 ZINC000008604341 553097504 /nfs/dbraw/zinc/09/75/04/553097504.db2.gz QBEYGQQZPSEGDE-UHFFFAOYSA-N 0 0 530.622 2.465 50 0 KEAARN COc1ccc(OC)c(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)c1 ZINC000008604342 553097505 /nfs/dbraw/zinc/09/75/05/553097505.db2.gz YNZHKVGSDKJVHB-UHFFFAOYSA-N 0 0 531.631 2.353 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(c2ccccc2)CC1 ZINC000008604361 553097506 /nfs/dbraw/zinc/09/75/06/553097506.db2.gz OOKKNIMRZJHKET-UHFFFAOYSA-N 0 0 512.632 2.326 50 0 KEAARN COc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)cc1OC ZINC000008604394 553097479 /nfs/dbraw/zinc/09/74/79/553097479.db2.gz IOGYVQFBGSHBKM-UHFFFAOYSA-N 0 0 531.631 2.353 50 0 KEAARN COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCCCn1ccnc1 ZINC000008606492 553098490 /nfs/dbraw/zinc/09/84/90/553098490.db2.gz MYGTZKVUJSDTJC-QJOMJCCJSA-N 0 0 550.641 2.478 50 0 KEAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1 ZINC000008606493 553098475 /nfs/dbraw/zinc/09/84/75/553098475.db2.gz ICKPGBLENQRULF-ULJHMMPZSA-N 0 0 550.641 2.478 50 0 KEAARN CCCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000008609365 553100018 /nfs/dbraw/zinc/10/00/18/553100018.db2.gz WGGNUNHCGNZTCZ-UHFFFAOYSA-N 0 0 533.676 2.202 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4cc(C)ccc4C)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000008609370 553100231 /nfs/dbraw/zinc/10/02/31/553100231.db2.gz SIIXYAGDROKTPS-UHFFFAOYSA-N 0 0 622.777 2.033 50 0 KEAARN CCc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCC(=O)NC[C@H]3CCCO3)c2=O)c1 ZINC000008609422 553100167 /nfs/dbraw/zinc/10/01/67/553100167.db2.gz LOAQJBHJJYLAHI-HXUWFJFHSA-N 0 0 538.601 2.067 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1c(C)cccc1C)c(=O)n(CCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000008609425 553100240 /nfs/dbraw/zinc/10/02/40/553100240.db2.gz VZFCQBKMKDMTGB-IBGZPJMESA-N 0 0 538.601 2.121 50 0 KEAARN Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)CC2)c1C ZINC000008614763 553102064 /nfs/dbraw/zinc/10/20/64/553102064.db2.gz MGHWRVHLNXIGTA-UHFFFAOYSA-N 0 0 512.632 2.498 50 0 KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000008647922 553106498 /nfs/dbraw/zinc/10/64/98/553106498.db2.gz NNWAGEQDNUVUNB-RKFAPSRVSA-N 0 0 558.536 2.280 50 0 KEAARN COc1ccc(CC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 ZINC000008647923 553106468 /nfs/dbraw/zinc/10/64/68/553106468.db2.gz SKCWBCIWBVERLQ-XYPQWYOHSA-N 0 0 588.562 2.288 50 0 KEAARN CCOC(=O)C1=NO[C@H](CNC(=O)C2=NO[C@H](CNC(=O)c3c(C)onc3-c3ccccc3Cl)C2)C1 ZINC000008666976 553109801 /nfs/dbraw/zinc/10/98/01/553109801.db2.gz JGYBLEIUOMVEGQ-KBPBESRZSA-N 0 0 517.926 2.002 50 0 KEAARN CCOC(=O)C1=NO[C@@H](CNC(=O)C2=NO[C@@H](CNC(=O)c3c(C)onc3-c3ccccc3Cl)C2)C1 ZINC000008666977 553109795 /nfs/dbraw/zinc/10/97/95/553109795.db2.gz JGYBLEIUOMVEGQ-ZIAGYGMSSA-N 0 0 517.926 2.002 50 0 KEAARN O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1)OCC(=O)N1CCCCC1 ZINC000008671144 553110247 /nfs/dbraw/zinc/11/02/47/553110247.db2.gz KAMCEUNMBVZTIK-QFIPXVFZSA-N 0 0 531.606 2.173 50 0 KEAARN O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1)OCC(=O)N1CCCCC1 ZINC000008671145 553110292 /nfs/dbraw/zinc/11/02/92/553110292.db2.gz KAMCEUNMBVZTIK-JOCHJYFZSA-N 0 0 531.606 2.173 50 0 KEAARN COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc(OC)c1OC ZINC000008671432 553110397 /nfs/dbraw/zinc/11/03/97/553110397.db2.gz KPKJEDBCGDJSSH-LLYBFZRZSA-N 0 0 527.983 2.425 50 0 KEAARN COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc(OC)c1OC ZINC000008671433 553110487 /nfs/dbraw/zinc/11/04/87/553110487.db2.gz KPKJEDBCGDJSSH-NFAHFFEMSA-N 0 0 527.983 2.425 50 0 KEAARN COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3 ZINC000008673586 553110961 /nfs/dbraw/zinc/11/09/61/553110961.db2.gz RNQBISJZTASVGW-UHFFFAOYSA-N 0 0 542.614 2.085 50 0 KEAARN COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc(OC)cc1)OCO3 ZINC000008673588 553110935 /nfs/dbraw/zinc/11/09/35/553110935.db2.gz BEIYLQNUMAEAIK-UHFFFAOYSA-N 0 0 556.641 2.475 50 0 KEAARN COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCc1ccc2c(c1)OCO2)OCO3 ZINC000008673646 553111287 /nfs/dbraw/zinc/11/12/87/553111287.db2.gz HIEVTALNMKRZGN-UHFFFAOYSA-N 0 0 570.624 2.195 50 0 KEAARN COCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3 ZINC000008673682 553111264 /nfs/dbraw/zinc/11/12/64/553111264.db2.gz VLVISQVMFIZYKX-UHFFFAOYSA-N 0 0 586.667 2.136 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000008680937 553112332 /nfs/dbraw/zinc/11/23/32/553112332.db2.gz YWAZWPUJLGYJLD-UHFFFAOYSA-N 0 0 567.686 2.150 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000008684000 553113172 /nfs/dbraw/zinc/11/31/72/553113172.db2.gz FKGOKFOYRUAKND-SGEDCAFJSA-N 0 0 586.717 2.485 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc(C)cs4)nn32)cc1 ZINC000008684081 553113121 /nfs/dbraw/zinc/11/31/21/553113121.db2.gz UMCSWZAQYUMFNW-UHFFFAOYSA-N 0 0 519.634 2.150 50 0 KEAARN O=C(COC(=O)Cc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008684385 553113417 /nfs/dbraw/zinc/11/34/17/553113417.db2.gz LXDRZULSZMFJQL-UHFFFAOYSA-N 0 0 505.568 2.171 50 0 KEAARN Cc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000008685477 553114226 /nfs/dbraw/zinc/11/42/26/553114226.db2.gz MOZGGJHVLLYGBC-HSZRJFAPSA-N 0 0 520.995 2.075 50 0 KEAARN CCc1cccc(CC)c1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cccnc1 ZINC000008687335 553116629 /nfs/dbraw/zinc/11/66/29/553116629.db2.gz BXRNNFRHQDMXKC-UHFFFAOYSA-N 0 0 505.604 2.409 50 0 aggregator KEAARN O=C(COC(=O)Cc1ccccc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000008687873 553116874 /nfs/dbraw/zinc/11/68/74/553116874.db2.gz RBTWNBQKFUFNAT-UHFFFAOYSA-N 0 0 505.568 2.171 50 0 KEAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccc(N2CCOCC2)cc1 ZINC000008687893 553116835 /nfs/dbraw/zinc/11/68/35/553116835.db2.gz UOBPZFOFEWZPQK-XCVCLJGOSA-N 0 0 516.645 2.071 50 0 KEAARN CCN(CC)c1ccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cncn2)cc1 ZINC000008687910 553116861 /nfs/dbraw/zinc/11/68/61/553116861.db2.gz JKOSIHTZIUJVLE-UHFFFAOYSA-N 0 0 543.675 2.261 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000008690426 553117448 /nfs/dbraw/zinc/11/74/48/553117448.db2.gz PIYYKROMSGSQCG-UHFFFAOYSA-N 0 0 531.631 2.225 50 0 KEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000008692258 553118042 /nfs/dbraw/zinc/11/80/42/553118042.db2.gz YRKNTCTZCMJXTD-FQEVSTJZSA-N 0 0 514.025 2.153 50 0 KEAARN Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000008692266 553117983 /nfs/dbraw/zinc/11/79/83/553117983.db2.gz NWXUUVZWNJIURR-UHFFFAOYSA-N 0 0 523.611 2.263 50 0 KEAARN Cc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1S(=O)(=O)N1CCOCC1 ZINC000008692344 553118033 /nfs/dbraw/zinc/11/80/33/553118033.db2.gz QDQYJIGVXVFXAO-UHFFFAOYSA-N 0 0 501.586 2.317 50 0 aggregator KEAARN O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000008692516 553118158 /nfs/dbraw/zinc/11/81/58/553118158.db2.gz BPRBHHBMPFXFRQ-ZHZULCJRSA-N 0 0 519.576 2.313 50 0 KEAARN C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 ZINC000008692910 553118575 /nfs/dbraw/zinc/11/85/75/553118575.db2.gz DZAKRSXBMGSWAR-LAUBAEHRSA-N 0 0 516.041 2.450 50 0 KEAARN C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 ZINC000008692913 553118545 /nfs/dbraw/zinc/11/85/45/553118545.db2.gz DZAKRSXBMGSWAR-UWJYYQICSA-N 0 0 516.041 2.450 50 0 KEAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 ZINC000008692914 553118587 /nfs/dbraw/zinc/11/85/87/553118587.db2.gz DZAKRSXBMGSWAR-DYESRHJHSA-N 0 0 516.041 2.450 50 0 KEAARN C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2 ZINC000008692917 553118605 /nfs/dbraw/zinc/11/86/05/553118605.db2.gz DZAKRSXBMGSWAR-UTKZUKDTSA-N 0 0 516.041 2.450 50 0 KEAARN CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000008693848 553118874 /nfs/dbraw/zinc/11/88/74/553118874.db2.gz SASPNJVWTFVLFY-UHFFFAOYSA-N 0 0 545.658 2.288 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)c1 ZINC000008693922 553118751 /nfs/dbraw/zinc/11/87/51/553118751.db2.gz DDKFAVKGMBDLLF-UHFFFAOYSA-N 0 0 557.650 2.479 50 0 aggregator KEAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCC2 ZINC000008693966 553119038 /nfs/dbraw/zinc/11/90/38/553119038.db2.gz RVGXFQLKWFQFMO-UHFFFAOYSA-N 0 0 536.628 2.159 50 0 KEAARN O=C(CN(Cc1cccnc1)C(=O)CN1c2ccccc2C(=O)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008694375 553119282 /nfs/dbraw/zinc/11/92/82/553119282.db2.gz AEDHMQZJJMDPQU-UHFFFAOYSA-N 0 0 513.554 2.115 50 0 KEAARN O=C(CN1C(=O)c2ccccc2C1=O)N([C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1csnn1)C1CC1 ZINC000008695988 553125049 /nfs/dbraw/zinc/12/50/49/553125049.db2.gz HREREFRHZPMZRU-DEOSSOPVSA-N 0 0 546.609 2.342 50 0 KEAARN O=C(CN1C(=O)c2ccccc2C1=O)N([C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)c1csnn1)C1CC1 ZINC000008695989 553125052 /nfs/dbraw/zinc/12/50/52/553125052.db2.gz HREREFRHZPMZRU-XMMPIXPASA-N 0 0 546.609 2.342 50 0 KEAARN O=c1cc(CSc2nnnn2-c2ccccc2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]1 ZINC000008758039 553137020 /nfs/dbraw/zinc/13/70/20/553137020.db2.gz YVAZYTKADZFLCC-UHFFFAOYSA-N 0 0 504.576 2.089 50 0 KEAARN Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000008762388 553137533 /nfs/dbraw/zinc/13/75/33/553137533.db2.gz MOZGGJHVLLYGBC-QHCPKHFHSA-N 0 0 520.995 2.075 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008767140 553139329 /nfs/dbraw/zinc/13/93/29/553139329.db2.gz YAKACQBIFZKQDQ-QFXGEWDLSA-N 0 0 510.591 2.282 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008767142 553139348 /nfs/dbraw/zinc/13/93/48/553139348.db2.gz YAKACQBIFZKQDQ-FIWMFUAISA-N 0 0 510.591 2.282 50 0 KEAARN NC(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccccc4)c3-c3ccccc3)s2)cc1 ZINC000008770576 553141051 /nfs/dbraw/zinc/14/10/51/553141051.db2.gz IYZKPXARUVWPDC-PNOGMODKSA-N 0 0 580.630 2.494 50 0 KEAARN Cc1c(C(=O)/N=c2\sn(-c3ccc(C(N)=O)cc3)nc2C(=O)N2CCCCC2)nnn1-c1ccc(F)cc1 ZINC000008770640 553140986 /nfs/dbraw/zinc/14/09/86/553140986.db2.gz YULXCDOXRYZKAC-COOPMVRXSA-N 0 0 534.577 2.428 50 0 KEAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3C)s2)cc1 ZINC000008770691 553141046 /nfs/dbraw/zinc/14/10/46/553141046.db2.gz IOFWOOCKPPWGGS-RWEWTDSWSA-N 0 0 523.550 2.184 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)C=C(NC3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000008771779 553141254 /nfs/dbraw/zinc/14/12/54/553141254.db2.gz WEYRJDHPWMYGAT-UHFFFAOYSA-N 0 0 513.572 2.072 50 0 KEAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCc1c(F)cccc1Cl ZINC000008811539 553149276 /nfs/dbraw/zinc/14/92/76/553149276.db2.gz DMDAYGMPZFAMSK-UHFFFAOYSA-N 0 0 514.000 2.255 50 0 KEAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCc1ccc(Cl)cc1 ZINC000008811544 553149294 /nfs/dbraw/zinc/14/92/94/553149294.db2.gz SYEWBGLUXOHARU-UHFFFAOYSA-N 0 0 510.037 2.159 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)CC1 ZINC000008812159 553149605 /nfs/dbraw/zinc/14/96/05/553149605.db2.gz GKACQERPFNLTBQ-QHCPKHFHSA-N 0 0 506.669 2.199 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3cc(C)ccc3C)CC1)C(=O)CO2 ZINC000008814306 553151652 /nfs/dbraw/zinc/15/16/52/553151652.db2.gz FATFPFFFKIRUPE-UHFFFAOYSA-N 0 0 514.648 2.408 50 0 KEAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)cc1 ZINC000008815730 553151674 /nfs/dbraw/zinc/15/16/74/553151674.db2.gz DUORJYRPZRHCDK-UHFFFAOYSA-N 0 0 501.542 2.279 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 ZINC000008818838 553153720 /nfs/dbraw/zinc/15/37/20/553153720.db2.gz UXQQAGRMUKZFBD-JUTHHCEFSA-N 0 0 506.536 2.259 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000008818861 553153746 /nfs/dbraw/zinc/15/37/46/553153746.db2.gz LVQFNMYLFBFDRJ-RKKARLDVSA-N 0 0 501.564 2.370 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000008818862 553153733 /nfs/dbraw/zinc/15/37/33/553153733.db2.gz LVQFNMYLFBFDRJ-VFJWVMJUSA-N 0 0 501.564 2.370 50 0 KEAARN COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000008826557 553156135 /nfs/dbraw/zinc/15/61/35/553156135.db2.gz QGJZFTSLOOJXJE-HSZRJFAPSA-N 0 0 515.613 2.398 50 0 KEAARN COc1ccc(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000008829682 553157647 /nfs/dbraw/zinc/15/76/47/553157647.db2.gz TWQMJLFAKLUGBO-UHFFFAOYSA-N 0 0 524.039 2.329 50 0 KEAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000008830360 553157939 /nfs/dbraw/zinc/15/79/39/553157939.db2.gz QRKQLHDAXDMMHE-HSZRJFAPSA-N 0 0 512.632 2.305 50 0 KEAARN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 ZINC000008830361 553157872 /nfs/dbraw/zinc/15/78/72/553157872.db2.gz QRKQLHDAXDMMHE-QHCPKHFHSA-N 0 0 512.632 2.305 50 0 KEAARN Cc1csc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)n1 ZINC000008830376 553158221 /nfs/dbraw/zinc/15/82/21/553158221.db2.gz DBYYTFNWHAGZCE-UHFFFAOYSA-N 0 0 503.635 2.449 50 0 KEAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O ZINC000008842943 553165003 /nfs/dbraw/zinc/16/50/03/553165003.db2.gz PFCGCSANDQSCCS-XZOQPEGZSA-N 0 0 524.618 2.294 50 0 KEAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC000008842944 553164939 /nfs/dbraw/zinc/16/49/39/553164939.db2.gz PFCGCSANDQSCCS-GOTSBHOMSA-N 0 0 524.618 2.294 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC000008842945 553165001 /nfs/dbraw/zinc/16/50/01/553165001.db2.gz PFCGCSANDQSCCS-PKTZIBPZSA-N 0 0 524.618 2.294 50 0 KEAARN COc1ccccc1OCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCOc1ccccc1OC)c3=O ZINC000008846308 553166098 /nfs/dbraw/zinc/16/60/98/553166098.db2.gz IERPWYOTUVVJNQ-UHFFFAOYSA-N 0 0 516.506 2.088 50 0 KEAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)C1 ZINC000008880968 553175974 /nfs/dbraw/zinc/17/59/74/553175974.db2.gz YSABFGJJUNTTEZ-GASCZTMLSA-N 0 0 506.650 2.275 50 0 KEAARN COc1ccccc1-c1nc(SCC(=O)Nc2ccc(NC(C)=O)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000008900156 553181387 /nfs/dbraw/zinc/18/13/87/553181387.db2.gz BQNMDADNZBAHAU-UHFFFAOYSA-N 0 0 520.571 2.392 50 0 KEAARN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000008918155 553187826 /nfs/dbraw/zinc/18/78/26/553187826.db2.gz OAWCVDIHMTVSBA-CVDCTZTESA-N 0 0 521.680 2.338 50 0 biogenic KEAARN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O ZINC000008952262 553193934 /nfs/dbraw/zinc/19/39/34/553193934.db2.gz DDYLKTWLCZXWCQ-UHFFFAOYSA-N 0 0 502.014 2.074 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000009008643 553199078 /nfs/dbraw/zinc/19/90/78/553199078.db2.gz IKXOXYBNBVOAJI-RQLGBQGVSA-N 0 0 506.536 2.259 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000009008644 553198950 /nfs/dbraw/zinc/19/89/50/553198950.db2.gz IKXOXYBNBVOAJI-FJWZAKCXSA-N 0 0 506.536 2.259 50 0 KEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000009030342 553201323 /nfs/dbraw/zinc/20/13/23/553201323.db2.gz STCIMPRHAGYAII-FCKOQQNDSA-N 0 0 524.595 2.451 50 0 KEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000009030344 553201321 /nfs/dbraw/zinc/20/13/21/553201321.db2.gz STCIMPRHAGYAII-DLBLZJNESA-N 0 0 524.595 2.451 50 0 KEAARN Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000009041311 553202306 /nfs/dbraw/zinc/20/23/06/553202306.db2.gz SOLSJQMDEXQCNH-UHFFFAOYSA-N 0 0 513.601 2.267 50 0 KEAARN CCOC(=O)C1=C(N)OC(C)=C(C(=O)OC)[C@@]12c1ccccc1N(CC(=O)OCc1ccccc1)C2=O ZINC000009076262 553207686 /nfs/dbraw/zinc/20/76/86/553207686.db2.gz SVPAPNDATQNETG-MHZLTWQESA-N 0 0 506.511 2.225 50 0 KEAARN CCC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CN(c3ccccc3OC)CCN21 ZINC000009087343 553208536 /nfs/dbraw/zinc/20/85/36/553208536.db2.gz VJECCSRSUOUJGL-JOCHJYFZSA-N 0 0 505.575 2.332 50 0 KEAARN CCC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CN(c3ccccc3OC)CCN21 ZINC000009087344 553208577 /nfs/dbraw/zinc/20/85/77/553208577.db2.gz VJECCSRSUOUJGL-QFIPXVFZSA-N 0 0 505.575 2.332 50 0 KEAARN CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCSc1nnnn1-c1ccccc1 ZINC000009110544 553210144 /nfs/dbraw/zinc/21/01/44/553210144.db2.gz CYTPAAYTSHRAMK-UHFFFAOYSA-N 0 0 503.592 2.218 50 0 KEAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc2c(c1)OCO2 ZINC000009116670 553211499 /nfs/dbraw/zinc/21/14/99/553211499.db2.gz GVDJLEXSRXKWBQ-UHFFFAOYSA-N 0 0 512.573 2.105 50 0 KEAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)NCc1ccc(F)cc1 ZINC000009116674 553211521 /nfs/dbraw/zinc/21/15/21/553211521.db2.gz AQJZAORZTINHIM-UHFFFAOYSA-N 0 0 500.581 2.193 50 0 KEAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCCc4ccccc4)nn32)cc1 ZINC000009116722 553211664 /nfs/dbraw/zinc/21/16/64/553211664.db2.gz QYMBRQCDUOJJIP-UHFFFAOYSA-N 0 0 510.645 2.405 50 0 KEAARN CCc1nnc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)s1 ZINC000009116724 553211670 /nfs/dbraw/zinc/21/16/70/553211670.db2.gz OJLZEXXCUXKITB-UHFFFAOYSA-N 0 0 518.650 2.098 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccccc4)nn32)cc1 ZINC000009116746 553211625 /nfs/dbraw/zinc/21/16/25/553211625.db2.gz NWTSBIJKGLOIOF-UHFFFAOYSA-N 0 0 512.617 2.062 50 0 KEAARN COc1cccc(N2CCN(c3ccc4nnc(CCC(=O)NCc5ccc6c(c5)OCO6)n4n3)CC2)c1 ZINC000009118787 553211905 /nfs/dbraw/zinc/21/19/05/553211905.db2.gz WYNZGMLPTFPKAU-UHFFFAOYSA-N 0 0 515.574 2.437 50 0 KEAARN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)CC2)CC1 ZINC000009152176 553214023 /nfs/dbraw/zinc/21/40/23/553214023.db2.gz PPBIMJUJRBRIQM-KRWDZBQOSA-N 0 0 505.637 2.187 50 0 KEAARN CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)CC2)CC1 ZINC000009152177 553214004 /nfs/dbraw/zinc/21/40/04/553214004.db2.gz PPBIMJUJRBRIQM-QGZVFWFLSA-N 0 0 505.637 2.187 50 0 KEAARN CCN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1)c1cccc(C)c1 ZINC000009152366 553214492 /nfs/dbraw/zinc/21/44/92/553214492.db2.gz PCSKHHLODGCFGB-JOCHJYFZSA-N 0 0 508.685 2.123 50 0 KEAARN CCN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1)c1cccc(C)c1 ZINC000009152367 553214527 /nfs/dbraw/zinc/21/45/27/553214527.db2.gz PCSKHHLODGCFGB-QFIPXVFZSA-N 0 0 508.685 2.123 50 0 KEAARN NS(=O)(=O)c1ccc(CCNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc32)cc1 ZINC000009152473 553214517 /nfs/dbraw/zinc/21/45/17/553214517.db2.gz WRKKUSZQROTAOV-UHFFFAOYSA-N 0 0 508.585 2.412 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000009183510 553216795 /nfs/dbraw/zinc/21/67/95/553216795.db2.gz ZKZVMPRCHITRQU-RQLGBQGVSA-N 0 0 506.536 2.259 50 0 KEAARN CCn1cc(C(=O)N[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)no2)c(=O)c2cc3c(cc21)OCO3 ZINC000009184139 553216866 /nfs/dbraw/zinc/21/68/66/553216866.db2.gz WLKNGURJENKKHA-HNNXBMFYSA-N 0 0 503.515 2.277 50 0 KEAARN Nn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000009187635 553218065 /nfs/dbraw/zinc/21/80/65/553218065.db2.gz OEDLFBKIWZNRET-UHFFFAOYSA-N 0 0 504.985 2.081 50 0 KEAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCCSc3ncccn3)c2c(=O)[nH]c1=O ZINC000009192003 553218759 /nfs/dbraw/zinc/21/87/59/553218759.db2.gz WZGRCFBJRCHNEN-UHFFFAOYSA-N 0 0 513.027 2.376 50 0 KEAARN C[C@@H](CSc1nnnn1-c1ccccc1)Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000009243832 553227048 /nfs/dbraw/zinc/22/70/48/553227048.db2.gz JLVNJYFXOCIDLX-QGZVFWFLSA-N 0 0 517.619 2.464 50 0 KEAARN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O ZINC000009263329 553228682 /nfs/dbraw/zinc/22/86/82/553228682.db2.gz WTADQOCDVROMGR-HYARGMPZSA-N 0 0 501.543 2.340 50 0 KEAARN Cn1c2ccc(NC(=O)CSc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2n(C)c1=O ZINC000009273646 553232204 /nfs/dbraw/zinc/23/22/04/553232204.db2.gz OEJVQFPKQREYRB-UHFFFAOYSA-N 0 0 506.592 2.373 50 0 KEAARN O=C(Cn1c2cc3c(cc2c(=O)n(Cc2nc(-c4ccccc4)no2)c1=O)OCO3)NCc1ccccc1 ZINC000009274733 553232583 /nfs/dbraw/zinc/23/25/83/553232583.db2.gz UXPMHIMVLGCJSA-UHFFFAOYSA-N 0 0 511.494 2.307 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000009300052 553236007 /nfs/dbraw/zinc/23/60/07/553236007.db2.gz ZKZVMPRCHITRQU-FJWZAKCXSA-N 0 0 506.536 2.259 50 0 KEAARN CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(C)c12 ZINC000009305994 553236957 /nfs/dbraw/zinc/23/69/57/553236957.db2.gz OVZALRPWRGTIBS-DEOSSOPVSA-N 0 0 520.538 2.388 50 0 KEAARN CC(=O)Oc1cc(C)cc2oc(=O)c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(C)c12 ZINC000009305997 553236938 /nfs/dbraw/zinc/23/69/38/553236938.db2.gz OVZALRPWRGTIBS-XMMPIXPASA-N 0 0 520.538 2.388 50 0 KEAARN CCn1cc(C(=O)N[C@H](C(=O)N2CCN(c3ccccn3)CC2)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000009306038 553236979 /nfs/dbraw/zinc/23/69/79/553236979.db2.gz PVKWEHOODJWSGQ-DEOSSOPVSA-N 0 0 505.575 2.248 50 0 KEAARN COc1ccc(OC[C@@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009308689 553237474 /nfs/dbraw/zinc/23/74/74/553237474.db2.gz AMHFEUXNTMLKEI-NRFANRHFSA-N 0 0 519.602 2.331 50 0 KEAARN COc1ccc(OC[C@H](O)Cn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000009308690 553237472 /nfs/dbraw/zinc/23/74/72/553237472.db2.gz AMHFEUXNTMLKEI-OAQYLSRUSA-N 0 0 519.602 2.331 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009310609 553239113 /nfs/dbraw/zinc/23/91/13/553239113.db2.gz RMGISFRVFXLJFD-NWKGEQBZSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009310610 553239115 /nfs/dbraw/zinc/23/91/15/553239115.db2.gz RMGISFRVFXLJFD-YOKWNPFVSA-N 0 0 508.552 2.351 50 0 KEAARN CCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)s1 ZINC000009329129 553242267 /nfs/dbraw/zinc/24/22/67/553242267.db2.gz KTFDGKZTFFJYMJ-UHFFFAOYSA-N 0 0 502.018 2.014 50 0 KEAARN CCCc1nnc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)s1 ZINC000009329409 553242505 /nfs/dbraw/zinc/24/25/05/553242505.db2.gz AVXUMPTZNNDJQD-UHFFFAOYSA-N 0 0 516.045 2.404 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000009334984 553243286 /nfs/dbraw/zinc/24/32/86/553243286.db2.gz SELMPVQYOROLAA-RQLGBQGVSA-N 0 0 508.552 2.351 50 0 KEAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)oc2c1 ZINC000009341756 553243850 /nfs/dbraw/zinc/24/38/50/553243850.db2.gz CIJKUIGBELVVOD-DEOSSOPVSA-N 0 0 506.511 2.080 50 0 KEAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)oc2c1 ZINC000009341759 553243887 /nfs/dbraw/zinc/24/38/87/553243887.db2.gz CIJKUIGBELVVOD-XMMPIXPASA-N 0 0 506.511 2.080 50 0 KEAARN CCn1cc(C(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000009344016 553243896 /nfs/dbraw/zinc/24/38/96/553243896.db2.gz XHHVIZMJOPYGAR-KRWDZBQOSA-N 0 0 506.559 2.226 50 0 KEAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)C[C@H](C)O1 ZINC000009346708 553244379 /nfs/dbraw/zinc/24/43/79/553244379.db2.gz MYPVBMCDVRPVDR-GJZGRUSLSA-N 0 0 520.589 2.190 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)C[C@@H](C)O1 ZINC000009346709 553244425 /nfs/dbraw/zinc/24/44/25/553244425.db2.gz MYPVBMCDVRPVDR-HUUCEWRRSA-N 0 0 520.589 2.190 50 0 KEAARN Cc1cc(NC(=O)[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n(-c2ccccn2)n1 ZINC000009348039 553244618 /nfs/dbraw/zinc/24/46/18/553244618.db2.gz DRTZJQBMKIFFQI-IBGZPJMESA-N 0 0 510.620 2.428 50 0 KEAARN Cc1ccc(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)cc1S(=O)(=O)N1CCOCC1 ZINC000009348683 553244844 /nfs/dbraw/zinc/24/48/44/553244844.db2.gz FKKIIYMVLHCIPO-UHFFFAOYSA-N 0 0 501.605 2.174 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009348947 553244967 /nfs/dbraw/zinc/24/49/67/553244967.db2.gz PUNJXCZQSJIVPF-NWKGEQBZSA-N 0 0 510.568 2.443 50 0 KEAARN CCSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccc(F)cc1 ZINC000009369072 553249922 /nfs/dbraw/zinc/24/99/22/553249922.db2.gz ZOVCNCIFZWQMKQ-UHFFFAOYSA-N 0 0 505.597 2.469 50 0 KEAARN CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1 ZINC000009374081 553250656 /nfs/dbraw/zinc/25/06/56/553250656.db2.gz RROKOKOXDLNAJE-UHFFFAOYSA-N 0 0 515.621 2.104 50 0 KEAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NCc1ccccc1Cl ZINC000009382045 553252939 /nfs/dbraw/zinc/25/29/39/553252939.db2.gz PZBADEDJAROELB-UHFFFAOYSA-N 0 0 500.943 2.436 50 0 KEAARN O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000009382088 553252957 /nfs/dbraw/zinc/25/29/57/553252957.db2.gz ARAFDVSLZFVRCC-UHFFFAOYSA-N 0 0 500.943 2.436 50 0 KEAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000009382401 553253136 /nfs/dbraw/zinc/25/31/36/553253136.db2.gz BQNDURHRJGSWRA-UHFFFAOYSA-N 0 0 509.519 2.335 50 0 KEAARN Cn1c(=O)c2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000009382548 553253272 /nfs/dbraw/zinc/25/32/72/553253272.db2.gz GIYDOTOLRZXXIC-UHFFFAOYSA-N 0 0 520.590 2.274 50 0 KEAARN Cn1c(=O)c2c(SCC(=O)N3CCN(c4ccccc4)CC3)nc(-c3cccs3)nc2n(C)c1=O ZINC000009382550 553253277 /nfs/dbraw/zinc/25/32/77/553253277.db2.gz AILWIHSTBONHRS-UHFFFAOYSA-N 0 0 508.629 2.197 50 0 KEAARN Cc1nnc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1 ZINC000009392043 553254869 /nfs/dbraw/zinc/25/48/69/553254869.db2.gz PPRWYQCXMSGLMQ-UHFFFAOYSA-N 0 0 519.056 2.356 50 0 KEAARN Cc1ccnc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000009392066 553254898 /nfs/dbraw/zinc/25/48/98/553254898.db2.gz ZOVSXSFVDXKQGP-UHFFFAOYSA-N 0 0 527.054 2.304 50 0 KEAARN O=C(CN1C(=O)CCC1=O)NC(=S)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000009404803 553256037 /nfs/dbraw/zinc/25/60/37/553256037.db2.gz ZNAXBIKTQMBOLM-UHFFFAOYSA-N 0 0 500.343 2.377 50 0 KEAARN CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)nc1C ZINC000009404809 553255994 /nfs/dbraw/zinc/25/59/94/553255994.db2.gz HJOIPRAGQPYTMN-UHFFFAOYSA-N 0 0 510.594 2.343 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cccc(OC)c4n3C)cc2)CC1 ZINC000009404997 553256215 /nfs/dbraw/zinc/25/62/15/553256215.db2.gz WZKJBPWFEJVHOJ-GYHWCHFESA-N 0 0 518.617 2.452 50 0 KEAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)oc2c1C ZINC000009410717 553257445 /nfs/dbraw/zinc/25/74/45/553257445.db2.gz GVJXRBKIUOBWIV-DEOSSOPVSA-N 0 0 520.538 2.388 50 0 KEAARN CC(=O)Oc1ccc2c(C)c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)oc2c1C ZINC000009410718 553257526 /nfs/dbraw/zinc/25/75/26/553257526.db2.gz GVJXRBKIUOBWIV-XMMPIXPASA-N 0 0 520.538 2.388 50 0 KEAARN CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)c(=O)c2cc3c(cc21)OCO3 ZINC000009410878 553257490 /nfs/dbraw/zinc/25/74/90/553257490.db2.gz RDYSMKSDOUUNFG-QFIPXVFZSA-N 0 0 515.570 2.494 50 0 KEAARN CCn1cc(C(=O)NCCC(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000009411103 553257537 /nfs/dbraw/zinc/25/75/37/553257537.db2.gz BPJLHJVUSAJPKR-UHFFFAOYSA-N 0 0 506.559 2.227 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccc4OC)o3)cc2)CC1 ZINC000009412604 553257616 /nfs/dbraw/zinc/25/76/16/553257616.db2.gz BXFREMBFWSOCTD-UHFFFAOYSA-N 0 0 515.548 2.460 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(OC)c4)o3)cc2)CC1 ZINC000009412668 553257646 /nfs/dbraw/zinc/25/76/46/553257646.db2.gz AWTNOLLGSZIFIY-UHFFFAOYSA-N 0 0 515.548 2.460 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(OC)cc4)o3)cc2)CC1 ZINC000009412721 553257895 /nfs/dbraw/zinc/25/78/95/553257895.db2.gz VLBAXHVVDONEQQ-UHFFFAOYSA-N 0 0 515.548 2.460 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000009412829 553257892 /nfs/dbraw/zinc/25/78/92/553257892.db2.gz MAHVPMGTUILCHL-UHFFFAOYSA-N 0 0 520.564 2.290 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1 ZINC000009412910 553257866 /nfs/dbraw/zinc/25/78/66/553257866.db2.gz CXXYKCPCHKZHCW-UHFFFAOYSA-N 0 0 520.564 2.290 50 0 KEAARN CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)[C@]12c1ccccc1N(CC(=O)OCc1ccccc1)C2=O ZINC000009428355 553260383 /nfs/dbraw/zinc/26/03/83/553260383.db2.gz GYXVAKHTXGBYPL-MHZLTWQESA-N 0 0 506.511 2.225 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000009435949 553264342 /nfs/dbraw/zinc/26/43/42/553264342.db2.gz UMTTZIGMGHGZIC-JGZDWKDESA-N 0 0 506.536 2.314 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000009435950 553264344 /nfs/dbraw/zinc/26/43/44/553264344.db2.gz UMTTZIGMGHGZIC-WYWXSHKMSA-N 0 0 506.536 2.314 50 0 KEAARN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C[C@H](C)O1 ZINC000009444878 553265073 /nfs/dbraw/zinc/26/50/73/553265073.db2.gz VNSFOMHSWBLRQL-FJKVCDNZSA-N 0 0 523.658 2.182 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C[C@@H](C)O1 ZINC000009444880 553265044 /nfs/dbraw/zinc/26/50/44/553265044.db2.gz VNSFOMHSWBLRQL-MRTGLHLOSA-N 0 0 523.658 2.182 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)N1CCCC1 ZINC000009473298 553270716 /nfs/dbraw/zinc/27/07/16/553270716.db2.gz LSJANAAOLYDGBA-OALUTQOASA-N 0 0 500.621 2.199 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)N1CCCC1 ZINC000009473301 553270744 /nfs/dbraw/zinc/27/07/44/553270744.db2.gz LSJANAAOLYDGBA-MOPGFXCFSA-N 0 0 500.621 2.199 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)N1CCCC1 ZINC000009473304 553270723 /nfs/dbraw/zinc/27/07/23/553270723.db2.gz LSJANAAOLYDGBA-RBUKOAKNSA-N 0 0 500.621 2.199 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)N1CCCC1 ZINC000009473307 553270765 /nfs/dbraw/zinc/27/07/65/553270765.db2.gz LSJANAAOLYDGBA-RTBURBONSA-N 0 0 500.621 2.199 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NCc1ccco1 ZINC000009473310 553270775 /nfs/dbraw/zinc/27/07/75/553270775.db2.gz WLPSMZSEHHLNBG-PMACEKPBSA-N 0 0 526.615 2.486 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)NCc1ccco1 ZINC000009473312 553270826 /nfs/dbraw/zinc/27/08/26/553270826.db2.gz WLPSMZSEHHLNBG-VQTJNVASSA-N 0 0 526.615 2.486 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NCc1ccco1 ZINC000009473316 553270818 /nfs/dbraw/zinc/27/08/18/553270818.db2.gz WLPSMZSEHHLNBG-UXHICEINSA-N 0 0 526.615 2.486 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)NCc1ccco1 ZINC000009473319 553270878 /nfs/dbraw/zinc/27/08/78/553270878.db2.gz WLPSMZSEHHLNBG-WOJBJXKFSA-N 0 0 526.615 2.486 50 0 KEAARN COCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000009473681 553271246 /nfs/dbraw/zinc/27/12/46/553271246.db2.gz DMOICFUOGXEWKS-UHFFFAOYSA-N 0 0 526.615 2.255 50 0 KEAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 ZINC000009475056 553271962 /nfs/dbraw/zinc/27/19/62/553271962.db2.gz UJPPSFZKOVEHEO-IBGZPJMESA-N 0 0 512.632 2.359 50 0 KEAARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 ZINC000009475057 553271995 /nfs/dbraw/zinc/27/19/95/553271995.db2.gz UJPPSFZKOVEHEO-LJQANCHMSA-N 0 0 512.632 2.359 50 0 KEAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)NCCc2ccccc2)C1 ZINC000009475094 553271945 /nfs/dbraw/zinc/27/19/45/553271945.db2.gz MNFHYUAGPVWNDD-UHFFFAOYSA-N 0 0 502.596 2.477 50 0 KEAARN COC(=O)c1sccc1NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000009490477 553273940 /nfs/dbraw/zinc/27/39/40/553273940.db2.gz AQTUGNNEAVEPAB-UHFFFAOYSA-N 0 0 507.590 2.464 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCc1ccc2c(c1)OCO2 ZINC000009490484 553273916 /nfs/dbraw/zinc/27/39/16/553273916.db2.gz VWCFFHHFPZRFFS-UHFFFAOYSA-N 0 0 501.561 2.022 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4ccc(F)cc4)cc3c2O)CC1 ZINC000009490572 553273898 /nfs/dbraw/zinc/27/38/98/553273898.db2.gz QNDXWAUCCGBPNA-UHFFFAOYSA-N 0 0 516.551 2.407 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@H]1c1ccccc1 ZINC000009494220 553274312 /nfs/dbraw/zinc/27/43/12/553274312.db2.gz OMOYNYMNDRAHLA-VZCCSQPZSA-N 0 0 510.369 2.493 50 0 KEAARN COCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1SCc1cccc(OC)c1OC ZINC000009497080 553274553 /nfs/dbraw/zinc/27/45/53/553274553.db2.gz CZTZZCJOGCLTHR-UHFFFAOYSA-N 0 0 510.634 2.393 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2sc3ncn(CC(=O)Nc4ccccc4OC)c(=O)c3c2C)CC1 ZINC000009499135 553274988 /nfs/dbraw/zinc/27/49/88/553274988.db2.gz OEAMXCVUILWVAH-UHFFFAOYSA-N 0 0 513.576 2.328 50 0 KEAARN Cc1ccc2cc(CCNC(=O)C(=O)c3cn(CC(=O)N4CCOCC4)c4ccccc34)c(=O)[nH]c2c1 ZINC000009519413 553276523 /nfs/dbraw/zinc/27/65/23/553276523.db2.gz VGLLHEWLZKEBQM-UHFFFAOYSA-N 0 0 500.555 2.192 50 0 KEAARN COc1ccc(CCNC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1OC ZINC000009519657 553276536 /nfs/dbraw/zinc/27/65/36/553276536.db2.gz WPWUNEGXFKACSB-UHFFFAOYSA-N 0 0 513.616 2.414 50 0 KEAARN CCOC(=O)c1ccccc1NC(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000009519767 553276723 /nfs/dbraw/zinc/27/67/23/553276723.db2.gz LSJJSQGTSUSZKY-UHFFFAOYSA-N 0 0 513.572 2.089 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 ZINC000009519768 553276742 /nfs/dbraw/zinc/27/67/42/553276742.db2.gz JXFYZSCLJNVMJR-UHFFFAOYSA-N 0 0 513.572 2.089 50 0 KEAARN COc1cc(OC)cc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 ZINC000009525903 553276854 /nfs/dbraw/zinc/27/68/54/553276854.db2.gz HRBFTCSOOVVAPG-CQSZACIVSA-N 0 0 505.911 2.041 50 0 KEAARN COc1cc(OC)cc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3OC)CC2=O)c1 ZINC000009525904 553276860 /nfs/dbraw/zinc/27/68/60/553276860.db2.gz HRBFTCSOOVVAPG-AWEZNQCLSA-N 0 0 505.911 2.041 50 0 KEAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3ccccc3OC)CC1)c2=O ZINC000009529813 553277364 /nfs/dbraw/zinc/27/73/64/553277364.db2.gz LOAIMLWXTWKTRP-UHFFFAOYSA-N 0 0 508.575 2.394 50 0 KEAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(OC)c3)CC1)c2=O ZINC000009529817 553277330 /nfs/dbraw/zinc/27/73/30/553277330.db2.gz UVVFFASQQRGRRB-UHFFFAOYSA-N 0 0 508.575 2.394 50 0 KEAARN COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n(Cc2ccc4c(c2)OCO4)c3=O)CC1 ZINC000009529840 553277272 /nfs/dbraw/zinc/27/72/72/553277272.db2.gz FVXHYLYYZWGIBE-UHFFFAOYSA-N 0 0 514.538 2.438 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N3CCC(C)CC3)c3ccccc3c2=O)C1 ZINC000009559329 553279520 /nfs/dbraw/zinc/27/95/20/553279520.db2.gz GXURPMCMKVCRKS-LJQANCHMSA-N 0 0 503.621 2.224 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(S(=O)(=O)N3CCC(C)CC3)c3ccccc3c2=O)C1 ZINC000009559330 553279577 /nfs/dbraw/zinc/27/95/77/553279577.db2.gz GXURPMCMKVCRKS-IBGZPJMESA-N 0 0 503.621 2.224 50 0 KEAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c3ccccc32)CC1 ZINC000009559334 553279586 /nfs/dbraw/zinc/27/95/86/553279586.db2.gz XKKAHOPCQYQPGZ-LJQANCHMSA-N 0 0 511.600 2.378 50 0 KEAARN CC1CCN(S(=O)(=O)c2cn(CC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c3ccccc32)CC1 ZINC000009559335 553279504 /nfs/dbraw/zinc/27/95/04/553279504.db2.gz XKKAHOPCQYQPGZ-IBGZPJMESA-N 0 0 511.600 2.378 50 0 KEAARN COc1ccc(Br)c(C(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)c(=O)n3C)c1 ZINC000009561429 553281250 /nfs/dbraw/zinc/28/12/50/553281250.db2.gz AMJXNHZTFBXUMT-UHFFFAOYSA-N 0 0 503.353 2.097 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCN2CCN(c3ccccc3F)CC2)CC1 ZINC000009561627 553281334 /nfs/dbraw/zinc/28/13/34/553281334.db2.gz IDTKPJXRKHVMQD-UHFFFAOYSA-N 0 0 507.632 2.160 50 0 KEAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn32)cc1 ZINC000009578624 553281881 /nfs/dbraw/zinc/28/18/81/553281881.db2.gz XTRLJUXFNSVHEU-UHFFFAOYSA-N 0 0 520.571 2.243 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=O)[nH]c4cc(OCC)c(OCC)cc4c3=O)cc2)CC1 ZINC000009589732 553282804 /nfs/dbraw/zinc/28/28/04/553282804.db2.gz IDIONVHMOLDPHG-UHFFFAOYSA-N 0 0 524.574 2.450 50 0 KEAARN CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCCN4CCCC4=O)cc3)c(=O)c2cc1OCC ZINC000009589736 553282769 /nfs/dbraw/zinc/28/27/69/553282769.db2.gz OUBXRPIJKCYKBE-UHFFFAOYSA-N 0 0 508.575 2.278 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O)NCCc1ccc(Cl)cc1 ZINC000009589810 553282796 /nfs/dbraw/zinc/28/27/96/553282796.db2.gz VBWYQXYSUVMNMJ-NRFANRHFSA-N 0 0 527.021 2.251 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC[C@H]2CCCO2)c1=O)NCCc1ccc(Cl)cc1 ZINC000009589817 553282810 /nfs/dbraw/zinc/28/28/10/553282810.db2.gz VBWYQXYSUVMNMJ-OAQYLSRUSA-N 0 0 527.021 2.251 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)CCCCn2c(=O)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1 ZINC000009589864 553282832 /nfs/dbraw/zinc/28/28/32/553282832.db2.gz OUCYKCXRYAXSPX-UHFFFAOYSA-N 0 0 504.584 2.395 50 0 KEAARN COc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1OC ZINC000009591397 553283222 /nfs/dbraw/zinc/28/32/22/553283222.db2.gz KDDRNJMUBWMRJH-OAHLLOKOSA-N 0 0 505.321 2.386 50 0 KEAARN COc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc(Br)cc3)CC2=O)cc1OC ZINC000009591405 553283163 /nfs/dbraw/zinc/28/31/63/553283163.db2.gz KDDRNJMUBWMRJH-HNNXBMFYSA-N 0 0 505.321 2.386 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1 ZINC000009597798 553283966 /nfs/dbraw/zinc/28/39/66/553283966.db2.gz SKHYVVXBNHZMGV-UHFFFAOYSA-N 0 0 521.642 2.171 50 0 KEAARN C[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000009598748 553284839 /nfs/dbraw/zinc/28/48/39/553284839.db2.gz XJXDXOZYDLKJEG-QGZVFWFLSA-N 0 0 526.615 2.451 50 0 KEAARN C[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000009598749 553284881 /nfs/dbraw/zinc/28/48/81/553284881.db2.gz XJXDXOZYDLKJEG-KRWDZBQOSA-N 0 0 526.615 2.451 50 0 KEAARN Cc1cccc2nc(Cn3c4ccsc4c(=O)n(CCCC(=O)NCc4ccco4)c3=O)cc(=O)n12 ZINC000009598764 553284829 /nfs/dbraw/zinc/28/48/29/553284829.db2.gz YXWNLDYYCVLOJP-UHFFFAOYSA-N 0 0 505.556 2.279 50 0 KEAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000009598796 553284834 /nfs/dbraw/zinc/28/48/34/553284834.db2.gz OUJRTQOCHCLXBB-UHFFFAOYSA-N 0 0 530.647 2.249 50 0 KEAARN Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000009598809 553284961 /nfs/dbraw/zinc/28/49/61/553284961.db2.gz SMBWNSUNEZPSAZ-UHFFFAOYSA-N 0 0 520.567 2.259 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)N3CCCC[C@H]3C)c2=O)cc1OC ZINC000009598823 553284955 /nfs/dbraw/zinc/28/49/55/553284955.db2.gz MPLBQEHGFVXMCF-QGZVFWFLSA-N 0 0 528.631 2.002 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)N3CCCC[C@@H]3C)c2=O)cc1OC ZINC000009598824 553284981 /nfs/dbraw/zinc/28/49/81/553284981.db2.gz MPLBQEHGFVXMCF-KRWDZBQOSA-N 0 0 528.631 2.002 50 0 KEAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)c(OC)c1 ZINC000009598841 553284930 /nfs/dbraw/zinc/28/49/30/553284930.db2.gz NDABVWASPLIVLH-UHFFFAOYSA-N 0 0 522.583 2.240 50 0 KEAARN COc1cc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)cc(OC)c1 ZINC000009598843 553284942 /nfs/dbraw/zinc/28/49/42/553284942.db2.gz XEYWFYYULUDRCY-UHFFFAOYSA-N 0 0 522.583 2.240 50 0 KEAARN O=C(Cn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccccc1Cl ZINC000009598876 553284910 /nfs/dbraw/zinc/28/49/10/553284910.db2.gz RQPZBMNMYRJXRQ-UHFFFAOYSA-N 0 0 507.959 2.251 50 0 KEAARN O=C(CCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccccc1 ZINC000009598948 553285292 /nfs/dbraw/zinc/28/52/92/553285292.db2.gz HPLOYCSMYVDPOA-UHFFFAOYSA-N 0 0 501.568 2.378 50 0 KEAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c2=O)n[nH]1 ZINC000009599430 553285501 /nfs/dbraw/zinc/28/55/01/553285501.db2.gz HEEOPABEFRFDOI-UHFFFAOYSA-N 0 0 512.526 2.405 50 0 KEAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(C)cc3)c2=O)n[nH]1 ZINC000009599432 553285494 /nfs/dbraw/zinc/28/54/94/553285494.db2.gz HVFSSWKHZSMOAM-UHFFFAOYSA-N 0 0 502.575 2.281 50 0 KEAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCCc3ccccc3)c2=O)n[nH]1 ZINC000009599434 553285484 /nfs/dbraw/zinc/28/54/84/553285484.db2.gz HOOQYAURCMGVLE-UHFFFAOYSA-N 0 0 502.575 2.363 50 0 KEAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CCCC4)cc3)c2=O)n[nH]1 ZINC000009599436 553285729 /nfs/dbraw/zinc/28/57/29/553285729.db2.gz NJUGZZPOHDKRHQ-UHFFFAOYSA-N 0 0 500.559 2.424 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)NC)CCC4)cc2)CC1 ZINC000009599750 553285667 /nfs/dbraw/zinc/28/56/67/553285667.db2.gz LQJPZKGBHASRFL-UHFFFAOYSA-N 0 0 520.633 2.312 50 0 KEAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)NC[C@@H]1CCCO1 ZINC000009600060 553285908 /nfs/dbraw/zinc/28/59/08/553285908.db2.gz PDBZGTITAIWUQU-INIZCTEOSA-N 0 0 525.678 2.352 50 0 KEAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1)NC[C@H]1CCCO1 ZINC000009600061 553285914 /nfs/dbraw/zinc/28/59/14/553285914.db2.gz PDBZGTITAIWUQU-MRXNPFEDSA-N 0 0 525.678 2.352 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCC(=O)NCCc3ccccc3)s2)cc1 ZINC000009600154 553285916 /nfs/dbraw/zinc/28/59/16/553285916.db2.gz BOPNQJAATVNGRR-UHFFFAOYSA-N 0 0 505.647 2.492 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000009608162 553287529 /nfs/dbraw/zinc/28/75/29/553287529.db2.gz KCGATMCVTHJVOY-UHFFFAOYSA-N 0 0 517.633 2.354 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)CC1 ZINC000009610624 553288657 /nfs/dbraw/zinc/28/86/57/553288657.db2.gz GVDUKCWDYFAFEB-DEOSSOPVSA-N 0 0 522.583 2.169 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)CC1 ZINC000009610625 553288741 /nfs/dbraw/zinc/28/87/41/553288741.db2.gz GVDUKCWDYFAFEB-XMMPIXPASA-N 0 0 522.583 2.169 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000009611352 553289080 /nfs/dbraw/zinc/28/90/80/553289080.db2.gz AFZYKSWXEKJOEF-HSZRJFAPSA-N 0 0 513.616 2.263 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000009611353 553289072 /nfs/dbraw/zinc/28/90/72/553289072.db2.gz AFZYKSWXEKJOEF-QHCPKHFHSA-N 0 0 513.616 2.263 50 0 KEAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2ccccn2)CC1 ZINC000009611398 553289078 /nfs/dbraw/zinc/28/90/78/553289078.db2.gz PRQSYXXXXZAYIU-DEOSSOPVSA-N 0 0 519.627 2.205 50 0 KEAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)N1CCN(c2ccccn2)CC1 ZINC000009611399 553289059 /nfs/dbraw/zinc/28/90/59/553289059.db2.gz PRQSYXXXXZAYIU-XMMPIXPASA-N 0 0 519.627 2.205 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000009611428 553289082 /nfs/dbraw/zinc/28/90/82/553289082.db2.gz WKXVYUVJFLBYEG-NFBKMPQASA-N 0 0 513.616 2.263 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000009611429 553289061 /nfs/dbraw/zinc/28/90/61/553289061.db2.gz WKXVYUVJFLBYEG-NZQKXSOJSA-N 0 0 513.616 2.263 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000009611430 553289063 /nfs/dbraw/zinc/28/90/63/553289063.db2.gz WKXVYUVJFLBYEG-OFNKIYASSA-N 0 0 513.616 2.263 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000009611431 553289067 /nfs/dbraw/zinc/28/90/67/553289067.db2.gz WKXVYUVJFLBYEG-REWPJTCUSA-N 0 0 513.616 2.263 50 0 KEAARN O=C(NC[C@@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611474 553289206 /nfs/dbraw/zinc/28/92/06/553289206.db2.gz VDCTVRUXGUFWED-OFNKIYASSA-N 0 0 521.595 2.417 50 0 KEAARN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611475 553289265 /nfs/dbraw/zinc/28/92/65/553289265.db2.gz VDCTVRUXGUFWED-NFBKMPQASA-N 0 0 521.595 2.417 50 0 KEAARN O=C(NC[C@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611476 553289231 /nfs/dbraw/zinc/28/92/31/553289231.db2.gz VDCTVRUXGUFWED-REWPJTCUSA-N 0 0 521.595 2.417 50 0 KEAARN O=C(NC[C@H]1COc2ccccc2O1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000009611477 553289250 /nfs/dbraw/zinc/28/92/50/553289250.db2.gz VDCTVRUXGUFWED-NZQKXSOJSA-N 0 0 521.595 2.417 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccco2)c1=O ZINC000009616328 553290693 /nfs/dbraw/zinc/29/06/93/553290693.db2.gz QUPKDIPQSAEUEJ-UHFFFAOYSA-N 0 0 518.526 2.278 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000009616371 553290836 /nfs/dbraw/zinc/29/08/36/553290836.db2.gz YGOCXCHCSHPVMW-UHFFFAOYSA-N 0 0 506.559 2.047 50 0 KEAARN COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O ZINC000009616416 553290815 /nfs/dbraw/zinc/29/08/15/553290815.db2.gz DOHTVSOWCAWSQX-UHFFFAOYSA-N 0 0 504.543 2.178 50 0 KEAARN COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O ZINC000009616423 553290810 /nfs/dbraw/zinc/29/08/10/553290810.db2.gz USUQMVRQKABRLN-UHFFFAOYSA-N 0 0 525.565 2.325 50 0 KEAARN COCCCNC(=O)CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000009616599 553290971 /nfs/dbraw/zinc/29/09/71/553290971.db2.gz ZZSPCKCJNYEKQZ-UHFFFAOYSA-N 0 0 516.982 2.397 50 0 KEAARN CCN(CC)C(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000009616864 553291041 /nfs/dbraw/zinc/29/10/41/553291041.db2.gz UKRMWXDRWYODME-UHFFFAOYSA-N 0 0 508.575 2.247 50 0 KEAARN COCCCNC(=O)Cn1c2ccccc2c(=O)n(CC2CCC(C(=O)NCCc3ccccc3)CC2)c1=O ZINC000009617226 553291394 /nfs/dbraw/zinc/29/13/94/553291394.db2.gz ZECPTFLWINKSNK-UHFFFAOYSA-N 0 0 534.657 2.481 50 0 KEAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000009617303 553291504 /nfs/dbraw/zinc/29/15/04/553291504.db2.gz ZORODKPTMBBILP-UHFFFAOYSA-N 0 0 506.603 2.427 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(Cc3ccco3)c2=O)cc1OC ZINC000009617396 553291516 /nfs/dbraw/zinc/29/15/16/553291516.db2.gz REELQMUZLBLKDK-UHFFFAOYSA-N 0 0 523.542 2.198 50 0 KEAARN COCCNC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccc(C)cc3)cc2)c1=O ZINC000009617631 553291740 /nfs/dbraw/zinc/29/17/40/553291740.db2.gz BCNFNMIAAKAPCF-UHFFFAOYSA-N 0 0 514.582 2.213 50 0 KEAARN CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)nn1 ZINC000009626946 553291868 /nfs/dbraw/zinc/29/18/68/553291868.db2.gz FXMDRGDFMCDKNX-UHFFFAOYSA-N 0 0 516.601 2.210 50 0 KEAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636355 553292141 /nfs/dbraw/zinc/29/21/41/553292141.db2.gz DIZIGWYKNXXSPM-FDDCHVKYSA-N 0 0 520.611 2.004 50 0 KEAARN C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636356 553292100 /nfs/dbraw/zinc/29/21/00/553292100.db2.gz DIZIGWYKNXXSPM-WZONZLPQSA-N 0 0 520.611 2.004 50 0 KEAARN C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636357 553292144 /nfs/dbraw/zinc/29/21/44/553292144.db2.gz DIZIGWYKNXXSPM-MBSDFSHPSA-N 0 0 520.611 2.004 50 0 KEAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636358 553292127 /nfs/dbraw/zinc/29/21/27/553292127.db2.gz DIZIGWYKNXXSPM-JPYJTQIMSA-N 0 0 520.611 2.004 50 0 KEAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1C ZINC000009636359 553292103 /nfs/dbraw/zinc/29/21/03/553292103.db2.gz FUBFSZVTMCNFLR-HSZRJFAPSA-N 0 0 520.611 2.382 50 0 KEAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1C ZINC000009636360 553292151 /nfs/dbraw/zinc/29/21/51/553292151.db2.gz FUBFSZVTMCNFLR-QHCPKHFHSA-N 0 0 520.611 2.382 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)NCCC3=CCCCC3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636386 553292330 /nfs/dbraw/zinc/29/23/30/553292330.db2.gz AZWOKKYHMYRXCP-QHCPKHFHSA-N 0 0 510.616 2.264 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)NC3CCCCCCC3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636402 553292264 /nfs/dbraw/zinc/29/22/64/553292264.db2.gz LOCFHNKICGTCPX-QHCPKHFHSA-N 0 0 512.632 2.486 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCCCC3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636404 553292299 /nfs/dbraw/zinc/29/22/99/553292299.db2.gz LOCFHNKICGTCPX-HSZRJFAPSA-N 0 0 512.632 2.486 50 0 KEAARN CCc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636408 553292305 /nfs/dbraw/zinc/29/23/05/553292305.db2.gz YVZCBTQHIVZHGU-QHCPKHFHSA-N 0 0 506.584 2.458 50 0 KEAARN CCOc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000009636417 553292293 /nfs/dbraw/zinc/29/22/93/553292293.db2.gz BEHHCGNCGXXRHN-HSZRJFAPSA-N 0 0 522.583 2.294 50 0 KEAARN CCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000009636418 553292318 /nfs/dbraw/zinc/29/23/18/553292318.db2.gz BEHHCGNCGXXRHN-QHCPKHFHSA-N 0 0 522.583 2.294 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)NCCCc3ccccc3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636419 553292335 /nfs/dbraw/zinc/29/23/35/553292335.db2.gz GWRLIENQDJGUME-DEOSSOPVSA-N 0 0 520.611 2.006 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCCCc3ccccc3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636421 553292315 /nfs/dbraw/zinc/29/23/15/553292315.db2.gz GWRLIENQDJGUME-XMMPIXPASA-N 0 0 520.611 2.006 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@H](C(=O)N3CCCc4ccccc43)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000009636428 553292334 /nfs/dbraw/zinc/29/23/34/553292334.db2.gz FXEFMRIBNMDCDN-DEOSSOPVSA-N 0 0 518.595 2.236 50 0 KEAARN C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1)c1ccccc1 ZINC000009636430 553292495 /nfs/dbraw/zinc/29/24/95/553292495.db2.gz QDQRNJWXBWCRGR-SBUREZEXSA-N 0 0 506.584 2.134 50 0 KEAARN C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1)c1ccccc1 ZINC000009636432 553292462 /nfs/dbraw/zinc/29/24/62/553292462.db2.gz QDQRNJWXBWCRGR-HXOBKFHXSA-N 0 0 506.584 2.134 50 0 KEAARN CC(C)CN(CC(C)C)C(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636440 553292472 /nfs/dbraw/zinc/29/24/72/553292472.db2.gz WFSHIHSVSBSZGR-HSZRJFAPSA-N 0 0 514.648 2.397 50 0 KEAARN CC(C)CN(CC(C)C)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636441 553292478 /nfs/dbraw/zinc/29/24/78/553292478.db2.gz WFSHIHSVSBSZGR-QHCPKHFHSA-N 0 0 514.648 2.397 50 0 KEAARN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1F ZINC000009636448 553292440 /nfs/dbraw/zinc/29/24/40/553292440.db2.gz HEAPECRGFXNCRA-JOCHJYFZSA-N 0 0 510.547 2.343 50 0 KEAARN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1F ZINC000009636449 553292497 /nfs/dbraw/zinc/29/24/97/553292497.db2.gz HEAPECRGFXNCRA-QFIPXVFZSA-N 0 0 510.547 2.343 50 0 KEAARN CCOc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000009636450 553292508 /nfs/dbraw/zinc/29/25/08/553292508.db2.gz HEPOKHAOTKFEEB-HSZRJFAPSA-N 0 0 522.583 2.294 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000009659574 553293010 /nfs/dbraw/zinc/29/30/10/553293010.db2.gz BTMYUSNNEWJLMC-FGZHOGPDSA-N 0 0 508.622 2.171 50 0 KEAARN COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc(OC)c1OC ZINC000009673833 553294499 /nfs/dbraw/zinc/29/44/99/553294499.db2.gz IAAIBNHRBKWOCK-UHFFFAOYSA-N 0 0 527.603 2.466 50 0 KEAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cc(OC)c1OC ZINC000009673850 553294541 /nfs/dbraw/zinc/29/45/41/553294541.db2.gz ZNZJJUWMKBUXAJ-UHFFFAOYSA-N 0 0 502.505 2.485 50 0 KEAARN COc1cc(C(=O)NCc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)o2)cc(OC)c1OC ZINC000009673869 553294535 /nfs/dbraw/zinc/29/45/35/553294535.db2.gz YMALIBYLFAZASS-UHFFFAOYSA-N 0 0 516.532 2.163 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)ccc21 ZINC000009677236 553295066 /nfs/dbraw/zinc/29/50/66/553295066.db2.gz SBGXTBIPBWUTLL-UHFFFAOYSA-N 0 0 502.545 2.361 50 0 KEAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc54)CC3)CC2)c1 ZINC000009677386 553295370 /nfs/dbraw/zinc/29/53/70/553295370.db2.gz DTLOIJILWLIIQU-UHFFFAOYSA-N 0 0 501.634 2.449 50 0 KEAARN CCOc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(OC)c3)c2N)cc1OCC ZINC000009678070 553295377 /nfs/dbraw/zinc/29/53/77/553295377.db2.gz YZZAPPJOQRCWIH-UHFFFAOYSA-N 0 0 512.567 2.286 50 0 KEAARN COc1ccc(CCNC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)cc1OC ZINC000009678087 553295383 /nfs/dbraw/zinc/29/53/83/553295383.db2.gz YREULWOBWGEPBJ-UHFFFAOYSA-N 0 0 503.357 2.251 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000009678315 553295371 /nfs/dbraw/zinc/29/53/71/553295371.db2.gz OODQWIFZOLOKDE-UHFFFAOYSA-N 0 0 520.611 2.076 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C(C)C)CC2)c1 ZINC000009682182 553297172 /nfs/dbraw/zinc/29/71/72/553297172.db2.gz KPMJQHNQBBQALO-VWLOTQADSA-N 0 0 514.648 2.256 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)C(C)C)CC2)c1 ZINC000009682184 553297155 /nfs/dbraw/zinc/29/71/55/553297155.db2.gz KPMJQHNQBBQALO-RUZDIDTESA-N 0 0 514.648 2.256 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C(C)C)ccc21 ZINC000009682193 553297444 /nfs/dbraw/zinc/29/74/44/553297444.db2.gz ZMATVDFQXUIIGR-DEOSSOPVSA-N 0 0 502.612 2.386 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C(C)C)ccc21 ZINC000009682194 553297405 /nfs/dbraw/zinc/29/74/05/553297405.db2.gz ZMATVDFQXUIIGR-XMMPIXPASA-N 0 0 502.612 2.386 50 0 KEAARN Cn1c2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c(N3CCCCC3)cc2n(C)c(=O)c1=O ZINC000009686028 553297422 /nfs/dbraw/zinc/29/74/22/553297422.db2.gz AUABQNRCQJJJRB-UHFFFAOYSA-N 0 0 511.604 2.155 50 0 KEAARN COc1ccc(-n2ccn3c(CCC(=O)N4CCN(c5ccc(C(C)=O)cc5)CC4)nnc3c2=O)cc1 ZINC000009688368 553297354 /nfs/dbraw/zinc/29/73/54/553297354.db2.gz YEHKPLCUIGWZES-UHFFFAOYSA-N 0 0 500.559 2.373 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)C(C)C)CC1 ZINC000009692146 553297585 /nfs/dbraw/zinc/29/75/85/553297585.db2.gz NEOIKJJKIXLTJQ-QFIPXVFZSA-N 0 0 508.641 2.026 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)C(C)C)CC1 ZINC000009692147 553297607 /nfs/dbraw/zinc/29/76/07/553297607.db2.gz NEOIKJJKIXLTJQ-JOCHJYFZSA-N 0 0 508.641 2.026 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)C(C)C)ccc21 ZINC000009692156 553297622 /nfs/dbraw/zinc/29/76/22/553297622.db2.gz DQXCSJWRDGDFBB-KOSHJBKYSA-N 0 0 501.605 2.245 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)C(C)C)ccc21 ZINC000009692157 553297648 /nfs/dbraw/zinc/29/76/48/553297648.db2.gz DQXCSJWRDGDFBB-HOYKHHGWSA-N 0 0 501.605 2.245 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)NC[C@H]3COc4ccccc4O3)C(C)C)ccc21 ZINC000009692158 553297614 /nfs/dbraw/zinc/29/76/14/553297614.db2.gz DQXCSJWRDGDFBB-UUOWRZLLSA-N 0 0 501.605 2.245 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)C(C)C)ccc21 ZINC000009692159 553297635 /nfs/dbraw/zinc/29/76/35/553297635.db2.gz DQXCSJWRDGDFBB-MHECFPHRSA-N 0 0 501.605 2.245 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1 ZINC000009692186 553297629 /nfs/dbraw/zinc/29/76/29/553297629.db2.gz RNYFNUHRLIJXDE-NRFANRHFSA-N 0 0 507.653 2.480 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CC1 ZINC000009692187 553297620 /nfs/dbraw/zinc/29/76/20/553297620.db2.gz RNYFNUHRLIJXDE-OAQYLSRUSA-N 0 0 507.653 2.480 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)CC1 ZINC000009692563 553297887 /nfs/dbraw/zinc/29/78/87/553297887.db2.gz KTLBTVDHAQYSKK-FQEVSTJZSA-N 0 0 511.585 2.289 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)CC1 ZINC000009692564 553297913 /nfs/dbraw/zinc/29/79/13/553297913.db2.gz KTLBTVDHAQYSKK-HXUWFJFHSA-N 0 0 511.585 2.289 50 0 KEAARN Cc1cc(NC(=O)Cn2c3cc(C(=O)NC4CCCCC4)ccc3c(=O)n(C[C@@H]3CCCO3)c2=O)n[nH]1 ZINC000009692737 553298273 /nfs/dbraw/zinc/29/82/73/553298273.db2.gz BTMDANMUOMTNGZ-IBGZPJMESA-N 0 0 508.579 2.075 50 0 KEAARN Cc1cc(NC(=O)Cn2c3cc(C(=O)NC4CCCCC4)ccc3c(=O)n(C[C@H]3CCCO3)c2=O)n[nH]1 ZINC000009693193 553298490 /nfs/dbraw/zinc/29/84/90/553298490.db2.gz BTMDANMUOMTNGZ-LJQANCHMSA-N 0 0 508.579 2.075 50 0 KEAARN CCN(CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)c1ccccc1 ZINC000009693838 553299018 /nfs/dbraw/zinc/29/90/18/553299018.db2.gz NULPSHFTNLDHQX-UHFFFAOYSA-N 0 0 512.632 2.299 50 0 KEAARN CCn1cc(C(=O)NCCCN(C)c2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009693839 553299029 /nfs/dbraw/zinc/29/90/29/553299029.db2.gz HNOWWCALKYRVMD-UHFFFAOYSA-N 0 0 512.632 2.299 50 0 KEAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 ZINC000009722481 553301148 /nfs/dbraw/zinc/30/11/48/553301148.db2.gz WRQSFEBSDWRBMG-YVMONPNESA-N 0 0 516.620 2.287 50 0 KEAARN COc1ccc(N(CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723553 553301256 /nfs/dbraw/zinc/30/12/56/553301256.db2.gz PPNMLRYOOYJIME-MOPGFXCFSA-N 0 0 512.588 2.303 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCCCC4)cc3c2=O)CC1 ZINC000009724767 553301522 /nfs/dbraw/zinc/30/15/22/553301522.db2.gz VRYBXCJMGCNHFM-UHFFFAOYSA-N 0 0 504.609 2.018 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)CC1 ZINC000009724842 553301516 /nfs/dbraw/zinc/30/15/16/553301516.db2.gz WOHVCSTZILCJFY-UHFFFAOYSA-N 0 0 518.636 2.406 50 0 KEAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCN1CCCC1=O)cn2C ZINC000009724982 553301497 /nfs/dbraw/zinc/30/14/97/553301497.db2.gz NCMYJVIPXJWUPH-UHFFFAOYSA-N 0 0 502.637 2.234 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)C1 ZINC000009725208 553301785 /nfs/dbraw/zinc/30/17/85/553301785.db2.gz BTOSUTVLMJCNHB-GOSISDBHSA-N 0 0 503.621 2.374 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)C1 ZINC000009725213 553301800 /nfs/dbraw/zinc/30/18/00/553301800.db2.gz BTOSUTVLMJCNHB-SFHVURJKSA-N 0 0 503.621 2.374 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCCC4)cc3c2=O)CC1 ZINC000009725794 553301784 /nfs/dbraw/zinc/30/17/84/553301784.db2.gz NBIAZXRSUQLPQW-UHFFFAOYSA-N 0 0 504.609 2.110 50 0 KEAARN CCn1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009726050 553301966 /nfs/dbraw/zinc/30/19/66/553301966.db2.gz HSKDHCRQOPBZLM-KRWDZBQOSA-N 0 0 527.599 2.305 50 0 KEAARN CCn1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009726057 553301880 /nfs/dbraw/zinc/30/18/80/553301880.db2.gz HSKDHCRQOPBZLM-QGZVFWFLSA-N 0 0 527.599 2.305 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1 ZINC000009726393 553301866 /nfs/dbraw/zinc/30/18/66/553301866.db2.gz UOFZKMNBJKZXRF-UHFFFAOYSA-N 0 0 518.636 2.356 50 0 KEAARN CCn1cc(C(=O)NCCCN2CCCC2=O)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000009730899 553302266 /nfs/dbraw/zinc/30/22/66/553302266.db2.gz RWNNEJYRJYKEDM-UHFFFAOYSA-N 0 0 502.637 2.184 50 0 KEAARN O=C(NCCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000009761132 553302899 /nfs/dbraw/zinc/30/28/99/553302899.db2.gz NCSSTGAWLJFYRJ-DEOSSOPVSA-N 0 0 513.641 2.109 50 0 KEAARN COc1cc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000009761254 553303092 /nfs/dbraw/zinc/30/30/92/553303092.db2.gz DBFFBPTUNUPMJB-FNORWQNLSA-N 0 0 504.425 2.044 50 0 KEAARN CCOc1cccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)CCCNC(C)=O)c1 ZINC000009763614 553303387 /nfs/dbraw/zinc/30/33/87/553303387.db2.gz FKPTYVDANPWIMW-JOCHJYFZSA-N 0 0 525.631 2.359 50 0 KEAARN CCOc1cccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)CCCNC(C)=O)c1 ZINC000009763615 553303408 /nfs/dbraw/zinc/30/34/08/553303408.db2.gz FKPTYVDANPWIMW-QFIPXVFZSA-N 0 0 525.631 2.359 50 0 KEAARN O=C(N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000009764117 553303522 /nfs/dbraw/zinc/30/35/22/553303522.db2.gz MEGUKHBKRPVUNY-HXUWFJFHSA-N 0 0 505.936 2.040 50 0 KEAARN O=C(N[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000009764118 553303494 /nfs/dbraw/zinc/30/34/94/553303494.db2.gz MEGUKHBKRPVUNY-FQEVSTJZSA-N 0 0 505.936 2.040 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009764133 553303501 /nfs/dbraw/zinc/30/35/01/553303501.db2.gz DNPZSDFWCTUMAA-NRFANRHFSA-N 0 0 501.586 2.164 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccs2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009764134 553303543 /nfs/dbraw/zinc/30/35/43/553303543.db2.gz DNPZSDFWCTUMAA-OAQYLSRUSA-N 0 0 501.586 2.164 50 0 KEAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009764143 553303520 /nfs/dbraw/zinc/30/35/20/553303520.db2.gz JBFVHXKRCJKUFK-XMMPIXPASA-N 0 0 509.584 2.411 50 0 KEAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009764144 553303523 /nfs/dbraw/zinc/30/35/23/553303523.db2.gz JBFVHXKRCJKUFK-DEOSSOPVSA-N 0 0 509.584 2.411 50 0 KEAARN CCCC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009764211 553303796 /nfs/dbraw/zinc/30/37/96/553303796.db2.gz KKLYRJWXCSPLBW-DEOSSOPVSA-N 0 0 501.605 2.004 50 0 KEAARN CCCC(=O)N1CCN(C(=O)[C@H](NC(=O)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009764212 553303767 /nfs/dbraw/zinc/30/37/67/553303767.db2.gz KKLYRJWXCSPLBW-XMMPIXPASA-N 0 0 501.605 2.004 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2cccc(C)c2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000009764256 553303787 /nfs/dbraw/zinc/30/37/87/553303787.db2.gz YAHOTDHXRHVWLY-DEOSSOPVSA-N 0 0 509.584 2.411 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccccc3OC)c3ccccc3c2=O)c(OC)c1 ZINC000009775913 553304613 /nfs/dbraw/zinc/30/46/13/553304613.db2.gz QYIJDUKPUSLLRX-UHFFFAOYSA-N 0 0 502.527 2.458 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N(C)CCc3ccccn3)c3ccccc3c2=O)c(OC)c1 ZINC000009776026 553304831 /nfs/dbraw/zinc/30/48/31/553304831.db2.gz HLNNKPXXRVFZGC-UHFFFAOYSA-N 0 0 501.543 2.229 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)cc1Cl ZINC000009776103 553305033 /nfs/dbraw/zinc/30/50/33/553305033.db2.gz VSXNJKNOLOAQKG-UHFFFAOYSA-N 0 0 512.950 2.143 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)c3ccccc3c2=O)cc1OC ZINC000009776235 553305192 /nfs/dbraw/zinc/30/51/92/553305192.db2.gz MDACOYIMBUFFOB-UHFFFAOYSA-N 0 0 527.581 2.482 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N(C)CCc3ccccn3)c3ccccc3c2=O)cc1OC ZINC000009776278 553305393 /nfs/dbraw/zinc/30/53/93/553305393.db2.gz FPBBNRFUWRYTRC-UHFFFAOYSA-N 0 0 501.543 2.229 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCN(c5ccccc5)CC4)c(=O)c3c2)CC1 ZINC000009776640 553306081 /nfs/dbraw/zinc/30/60/81/553306081.db2.gz FQVYLNUVABDYHC-UHFFFAOYSA-N 0 0 509.632 2.166 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCN(c5ccccc5F)CC4)c(=O)c3c2)CC1 ZINC000009776645 553306084 /nfs/dbraw/zinc/30/60/84/553306084.db2.gz KAQPEFOMHVAIDR-UHFFFAOYSA-N 0 0 527.622 2.305 50 0 KEAARN Cc1sc2ncn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000009776773 553306338 /nfs/dbraw/zinc/30/63/38/553306338.db2.gz GHDFYMPEGPGFIY-UHFFFAOYSA-N 0 0 518.617 2.232 50 0 KEAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)nn1 ZINC000009787105 553308332 /nfs/dbraw/zinc/30/83/32/553308332.db2.gz JRCGQRGGBARHNY-UHFFFAOYSA-N 0 0 516.601 2.210 50 0 KEAARN CS(=O)(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc32)ccc1N1CCOCC1 ZINC000009805187 553308338 /nfs/dbraw/zinc/30/83/38/553308338.db2.gz VJOODKWKPHVETP-UHFFFAOYSA-N 0 0 525.631 2.284 50 0 KEAARN Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)n1 ZINC000009829309 553309020 /nfs/dbraw/zinc/30/90/20/553309020.db2.gz NBXVCXXWQCHODG-UHFFFAOYSA-N 0 0 503.558 2.271 50 0 KEAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3Cc2cc(=O)n3ccccc3n2)C1 ZINC000009830473 553309062 /nfs/dbraw/zinc/30/90/62/553309062.db2.gz NKSJMDMCGNJZRD-UHFFFAOYSA-N 0 0 517.542 2.314 50 0 KEAARN CC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3Cc2cc(=O)n3ccccc3n2)C1 ZINC000009830484 553309060 /nfs/dbraw/zinc/30/90/60/553309060.db2.gz VERPWQNJOZHXOZ-UHFFFAOYSA-N 0 0 513.579 2.234 50 0 KEAARN CC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)Nc2cc(C)[nH]n2)C1 ZINC000009830500 553309070 /nfs/dbraw/zinc/30/90/70/553309070.db2.gz QIMMWCMOLZUESU-UHFFFAOYSA-N 0 0 506.588 2.042 50 0 KEAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccccc2)c(=O)n3Cc2cc(=O)n3c(C)cccc3n2)C1 ZINC000009830502 553309111 /nfs/dbraw/zinc/30/91/11/553309111.db2.gz GRNAYUUEHFGSCB-UHFFFAOYSA-N 0 0 513.579 2.483 50 0 KEAARN COC(=O)c1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc(C(=O)OC)c1 ZINC000009838407 553310749 /nfs/dbraw/zinc/31/07/49/553310749.db2.gz KGAIGKHHCIYBGW-UHFFFAOYSA-N 0 0 502.545 2.361 50 0 KEAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000009851572 553313209 /nfs/dbraw/zinc/31/32/09/553313209.db2.gz AZWQZHISYMYKBF-UHFFFAOYSA-N 0 0 509.556 2.339 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(F)cc5)CC4)CC3)ccc21 ZINC000009856427 553313524 /nfs/dbraw/zinc/31/35/24/553313524.db2.gz WSRMSVUVPNARQY-UHFFFAOYSA-N 0 0 502.568 2.020 50 0 KEAARN CC(C)Cn1c2nnc(CCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2c2ccsc2c1=O ZINC000009939287 553319062 /nfs/dbraw/zinc/31/90/62/553319062.db2.gz SMBSBGQEODMZLC-UHFFFAOYSA-N 0 0 516.649 2.091 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(CC)cc2)c(=O)n3CC(=O)NCCOC)C1 ZINC000009960175 553320395 /nfs/dbraw/zinc/32/03/95/553320395.db2.gz IUSKAZXJJXRSIQ-UHFFFAOYSA-N 0 0 514.604 2.054 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)NC[C@@H]2CCCO2)C1 ZINC000009960216 553320685 /nfs/dbraw/zinc/32/06/85/553320685.db2.gz UKCGBETVALNSJZ-SFHVURJKSA-N 0 0 526.615 2.083 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(Cc2ccccc2)c(=O)n3CC(=O)NC[C@H]2CCCO2)C1 ZINC000009960220 553320648 /nfs/dbraw/zinc/32/06/48/553320648.db2.gz UKCGBETVALNSJZ-GOSISDBHSA-N 0 0 526.615 2.083 50 0 KEAARN COc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1OC ZINC000009962826 553320642 /nfs/dbraw/zinc/32/06/42/553320642.db2.gz HSFWJUTVXWGKIQ-UHFFFAOYSA-N 0 0 531.631 2.209 50 0 KEAARN COc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)c(OC)c1 ZINC000009962838 553320702 /nfs/dbraw/zinc/32/07/02/553320702.db2.gz QLAMPQXSCCQDEE-UHFFFAOYSA-N 0 0 531.631 2.209 50 0 KEAARN CCN(CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)c1ccccc1 ZINC000009962867 553320676 /nfs/dbraw/zinc/32/06/76/553320676.db2.gz FVVIBBJOYJIEFE-UHFFFAOYSA-N 0 0 514.648 2.475 50 0 KEAARN C[C@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)c1ccc2c(c1)OCCO2 ZINC000009962932 553320704 /nfs/dbraw/zinc/32/07/04/553320704.db2.gz JDQHBYYXEKTQRG-SFHVURJKSA-N 0 0 529.615 2.481 50 0 KEAARN C[C@@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)c1ccc2c(c1)OCCO2 ZINC000009962936 553320753 /nfs/dbraw/zinc/32/07/53/553320753.db2.gz JDQHBYYXEKTQRG-GOSISDBHSA-N 0 0 529.615 2.481 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCN(C)c2ccccc2)C(=O)CO3)CC1 ZINC000009962976 553320773 /nfs/dbraw/zinc/32/07/73/553320773.db2.gz MKHVBWBBTFSLSH-UHFFFAOYSA-N 0 0 514.648 2.475 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)C(=O)CO2 ZINC000009962981 553320756 /nfs/dbraw/zinc/32/07/56/553320756.db2.gz SWNZMBSWLFKPNC-INIZCTEOSA-N 0 0 503.577 2.091 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N[C@H](C)c1ccc3c(c1)OCCO3)C(=O)CO2 ZINC000009962983 553320749 /nfs/dbraw/zinc/32/07/49/553320749.db2.gz SWNZMBSWLFKPNC-MRXNPFEDSA-N 0 0 503.577 2.091 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCCSC1CCCCC1 ZINC000009963175 553320992 /nfs/dbraw/zinc/32/09/92/553320992.db2.gz ZBXKRRCQZWEWMM-UHFFFAOYSA-N 0 0 511.666 2.005 50 0 KEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4ccccc4)CC2)C(=O)CO3)C1 ZINC000009963445 553321148 /nfs/dbraw/zinc/32/11/48/553321148.db2.gz VMNADRASGOOSTG-OYRHEFFESA-N 0 0 526.659 2.427 50 0 KEAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4ccccc4)CC2)C(=O)CO3)C1 ZINC000009963446 553321104 /nfs/dbraw/zinc/32/11/04/553321104.db2.gz VMNADRASGOOSTG-SFTDATJTSA-N 0 0 526.659 2.427 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4ccccc4)CC2)C(=O)CO3)C1 ZINC000009963447 553321119 /nfs/dbraw/zinc/32/11/19/553321119.db2.gz VMNADRASGOOSTG-NHCUHLMSSA-N 0 0 526.659 2.427 50 0 KEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc4c(c2)OCO4)C(=O)CO3)C1 ZINC000009963494 553321477 /nfs/dbraw/zinc/32/14/77/553321477.db2.gz VRFLSSMRJSAQHW-CALCHBBNSA-N 0 0 515.588 2.124 50 0 KEAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc4c(c2)OCO4)C(=O)CO3)C1 ZINC000009963498 553321460 /nfs/dbraw/zinc/32/14/60/553321460.db2.gz VRFLSSMRJSAQHW-IRXDYDNUSA-N 0 0 515.588 2.124 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCc2ccc4c(c2)OCO4)C(=O)CO3)C1 ZINC000009963502 553321437 /nfs/dbraw/zinc/32/14/37/553321437.db2.gz VRFLSSMRJSAQHW-IAGOWNOFSA-N 0 0 515.588 2.124 50 0 KEAARN COc1ccc(CNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc32)cc1 ZINC000009963505 553321511 /nfs/dbraw/zinc/32/15/11/553321511.db2.gz YXBPGSCRICGSSU-HDICACEKSA-N 0 0 501.605 2.404 50 0 KEAARN COc1ccc(CNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc32)cc1 ZINC000009963507 553321476 /nfs/dbraw/zinc/32/14/76/553321476.db2.gz YXBPGSCRICGSSU-ROUUACIJSA-N 0 0 501.605 2.404 50 0 KEAARN CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3o2)CC1 ZINC000009969558 553322189 /nfs/dbraw/zinc/32/21/89/553322189.db2.gz HPKSDROFXSGXKQ-UHFFFAOYSA-N 0 0 513.580 2.025 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000009969875 553322326 /nfs/dbraw/zinc/32/23/26/553322326.db2.gz SELMPVQYOROLAA-FJWZAKCXSA-N 0 0 508.552 2.351 50 0 KEAARN Cc1c(C(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 ZINC000010013199 553325786 /nfs/dbraw/zinc/32/57/86/553325786.db2.gz PLPPLBFPECPAQY-SFHVURJKSA-N 0 0 509.632 2.285 50 0 KEAARN Cc1c(C(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 ZINC000010013200 553325843 /nfs/dbraw/zinc/32/58/43/553325843.db2.gz PLPPLBFPECPAQY-GOSISDBHSA-N 0 0 509.632 2.285 50 0 KEAARN O=c1[nH]cnc2c1C(c1ccc(C3c4c(=O)[nH]cnc4Oc4nc[nH]c(=O)c43)cc1)c1c(=O)[nH]cnc1O2 ZINC000010013939 553326188 /nfs/dbraw/zinc/32/61/88/553326188.db2.gz GGNTUSULBQCNMR-UHFFFAOYSA-N 0 0 510.426 2.241 50 0 KEAARN COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc(C(=O)OC)c1 ZINC000010035409 553326454 /nfs/dbraw/zinc/32/64/54/553326454.db2.gz FZLCFVHMNSFVNA-GOSISDBHSA-N 0 0 502.911 2.274 50 0 KEAARN COC(=O)c1cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)Nc2cccc(Cl)c2)cc(C(=O)OC)c1 ZINC000010035411 553326402 /nfs/dbraw/zinc/32/64/02/553326402.db2.gz FZLCFVHMNSFVNA-SFHVURJKSA-N 0 0 502.911 2.274 50 0 KEAARN O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000010256485 553331080 /nfs/dbraw/zinc/33/10/80/553331080.db2.gz FYPGLKNWXVEDCA-LJQANCHMSA-N 0 0 500.538 2.110 50 0 KEAARN O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000010256487 553331090 /nfs/dbraw/zinc/33/10/90/553331090.db2.gz FYPGLKNWXVEDCA-IBGZPJMESA-N 0 0 500.538 2.110 50 0 KEAARN CCOc1ccc(-n2nnc3c2ncnc3N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000010256553 553331081 /nfs/dbraw/zinc/33/10/81/553331081.db2.gz YHOGOSYGXZUVLZ-UHFFFAOYSA-N 0 0 525.591 2.137 50 0 KEAARN CC(=O)c1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCOCC4)c4ccccc34)CC2)cc1 ZINC000010257116 553331100 /nfs/dbraw/zinc/33/11/00/553331100.db2.gz RPSCIOGVCMPLGW-UHFFFAOYSA-N 0 0 502.571 2.234 50 0 KEAARN CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nn2)cc1 ZINC000010336183 553334525 /nfs/dbraw/zinc/33/45/25/553334525.db2.gz SBDDGJQLKNOYEJ-UHFFFAOYSA-N 0 0 512.588 2.372 50 0 KEAARN CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000010386288 553336227 /nfs/dbraw/zinc/33/62/27/553336227.db2.gz CDKHZSXYLVYKKA-AWEZNQCLSA-N 0 0 500.383 2.397 50 0 KEAARN CC(C)OCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000010386290 553336235 /nfs/dbraw/zinc/33/62/35/553336235.db2.gz CDKHZSXYLVYKKA-CQSZACIVSA-N 0 0 500.383 2.397 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000011024091 553338431 /nfs/dbraw/zinc/33/84/31/553338431.db2.gz KIKABDDBQOJOQR-UHFFFAOYSA-N 0 0 546.671 2.391 50 0 KEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000011614307 553339227 /nfs/dbraw/zinc/33/92/27/553339227.db2.gz STCIMPRHAGYAII-WLGHQHAYSA-N 0 0 524.595 2.451 50 0 KEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000011614308 553339219 /nfs/dbraw/zinc/33/92/19/553339219.db2.gz STCIMPRHAGYAII-NLZIUFDSSA-N 0 0 524.595 2.451 50 0 KEAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 ZINC000011665868 553339868 /nfs/dbraw/zinc/33/98/68/553339868.db2.gz LAMQPGHQNWMFGZ-UHFFFAOYSA-N 0 0 517.493 2.308 50 0 KEAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=NC(=O)c1ccc2c(c1)OCO2 ZINC000011691130 1066417094 /nfs/dbraw/zinc/41/70/94/1066417094.db2.gz XDATYAGZXAMOQM-UHFFFAOYSA-N 0 0 504.499 2.332 50 0 KEAARN CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(=O)c1ccc2c(c1)OCO2 ZINC000011691253 1066417123 /nfs/dbraw/zinc/41/71/23/1066417123.db2.gz INLMOWSVKAOTDA-KRWDZBQOSA-N 0 0 516.510 2.475 50 0 KEAARN COc1ccc(-c2nc(SCC(=O)Nc3cc(OC)ccc3OC)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758140 553341795 /nfs/dbraw/zinc/34/17/95/553341795.db2.gz IVZJPXSSAOJKSN-UHFFFAOYSA-N 0 0 523.571 2.451 50 0 KEAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758141 553341868 /nfs/dbraw/zinc/34/18/68/553341868.db2.gz CTQOSUUPUWRMGI-UHFFFAOYSA-N 0 0 507.528 2.162 50 0 KEAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758142 553341843 /nfs/dbraw/zinc/34/18/43/553341843.db2.gz NZILSPPQGBECOS-UHFFFAOYSA-N 0 0 521.555 2.205 50 0 KEAARN COc1ccc(-c2nc(SCC(=O)NCCc3ccc(OC)c(OC)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758160 553341857 /nfs/dbraw/zinc/34/18/57/553341857.db2.gz HFVDVKZWSVKHQW-UHFFFAOYSA-N 0 0 551.625 2.171 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nc(-c3ccc(F)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000011758201 553342115 /nfs/dbraw/zinc/34/21/15/553342115.db2.gz RMHAWGZYXMPGLL-UHFFFAOYSA-N 0 0 539.589 2.302 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000011758316 553342225 /nfs/dbraw/zinc/34/22/25/553342225.db2.gz QGPQVDHJZNSZSM-UHFFFAOYSA-N 0 0 527.628 2.224 50 0 KEAARN CCSc1nnc(NC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000011758321 553342185 /nfs/dbraw/zinc/34/21/85/553342185.db2.gz CEUHCFXDOQQKRK-UHFFFAOYSA-N 0 0 507.648 2.450 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)CC1 ZINC000011790296 553343051 /nfs/dbraw/zinc/34/30/51/553343051.db2.gz BJIMESHFWFGTIM-UXHICEINSA-N 0 0 520.586 2.256 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)CC1 ZINC000011790297 553343341 /nfs/dbraw/zinc/34/33/41/553343341.db2.gz BJIMESHFWFGTIM-PMACEKPBSA-N 0 0 520.586 2.256 50 0 KEAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)N(C3CCCC3)C2)c1C(=O)OC ZINC000011839410 1066359804 /nfs/dbraw/zinc/35/98/04/1066359804.db2.gz YUWFYDDNNNNADI-FPOVZHCZSA-N 0 0 506.563 2.274 50 0 KEAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1-c1ccccc1)Nc1nccs1 ZINC000011852282 553344623 /nfs/dbraw/zinc/34/46/23/553344623.db2.gz XJUZOZBGADRMQO-UHFFFAOYSA-N 0 0 599.720 2.406 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2)CC1 ZINC000011852969 553346277 /nfs/dbraw/zinc/34/62/77/553346277.db2.gz BBTLEVKXXRRSIY-UHFFFAOYSA-N 0 0 552.656 2.415 50 0 KEAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011867016 553347158 /nfs/dbraw/zinc/34/71/58/553347158.db2.gz NRWWDWSXURLFSF-PBBNMVCDSA-N 0 0 541.645 2.209 50 0 KEAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000011867017 553347195 /nfs/dbraw/zinc/34/71/95/553347195.db2.gz NRWWDWSXURLFSF-ONOMSOESSA-N 0 0 541.645 2.209 50 0 KEAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011867018 553347169 /nfs/dbraw/zinc/34/71/69/553347169.db2.gz NRWWDWSXURLFSF-LGGPFLRQSA-N 0 0 541.645 2.209 50 0 KEAARN CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000011867019 553347181 /nfs/dbraw/zinc/34/71/81/553347181.db2.gz NRWWDWSXURLFSF-KCWXNJEJSA-N 0 0 541.645 2.209 50 0 KEAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)c2C(N)=O)C1 ZINC000011883205 553348518 /nfs/dbraw/zinc/34/85/18/553348518.db2.gz ORWQPEFVRZKMMN-INIZCTEOSA-N 0 0 506.650 2.277 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000012040015 553350440 /nfs/dbraw/zinc/35/04/40/553350440.db2.gz BTMYUSNNEWJLMC-VXKWHMMOSA-N 0 0 508.622 2.171 50 0 KEAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)N(C/C=C/c3ccco3)C2)c1C(=O)OC ZINC000012133233 553351679 /nfs/dbraw/zinc/35/16/79/553351679.db2.gz ZPOYMZPUQRKYPU-UEDNFGOZSA-N 0 0 521.530 2.442 50 0 KEAARN C/C=C(\C)CN1C[C@@H](n2nnc(C(=O)OC)c2C(=O)OC)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000012247923 1066359750 /nfs/dbraw/zinc/35/97/50/1066359750.db2.gz HAOUJAVPFRKXAS-DCUAIRSBSA-N 0 0 506.563 2.298 50 0 KEAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000012311469 553357330 /nfs/dbraw/zinc/35/73/30/553357330.db2.gz ISEPWCQKMMVXDK-UHFFFAOYSA-N 0 0 506.920 2.263 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(Cc2ccco2)CCS3(=O)=O)CC1 ZINC000012324915 553358273 /nfs/dbraw/zinc/35/82/73/553358273.db2.gz PMTWVEIZELIZGY-UHFFFAOYSA-N 0 0 501.483 2.405 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2c(F)c(F)c3c(c2F)N(Cc2cccnc2)CCS3(=O)=O)CC1 ZINC000012325072 553358299 /nfs/dbraw/zinc/35/82/99/553358299.db2.gz WEYHNVDPSXIRPW-UHFFFAOYSA-N 0 0 512.510 2.207 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)NOCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000012351721 553359280 /nfs/dbraw/zinc/35/92/80/553359280.db2.gz LOTMRORIWFTLBQ-UHFFFAOYSA-N 0 0 535.932 2.271 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000012364401 553359638 /nfs/dbraw/zinc/35/96/38/553359638.db2.gz HRCJALSTULENBQ-IBGZPJMESA-N 0 0 502.446 2.116 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000012364403 553359649 /nfs/dbraw/zinc/35/96/49/553359649.db2.gz HRCJALSTULENBQ-LJQANCHMSA-N 0 0 502.446 2.116 50 0 KEAARN COc1ccc(CCNC(=O)Cn2nnc(-c3cc(OC)c(OC)cc3Br)n2)cc1OC ZINC000012371306 553360290 /nfs/dbraw/zinc/36/02/90/553360290.db2.gz DHVFZMQDJKTMIG-UHFFFAOYSA-N 0 0 506.357 2.496 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000012374400 553360844 /nfs/dbraw/zinc/36/08/44/553360844.db2.gz PTROKCXRUUWLDH-XMMPIXPASA-N 0 0 509.584 2.411 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000012374401 553360864 /nfs/dbraw/zinc/36/08/64/553360864.db2.gz PTROKCXRUUWLDH-DEOSSOPVSA-N 0 0 509.584 2.411 50 0 KEAARN Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012374404 553360878 /nfs/dbraw/zinc/36/08/78/553360878.db2.gz PFZHOMINBAWRTM-DEOSSOPVSA-N 0 0 509.584 2.411 50 0 KEAARN Cc1ccc(C(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000012374405 553360853 /nfs/dbraw/zinc/36/08/53/553360853.db2.gz PFZHOMINBAWRTM-XMMPIXPASA-N 0 0 509.584 2.411 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012374406 553360886 /nfs/dbraw/zinc/36/08/86/553360886.db2.gz BLVMGAKUZJVNOP-OAQYLSRUSA-N 0 0 501.586 2.164 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccco2)C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012374407 553360855 /nfs/dbraw/zinc/36/08/55/553360855.db2.gz BLVMGAKUZJVNOP-NRFANRHFSA-N 0 0 501.586 2.164 50 0 KEAARN Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2cccc(C)c2)C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000012374415 553360877 /nfs/dbraw/zinc/36/08/77/553360877.db2.gz YAHOTDHXRHVWLY-XMMPIXPASA-N 0 0 509.584 2.411 50 0 KEAARN O=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOc1cccc2cccnc21)N1CCOCC1 ZINC000012375244 553361086 /nfs/dbraw/zinc/36/10/86/553361086.db2.gz NEMBWCVZRLUSSI-UHFFFAOYSA-N 0 0 505.980 2.483 50 0 KEAARN Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3Cc2ccccc2)cc1 ZINC000012376611 553361456 /nfs/dbraw/zinc/36/14/56/553361456.db2.gz YWUMFFRDAWTLPT-LJQANCHMSA-N 0 0 511.507 2.225 50 0 KEAARN Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3Cc2ccccc2)cc1 ZINC000012376612 553361447 /nfs/dbraw/zinc/36/14/47/553361447.db2.gz YWUMFFRDAWTLPT-IBGZPJMESA-N 0 0 511.507 2.225 50 0 KEAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380818 553362064 /nfs/dbraw/zinc/36/20/64/553362064.db2.gz AQDQGWBFSLWOEO-HNNXBMFYSA-N 0 0 502.014 2.154 50 0 KEAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000012380819 553362060 /nfs/dbraw/zinc/36/20/60/553362060.db2.gz AQDQGWBFSLWOEO-OAHLLOKOSA-N 0 0 502.014 2.154 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O ZINC000012381529 553362140 /nfs/dbraw/zinc/36/21/40/553362140.db2.gz PFCGCSANDQSCCS-DHIUTWEWSA-N 0 0 524.618 2.294 50 0 KEAARN CC(C)C[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000012393277 553362455 /nfs/dbraw/zinc/36/24/55/553362455.db2.gz XNJISPIGUVSARX-RJGXRXQPSA-N 0 0 522.602 2.058 50 0 KEAARN COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2N(C)C)N2CCOCC2)cc1 ZINC000012414001 553364889 /nfs/dbraw/zinc/36/48/89/553364889.db2.gz APGPOLGXODCXPC-QFIPXVFZSA-N 0 0 525.071 2.468 50 0 KEAARN COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2N(C)C)N2CCOCC2)cc1 ZINC000012414002 553364881 /nfs/dbraw/zinc/36/48/81/553364881.db2.gz APGPOLGXODCXPC-JOCHJYFZSA-N 0 0 525.071 2.468 50 0 KEAARN Cc1nonc1CN(C)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000012455922 553366825 /nfs/dbraw/zinc/36/68/25/553366825.db2.gz AFFPASOHHFJSGK-OAQYLSRUSA-N 0 0 502.568 2.498 50 0 KEAARN Cc1nonc1CN(C)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000012455924 553366839 /nfs/dbraw/zinc/36/68/39/553366839.db2.gz AFFPASOHHFJSGK-NRFANRHFSA-N 0 0 502.568 2.498 50 0 KEAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 ZINC000012469600 553367966 /nfs/dbraw/zinc/36/79/66/553367966.db2.gz GLWWOKLSGFQIMR-QFIPXVFZSA-N 0 0 526.615 2.145 50 0 KEAARN O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000012484165 553376985 /nfs/dbraw/zinc/37/69/85/553376985.db2.gz VWZJBNOWCXGOCS-UHFFFAOYSA-N 0 0 512.554 2.487 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1C ZINC000012486870 553378152 /nfs/dbraw/zinc/37/81/52/553378152.db2.gz HEFSYOZNLFSCPR-UHFFFAOYSA-N 0 0 502.520 2.094 50 0 KEAARN O=S(=O)(c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)N1CCCC1 ZINC000012487707 553378507 /nfs/dbraw/zinc/37/85/07/553378507.db2.gz FQOFUAYHFTVQAL-UHFFFAOYSA-N 0 0 510.663 2.301 50 0 KEAARN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NCCCCCC(=O)OCc1ccccc1)C(N)=O ZINC000012494354 553381618 /nfs/dbraw/zinc/38/16/18/553381618.db2.gz MVVFYQHHEKOACW-UYAOXDASSA-N 0 0 520.627 2.070 50 0 biogenic KEAARN COc1ccc(CC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 ZINC000012498153 553381986 /nfs/dbraw/zinc/38/19/86/553381986.db2.gz QYMCWGHGXZHHGG-UHFFFAOYSA-N 0 0 517.604 2.041 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccc(S(C)(=O)=O)c4)o3)cc2)C[C@H](C)O1 ZINC000012498307 553382239 /nfs/dbraw/zinc/38/22/39/553382239.db2.gz MYPVBMCDVRPVDR-GASCZTMLSA-N 0 0 520.589 2.190 50 0 KEAARN CCOc1ccc2[nH]c(SCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)nc2c1 ZINC000012506132 553382402 /nfs/dbraw/zinc/38/24/02/553382402.db2.gz NOTXQFOLWWBIGD-UHFFFAOYSA-N 0 0 524.603 2.214 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)n2CC ZINC000012520221 553382577 /nfs/dbraw/zinc/38/25/77/553382577.db2.gz MNEICUZJQRDBLB-MRXNPFEDSA-N 0 0 516.711 2.214 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)n2CC ZINC000012520222 553382583 /nfs/dbraw/zinc/38/25/83/553382583.db2.gz MNEICUZJQRDBLB-INIZCTEOSA-N 0 0 516.711 2.214 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C ZINC000012522519 553382935 /nfs/dbraw/zinc/38/29/35/553382935.db2.gz KDQFNBFRSFIJGL-UHFFFAOYSA-N 0 0 524.665 2.097 50 0 KEAARN CCn1c(COC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012524787 553383744 /nfs/dbraw/zinc/38/37/44/553383744.db2.gz RMSHNJGBEOUGER-AWEZNQCLSA-N 0 0 509.610 2.407 50 0 KEAARN CCn1c(COC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012524788 553383717 /nfs/dbraw/zinc/38/37/17/553383717.db2.gz RMSHNJGBEOUGER-CQSZACIVSA-N 0 0 509.610 2.407 50 0 KEAARN COc1cccc(NCc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n2C2CCCCC2)c1 ZINC000012524918 553383943 /nfs/dbraw/zinc/38/39/43/553383943.db2.gz MEGJEQPNXDIFCL-UHFFFAOYSA-N 0 0 513.624 2.359 50 0 KEAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012526627 553384354 /nfs/dbraw/zinc/38/43/54/553384354.db2.gz ACWRVQZFIKRJKF-UHFFFAOYSA-N 0 0 504.584 2.158 50 0 KEAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000012527381 553384333 /nfs/dbraw/zinc/38/43/33/553384333.db2.gz XPFOVQJQZDJWRL-VWLOTQADSA-N 0 0 513.620 2.333 50 0 KEAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000012527382 553384343 /nfs/dbraw/zinc/38/43/43/553384343.db2.gz XPFOVQJQZDJWRL-RUZDIDTESA-N 0 0 513.620 2.333 50 0 KEAARN O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000012528111 553384326 /nfs/dbraw/zinc/38/43/26/553384326.db2.gz BTITWGOHOTZOQT-UHFFFAOYSA-N 0 0 507.056 2.303 50 0 KEAARN O=S(=O)(c1cccc(-c2nn(CN3CCOCC3)c(=S)n2Cc2ccccc2)c1)N1CCOCC1 ZINC000012528685 553384580 /nfs/dbraw/zinc/38/45/80/553384580.db2.gz JDQCHDZXIQFOAB-UHFFFAOYSA-N 0 0 515.661 2.440 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 ZINC000012529103 553385228 /nfs/dbraw/zinc/38/52/28/553385228.db2.gz VTJYVLXRVUGMLF-UHFFFAOYSA-N 0 0 505.618 2.447 50 0 KEAARN COc1ccc(-c2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n2C)cc1 ZINC000012529123 553385245 /nfs/dbraw/zinc/38/52/45/553385245.db2.gz XWYSRKLXALLENI-UHFFFAOYSA-N 0 0 503.606 2.242 50 0 KEAARN COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000012529426 553385680 /nfs/dbraw/zinc/38/56/80/553385680.db2.gz KXGVMZJUMQJLFX-AWEZNQCLSA-N 0 0 502.549 2.223 50 0 KEAARN COc1ccc(C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000012529428 553385643 /nfs/dbraw/zinc/38/56/43/553385643.db2.gz KXGVMZJUMQJLFX-CQSZACIVSA-N 0 0 502.549 2.223 50 0 KEAARN Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012530135 553386001 /nfs/dbraw/zinc/38/60/01/553386001.db2.gz QLRSTDIOVKQQCO-UHFFFAOYSA-N 0 0 523.011 2.339 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012530854 553386033 /nfs/dbraw/zinc/38/60/33/553386033.db2.gz XQXLFJQVKSPBAQ-UHFFFAOYSA-N 0 0 519.601 2.340 50 0 KEAARN O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000012531753 553386410 /nfs/dbraw/zinc/38/64/10/553386410.db2.gz KBOJRQAYIBORPI-VMPITWQZSA-N 0 0 516.963 2.499 50 0 KEAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000012532507 553386778 /nfs/dbraw/zinc/38/67/78/553386778.db2.gz OVSFZEBIELWDGL-GOSISDBHSA-N 0 0 502.511 2.318 50 0 KEAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000012532509 553386788 /nfs/dbraw/zinc/38/67/88/553386788.db2.gz OVSFZEBIELWDGL-SFHVURJKSA-N 0 0 502.511 2.318 50 0 KEAARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1 ZINC000012532962 553387159 /nfs/dbraw/zinc/38/71/59/553387159.db2.gz RGIHPFNPTBKHJW-UHFFFAOYSA-N 0 0 501.517 2.296 50 0 KEAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 ZINC000012533532 553387420 /nfs/dbraw/zinc/38/74/20/553387420.db2.gz XJODCYAKVDVGCN-UHFFFAOYSA-N 0 0 507.590 2.464 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3CCCCC3)cc2)cc1 ZINC000012533695 553387363 /nfs/dbraw/zinc/38/73/63/553387363.db2.gz KZXSJMYPLKWMBP-UHFFFAOYSA-N 0 0 503.577 2.405 50 0 KEAARN COCCN(C(=O)Cn1c2ccccc2nc1C(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012535325 553387580 /nfs/dbraw/zinc/38/75/80/553387580.db2.gz RBHUUJJAYJCNNT-UHFFFAOYSA-N 0 0 516.480 2.215 50 0 KEAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012536754 553387871 /nfs/dbraw/zinc/38/78/71/553387871.db2.gz RBRHBXUXTBHWQJ-UHFFFAOYSA-N 0 0 530.647 2.417 50 0 KEAARN CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1 ZINC000012536912 553387842 /nfs/dbraw/zinc/38/78/42/553387842.db2.gz QYHJRCJEWKZNOQ-UHFFFAOYSA-N 0 0 502.593 2.034 50 0 KEAARN O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000012537204 553387833 /nfs/dbraw/zinc/38/78/33/553387833.db2.gz XWCARFOTKUIUOD-UHFFFAOYSA-N 0 0 522.574 2.345 50 0 KEAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1 ZINC000012538119 553388020 /nfs/dbraw/zinc/38/80/20/553388020.db2.gz SNONURUWDGGZQB-UHFFFAOYSA-N 0 0 521.592 2.024 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000012538149 553388008 /nfs/dbraw/zinc/38/80/08/553388008.db2.gz WFRNKQJDKWJDSS-UHFFFAOYSA-N 0 0 500.621 2.043 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)NCc3ccco3)cc2)cc1 ZINC000012538336 553388251 /nfs/dbraw/zinc/38/82/51/553388251.db2.gz DBVJAOBZGUHEHO-UHFFFAOYSA-N 0 0 515.544 2.302 50 0 KEAARN O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000012538627 553388247 /nfs/dbraw/zinc/38/82/47/553388247.db2.gz SORHNMCYNNBRJK-UHFFFAOYSA-N 0 0 518.979 2.476 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000012538645 553388261 /nfs/dbraw/zinc/38/82/61/553388261.db2.gz JHIAEBIFINNFEM-UHFFFAOYSA-N 0 0 524.665 2.097 50 0 KEAARN COc1ccccc1-n1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nc2ccccc2c1=O ZINC000012539141 553388370 /nfs/dbraw/zinc/38/83/70/553388370.db2.gz LQMBHOGJTRAPQQ-UHFFFAOYSA-N 0 0 521.599 2.468 50 0 KEAARN COc1cc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(NC(=O)c2cccs2)c1OC ZINC000012539236 553388551 /nfs/dbraw/zinc/38/85/51/553388551.db2.gz YPXDJITVXQCVFI-UHFFFAOYSA-N 0 0 519.557 2.461 50 0 KEAARN COCCn1cnc2c1c(=O)n(CC(=O)OCCOc1cc(C)ccc1C)c(=O)n2Cc1ccccc1 ZINC000012539792 553388733 /nfs/dbraw/zinc/38/87/33/553388733.db2.gz HZMWZAKJPMIYTD-UHFFFAOYSA-N 0 0 506.559 2.293 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1ccccc1C ZINC000012540795 553389136 /nfs/dbraw/zinc/38/91/36/553389136.db2.gz AYECCUBBQCWSDW-UHFFFAOYSA-N 0 0 519.620 2.423 50 0 KEAARN O=C(COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012541333 553389517 /nfs/dbraw/zinc/38/95/17/553389517.db2.gz BAYZIQODOVGYCN-YXSDIZSPSA-N 0 0 500.411 2.417 50 0 KEAARN O=C(COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012541334 553389500 /nfs/dbraw/zinc/38/95/00/553389500.db2.gz BAYZIQODOVGYCN-TYUXRXASSA-N 0 0 500.411 2.417 50 0 KEAARN CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012541459 1066417301 /nfs/dbraw/zinc/41/73/01/1066417301.db2.gz SXMFGUUXFLZSQZ-UQQQWYQISA-N 0 0 521.595 2.393 50 0 KEAARN CCN(C(=O)COC(=O)c1cc(NC(=O)c2cccs2)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000012541467 553389506 /nfs/dbraw/zinc/38/95/06/553389506.db2.gz YGARDXRFEIGXMX-OAHLLOKOSA-N 0 0 510.590 2.210 50 0 KEAARN CCN(C(=O)COC(=O)c1cc(NC(=O)c2cccs2)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000012541468 553389651 /nfs/dbraw/zinc/38/96/51/553389651.db2.gz YGARDXRFEIGXMX-HNNXBMFYSA-N 0 0 510.590 2.210 50 0 KEAARN CCOc1ccc(S(=O)(=O)NCCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000012541566 553389600 /nfs/dbraw/zinc/38/96/00/553389600.db2.gz KVVYUJNRZSUNHY-UHFFFAOYSA-N 0 0 510.366 2.268 50 0 KEAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012541976 553390004 /nfs/dbraw/zinc/39/00/04/553390004.db2.gz PHHPZVPEMVQBPL-QSHMCURRSA-N 0 0 506.621 2.389 50 0 KEAARN COc1ccc(OC)c(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000012542359 553390457 /nfs/dbraw/zinc/39/04/57/553390457.db2.gz ARVFMBXRQWEPKF-ITHMCKDVSA-N 0 0 504.561 2.308 50 0 KEAARN COc1ccc(OC)c(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000012542361 553390528 /nfs/dbraw/zinc/39/05/28/553390528.db2.gz ARVFMBXRQWEPKF-DPTHPHEISA-N 0 0 504.561 2.308 50 0 KEAARN CCN(C(=O)COC(=O)c1ccccc1OS(=O)(=O)c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000012542550 553390616 /nfs/dbraw/zinc/39/06/16/553390616.db2.gz NBWMQLQLJBCWKR-GOSISDBHSA-N 0 0 509.602 2.264 50 0 KEAARN CCN(C(=O)COC(=O)c1ccccc1OS(=O)(=O)c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000012542551 553390611 /nfs/dbraw/zinc/39/06/11/553390611.db2.gz NBWMQLQLJBCWKR-SFHVURJKSA-N 0 0 509.602 2.264 50 0 KEAARN COC(=O)c1sc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)c(C(=O)OC)c1C ZINC000012542903 553391002 /nfs/dbraw/zinc/39/10/02/553391002.db2.gz GOIFTGKQFHWLKV-KRWDZBQOSA-N 0 0 515.544 2.340 50 0 KEAARN CN1CCN(S(=O)(=O)c2ccc(SCC(=O)N3c4ccccc4NC(=O)C34CCCC4)nc2)CC1 ZINC000012543784 553391220 /nfs/dbraw/zinc/39/12/20/553391220.db2.gz DOWQAYJQLQYLTL-UHFFFAOYSA-N 0 0 515.661 2.408 50 0 KEAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1 ZINC000012543947 553391228 /nfs/dbraw/zinc/39/12/28/553391228.db2.gz NIJSQPOQACGMSD-GOSISDBHSA-N 0 0 502.593 2.013 50 0 KEAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1 ZINC000012543948 553391243 /nfs/dbraw/zinc/39/12/43/553391243.db2.gz NIJSQPOQACGMSD-SFHVURJKSA-N 0 0 502.593 2.013 50 0 KEAARN CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000012545324 553391217 /nfs/dbraw/zinc/39/12/17/553391217.db2.gz HBXIERPNCKYWHN-UHFFFAOYSA-N 0 0 527.018 2.269 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccnc1SC ZINC000012545595 553391408 /nfs/dbraw/zinc/39/14/08/553391408.db2.gz OIBCOUXZZXGOPG-UHFFFAOYSA-N 0 0 522.649 2.466 50 0 KEAARN COCCn1c2ccccc2nc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000012546260 553391451 /nfs/dbraw/zinc/39/14/51/553391451.db2.gz RYVHINFWCYYDOK-UHFFFAOYSA-N 0 0 520.633 2.443 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NC(=O)NC1CCCCC1)n2C ZINC000012546263 553391438 /nfs/dbraw/zinc/39/14/38/553391438.db2.gz NPQCZKLBJLPQNH-UHFFFAOYSA-N 0 0 521.640 2.238 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 ZINC000012546698 553391882 /nfs/dbraw/zinc/39/18/82/553391882.db2.gz SSJJZBMJIOXYSI-DHZHZOJOSA-N 0 0 511.556 2.459 50 0 KEAARN CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012546834 553392010 /nfs/dbraw/zinc/39/20/10/553392010.db2.gz XQVWNEFFNROZMG-UHFFFAOYSA-N 0 0 524.665 2.422 50 0 KEAARN C[C@@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012546994 553392338 /nfs/dbraw/zinc/39/23/38/553392338.db2.gz XXSWJVNFPOWIDS-FTJUBABDSA-N 0 0 529.615 2.128 50 0 KEAARN C[C@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000012546995 553392344 /nfs/dbraw/zinc/39/23/44/553392344.db2.gz XXSWJVNFPOWIDS-FZBXERKRSA-N 0 0 529.615 2.128 50 0 KEAARN CCN(CC)c1ccc(C(=O)NCCOC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000012561178 553394598 /nfs/dbraw/zinc/39/45/98/553394598.db2.gz FZSOUIHEUDCPLC-UHFFFAOYSA-N 0 0 503.621 2.449 50 0 KEAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000012561720 553394787 /nfs/dbraw/zinc/39/47/87/553394787.db2.gz NDSNNULQSQJDSO-UHFFFAOYSA-N 0 0 507.634 2.443 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012561771 553394701 /nfs/dbraw/zinc/39/47/01/553394701.db2.gz UBKDAMGONNDZEE-UHFFFAOYSA-N 0 0 524.665 2.056 50 0 KEAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000012562401 553394907 /nfs/dbraw/zinc/39/49/07/553394907.db2.gz JSBLGOSAMLXWQE-UHFFFAOYSA-N 0 0 521.661 2.453 50 0 KEAARN COc1ccccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000012563170 553395561 /nfs/dbraw/zinc/39/55/61/553395561.db2.gz QMIPDTDVGUKXEC-UHFFFAOYSA-N 0 0 503.577 2.112 50 0 KEAARN COc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 ZINC000012563210 553395498 /nfs/dbraw/zinc/39/54/98/553395498.db2.gz JVZFSCVHZQQSQW-UHFFFAOYSA-N 0 0 503.577 2.112 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)c1 ZINC000012563465 553395516 /nfs/dbraw/zinc/39/55/16/553395516.db2.gz UUJCBVKRUNQNOE-UHFFFAOYSA-N 0 0 502.574 2.089 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O ZINC000012563474 553395792 /nfs/dbraw/zinc/39/57/92/553395792.db2.gz HOFYNIISRCGQGD-UHFFFAOYSA-N 0 0 523.633 2.148 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000012563478 553395845 /nfs/dbraw/zinc/39/58/45/553395845.db2.gz NIPKICCDOIUSJZ-JLHYYAGUSA-N 0 0 507.634 2.390 50 0 KEAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000012563584 553395801 /nfs/dbraw/zinc/39/58/01/553395801.db2.gz ABFFRKNXGYBADW-UHFFFAOYSA-N 0 0 505.603 2.401 50 0 KEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000012563627 553395859 /nfs/dbraw/zinc/39/58/59/553395859.db2.gz RJXLLSOCXDWRQP-UHFFFAOYSA-N 0 0 515.613 2.438 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCCCCC1 ZINC000012563697 553395767 /nfs/dbraw/zinc/39/57/67/553395767.db2.gz RGOJEAKFQQAIGF-UHFFFAOYSA-N 0 0 513.572 2.338 50 0 KEAARN O=C(CSc1nc2ccccc2o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000012563700 553395863 /nfs/dbraw/zinc/39/58/63/553395863.db2.gz XZUJXDVOQZDOFK-UHFFFAOYSA-N 0 0 518.617 2.416 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000012563712 553395825 /nfs/dbraw/zinc/39/58/25/553395825.db2.gz MJFWJLAGEBCBMS-UHFFFAOYSA-N 0 0 507.952 2.148 50 0 KEAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000012564960 553396430 /nfs/dbraw/zinc/39/64/30/553396430.db2.gz IMUWEGVKDSGIIS-UHFFFAOYSA-N 0 0 514.025 2.398 50 0 KEAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000012565721 1066417270 /nfs/dbraw/zinc/41/72/70/1066417270.db2.gz DCZCUKUYUURDLE-JCMHNJIXSA-N 0 0 525.583 2.399 50 0 KEAARN COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000012565778 553396805 /nfs/dbraw/zinc/39/68/05/553396805.db2.gz KXJIMLGEQISMQC-UHFFFAOYSA-N 0 0 512.968 2.320 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000012566282 553396983 /nfs/dbraw/zinc/39/69/83/553396983.db2.gz VFLMNZRYWSBXTM-UHFFFAOYSA-N 0 0 502.014 2.172 50 0 KEAARN COc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000012567122 553397479 /nfs/dbraw/zinc/39/74/79/553397479.db2.gz OZGPSGFQSUFEGQ-INIZCTEOSA-N 0 0 505.618 2.430 50 0 KEAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000012567123 553397515 /nfs/dbraw/zinc/39/75/15/553397515.db2.gz OZGPSGFQSUFEGQ-MRXNPFEDSA-N 0 0 505.618 2.430 50 0 KEAARN CCCCn1c(N)c(N(CC)C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c(=O)[nH]c1=O ZINC000012568026 553397698 /nfs/dbraw/zinc/39/76/98/553397698.db2.gz FOVRUOBHOAOAAN-UHFFFAOYSA-N 0 0 511.604 2.337 50 0 KEAARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000012568072 553397713 /nfs/dbraw/zinc/39/77/13/553397713.db2.gz NHRCLUTWPXACRW-CCEZHUSRSA-N 0 0 513.554 2.419 50 0 KEAARN CCOC(=O)c1sc2nc(CN3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)nc(N)c2c1C ZINC000012568340 553397725 /nfs/dbraw/zinc/39/77/25/553397725.db2.gz SBJTYVQKQKIBQJ-UHFFFAOYSA-N 0 0 505.622 2.274 50 0 KEAARN CCCCCOc1ccc(C(=O)OCC(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)cc1 ZINC000012569515 553397893 /nfs/dbraw/zinc/39/78/93/553397893.db2.gz DMYOGKKSTIBGCT-UHFFFAOYSA-N 0 0 504.584 2.324 50 0 KEAARN CN(C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)C1CCCCC1 ZINC000012569953 553398007 /nfs/dbraw/zinc/39/80/07/553398007.db2.gz SHLHRWQCEFRPOJ-UHFFFAOYSA-N 0 0 503.415 2.418 50 0 KEAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012574915 553398435 /nfs/dbraw/zinc/39/84/35/553398435.db2.gz HBGFWDCRNQGFFB-LFYBBSHMSA-N 0 0 505.618 2.144 50 0 KEAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 ZINC000012578439 553398858 /nfs/dbraw/zinc/39/88/58/553398858.db2.gz YNFXZFGYUMMGBY-UHFFFAOYSA-N 0 0 507.576 2.410 50 0 KEAARN COc1cc(CC(=O)OCC(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000012579444 553398846 /nfs/dbraw/zinc/39/88/46/553398846.db2.gz LAKRQSSKHOPTDA-UHFFFAOYSA-N 0 0 506.504 2.179 50 0 KEAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012584372 553399510 /nfs/dbraw/zinc/39/95/10/553399510.db2.gz SOXJIVBTPJXTJZ-UHFFFAOYSA-N 0 0 506.650 2.290 50 0 KEAARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012587796 553399866 /nfs/dbraw/zinc/39/98/66/553399866.db2.gz RTABHZDPZJTEJT-UHFFFAOYSA-N 0 0 506.920 2.263 50 0 KEAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012588340 553399819 /nfs/dbraw/zinc/39/98/19/553399819.db2.gz RCWYOFSTRHUYPH-HUUCEWRRSA-N 0 0 503.415 2.416 50 0 KEAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012588350 553399828 /nfs/dbraw/zinc/39/98/28/553399828.db2.gz RCWYOFSTRHUYPH-GASCZTMLSA-N 0 0 503.415 2.416 50 0 KEAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012588357 553399880 /nfs/dbraw/zinc/39/98/80/553399880.db2.gz RCWYOFSTRHUYPH-GJZGRUSLSA-N 0 0 503.415 2.416 50 0 KEAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012591325 553400441 /nfs/dbraw/zinc/40/04/41/553400441.db2.gz WVSUUBVPQCYLIJ-UHFFFAOYSA-N 0 0 523.995 2.249 50 0 KEAARN Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012595456 553400625 /nfs/dbraw/zinc/40/06/25/553400625.db2.gz AQBQWLFWGUFGHG-AKJBCIBTSA-N 0 0 511.579 2.103 50 0 KEAARN Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012595464 553400660 /nfs/dbraw/zinc/40/06/60/553400660.db2.gz AQBQWLFWGUFGHG-YHAMSUFESA-N 0 0 511.579 2.103 50 0 KEAARN Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012595469 553400605 /nfs/dbraw/zinc/40/06/05/553400605.db2.gz AQBQWLFWGUFGHG-DXPJPUQTSA-N 0 0 511.579 2.103 50 0 KEAARN Cc1c(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012595474 553400652 /nfs/dbraw/zinc/40/06/52/553400652.db2.gz AQBQWLFWGUFGHG-QMTYFTJSSA-N 0 0 511.579 2.103 50 0 KEAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)n1 ZINC000012603907 553402215 /nfs/dbraw/zinc/40/22/15/553402215.db2.gz HPJKNBSEIPTOLZ-UHFFFAOYSA-N 0 0 523.681 2.320 50 0 KEAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012608632 553402372 /nfs/dbraw/zinc/40/23/72/553402372.db2.gz JXXFGMVNGIGLOD-UHFFFAOYSA-N 0 0 512.554 2.487 50 0 KEAARN COc1ccc(N[C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000012609940 553402406 /nfs/dbraw/zinc/40/24/06/553402406.db2.gz MHIMCMGCKRJHBY-KRWDZBQOSA-N 0 0 523.995 2.431 50 0 KEAARN COC(=O)c1c2c(sc1NC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CCC2 ZINC000012616668 553402738 /nfs/dbraw/zinc/40/27/38/553402738.db2.gz JYRJAFWRQSSQLA-UHFFFAOYSA-N 0 0 522.601 2.148 50 0 KEAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000012620958 553403521 /nfs/dbraw/zinc/40/35/21/553403521.db2.gz ALQQKUXLMBIIOO-UHFFFAOYSA-N 0 0 501.005 2.190 50 0 KEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000012621920 553403952 /nfs/dbraw/zinc/40/39/52/553403952.db2.gz RREJMSLPLZISOM-UHFFFAOYSA-N 0 0 518.544 2.230 50 0 KEAARN C[C@@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000012622281 553403981 /nfs/dbraw/zinc/40/39/81/553403981.db2.gz XAMUSTBTPYACMI-AWEZNQCLSA-N 0 0 519.963 2.291 50 0 KEAARN C[C@H](C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000012622285 553403899 /nfs/dbraw/zinc/40/38/99/553403899.db2.gz XAMUSTBTPYACMI-CQSZACIVSA-N 0 0 519.963 2.291 50 0 KEAARN CCOC(=O)N1CCN(C(=O)Nc2cc(NC(=O)N3CCN(C(=O)OCC)CC3)c(C)nc2C)CC1 ZINC000012622953 553404069 /nfs/dbraw/zinc/40/40/69/553404069.db2.gz RVAWUSHSAJTMNN-UHFFFAOYSA-N 0 0 505.576 2.310 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000012625667 553405005 /nfs/dbraw/zinc/40/50/05/553405005.db2.gz KEMCNRIXLSXMAW-UHFFFAOYSA-N 0 0 505.637 2.075 50 0 KEAARN COc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)C(C)C)cc1 ZINC000012631099 553405669 /nfs/dbraw/zinc/40/56/69/553405669.db2.gz UBPCOCYFDAIAJN-QHCPKHFHSA-N 0 0 505.593 2.017 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012633020 553405911 /nfs/dbraw/zinc/40/59/11/553405911.db2.gz OMRQLLVKCXNQQH-UHFFFAOYSA-N 0 0 507.634 2.443 50 0 KEAARN CCOC(=O)Nc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc(=O)oc2c1 ZINC000012635081 553406615 /nfs/dbraw/zinc/40/66/15/553406615.db2.gz YJIHSOBMJMONDK-UHFFFAOYSA-N 0 0 517.516 2.342 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc(-c2ccccc2)cn1N ZINC000012639924 553408102 /nfs/dbraw/zinc/40/81/02/553408102.db2.gz YFXDSWXPCHYURW-UHFFFAOYSA-N 0 0 503.606 2.024 50 0 KEAARN CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000012640541 553408057 /nfs/dbraw/zinc/40/80/57/553408057.db2.gz IDOIFDKKYYSYDJ-OAQYLSRUSA-N 0 0 507.056 2.096 50 0 KEAARN CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000012640545 553408129 /nfs/dbraw/zinc/40/81/29/553408129.db2.gz IDOIFDKKYYSYDJ-NRFANRHFSA-N 0 0 507.056 2.096 50 0 KEAARN O=C(CN1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012641356 553408274 /nfs/dbraw/zinc/40/82/74/553408274.db2.gz SERKJRBCXVADCI-HZPDHXFCSA-N 0 0 512.916 2.393 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)nc(CN2CCOCC2)[nH]c3=O)ccc1C ZINC000012643361 553408626 /nfs/dbraw/zinc/40/86/26/553408626.db2.gz CTVMRQLMORWTPQ-UHFFFAOYSA-N 0 0 513.620 2.347 50 0 KEAARN Cn1c2nc(SCC(=O)N3CCCCC3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000012647425 553409138 /nfs/dbraw/zinc/40/91/38/553409138.db2.gz RQYOOWCBLBTNKC-UHFFFAOYSA-N 0 0 506.426 2.349 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccc1C ZINC000012649347 553409369 /nfs/dbraw/zinc/40/93/69/553409369.db2.gz ZZXKOFLTVPRZAQ-UHFFFAOYSA-N 0 0 513.613 2.438 50 0 KEAARN O=C(/C=C/c1ccc2c(c1)OCO2)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000012650101 553409358 /nfs/dbraw/zinc/40/93/58/553409358.db2.gz IURYSIZTKIIZQF-QHHAFSJGSA-N 0 0 508.936 2.285 50 0 KEAARN COc1cc(C(=O)NC(=S)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc(OC)c1OC ZINC000012651311 553409730 /nfs/dbraw/zinc/40/97/30/553409730.db2.gz WRNUQTCWESRNPP-UHFFFAOYSA-N 0 0 509.606 2.169 50 0 KEAARN CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012653388 553410148 /nfs/dbraw/zinc/41/01/48/553410148.db2.gz VYBNFAIXPSLVAA-QHCPKHFHSA-N 0 0 512.010 2.020 50 0 KEAARN CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012653393 553410157 /nfs/dbraw/zinc/41/01/57/553410157.db2.gz VYBNFAIXPSLVAA-HSZRJFAPSA-N 0 0 512.010 2.020 50 0 KEAARN COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC ZINC000012657572 553410731 /nfs/dbraw/zinc/41/07/31/553410731.db2.gz AQMOJFPBWHJYLY-UHFFFAOYSA-N 0 0 500.957 2.341 50 0 KEAARN Cc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(C)c1 ZINC000012658175 553411159 /nfs/dbraw/zinc/41/11/59/553411159.db2.gz KOYKISMFUXFACU-UHFFFAOYSA-N 0 0 509.650 2.270 50 0 KEAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662143 553412433 /nfs/dbraw/zinc/41/24/33/553412433.db2.gz AXVDXTFGRBBDAA-IQMFZBJNSA-N 0 0 514.487 2.306 50 0 biogenic KEAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662145 553412424 /nfs/dbraw/zinc/41/24/24/553412424.db2.gz AXVDXTFGRBBDAA-CMJOXMDJSA-N 0 0 514.487 2.306 50 0 biogenic KEAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662680 553412604 /nfs/dbraw/zinc/41/26/04/553412604.db2.gz WDILCRRJVPQYJF-HHJKRLRDSA-N 0 0 521.526 2.246 50 0 biogenic KEAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662683 553412636 /nfs/dbraw/zinc/41/26/36/553412636.db2.gz WDILCRRJVPQYJF-XHNVNVPESA-N 0 0 521.526 2.246 50 0 biogenic KEAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662685 553412556 /nfs/dbraw/zinc/41/25/56/553412556.db2.gz WDILCRRJVPQYJF-WYEJZRMESA-N 0 0 521.526 2.246 50 0 biogenic KEAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000012662687 553412652 /nfs/dbraw/zinc/41/26/52/553412652.db2.gz WDILCRRJVPQYJF-MHPIHPPYSA-N 0 0 521.526 2.246 50 0 biogenic KEAARN COCCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000012689304 553413045 /nfs/dbraw/zinc/41/30/45/553413045.db2.gz NHFVAZROTOVPFN-UHFFFAOYSA-N 0 0 525.562 2.233 50 0 KEAARN CC(C)CCNc1nc(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000012692393 553413019 /nfs/dbraw/zinc/41/30/19/553413019.db2.gz CHQYTCNVWLHHPO-UHFFFAOYSA-N 0 0 510.638 2.095 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 ZINC000012692849 553412994 /nfs/dbraw/zinc/41/29/94/553412994.db2.gz KRQOTGQYNLPWMS-UHFFFAOYSA-N 0 0 501.609 2.286 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000012694490 553413099 /nfs/dbraw/zinc/41/30/99/553413099.db2.gz WUAXZRNVECSOLX-UHFFFAOYSA-N 0 0 503.646 2.252 50 0 KEAARN COc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000012695440 553413157 /nfs/dbraw/zinc/41/31/57/553413157.db2.gz DQRRITYHHWBCAA-LJQANCHMSA-N 0 0 506.602 2.130 50 0 KEAARN COc1ccc(NC(=O)CSCC(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000012695448 553413160 /nfs/dbraw/zinc/41/31/60/553413160.db2.gz DQRRITYHHWBCAA-IBGZPJMESA-N 0 0 506.602 2.130 50 0 KEAARN CCOc1ccc(NC(=O)COC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012697818 553413335 /nfs/dbraw/zinc/41/33/35/553413335.db2.gz HIVQXNICATYEFP-LJQANCHMSA-N 0 0 524.617 2.438 50 0 KEAARN CCOc1ccc(NC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012697823 553413351 /nfs/dbraw/zinc/41/33/51/553413351.db2.gz HIVQXNICATYEFP-IBGZPJMESA-N 0 0 524.617 2.438 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012700570 553413350 /nfs/dbraw/zinc/41/33/50/553413350.db2.gz WHDULVGXCWLIPA-UHFFFAOYSA-N 0 0 517.551 2.392 50 0 KEAARN O=C(COC(=O)c1ccc(OC(F)F)cc1)NCCNC(=O)COC(=O)c1ccc(OC(F)F)cc1 ZINC000012768907 553420784 /nfs/dbraw/zinc/42/07/84/553420784.db2.gz COQVQLMCNRQWJQ-UHFFFAOYSA-N 0 0 516.400 2.136 50 0 KEAARN O=C(COC(=O)C[C@@H]1Oc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012769182 553420790 /nfs/dbraw/zinc/42/07/90/553420790.db2.gz SYXNKHNURYUAIR-IBGZPJMESA-N 0 0 507.952 2.396 50 0 KEAARN O=C(COC(=O)C[C@H]1Oc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012769189 553420787 /nfs/dbraw/zinc/42/07/87/553420787.db2.gz SYXNKHNURYUAIR-LJQANCHMSA-N 0 0 507.952 2.396 50 0 KEAARN CCOC(=O)C1=C(COC(=O)CCn2nc(-c3cccs3)oc2=O)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012782242 553420801 /nfs/dbraw/zinc/42/08/01/553420801.db2.gz QQRXKBSZNUZIDS-GOSISDBHSA-N 0 0 502.505 2.271 50 0 KEAARN CCOC(=O)C1=C(COC(=O)CCn2nc(-c3cccs3)oc2=O)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012782248 553420779 /nfs/dbraw/zinc/42/07/79/553420779.db2.gz QQRXKBSZNUZIDS-SFHVURJKSA-N 0 0 502.505 2.271 50 0 KEAARN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)c1 ZINC000012790224 553420805 /nfs/dbraw/zinc/42/08/05/553420805.db2.gz FVMBSVXAXUGVBU-AWEZNQCLSA-N 0 0 512.009 2.074 50 0 KEAARN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)CC2)c1 ZINC000012790231 553420768 /nfs/dbraw/zinc/42/07/68/553420768.db2.gz FVMBSVXAXUGVBU-CQSZACIVSA-N 0 0 512.009 2.074 50 0 KEAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1 ZINC000012794132 553421016 /nfs/dbraw/zinc/42/10/16/553421016.db2.gz FMELRYFVZMXXMI-UHFFFAOYSA-N 0 0 503.606 2.242 50 0 KEAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC(F)F)c2)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012800001 553421058 /nfs/dbraw/zinc/42/10/58/553421058.db2.gz QRWXIEMWFAYOPR-LJQANCHMSA-N 0 0 507.446 2.334 50 0 KEAARN CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC(F)F)c2)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012800007 553420923 /nfs/dbraw/zinc/42/09/23/553420923.db2.gz QRWXIEMWFAYOPR-IBGZPJMESA-N 0 0 507.446 2.334 50 0 KEAARN COc1ccc(Cl)cc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1cc(Cl)ccc1OC ZINC000012808713 553420997 /nfs/dbraw/zinc/42/09/97/553420997.db2.gz NMLHQQADAJHBBO-UHFFFAOYSA-N 0 0 513.330 2.257 50 0 KEAARN CCC(=O)N(c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)s1)C1CC1 ZINC000012820558 553421189 /nfs/dbraw/zinc/42/11/89/553421189.db2.gz YJYZKEQRLAXPQJ-UHFFFAOYSA-N 0 0 509.679 2.377 50 0 KEAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000012825691 553421183 /nfs/dbraw/zinc/42/11/83/553421183.db2.gz NORITFZKLZPOQL-UHFFFAOYSA-N 0 0 500.982 2.324 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O ZINC000012851005 553422090 /nfs/dbraw/zinc/42/20/90/553422090.db2.gz XAKDNWBWZBLNBR-UHFFFAOYSA-N 0 0 505.641 2.396 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C ZINC000012856515 553422494 /nfs/dbraw/zinc/42/24/94/553422494.db2.gz XZXMWXJAGPBWCK-KRWDZBQOSA-N 0 0 521.592 2.322 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1C ZINC000012856524 553422444 /nfs/dbraw/zinc/42/24/44/553422444.db2.gz XZXMWXJAGPBWCK-QGZVFWFLSA-N 0 0 521.592 2.322 50 0 KEAARN CCOC(=O)C1=NO[C@@H](CNC(=O)C2=NO[C@H](CNC(=O)c3c(C)onc3-c3ccccc3Cl)C2)C1 ZINC000012859396 553422781 /nfs/dbraw/zinc/42/27/81/553422781.db2.gz JGYBLEIUOMVEGQ-UONOGXRCSA-N 0 0 517.926 2.002 50 0 KEAARN CCOC(=O)C1=NO[C@H](CNC(=O)C2=NO[C@@H](CNC(=O)c3c(C)onc3-c3ccccc3Cl)C2)C1 ZINC000012859403 553422823 /nfs/dbraw/zinc/42/28/23/553422823.db2.gz JGYBLEIUOMVEGQ-KGLIPLIRSA-N 0 0 517.926 2.002 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c(=O)[nH]c1=O ZINC000012860891 553422926 /nfs/dbraw/zinc/42/29/26/553422926.db2.gz QNVLYBONMUROQU-UHFFFAOYSA-N 0 0 535.667 2.017 50 0 KEAARN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 ZINC000012864184 553423301 /nfs/dbraw/zinc/42/33/01/553423301.db2.gz OAWCVDIHMTVSBA-XXBNENTESA-N 0 0 521.680 2.338 50 0 biogenic KEAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000012864348 553423265 /nfs/dbraw/zinc/42/32/65/553423265.db2.gz FVIBWHVCUMNZLO-RXVVDRJESA-N 0 0 516.639 2.454 50 0 biogenic KEAARN CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000012864983 553423285 /nfs/dbraw/zinc/42/32/85/553423285.db2.gz JVPRGNILQOYVAN-QFIPXVFZSA-N 0 0 513.639 2.485 50 0 biogenic KEAARN CC(C)CN(C(=O)CCC(=O)OCC(=O)c1ccc(F)c(F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012867052 553423613 /nfs/dbraw/zinc/42/36/13/553423613.db2.gz TUFPMLGVLOEHRT-UHFFFAOYSA-N 0 0 508.522 2.248 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c(=O)[nH]c1=O ZINC000012867078 553423654 /nfs/dbraw/zinc/42/36/54/553423654.db2.gz VOVMBCDWAHZWHE-ROUUACIJSA-N 0 0 535.667 2.020 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c(=O)[nH]c1=O ZINC000012867084 553423661 /nfs/dbraw/zinc/42/36/61/553423661.db2.gz VOVMBCDWAHZWHE-QZTJIDSGSA-N 0 0 535.667 2.020 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c(=O)[nH]c1=O ZINC000012867090 553423615 /nfs/dbraw/zinc/42/36/15/553423615.db2.gz VOVMBCDWAHZWHE-HDICACEKSA-N 0 0 535.667 2.020 50 0 KEAARN CN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012867635 553423882 /nfs/dbraw/zinc/42/38/82/553423882.db2.gz GXFBCNPOJVPFPP-UHFFFAOYSA-N 0 0 500.939 2.184 50 0 KEAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1 ZINC000012869388 553423860 /nfs/dbraw/zinc/42/38/60/553423860.db2.gz SJXQWERTDHYGKS-OAQYLSRUSA-N 0 0 511.025 2.010 50 0 KEAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1 ZINC000012869400 553423830 /nfs/dbraw/zinc/42/38/30/553423830.db2.gz SJXQWERTDHYGKS-NRFANRHFSA-N 0 0 511.025 2.010 50 0 KEAARN CCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OCC ZINC000012871762 553423932 /nfs/dbraw/zinc/42/39/32/553423932.db2.gz HIQOWLBJJOVZEG-UHFFFAOYSA-N 0 0 503.621 2.309 50 0 KEAARN CN(C(=O)COC(=O)C=Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012875074 553424573 /nfs/dbraw/zinc/42/45/73/553424573.db2.gz HNSGXBOQGLDEEF-FMIVXFBMSA-N 0 0 502.449 2.405 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(F)cc3)CC2)cc1C ZINC000012875457 553424709 /nfs/dbraw/zinc/42/47/09/553424709.db2.gz VFPMEYPOKWEKRT-UHFFFAOYSA-N 0 0 519.595 2.484 50 0 KEAARN CCOC(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc(C(=O)OCC)c1 ZINC000012876818 553424724 /nfs/dbraw/zinc/42/47/24/553424724.db2.gz KGZCQNYQZYLVDN-UHFFFAOYSA-N 0 0 510.590 2.304 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000012877213 553424909 /nfs/dbraw/zinc/42/49/09/553424909.db2.gz QARONGWDQTZCCJ-INIZCTEOSA-N 0 0 503.577 2.489 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000012877218 553424942 /nfs/dbraw/zinc/42/49/42/553424942.db2.gz QARONGWDQTZCCJ-MRXNPFEDSA-N 0 0 503.577 2.489 50 0 KEAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012881806 553425660 /nfs/dbraw/zinc/42/56/60/553425660.db2.gz OZNCYQXVGWTHAE-UHFFFAOYSA-N 0 0 505.540 2.427 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000012881861 553425634 /nfs/dbraw/zinc/42/56/34/553425634.db2.gz SJGZGVWAKSOZQH-OAQYLSRUSA-N 0 0 507.591 2.460 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000012881870 553425695 /nfs/dbraw/zinc/42/56/95/553425695.db2.gz SJGZGVWAKSOZQH-NRFANRHFSA-N 0 0 507.591 2.460 50 0 KEAARN COc1ccc(NC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1S(N)(=O)=O ZINC000012888336 553426335 /nfs/dbraw/zinc/42/63/35/553426335.db2.gz LNMARZUKQZCUAH-UHFFFAOYSA-N 0 0 511.965 2.122 50 0 KEAARN C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)c1ccccc1 ZINC000012889316 553426485 /nfs/dbraw/zinc/42/64/85/553426485.db2.gz OIPATMUGKZSSKM-OAVPIMDZSA-N 0 0 522.627 2.207 50 0 biogenic KEAARN C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)c1ccccc1 ZINC000012889324 553426546 /nfs/dbraw/zinc/42/65/46/553426546.db2.gz OIPATMUGKZSSKM-LIUBOXQOSA-N 0 0 522.627 2.207 50 0 biogenic KEAARN C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 ZINC000012889329 553426520 /nfs/dbraw/zinc/42/65/20/553426520.db2.gz OIPATMUGKZSSKM-PWNAHLAVSA-N 0 0 522.627 2.207 50 0 biogenic KEAARN C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 ZINC000012889336 553426547 /nfs/dbraw/zinc/42/65/47/553426547.db2.gz OIPATMUGKZSSKM-AYTJWNHJSA-N 0 0 522.627 2.207 50 0 biogenic KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O ZINC000012889419 553426534 /nfs/dbraw/zinc/42/65/34/553426534.db2.gz CDLOGWFLQQPFGE-UHFFFAOYSA-N 0 0 519.558 2.008 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012892573 553426624 /nfs/dbraw/zinc/42/66/24/553426624.db2.gz ZIJLKZYKNRDEKG-UHFFFAOYSA-N 0 0 515.611 2.429 50 0 KEAARN CCn1cc(C(=O)N[C@@H](CCSC)C(=O)N2CCC(C(=O)OC)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000012895838 553426564 /nfs/dbraw/zinc/42/65/64/553426564.db2.gz FAYRULNZHRRHFL-SFHVURJKSA-N 0 0 517.604 2.013 50 0 biogenic KEAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 ZINC000012896834 553426767 /nfs/dbraw/zinc/42/67/67/553426767.db2.gz ZTJKSXJJBORMBI-DNVCBOLYSA-N 0 0 523.555 2.041 50 0 KEAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 ZINC000012896842 553426709 /nfs/dbraw/zinc/42/67/09/553426709.db2.gz ZTJKSXJJBORMBI-BEFAXECRSA-N 0 0 523.555 2.041 50 0 KEAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 ZINC000012896850 553426732 /nfs/dbraw/zinc/42/67/32/553426732.db2.gz ZTJKSXJJBORMBI-HNAYVOBHSA-N 0 0 523.555 2.041 50 0 KEAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1OCC(F)(F)F)CS2 ZINC000012896859 553426756 /nfs/dbraw/zinc/42/67/56/553426756.db2.gz ZTJKSXJJBORMBI-KXBFYZLASA-N 0 0 523.555 2.041 50 0 KEAARN CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000012897408 553426733 /nfs/dbraw/zinc/42/67/33/553426733.db2.gz KVCSQBTZAIHHAK-UHFFFAOYSA-N 0 0 522.558 2.125 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC[C@@H](C)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012897492 553426769 /nfs/dbraw/zinc/42/67/69/553426769.db2.gz VOVFCVUHLYCNID-GOSISDBHSA-N 0 0 507.632 2.024 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC[C@H](C)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012897500 553426721 /nfs/dbraw/zinc/42/67/21/553426721.db2.gz VOVFCVUHLYCNID-SFHVURJKSA-N 0 0 507.632 2.024 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CCNC(=O)c2ccc(Br)cc2)c(=O)[nH]c1=O ZINC000012900202 553426710 /nfs/dbraw/zinc/42/67/10/553426710.db2.gz NYIWDILDVVNWDF-UHFFFAOYSA-N 0 0 508.417 2.491 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000012901411 553426775 /nfs/dbraw/zinc/42/67/75/553426775.db2.gz IASQOINFSDNJIK-UHFFFAOYSA-N 0 0 518.588 2.290 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)NC1CCC(C)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012902490 553426752 /nfs/dbraw/zinc/42/67/52/553426752.db2.gz AFDAXZSMAPAZLV-UHFFFAOYSA-N 0 0 521.659 2.460 50 0 KEAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000012902617 553426747 /nfs/dbraw/zinc/42/67/47/553426747.db2.gz DNXROYIOXZBVON-UHFFFAOYSA-N 0 0 506.378 2.249 50 0 KEAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000012909612 553427089 /nfs/dbraw/zinc/42/70/89/553427089.db2.gz YAHBOCXKRNFVKG-UHFFFAOYSA-N 0 0 505.394 2.151 50 0 KEAARN CC(C)CN(C(=O)COC(=O)C=Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012909621 553427103 /nfs/dbraw/zinc/42/71/03/553427103.db2.gz ZIYMRYRNWRNBSV-PKNBQFBNSA-N 0 0 520.542 2.141 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000012913354 553427062 /nfs/dbraw/zinc/42/70/62/553427062.db2.gz ITTJXKZPYGKRFF-UHFFFAOYSA-N 0 0 505.641 2.009 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2C)C3=O)c(=O)[nH]c1=O ZINC000012914622 553427057 /nfs/dbraw/zinc/42/70/57/553427057.db2.gz HMGBPUTVOVDHNF-UHFFFAOYSA-N 0 0 519.558 2.321 50 0 KEAARN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012914640 553427364 /nfs/dbraw/zinc/42/73/64/553427364.db2.gz SHMJMLFXPKFACF-UHFFFAOYSA-N 0 0 513.663 2.125 50 0 KEAARN COCCN(C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012916812 553427345 /nfs/dbraw/zinc/42/73/45/553427345.db2.gz QOFARPPFAZBDNX-UHFFFAOYSA-N 0 0 519.558 2.102 50 0 KEAARN COc1ccc(OCCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000012921599 553427316 /nfs/dbraw/zinc/42/73/16/553427316.db2.gz CIXVJGNRVTZMGX-UHFFFAOYSA-N 0 0 524.574 2.177 50 0 KEAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000012923183 553427557 /nfs/dbraw/zinc/42/75/57/553427557.db2.gz RTASTHNEIIUBGO-UHFFFAOYSA-N 0 0 506.378 2.249 50 0 KEAARN CN(C(=O)COC(=O)CSCc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012923446 553427431 /nfs/dbraw/zinc/42/74/31/553427431.db2.gz JHUPSMQGOVXYHE-UHFFFAOYSA-N 0 0 502.980 2.260 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)c(=O)[nH]c1=O ZINC000012927714 553427726 /nfs/dbraw/zinc/42/77/26/553427726.db2.gz MXFRFBFJQOTQKC-UHFFFAOYSA-N 0 0 529.667 2.436 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000012928330 553427707 /nfs/dbraw/zinc/42/77/07/553427707.db2.gz CLKNTHQXWLCWON-UHFFFAOYSA-N 0 0 518.588 2.290 50 0 KEAARN COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)cc2C1=O ZINC000012929094 553427701 /nfs/dbraw/zinc/42/77/01/553427701.db2.gz VJZXXYHZDOINAT-UHFFFAOYSA-N 0 0 508.936 2.172 50 0 KEAARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)C1 ZINC000012932816 553427697 /nfs/dbraw/zinc/42/76/97/553427697.db2.gz JONWYNZMOVWZQX-QGZVFWFLSA-N 0 0 527.690 2.371 50 0 KEAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)C1 ZINC000012932822 553427721 /nfs/dbraw/zinc/42/77/21/553427721.db2.gz JONWYNZMOVWZQX-KRWDZBQOSA-N 0 0 527.690 2.371 50 0 KEAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012935363 553428007 /nfs/dbraw/zinc/42/80/07/553428007.db2.gz IALLWFPKUDQIRG-MRXNPFEDSA-N 0 0 509.606 2.083 50 0 KEAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000012935368 553427971 /nfs/dbraw/zinc/42/79/71/553427971.db2.gz IALLWFPKUDQIRG-INIZCTEOSA-N 0 0 509.606 2.083 50 0 KEAARN CC(C)CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000012938040 553427977 /nfs/dbraw/zinc/42/79/77/553427977.db2.gz PKDYQEMWNHVJTM-CQSZACIVSA-N 0 0 501.026 2.499 50 0 KEAARN CC(C)CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000012938045 553427948 /nfs/dbraw/zinc/42/79/48/553427948.db2.gz PKDYQEMWNHVJTM-AWEZNQCLSA-N 0 0 501.026 2.499 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000012939684 553428001 /nfs/dbraw/zinc/42/80/01/553428001.db2.gz YEICSEGONYWDBE-DEOSSOPVSA-N 0 0 518.592 2.140 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000012939689 553427940 /nfs/dbraw/zinc/42/79/40/553427940.db2.gz YEICSEGONYWDBE-XMMPIXPASA-N 0 0 518.592 2.140 50 0 KEAARN CCCCn1c(N)c(N(CC)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)c(=O)[nH]c1=O ZINC000012941166 553427955 /nfs/dbraw/zinc/42/79/55/553427955.db2.gz QPSOAKGZOJHYMY-UHFFFAOYSA-N 0 0 521.640 2.159 50 0 KEAARN COc1cc(C=CC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)ccc1O ZINC000012946231 553428151 /nfs/dbraw/zinc/42/81/51/553428151.db2.gz PMENVUPYEUQJGQ-ZRDIBKRKSA-N 0 0 522.558 2.127 50 0 KEAARN CCOc1ccc(CCNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OCC ZINC000012950693 553428343 /nfs/dbraw/zinc/42/83/43/553428343.db2.gz CJPBQSACLGBWIA-UHFFFAOYSA-N 0 0 520.604 2.021 50 0 KEAARN Cc1c(CCO)c(=O)n(-c2ccccc2)n1S(=O)(=O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC000012953291 553428971 /nfs/dbraw/zinc/42/89/71/553428971.db2.gz NYHFEPAJVJPACY-UHFFFAOYSA-N 0 0 509.506 2.166 50 0 KEAARN O=C(C1=NO[C@@H]2[C@H]3C[C@H]([C@H]4C(=O)N(CCNc5ncc(C(F)(F)F)cc5Cl)C(=O)[C@H]43)[C@@H]12)N1CCCC1 ZINC000012956018 553429547 /nfs/dbraw/zinc/42/95/47/553429547.db2.gz GUSGYQPWCNAVBH-KBEANUMRSA-N 0 0 525.915 2.410 50 0 KEAARN O=C(C1=NO[C@@H]2[C@H]3C[C@@H]([C@@H]12)[C@@H]1C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@@H]31)N1CCCC1 ZINC000012956022 553429566 /nfs/dbraw/zinc/42/95/66/553429566.db2.gz GUSGYQPWCNAVBH-LVPZQSSXSA-N 0 0 525.915 2.410 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012978568 553431439 /nfs/dbraw/zinc/43/14/39/553431439.db2.gz AFHRMNLDFOHPFI-SFHVURJKSA-N 0 0 507.632 2.167 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC[C@H]1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012978570 553431420 /nfs/dbraw/zinc/43/14/20/553431420.db2.gz AFHRMNLDFOHPFI-GOSISDBHSA-N 0 0 507.632 2.167 50 0 KEAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000012981925 553431454 /nfs/dbraw/zinc/43/14/54/553431454.db2.gz CDTPHSLIGYTBHG-UHFFFAOYSA-N 0 0 506.378 2.249 50 0 KEAARN CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)NCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012985900 553431620 /nfs/dbraw/zinc/43/16/20/553431620.db2.gz AUVXIYFVGIWWDF-IBGZPJMESA-N 0 0 529.638 2.470 50 0 KEAARN CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)NCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012985902 553431656 /nfs/dbraw/zinc/43/16/56/553431656.db2.gz AUVXIYFVGIWWDF-LJQANCHMSA-N 0 0 529.638 2.470 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC(C)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012987406 553431643 /nfs/dbraw/zinc/43/16/43/553431643.db2.gz LHUDNOGQYRDNLZ-UHFFFAOYSA-N 0 0 507.632 2.024 50 0 KEAARN COC(=O)C1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000012988733 553431677 /nfs/dbraw/zinc/43/16/77/553431677.db2.gz AUNAHTDFTAGLAR-UHFFFAOYSA-N 0 0 521.419 2.349 50 0 KEAARN CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)ccc21 ZINC000012991441 553431670 /nfs/dbraw/zinc/43/16/70/553431670.db2.gz NRFQLALZDUBMSE-VWLOTQADSA-N 0 0 513.572 2.210 50 0 KEAARN CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)ccc21 ZINC000012991444 553431698 /nfs/dbraw/zinc/43/16/98/553431698.db2.gz NRFQLALZDUBMSE-RUZDIDTESA-N 0 0 513.572 2.210 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccc1C ZINC000013000484 553431800 /nfs/dbraw/zinc/43/18/00/553431800.db2.gz NGWAITGJUHKEFT-UHFFFAOYSA-N 0 0 512.588 2.426 50 0 KEAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000013001999 553431832 /nfs/dbraw/zinc/43/18/32/553431832.db2.gz PSXIXBLSNVWFNR-UHFFFAOYSA-N 0 0 509.563 2.161 50 0 KEAARN CCCN(C(=O)CSCC(=O)Nc1ccc(OC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013003305 553432028 /nfs/dbraw/zinc/43/20/28/553432028.db2.gz UQQVFXRKZUWNHY-UHFFFAOYSA-N 0 0 511.604 2.291 50 0 KEAARN Cc1ccc(C)c(OCCC(=O)OCC(=O)NCCNC(=O)COC(=O)CCOc2cc(C)ccc2C)c1 ZINC000013003816 553432026 /nfs/dbraw/zinc/43/20/26/553432026.db2.gz WXRVOTBIVKUDQM-UHFFFAOYSA-N 0 0 528.602 2.477 50 0 KEAARN O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000013004627 553432035 /nfs/dbraw/zinc/43/20/35/553432035.db2.gz DMSCZLBYKKEWDS-UHFFFAOYSA-N 0 0 511.478 2.385 50 0 KEAARN COC(=O)c1sc(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c(C(=O)OC)c1C ZINC000013004664 553432038 /nfs/dbraw/zinc/43/20/38/553432038.db2.gz JNEYVOQEXLYVSJ-UHFFFAOYSA-N 0 0 508.618 2.440 50 0 KEAARN CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 ZINC000013005179 553432048 /nfs/dbraw/zinc/43/20/48/553432048.db2.gz HNYQVUIJDREIAC-UHFFFAOYSA-N 0 0 523.652 2.165 50 0 KEAARN COc1ccc(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000013005304 553432046 /nfs/dbraw/zinc/43/20/46/553432046.db2.gz ITDHCLAYXPIMTC-UHFFFAOYSA-N 0 0 503.621 2.281 50 0 KEAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000013007235 553432214 /nfs/dbraw/zinc/43/22/14/553432214.db2.gz IUUZYSKEVBOQAJ-QGZVFWFLSA-N 0 0 502.456 2.369 50 0 KEAARN O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000013007236 553432288 /nfs/dbraw/zinc/43/22/88/553432288.db2.gz IUUZYSKEVBOQAJ-KRWDZBQOSA-N 0 0 502.456 2.369 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O ZINC000013009441 553432271 /nfs/dbraw/zinc/43/22/71/553432271.db2.gz KRUHKRZVYHWQFD-IVCQMTBJSA-N 0 0 504.632 2.045 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O ZINC000013009443 553432252 /nfs/dbraw/zinc/43/22/52/553432252.db2.gz KRUHKRZVYHWQFD-LMKMVOKYSA-N 0 0 504.632 2.045 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O ZINC000013009445 553432427 /nfs/dbraw/zinc/43/24/27/553432427.db2.gz KRUHKRZVYHWQFD-PUAOIOHZSA-N 0 0 504.632 2.045 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(=O)[nH]c1=O ZINC000013009447 553432430 /nfs/dbraw/zinc/43/24/30/553432430.db2.gz KRUHKRZVYHWQFD-CPJLOUKISA-N 0 0 504.632 2.045 50 0 KEAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000013009753 553432388 /nfs/dbraw/zinc/43/23/88/553432388.db2.gz SYKNNJONKUZARO-UHFFFAOYSA-N 0 0 516.439 2.137 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)CC1 ZINC000013009755 553432393 /nfs/dbraw/zinc/43/23/93/553432393.db2.gz LQFKCYHQOFJDDS-UHFFFAOYSA-N 0 0 527.690 2.371 50 0 KEAARN CCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013009925 553432454 /nfs/dbraw/zinc/43/24/54/553432454.db2.gz DQTVLCZQOSFPMB-HSZRJFAPSA-N 0 0 519.689 2.232 50 0 KEAARN CCCN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013009927 553432416 /nfs/dbraw/zinc/43/24/16/553432416.db2.gz DQTVLCZQOSFPMB-QHCPKHFHSA-N 0 0 519.689 2.232 50 0 KEAARN CC(C)CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013010618 553432387 /nfs/dbraw/zinc/43/23/87/553432387.db2.gz QSZINMYHXGGZER-UHFFFAOYSA-N 0 0 503.559 2.423 50 0 KEAARN Cc1cc(C)cc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1 ZINC000013013135 553432609 /nfs/dbraw/zinc/43/26/09/553432609.db2.gz TZVXEJKFVXRSTP-UHFFFAOYSA-N 0 0 508.575 2.395 50 0 KEAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013013581 553432599 /nfs/dbraw/zinc/43/25/99/553432599.db2.gz XRKQGJVOWUSEFC-XMMPIXPASA-N 0 0 533.716 2.478 50 0 KEAARN CC(C)CN(C(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013013584 553432649 /nfs/dbraw/zinc/43/26/49/553432649.db2.gz XRKQGJVOWUSEFC-DEOSSOPVSA-N 0 0 533.716 2.478 50 0 KEAARN COc1ccc(CCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000013014948 553432827 /nfs/dbraw/zinc/43/28/27/553432827.db2.gz OBJKEAMKUDOSRR-UHFFFAOYSA-N 0 0 508.575 2.341 50 0 KEAARN CCOc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)cc1OCC ZINC000013015350 553432836 /nfs/dbraw/zinc/43/28/36/553432836.db2.gz OWFZIFWYHCUCOR-UHFFFAOYSA-N 0 0 509.537 2.171 50 0 KEAARN O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc2[nH]c(=O)[nH]c2cc1Br ZINC000013017147 553433042 /nfs/dbraw/zinc/43/30/42/553433042.db2.gz SYCSPBZNDGCDKT-UHFFFAOYSA-N 0 0 504.265 2.411 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc3ccccc32)c(N)n(Cc2ccccc2)c1=O ZINC000013018258 553433198 /nfs/dbraw/zinc/43/31/98/553433198.db2.gz MCDGTJIRLNYLOP-UHFFFAOYSA-N 0 0 501.495 2.006 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000013019787 553433178 /nfs/dbraw/zinc/43/31/78/553433178.db2.gz CRFQJNLWUJTDEL-UHFFFAOYSA-N 0 0 517.551 2.392 50 0 KEAARN O=C(COC(=O)c1cccc(OC(F)F)c1)NCCNC(=O)COC(=O)c1cccc(OC(F)F)c1 ZINC000013019789 553433402 /nfs/dbraw/zinc/43/34/02/553433402.db2.gz ALEMRDLAEOEFAH-UHFFFAOYSA-N 0 0 516.400 2.136 50 0 KEAARN CCCCOc1ccc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)cc1 ZINC000013026774 553436342 /nfs/dbraw/zinc/43/63/42/553436342.db2.gz ULZCMFOOCKNSII-UHFFFAOYSA-N 0 0 523.542 2.032 50 0 KEAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)cc1 ZINC000013027856 553437488 /nfs/dbraw/zinc/43/74/88/553437488.db2.gz WXFAQDUCRJHOHC-UHFFFAOYSA-N 0 0 513.638 2.432 50 0 KEAARN O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 ZINC000013036907 553443289 /nfs/dbraw/zinc/44/32/89/553443289.db2.gz ISBPVLZPUKZETM-UHFFFAOYSA-N 0 0 513.530 2.228 50 0 KEAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000013038518 553443236 /nfs/dbraw/zinc/44/32/36/553443236.db2.gz ZHDZUDWKWGRQNO-CNJGYECJSA-N 0 0 500.602 2.011 50 0 KEAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000013038519 553443257 /nfs/dbraw/zinc/44/32/57/553443257.db2.gz ZHDZUDWKWGRQNO-SCWSXOCZSA-N 0 0 500.602 2.011 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)CCSc2ccc(C)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000013040878 553443242 /nfs/dbraw/zinc/44/32/42/553443242.db2.gz NFFBPLQPHIEOIO-UHFFFAOYSA-N 0 0 525.583 2.030 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000013058761 553443511 /nfs/dbraw/zinc/44/35/11/553443511.db2.gz PVLPUQUJVKYESN-UHFFFAOYSA-N 0 0 507.543 2.151 50 0 KEAARN COc1ccc(OC)c(CN2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)c1 ZINC000013060498 553443558 /nfs/dbraw/zinc/44/35/58/553443558.db2.gz CVWREXIRESDSJJ-UHFFFAOYSA-N 0 0 524.039 2.336 50 0 KEAARN CCn1c(N)c(C(=O)COC(=O)C=Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c(=O)[nH]c1=O ZINC000013063092 553443557 /nfs/dbraw/zinc/44/35/57/553443557.db2.gz OITVWKOAMZULOE-CMDGGOBGSA-N 0 0 506.346 2.438 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000013063672 553443666 /nfs/dbraw/zinc/44/36/66/553443666.db2.gz DTXUVWSXPILRPF-GFWHJHDHSA-N 0 0 504.565 2.227 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000013063677 553443686 /nfs/dbraw/zinc/44/36/86/553443686.db2.gz DTXUVWSXPILRPF-XIDKLXSXSA-N 0 0 504.565 2.227 50 0 KEAARN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 ZINC000013068366 553444514 /nfs/dbraw/zinc/44/45/14/553444514.db2.gz XSNUBGHYBBIBDD-ZCRIDZFUSA-N 0 0 517.336 2.327 50 0 KEAARN COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 ZINC000013068368 553444648 /nfs/dbraw/zinc/44/46/48/553444648.db2.gz XSNUBGHYBBIBDD-FZKGZDJFSA-N 0 0 517.336 2.327 50 0 KEAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O ZINC000013095529 553445966 /nfs/dbraw/zinc/44/59/66/553445966.db2.gz APNSRDLRKVCBAA-SPLOXXLWSA-N 0 0 517.073 2.371 50 0 KEAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O ZINC000013095530 553445884 /nfs/dbraw/zinc/44/58/84/553445884.db2.gz APNSRDLRKVCBAA-LHSJRXKWSA-N 0 0 517.073 2.371 50 0 KEAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O ZINC000013095531 553445915 /nfs/dbraw/zinc/44/59/15/553445915.db2.gz APNSRDLRKVCBAA-SZNDQCEHSA-N 0 0 517.073 2.371 50 0 KEAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(Cl)s3)CC1)C2=O ZINC000013095532 553445938 /nfs/dbraw/zinc/44/59/38/553445938.db2.gz APNSRDLRKVCBAA-QKKBWIMNSA-N 0 0 517.073 2.371 50 0 KEAARN O=C(CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)NC(=O)NC1CCCC1 ZINC000013095916 553446131 /nfs/dbraw/zinc/44/61/31/553446131.db2.gz GMDBKKVTDKAWIM-UHFFFAOYSA-N 0 0 517.677 2.449 50 0 KEAARN CCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccncc1 ZINC000013096047 553446253 /nfs/dbraw/zinc/44/62/53/553446253.db2.gz LBVFMJCBIVHAOY-UHFFFAOYSA-N 0 0 502.622 2.420 50 0 KEAARN COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc(OC)c1C ZINC000013097472 553446831 /nfs/dbraw/zinc/44/68/31/553446831.db2.gz BCSGTSKEPGGLMF-UHFFFAOYSA-N 0 0 505.593 2.122 50 0 KEAARN Nn1c(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC(F)F)cc1 ZINC000013098247 553446974 /nfs/dbraw/zinc/44/69/74/553446974.db2.gz AWPLZBLXUWRLKM-OAHLLOKOSA-N 0 0 501.581 2.311 50 0 KEAARN Nn1c(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC(F)F)cc1 ZINC000013098248 553446972 /nfs/dbraw/zinc/44/69/72/553446972.db2.gz AWPLZBLXUWRLKM-HNNXBMFYSA-N 0 0 501.581 2.311 50 0 KEAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000013098414 553446992 /nfs/dbraw/zinc/44/69/92/553446992.db2.gz LHLYQYYSSYQURC-UHFFFAOYSA-N 0 0 506.650 2.380 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000013112230 553448445 /nfs/dbraw/zinc/44/84/45/553448445.db2.gz RFVWITAOGKZUAN-UHFFFAOYSA-N 0 0 522.023 2.121 50 0 KEAARN CCCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013114289 553448764 /nfs/dbraw/zinc/44/87/64/553448764.db2.gz BZBRYJDQBQBZCL-UHFFFAOYSA-N 0 0 516.041 2.400 50 0 KEAARN Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000013114448 553448756 /nfs/dbraw/zinc/44/87/56/553448756.db2.gz BSJMSMXNEGLLMB-UHFFFAOYSA-N 0 0 511.648 2.355 50 0 KEAARN Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000013114451 553448774 /nfs/dbraw/zinc/44/87/74/553448774.db2.gz OLJABCADZFYTOJ-UHFFFAOYSA-N 0 0 510.041 2.144 50 0 KEAARN Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000013114542 553448761 /nfs/dbraw/zinc/44/87/61/553448761.db2.gz SKAOOMDLOULULN-UHFFFAOYSA-N 0 0 504.012 2.083 50 0 KEAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013117717 553449102 /nfs/dbraw/zinc/44/91/02/553449102.db2.gz ZACWOFHSNIRBSB-UHFFFAOYSA-N 0 0 526.634 2.450 50 0 KEAARN CCOc1ccccc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)N(CCOC)CCOC)c(O)c2c1 ZINC000013118824 553449109 /nfs/dbraw/zinc/44/91/09/553449109.db2.gz VWLUAQVZOLSPAX-UHFFFAOYSA-N 0 0 517.604 2.487 50 0 KEAARN CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O ZINC000013119606 553449117 /nfs/dbraw/zinc/44/91/17/553449117.db2.gz DWTBKPTZOJDCME-DEOSSOPVSA-N 0 0 519.023 2.339 50 0 KEAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O ZINC000013119607 553449085 /nfs/dbraw/zinc/44/90/85/553449085.db2.gz DWTBKPTZOJDCME-XMMPIXPASA-N 0 0 519.023 2.339 50 0 KEAARN O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000013122439 553449509 /nfs/dbraw/zinc/44/95/09/553449509.db2.gz AYUGYWUCQMDRJP-JCOOBLOPSA-N 0 0 523.567 2.170 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCc2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013128270 553449944 /nfs/dbraw/zinc/44/99/44/553449944.db2.gz XZYUZTMOYYSNKC-UHFFFAOYSA-N 0 0 527.622 2.355 50 0 KEAARN Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cc(C(N)=O)cc(C(N)=O)c4)cc3C2=O)c1 ZINC000013128908 553450283 /nfs/dbraw/zinc/45/02/83/553450283.db2.gz SKVDNGOHPCAPEV-UHFFFAOYSA-N 0 0 514.494 2.097 50 0 KEAARN COc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)ccc1OCC(=O)N1CCOCC1 ZINC000013129053 553450304 /nfs/dbraw/zinc/45/03/04/553450304.db2.gz HGAQJDJNJMQVTG-UHFFFAOYSA-N 0 0 508.535 2.109 50 0 KEAARN CCCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013129495 553450802 /nfs/dbraw/zinc/45/08/02/553450802.db2.gz ADLCOZQQCDEJMB-UHFFFAOYSA-N 0 0 506.588 2.250 50 0 KEAARN COc1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000013129518 553450745 /nfs/dbraw/zinc/45/07/45/553450745.db2.gz BINWTWLBFKHORC-UHFFFAOYSA-N 0 0 516.963 2.277 50 0 KEAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000013129839 553451003 /nfs/dbraw/zinc/45/10/03/553451003.db2.gz HZHPOBJRADMCEQ-FQEVSTJZSA-N 0 0 507.620 2.252 50 0 KEAARN O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000013129840 553451010 /nfs/dbraw/zinc/45/10/10/553451010.db2.gz HZHPOBJRADMCEQ-HXUWFJFHSA-N 0 0 507.620 2.252 50 0 KEAARN COc1ccc(CCNC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1OC ZINC000013130896 553451306 /nfs/dbraw/zinc/45/13/06/553451306.db2.gz OETGGEOSYSMDMU-DEOSSOPVSA-N 0 0 503.621 2.275 50 0 KEAARN COc1ccc(CCNC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1OC ZINC000013130898 553451388 /nfs/dbraw/zinc/45/13/88/553451388.db2.gz OETGGEOSYSMDMU-XMMPIXPASA-N 0 0 503.621 2.275 50 0 KEAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 ZINC000013131172 553451402 /nfs/dbraw/zinc/45/14/02/553451402.db2.gz WXJVIYLZSYUVTJ-UHFFFAOYSA-N 0 0 518.621 2.112 50 0 KEAARN COc1ccc(NC(=O)CNC(=O)c2ccccc2OC)cc1NC(=O)CNC(=O)c1ccccc1OC ZINC000013132217 553451723 /nfs/dbraw/zinc/45/17/23/553451723.db2.gz NSYCAWBUBZOONV-UHFFFAOYSA-N 0 0 520.542 2.449 50 0 KEAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013133796 553451867 /nfs/dbraw/zinc/45/18/67/553451867.db2.gz XIQMNPDVCBYRBR-JOCHJYFZSA-N 0 0 523.036 2.018 50 0 KEAARN O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013133797 553451822 /nfs/dbraw/zinc/45/18/22/553451822.db2.gz XIQMNPDVCBYRBR-QFIPXVFZSA-N 0 0 523.036 2.018 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013134404 553452123 /nfs/dbraw/zinc/45/21/23/553452123.db2.gz PGVIGGLXVHWIET-QFIPXVFZSA-N 0 0 514.600 2.375 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000013134405 553452127 /nfs/dbraw/zinc/45/21/27/553452127.db2.gz PGVIGGLXVHWIET-JOCHJYFZSA-N 0 0 514.600 2.375 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1ncc(Br)s1 ZINC000013134499 553452294 /nfs/dbraw/zinc/45/22/94/553452294.db2.gz UAQPTMRYKFTNDF-UHFFFAOYSA-N 0 0 504.384 2.030 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013134769 553452513 /nfs/dbraw/zinc/45/25/13/553452513.db2.gz FKGUZDXQWSHIME-UHFFFAOYSA-N 0 0 523.633 2.143 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3OC)CC2)cc1 ZINC000013135019 553452705 /nfs/dbraw/zinc/45/27/05/553452705.db2.gz BFPZLMXNNYXVBQ-UHFFFAOYSA-N 0 0 525.649 2.384 50 0 KEAARN COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1OC ZINC000013135377 553452725 /nfs/dbraw/zinc/45/27/25/553452725.db2.gz XMDFKUAFJPASHB-UHFFFAOYSA-N 0 0 519.620 2.133 50 0 KEAARN COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013135868 553452803 /nfs/dbraw/zinc/45/28/03/553452803.db2.gz YQEXRBANMLJIFH-UHFFFAOYSA-N 0 0 503.577 2.172 50 0 KEAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)N(CC)[C@H]4CCS(=O)(=O)C4)cc3C2=O)cc1 ZINC000013135895 553452818 /nfs/dbraw/zinc/45/28/18/553452818.db2.gz ICEWADUFRTZGMY-SFHVURJKSA-N 0 0 514.556 2.078 50 0 KEAARN CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nnc1-c1ccncc1 ZINC000013135932 553452844 /nfs/dbraw/zinc/45/28/44/553452844.db2.gz SJIAZVRXLMYUGQ-UHFFFAOYSA-N 0 0 518.621 2.120 50 0 KEAARN COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)cc1 ZINC000013136744 553453113 /nfs/dbraw/zinc/45/31/13/553453113.db2.gz TWRBGIYEIJKVHK-FQEVSTJZSA-N 0 0 504.609 2.358 50 0 KEAARN COc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@H]2CCCO2)cc1 ZINC000013136745 553453130 /nfs/dbraw/zinc/45/31/30/553453130.db2.gz TWRBGIYEIJKVHK-HXUWFJFHSA-N 0 0 504.609 2.358 50 0 KEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013137591 553453170 /nfs/dbraw/zinc/45/31/70/553453170.db2.gz FHZRHPFJUNFZOX-UHFFFAOYSA-N 0 0 505.574 2.031 50 0 KEAARN COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1S(=O)(=O)N1CCCC1 ZINC000013137882 553453180 /nfs/dbraw/zinc/45/31/80/553453180.db2.gz CNWNJAXFKBVICL-UHFFFAOYSA-N 0 0 523.633 2.061 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000013137895 553453440 /nfs/dbraw/zinc/45/34/40/553453440.db2.gz UTMJATYDBRXQRX-UHFFFAOYSA-N 0 0 523.633 2.138 50 0 KEAARN CCOC(=O)c1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc(C(=O)OCC)c1 ZINC000013137962 553453436 /nfs/dbraw/zinc/45/34/36/553453436.db2.gz RZZYDKBIBBFDFC-SANMLTNESA-N 0 0 525.514 2.217 50 0 KEAARN CCOC(=O)c1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc(C(=O)OCC)c1 ZINC000013137963 553453444 /nfs/dbraw/zinc/45/34/44/553453444.db2.gz RZZYDKBIBBFDFC-AREMUKBSSA-N 0 0 525.514 2.217 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)cc1OC ZINC000013138003 553453465 /nfs/dbraw/zinc/45/34/65/553453465.db2.gz MIRCSYOTEDKFPW-UHFFFAOYSA-N 0 0 521.617 2.317 50 0 KEAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@@H]1NC(=O)NC1=O)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013138420 553453787 /nfs/dbraw/zinc/45/37/87/553453787.db2.gz LSMOFCCEXLLQSA-CCLHPLFOSA-N 0 0 524.622 2.033 50 0 KEAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@@H]1NC(=O)NC1=O)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013138422 553453781 /nfs/dbraw/zinc/45/37/81/553453781.db2.gz LSMOFCCEXLLQSA-DCFHFQCYSA-N 0 0 524.622 2.033 50 0 KEAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013138423 553453771 /nfs/dbraw/zinc/45/37/71/553453771.db2.gz LSMOFCCEXLLQSA-NFQMXDRXSA-N 0 0 524.622 2.033 50 0 KEAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(C(=O)C[C@H]1NC(=O)NC1=O)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013138424 553453796 /nfs/dbraw/zinc/45/37/96/553453796.db2.gz LSMOFCCEXLLQSA-HRFSGMKKSA-N 0 0 524.622 2.033 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000013138838 553453817 /nfs/dbraw/zinc/45/38/17/553453817.db2.gz UQYGTSUHRWFADT-UHFFFAOYSA-N 0 0 510.638 2.313 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013139504 553453992 /nfs/dbraw/zinc/45/39/92/553453992.db2.gz JUKYYGNCOOKQFZ-UHFFFAOYSA-N 0 0 523.633 2.143 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)ccc1C ZINC000013139835 553453987 /nfs/dbraw/zinc/45/39/87/553453987.db2.gz KZWYULNKFJCAAD-UHFFFAOYSA-N 0 0 525.649 2.307 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 ZINC000013140985 553454393 /nfs/dbraw/zinc/45/43/93/553454393.db2.gz DCKLRECTEOPBSV-MHZLTWQESA-N 0 0 520.611 2.448 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 ZINC000013140986 553454398 /nfs/dbraw/zinc/45/43/98/553454398.db2.gz DCKLRECTEOPBSV-HHHXNRCGSA-N 0 0 520.611 2.448 50 0 KEAARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000013141453 553454416 /nfs/dbraw/zinc/45/44/16/553454416.db2.gz NRFDFJPCUYREJO-GJZGRUSLSA-N 0 0 502.818 2.318 50 0 KEAARN COC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 ZINC000013141763 553454433 /nfs/dbraw/zinc/45/44/33/553454433.db2.gz FIWWMSBGJGICNO-UHFFFAOYSA-N 0 0 506.581 2.419 50 0 KEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000013141792 553454376 /nfs/dbraw/zinc/45/43/76/553454376.db2.gz TXNONSGNBHFNET-CVDCTZTESA-N 0 0 503.602 2.447 50 0 KEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 ZINC000013141793 553454396 /nfs/dbraw/zinc/45/43/96/553454396.db2.gz TXNONSGNBHFNET-XXBNENTESA-N 0 0 503.602 2.447 50 0 KEAARN CCOC(=O)C1=C(C)n2c(=O)/c(=C3\c4ccccc4N(C(C)=O)C3=O)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000013142578 553454541 /nfs/dbraw/zinc/45/45/41/553454541.db2.gz ZFENLNWBYDIFNU-RKKARLDVSA-N 0 0 517.563 2.179 50 0 KEAARN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000013143441 553454507 /nfs/dbraw/zinc/45/45/07/553454507.db2.gz DYJCGZPUUBOTGU-HXUWFJFHSA-N 0 0 520.629 2.021 50 0 KEAARN CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000013143442 553454521 /nfs/dbraw/zinc/45/45/21/553454521.db2.gz DYJCGZPUUBOTGU-FQEVSTJZSA-N 0 0 520.629 2.021 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3Cl)CC2)cc1 ZINC000013145334 553454787 /nfs/dbraw/zinc/45/47/87/553454787.db2.gz FGHCRRBVPNNURW-UHFFFAOYSA-N 0 0 516.041 2.136 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 ZINC000013145721 553454917 /nfs/dbraw/zinc/45/49/17/553454917.db2.gz GYWHTVLVOLKALT-XMMPIXPASA-N 0 0 500.577 2.058 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 ZINC000013145722 553454837 /nfs/dbraw/zinc/45/48/37/553454837.db2.gz GYWHTVLVOLKALT-DEOSSOPVSA-N 0 0 500.577 2.058 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)CC2)cc1 ZINC000013146093 553455110 /nfs/dbraw/zinc/45/51/10/553455110.db2.gz XTNZYFBEHOQEIM-UHFFFAOYSA-N 0 0 509.650 2.263 50 0 KEAARN NC(=O)c1cc(NC(=O)COC(=O)c2cc(Br)c(Br)s2)cc(C(N)=O)c1 ZINC000013146139 553455129 /nfs/dbraw/zinc/45/51/29/553455129.db2.gz QTFSRPMWBBWDOV-UHFFFAOYSA-N 0 0 505.144 2.266 50 0 KEAARN O=C(COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013146232 553455128 /nfs/dbraw/zinc/45/51/28/553455128.db2.gz LGKJCGSTJLFASH-OSPHWJPCSA-N 0 0 515.519 2.379 50 0 KEAARN O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013146233 553455146 /nfs/dbraw/zinc/45/51/46/553455146.db2.gz LGKJCGSTJLFASH-MZNJEOGPSA-N 0 0 515.519 2.379 50 0 KEAARN O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013146234 553455118 /nfs/dbraw/zinc/45/51/18/553455118.db2.gz LGKJCGSTJLFASH-XDHUDOTRSA-N 0 0 515.519 2.379 50 0 KEAARN O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013146235 553455109 /nfs/dbraw/zinc/45/51/09/553455109.db2.gz LGKJCGSTJLFASH-BXKMTCNYSA-N 0 0 515.519 2.379 50 0 KEAARN CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2C1=O ZINC000013146285 553455123 /nfs/dbraw/zinc/45/51/23/553455123.db2.gz RSZNQJPAFAXPTR-UHFFFAOYSA-N 0 0 527.599 2.081 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000013146524 553455225 /nfs/dbraw/zinc/45/52/25/553455225.db2.gz GGFZDOJZYRSASS-UHFFFAOYSA-N 0 0 525.649 2.307 50 0 KEAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC(=O)C2CCCCC2)cc(OC)c1OC ZINC000013146676 553455268 /nfs/dbraw/zinc/45/52/68/553455268.db2.gz VCMFWVPLCGNVTJ-KRWDZBQOSA-N 0 0 510.609 2.330 50 0 KEAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC(=O)C2CCCCC2)cc(OC)c1OC ZINC000013146677 553455312 /nfs/dbraw/zinc/45/53/12/553455312.db2.gz VCMFWVPLCGNVTJ-QGZVFWFLSA-N 0 0 510.609 2.330 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N(C)C)c3)CC2)cc1C ZINC000013147813 553455707 /nfs/dbraw/zinc/45/57/07/553455707.db2.gz ZXCLBMFIGALYOI-UHFFFAOYSA-N 0 0 529.084 2.152 50 0 KEAARN COc1ccc(OCc2cc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)o2)cc1 ZINC000013148522 553455959 /nfs/dbraw/zinc/45/59/59/553455959.db2.gz GAOFZHSQLHGMDQ-UHFFFAOYSA-N 0 0 502.545 2.339 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000013148567 553455973 /nfs/dbraw/zinc/45/59/73/553455973.db2.gz NFSOFSUSFFRTAA-UHFFFAOYSA-N 0 0 505.637 2.075 50 0 KEAARN C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2Cl)C1 ZINC000013148660 553456008 /nfs/dbraw/zinc/45/60/08/553456008.db2.gz RQQMQFIAGMRLOV-OAHLLOKOSA-N 0 0 500.042 2.381 50 0 KEAARN C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2Cl)C1 ZINC000013148661 553455945 /nfs/dbraw/zinc/45/59/45/553455945.db2.gz RQQMQFIAGMRLOV-HNNXBMFYSA-N 0 0 500.042 2.381 50 0 KEAARN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000013148760 553456118 /nfs/dbraw/zinc/45/61/18/553456118.db2.gz LQWVMHMZNAAWOZ-UHFFFAOYSA-N 0 0 507.634 2.443 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 ZINC000013148855 553456148 /nfs/dbraw/zinc/45/61/48/553456148.db2.gz VDQLCJYUBNKGID-UHFFFAOYSA-N 0 0 517.391 2.331 50 0 KEAARN CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)CC(=O)Nc1ccccc1Br ZINC000013149689 553456374 /nfs/dbraw/zinc/45/63/74/553456374.db2.gz CGRMDZIGTUZWKA-UHFFFAOYSA-N 0 0 522.425 2.429 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000013150069 553456506 /nfs/dbraw/zinc/45/65/06/553456506.db2.gz QEQJNCHKRGBMDQ-JOCHJYFZSA-N 0 0 511.556 2.353 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000013150070 553456514 /nfs/dbraw/zinc/45/65/14/553456514.db2.gz QEQJNCHKRGBMDQ-QFIPXVFZSA-N 0 0 511.556 2.353 50 0 KEAARN CCCCCOc1ccc(C(=O)OCC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000013163282 553457081 /nfs/dbraw/zinc/45/70/81/553457081.db2.gz ZJWYXNUIQJNQCY-UHFFFAOYSA-N 0 0 504.584 2.180 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(=O)[nH]c1=O ZINC000013165181 553457212 /nfs/dbraw/zinc/45/72/12/553457212.db2.gz VOZJYVUWLBEOKX-UHFFFAOYSA-N 0 0 527.651 2.208 50 0 KEAARN CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000013165223 553457448 /nfs/dbraw/zinc/45/74/48/553457448.db2.gz MAFONSLVYODLJR-UHFFFAOYSA-N 0 0 521.539 2.034 50 0 KEAARN CCN(C(=O)COC(=O)c1c(C)onc1-c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013165231 553457403 /nfs/dbraw/zinc/45/74/03/553457403.db2.gz GSTDDUMOPMYQSV-UHFFFAOYSA-N 0 0 503.515 2.340 50 0 KEAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c1 ZINC000013165247 553457431 /nfs/dbraw/zinc/45/74/31/553457431.db2.gz RSLCDYJFYCMPHT-MUUNZHRXSA-N 0 0 518.570 2.385 50 0 KEAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)COC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)c1 ZINC000013165248 553457455 /nfs/dbraw/zinc/45/74/55/553457455.db2.gz RSLCDYJFYCMPHT-NDEPHWFRSA-N 0 0 518.570 2.385 50 0 KEAARN C[C@@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000013368708 553458788 /nfs/dbraw/zinc/45/87/88/553458788.db2.gz KMLKMIGRRPMKCJ-ZFGQVMFLSA-N 0 0 517.648 2.154 50 0 KEAARN C[C@H](NC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)C12CC3CC(CC(C3)C1)C2 ZINC000013368710 553458777 /nfs/dbraw/zinc/45/87/77/553458777.db2.gz KMLKMIGRRPMKCJ-BALBBAFXSA-N 0 0 517.648 2.154 50 0 KEAARN COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000013496834 553464315 /nfs/dbraw/zinc/46/43/15/553464315.db2.gz XGBJAEXOUIDHMA-UHFFFAOYSA-N 0 0 528.631 2.017 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)CC1 ZINC000013521316 553468308 /nfs/dbraw/zinc/46/83/08/553468308.db2.gz RWQZPRARCVMMEX-IBGZPJMESA-N 0 0 503.606 2.448 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)CC1 ZINC000013521320 553468284 /nfs/dbraw/zinc/46/82/84/553468284.db2.gz RWQZPRARCVMMEX-LJQANCHMSA-N 0 0 503.606 2.448 50 0 KEAARN CCOc1ccc(NC(=O)CN(c2ccc(OCC)cc2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000013521444 553468266 /nfs/dbraw/zinc/46/82/66/553468266.db2.gz VRPCOWHSUHLCQK-UHFFFAOYSA-N 0 0 502.549 2.003 50 0 KEAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000013522885 553468373 /nfs/dbraw/zinc/46/83/73/553468373.db2.gz VRNZHRYEWCQVJW-UHFFFAOYSA-N 0 0 515.510 2.311 50 0 KEAARN Nn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000013523818 553468681 /nfs/dbraw/zinc/46/86/81/553468681.db2.gz GHKZMPUNNCAOLY-UHFFFAOYSA-N 0 0 522.656 2.361 50 0 KEAARN COCCn1cnc2c1c(=O)n(Cc1nnc3n1-c1ccccc1SC3)c(=O)n2Cc1ccccc1 ZINC000013524151 553468674 /nfs/dbraw/zinc/46/86/74/553468674.db2.gz ZBXNIUCQAOSPLC-UHFFFAOYSA-N 0 0 501.572 2.289 50 0 KEAARN CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000013526722 553469135 /nfs/dbraw/zinc/46/91/35/553469135.db2.gz QTRZOGACXIXKHS-KRWDZBQOSA-N 0 0 505.471 2.171 50 0 KEAARN CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000013527248 553469328 /nfs/dbraw/zinc/46/93/28/553469328.db2.gz VNTISDIOZWRTSL-FXAWDEMLSA-N 0 0 520.629 2.019 50 0 KEAARN CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000013527253 553469334 /nfs/dbraw/zinc/46/93/34/553469334.db2.gz VNTISDIOZWRTSL-PXNSSMCTSA-N 0 0 520.629 2.019 50 0 KEAARN CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2C=CC3[C@H]3C(=O)N(c4cccc(OC(C)=O)c4)C(=O)[C@H]32)c1 ZINC000013562123 553471871 /nfs/dbraw/zinc/47/18/71/553471871.db2.gz VEKHGKTVBZNYIP-BCSMNWKXSA-N 0 0 514.490 2.264 50 0 KEAARN COCCNC(=O)CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)c2ccc(Cl)cc2)c1=O ZINC000013573602 553474460 /nfs/dbraw/zinc/47/44/60/553474460.db2.gz VAOVLDZAYQRSDM-UHFFFAOYSA-N 0 0 517.966 2.260 50 0 KEAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 ZINC000013593536 553477148 /nfs/dbraw/zinc/47/71/48/553477148.db2.gz IPCOLMRXXOCPIS-BKSPAHHJSA-N 0 0 502.681 2.404 50 0 KEAARN CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 ZINC000013593539 553477181 /nfs/dbraw/zinc/47/71/81/553477181.db2.gz IPCOLMRXXOCPIS-BPYKYCOYSA-N 0 0 502.681 2.404 50 0 KEAARN COc1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 ZINC000013614694 553477974 /nfs/dbraw/zinc/47/79/74/553477974.db2.gz MVPVZBYZWSWGNF-HSZRJFAPSA-N 0 0 515.613 2.398 50 0 KEAARN Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013636506 553478840 /nfs/dbraw/zinc/47/88/40/553478840.db2.gz IOCBYBLGXLQTLJ-QFIPXVFZSA-N 0 0 517.552 2.492 50 0 KEAARN Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013636509 553478897 /nfs/dbraw/zinc/47/88/97/553478897.db2.gz IOCBYBLGXLQTLJ-JOCHJYFZSA-N 0 0 517.552 2.492 50 0 KEAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 ZINC000013636512 553478827 /nfs/dbraw/zinc/47/88/27/553478827.db2.gz FNHBVLQCEXEAME-NRFANRHFSA-N 0 0 521.515 2.322 50 0 KEAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 ZINC000013636515 553478878 /nfs/dbraw/zinc/47/88/78/553478878.db2.gz FNHBVLQCEXEAME-OAQYLSRUSA-N 0 0 521.515 2.322 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000013637253 553479062 /nfs/dbraw/zinc/47/90/62/553479062.db2.gz QZJVFTARTMYETF-UHFFFAOYSA-N 0 0 514.589 2.266 50 0 KEAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000013638321 553479073 /nfs/dbraw/zinc/47/90/73/553479073.db2.gz BHZWQJFXFWHKQR-FQEVSTJZSA-N 0 0 520.995 2.301 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000013647821 553480171 /nfs/dbraw/zinc/48/01/71/553480171.db2.gz UZARNLRTVKGZNJ-GOBJLOIFSA-N 0 0 509.609 2.223 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013775365 553489821 /nfs/dbraw/zinc/48/98/21/553489821.db2.gz PUNJXCZQSJIVPF-YOKWNPFVSA-N 0 0 510.568 2.443 50 0 KEAARN COc1ccc(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)c(OC)c1 ZINC000013828512 553492901 /nfs/dbraw/zinc/49/29/01/553492901.db2.gz DNKCJCWSJVMIND-UHFFFAOYSA-N 0 0 500.577 2.473 50 0 KEAARN COc1ccc(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)cc1OC ZINC000013828516 553492911 /nfs/dbraw/zinc/49/29/11/553492911.db2.gz CGQOBBSLFZKAKM-UHFFFAOYSA-N 0 0 500.577 2.473 50 0 KEAARN COc1ccc(OC)c(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)c1 ZINC000013828521 553492958 /nfs/dbraw/zinc/49/29/58/553492958.db2.gz BVKMOQJNTMALPE-UHFFFAOYSA-N 0 0 500.577 2.473 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@@H]1c1cnn(C)c1C ZINC000013959693 553497908 /nfs/dbraw/zinc/49/79/08/553497908.db2.gz WITNZCICPIELLT-KFVRLDSISA-N 0 0 504.515 2.060 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1cnn(C)c1C ZINC000013959694 553497919 /nfs/dbraw/zinc/49/79/19/553497919.db2.gz WITNZCICPIELLT-OJEAVSNDSA-N 0 0 504.515 2.060 50 0 KEAARN COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000014016416 553499253 /nfs/dbraw/zinc/49/92/53/553499253.db2.gz WHSFGFUFDUNXKC-HUUCEWRRSA-N 0 0 509.606 2.321 50 0 KEAARN COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000014016419 553499251 /nfs/dbraw/zinc/49/92/51/553499251.db2.gz WHSFGFUFDUNXKC-GJZGRUSLSA-N 0 0 509.606 2.321 50 0 KEAARN COC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000014016422 553499548 /nfs/dbraw/zinc/49/95/48/553499548.db2.gz WHSFGFUFDUNXKC-GASCZTMLSA-N 0 0 509.606 2.321 50 0 KEAARN O=C(C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014067070 553499441 /nfs/dbraw/zinc/49/94/41/553499441.db2.gz SJWNIRHHJXRQDQ-MHZLTWQESA-N 0 0 528.657 2.442 50 0 KEAARN O=C(C[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccnc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000014067075 553499493 /nfs/dbraw/zinc/49/94/93/553499493.db2.gz SJWNIRHHJXRQDQ-HHHXNRCGSA-N 0 0 528.657 2.442 50 0 KEAARN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O ZINC000014086054 553500137 /nfs/dbraw/zinc/50/01/37/553500137.db2.gz NWSBNUIQSIONHD-NRFANRHFSA-N 0 0 505.394 2.262 50 0 KEAARN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O ZINC000014086057 553500125 /nfs/dbraw/zinc/50/01/25/553500125.db2.gz NWSBNUIQSIONHD-OAQYLSRUSA-N 0 0 505.394 2.262 50 0 KEAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O ZINC000014086221 553500146 /nfs/dbraw/zinc/50/01/46/553500146.db2.gz OXJKQRFDWQCJAH-VWLOTQADSA-N 0 0 516.595 2.133 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1=O ZINC000014086223 553500123 /nfs/dbraw/zinc/50/01/23/553500123.db2.gz OXJKQRFDWQCJAH-RUZDIDTESA-N 0 0 516.595 2.133 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000014086226 553500153 /nfs/dbraw/zinc/50/01/53/553500153.db2.gz ARLCFKAYWMYESY-MRXNPFEDSA-N 0 0 520.995 2.039 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000014086228 553500145 /nfs/dbraw/zinc/50/01/45/553500145.db2.gz ARLCFKAYWMYESY-INIZCTEOSA-N 0 0 520.995 2.039 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C(C)C)cc4)C3=O)CC2)cc1 ZINC000014086305 553500143 /nfs/dbraw/zinc/50/01/43/553500143.db2.gz PYWXDXKXALFWBD-SANMLTNESA-N 0 0 528.631 2.119 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(C(C)C)cc4)C3=O)CC2)cc1 ZINC000014086308 553500132 /nfs/dbraw/zinc/50/01/32/553500132.db2.gz PYWXDXKXALFWBD-AREMUKBSSA-N 0 0 528.631 2.119 50 0 KEAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C2=O)cc1OC ZINC000014092718 553500453 /nfs/dbraw/zinc/50/04/53/553500453.db2.gz JTJKOYLTVGCCAK-LFPIHBKWSA-N 0 0 501.561 2.064 50 0 KEAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)C2=O)cc1OC ZINC000014092719 553500444 /nfs/dbraw/zinc/50/04/44/553500444.db2.gz JTJKOYLTVGCCAK-BSEYFRJRSA-N 0 0 501.561 2.064 50 0 KEAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)C2=O)cc1OC ZINC000014092858 553500455 /nfs/dbraw/zinc/50/04/55/553500455.db2.gz NRRHXPZOVBPGAF-XMMPIXPASA-N 0 0 518.592 2.138 50 0 KEAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)C2=O)cc1OC ZINC000014092859 553500463 /nfs/dbraw/zinc/50/04/63/553500463.db2.gz NRRHXPZOVBPGAF-DEOSSOPVSA-N 0 0 518.592 2.138 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000014092972 553500790 /nfs/dbraw/zinc/50/07/90/553500790.db2.gz ZIECGFZOZVAGQL-UHFFFAOYSA-N 0 0 529.084 2.316 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)cc1 ZINC000014093368 553500707 /nfs/dbraw/zinc/50/07/07/553500707.db2.gz MSLHNPYZDXYWOA-UHFFFAOYSA-N 0 0 513.645 2.463 50 0 KEAARN CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000014095020 553500788 /nfs/dbraw/zinc/50/07/88/553500788.db2.gz XBGOKFLTNQCANS-DEOSSOPVSA-N 0 0 500.577 2.276 50 0 KEAARN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000014095021 553500756 /nfs/dbraw/zinc/50/07/56/553500756.db2.gz XBGOKFLTNQCANS-XMMPIXPASA-N 0 0 500.577 2.276 50 0 KEAARN C[C@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014108589 553500926 /nfs/dbraw/zinc/50/09/26/553500926.db2.gz PGBNDYGJCZHDHJ-HNNXBMFYSA-N 0 0 506.968 2.157 50 0 KEAARN C[C@@H]1C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000014108592 553500965 /nfs/dbraw/zinc/50/09/65/553500965.db2.gz PGBNDYGJCZHDHJ-OAHLLOKOSA-N 0 0 506.968 2.157 50 0 KEAARN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014128556 553501246 /nfs/dbraw/zinc/50/12/46/553501246.db2.gz VBHNMKYRRNTFKC-QHCPKHFHSA-N 0 0 519.480 2.358 50 0 KEAARN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O ZINC000014128557 553501228 /nfs/dbraw/zinc/50/12/28/553501228.db2.gz VBHNMKYRRNTFKC-HSZRJFAPSA-N 0 0 519.480 2.358 50 0 KEAARN CCCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014128604 553501216 /nfs/dbraw/zinc/50/12/16/553501216.db2.gz HKSBHGDDCSGCPW-UHFFFAOYSA-N 0 0 506.346 2.469 50 0 KEAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000014129281 553501480 /nfs/dbraw/zinc/50/14/80/553501480.db2.gz JGBJXRRBVOHQJK-QHCPKHFHSA-N 0 0 522.530 2.478 50 0 KEAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O ZINC000014129282 553501476 /nfs/dbraw/zinc/50/14/76/553501476.db2.gz JGBJXRRBVOHQJK-HSZRJFAPSA-N 0 0 522.530 2.478 50 0 KEAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O ZINC000014129451 553501517 /nfs/dbraw/zinc/50/15/17/553501517.db2.gz BOFPORRMHNXQMI-XMMPIXPASA-N 0 0 514.560 2.103 50 0 KEAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O ZINC000014129452 553501409 /nfs/dbraw/zinc/50/14/09/553501409.db2.gz BOFPORRMHNXQMI-DEOSSOPVSA-N 0 0 514.560 2.103 50 0 KEAARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 ZINC000014129457 553501510 /nfs/dbraw/zinc/50/15/10/553501510.db2.gz YSVQXEGYFIFGOD-UHFFFAOYSA-N 0 0 504.348 2.213 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000014140836 553502977 /nfs/dbraw/zinc/50/29/77/553502977.db2.gz SJTGKWCBPWNLRT-UHFFFAOYSA-N 0 0 517.551 2.392 50 0 KEAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O ZINC000014141998 553503085 /nfs/dbraw/zinc/50/30/85/553503085.db2.gz ZALHIFMPXHNNJL-MHZLTWQESA-N 0 0 520.611 2.281 50 0 KEAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O ZINC000014141999 553503082 /nfs/dbraw/zinc/50/30/82/553503082.db2.gz ZALHIFMPXHNNJL-HHHXNRCGSA-N 0 0 520.611 2.281 50 0 KEAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)cc1 ZINC000014158484 553505567 /nfs/dbraw/zinc/50/55/67/553505567.db2.gz IXFRXJUPRGFYOO-HHHXNRCGSA-N 0 0 526.659 2.425 50 0 KEAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)C2=O)cc1 ZINC000014158487 553505553 /nfs/dbraw/zinc/50/55/53/553505553.db2.gz IXFRXJUPRGFYOO-MHZLTWQESA-N 0 0 526.659 2.425 50 0 KEAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 ZINC000014185126 553506004 /nfs/dbraw/zinc/50/60/04/553506004.db2.gz MXTORIUDDLQSHS-XMMPIXPASA-N 0 0 518.661 2.346 50 0 KEAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)C2=O)cc1 ZINC000014185127 553505928 /nfs/dbraw/zinc/50/59/28/553505928.db2.gz MXTORIUDDLQSHS-DEOSSOPVSA-N 0 0 518.661 2.346 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000014186401 553506135 /nfs/dbraw/zinc/50/61/35/553506135.db2.gz RGAOZBIXGGBARL-UHFFFAOYSA-N 0 0 507.512 2.239 50 0 KEAARN COC(=O)c1cc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc3c(c2)OCO3)ccc1Cl ZINC000014242205 553506444 /nfs/dbraw/zinc/50/64/44/553506444.db2.gz SYZYMXZFJYWNQG-UHFFFAOYSA-N 0 0 501.908 2.267 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 ZINC000014356661 553511976 /nfs/dbraw/zinc/51/19/76/553511976.db2.gz UVXIACNQRLBZEV-INIZCTEOSA-N 0 0 507.663 2.284 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 ZINC000014356664 553511928 /nfs/dbraw/zinc/51/19/28/553511928.db2.gz UVXIACNQRLBZEV-MRXNPFEDSA-N 0 0 507.663 2.284 50 0 KEAARN COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000014357083 553512162 /nfs/dbraw/zinc/51/21/62/553512162.db2.gz SHHJUFQYTYQHCM-UHFFFAOYSA-N 0 0 503.577 2.441 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)c1C ZINC000014357374 553512344 /nfs/dbraw/zinc/51/23/44/553512344.db2.gz CDQDKMKLXTUANG-UHFFFAOYSA-N 0 0 516.547 2.484 50 0 KEAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000014357600 553512474 /nfs/dbraw/zinc/51/24/74/553512474.db2.gz SBYVARALHQERSX-APWZRJJASA-N 0 0 506.964 2.218 50 0 KEAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000014357602 553512479 /nfs/dbraw/zinc/51/24/79/553512479.db2.gz SBYVARALHQERSX-LPHOPBHVSA-N 0 0 506.964 2.218 50 0 KEAARN CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 ZINC000014357605 553512524 /nfs/dbraw/zinc/51/25/24/553512524.db2.gz SBYVARALHQERSX-VQIMIIECSA-N 0 0 506.964 2.218 50 0 KEAARN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 ZINC000014357607 553512511 /nfs/dbraw/zinc/51/25/11/553512511.db2.gz SBYVARALHQERSX-QFBILLFUSA-N 0 0 506.964 2.218 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000014358292 553512892 /nfs/dbraw/zinc/51/28/92/553512892.db2.gz DQFIJBVBUUKNLR-UHFFFAOYSA-N 0 0 532.663 2.489 50 0 KEAARN CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000014358476 553512952 /nfs/dbraw/zinc/51/29/52/553512952.db2.gz DHNSHVJOKXAGNI-UHFFFAOYSA-N 0 0 507.609 2.092 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000014358728 553513159 /nfs/dbraw/zinc/51/31/59/553513159.db2.gz XOMMSTZSYIBQLK-UHFFFAOYSA-N 0 0 531.675 2.012 50 0 KEAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)c1c[nH]c2ccccc21 ZINC000014359228 553513351 /nfs/dbraw/zinc/51/33/51/553513351.db2.gz HIXRAKIDEPGMNA-DEOSSOPVSA-N 0 0 527.599 2.369 50 0 KEAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1 ZINC000014359390 553513412 /nfs/dbraw/zinc/51/34/12/553513412.db2.gz JQDPJRDSPAYWFQ-UHFFFAOYSA-N 0 0 522.023 2.446 50 0 KEAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000014359392 553513414 /nfs/dbraw/zinc/51/34/14/553513414.db2.gz KTQGWFNJWMSCLQ-QGZVFWFLSA-N 0 0 506.046 2.442 50 0 KEAARN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1 ZINC000014359395 553513432 /nfs/dbraw/zinc/51/34/32/553513432.db2.gz KTQGWFNJWMSCLQ-KRWDZBQOSA-N 0 0 506.046 2.442 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)c2)CC1 ZINC000014359731 553513592 /nfs/dbraw/zinc/51/35/92/553513592.db2.gz LDRXGLGAEBELHG-UHFFFAOYSA-N 0 0 500.621 2.107 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000014360964 553514319 /nfs/dbraw/zinc/51/43/19/553514319.db2.gz YOTVCRUNGBAQQK-UHFFFAOYSA-N 0 0 511.622 2.126 50 0 KEAARN CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CSCc2ccccc2)CC1 ZINC000014361315 553514517 /nfs/dbraw/zinc/51/45/17/553514517.db2.gz CISMOKBRDJMODH-UHFFFAOYSA-N 0 0 504.678 2.331 50 0 KEAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000014530553 553517438 /nfs/dbraw/zinc/51/74/38/553517438.db2.gz XFFTWTDHROVXFW-BEVDRBHNSA-N 0 0 513.476 2.037 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014534469 553517821 /nfs/dbraw/zinc/51/78/21/553517821.db2.gz HMDFCPBKXPQGPH-DEOSSOPVSA-N 0 0 521.618 2.170 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)Cn2cc3ccccc3n2)CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000014534470 553517781 /nfs/dbraw/zinc/51/77/81/553517781.db2.gz HMDFCPBKXPQGPH-XMMPIXPASA-N 0 0 521.618 2.170 50 0 KEAARN COc1ccc(CNc2cc(C(=O)NCCNC(C)=O)cc(S(=O)(=O)N(C)C)c2)c(Cl)c1OC ZINC000014536277 1066425474 /nfs/dbraw/zinc/42/54/74/1066425474.db2.gz OZANAFFBEJKWBN-UHFFFAOYSA-N 0 0 513.016 2.086 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)CSc2ccccn2)C1 ZINC000014538188 553518369 /nfs/dbraw/zinc/51/83/69/553518369.db2.gz JDIUQORGCIDVKL-QFIPXVFZSA-N 0 0 514.648 2.307 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)CSc2ccccn2)C1 ZINC000014538189 553518262 /nfs/dbraw/zinc/51/82/62/553518262.db2.gz JDIUQORGCIDVKL-JOCHJYFZSA-N 0 0 514.648 2.307 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000014539170 1066425572 /nfs/dbraw/zinc/42/55/72/1066425572.db2.gz GVHGMOVPHFVLSW-HSZRJFAPSA-N 0 0 509.603 2.239 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000014539171 1066425421 /nfs/dbraw/zinc/42/54/21/1066425421.db2.gz GVHGMOVPHFVLSW-QHCPKHFHSA-N 0 0 509.603 2.239 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(C(=O)Cc2sc(C)nc2C)CC(=O)N(CCc2ccccc2)C1 ZINC000014539673 553518372 /nfs/dbraw/zinc/51/83/72/553518372.db2.gz QONRUAGVNOJZJG-JOCHJYFZSA-N 0 0 500.665 2.470 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(C(=O)Cc2sc(C)nc2C)CC(=O)N(CCc2ccccc2)C1 ZINC000014539674 553518258 /nfs/dbraw/zinc/51/82/58/553518258.db2.gz QONRUAGVNOJZJG-QFIPXVFZSA-N 0 0 500.665 2.470 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cc(OC)ccc2OC)C1 ZINC000014539854 553518509 /nfs/dbraw/zinc/51/85/09/553518509.db2.gz AMEHWHKPJGPHAV-HSZRJFAPSA-N 0 0 511.619 2.485 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cc(OC)ccc2OC)C1 ZINC000014539855 553518544 /nfs/dbraw/zinc/51/85/44/553518544.db2.gz AMEHWHKPJGPHAV-QHCPKHFHSA-N 0 0 511.619 2.485 50 0 KEAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CN3C(=O)CSC3=O)C2)c1 ZINC000014540104 553518519 /nfs/dbraw/zinc/51/85/19/553518519.db2.gz WKGAOYZAQXFRFV-JOCHJYFZSA-N 0 0 511.600 2.189 50 0 KEAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CN3C(=O)CSC3=O)C2)c1 ZINC000014540105 553518569 /nfs/dbraw/zinc/51/85/69/553518569.db2.gz WKGAOYZAQXFRFV-QFIPXVFZSA-N 0 0 511.600 2.189 50 0 KEAARN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CNC(=O)c1sc3ccccc3c1Cl)C2=O ZINC000014672562 553519198 /nfs/dbraw/zinc/51/91/98/553519198.db2.gz JDNJABXGRZDMBY-UHFFFAOYSA-N 0 0 506.968 2.360 50 0 KEAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000014675667 553519220 /nfs/dbraw/zinc/51/92/20/553519220.db2.gz YWXQPAWWQYHJPU-QHCPKHFHSA-N 0 0 522.986 2.169 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000014675668 553519243 /nfs/dbraw/zinc/51/92/43/553519243.db2.gz YWXQPAWWQYHJPU-HSZRJFAPSA-N 0 0 522.986 2.169 50 0 KEAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)CN3C(=O)CSC3=O)CC2=O)cc1 ZINC000014740709 553519615 /nfs/dbraw/zinc/51/96/15/553519615.db2.gz NIEACLCVVFCHJQ-HXUWFJFHSA-N 0 0 515.563 2.286 50 0 KEAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)CN3C(=O)CSC3=O)CC2=O)cc1 ZINC000014740710 553519609 /nfs/dbraw/zinc/51/96/09/553519609.db2.gz NIEACLCVVFCHJQ-FQEVSTJZSA-N 0 0 515.563 2.286 50 0 KEAARN CC(C)NS(=O)(=O)c1cc(NCc2ccc3c(c2)CCO3)cc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000014742234 1066425557 /nfs/dbraw/zinc/42/55/57/1066425557.db2.gz BSJJDYHZYCHPET-QFIPXVFZSA-N 0 0 500.621 2.319 50 0 KEAARN CCCc1cc(C(=O)N2CC(=O)N(Cc3ccc(OC)cc3)C[C@H](OCC(=O)N(CC)CC)C2)n(C)n1 ZINC000014744631 553519940 /nfs/dbraw/zinc/51/99/40/553519940.db2.gz BNXFUHYQMUTCSB-QHCPKHFHSA-N 0 0 513.639 2.119 50 0 KEAARN CCCc1cc(C(=O)N2CC(=O)N(Cc3ccc(OC)cc3)C[C@@H](OCC(=O)N(CC)CC)C2)n(C)n1 ZINC000014744632 553519854 /nfs/dbraw/zinc/51/98/54/553519854.db2.gz BNXFUHYQMUTCSB-HSZRJFAPSA-N 0 0 513.639 2.119 50 0 KEAARN CCCc1c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cnn1-c1ccccc1 ZINC000014745752 553520120 /nfs/dbraw/zinc/52/01/20/553520120.db2.gz YUOHLXJSBJXWHV-OPHFCASCSA-N 0 0 501.587 2.239 50 0 KEAARN CC(C)NS(=O)(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000014746622 1066425406 /nfs/dbraw/zinc/42/54/06/1066425406.db2.gz UIDOWWYUPIMHMH-NRFANRHFSA-N 0 0 516.620 2.155 50 0 KEAARN CC(C)NS(=O)(=O)c1cc(NCc2cccc3c2OCO3)cc(C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000014747106 1066425539 /nfs/dbraw/zinc/42/55/39/1066425539.db2.gz JTPSGSMDMGFCDE-FQEVSTJZSA-N 0 0 502.593 2.113 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2cccn2-c2ncccn2)CC(=O)N(CCc2ccccc2)C1 ZINC000014747748 553520357 /nfs/dbraw/zinc/52/03/57/553520357.db2.gz ODFOXFDDXADFHD-RUZDIDTESA-N 0 0 504.635 2.408 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2cccn2-c2ncccn2)CC(=O)N(CCc2ccccc2)C1 ZINC000014747749 553520366 /nfs/dbraw/zinc/52/03/66/553520366.db2.gz ODFOXFDDXADFHD-VWLOTQADSA-N 0 0 504.635 2.408 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccccc2N(C)C)C1 ZINC000014749535 1066214909 /nfs/dbraw/zinc/21/49/09/1066214909.db2.gz MFHBQTZSEZYARL-QHCPKHFHSA-N 0 0 510.635 2.499 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccccc2N(C)C)C1 ZINC000014749536 1066214928 /nfs/dbraw/zinc/21/49/28/1066214928.db2.gz MFHBQTZSEZYARL-HSZRJFAPSA-N 0 0 510.635 2.499 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000014751844 553520464 /nfs/dbraw/zinc/52/04/64/553520464.db2.gz CVPUEXTWNNSBPR-ZCYQVOJMSA-N 0 0 523.630 2.371 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@@H]2COc3ccccc3C2)C1 ZINC000014751846 553520452 /nfs/dbraw/zinc/52/04/52/553520452.db2.gz CVPUEXTWNNSBPR-UKILVPOCSA-N 0 0 523.630 2.371 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000014751848 553520486 /nfs/dbraw/zinc/52/04/86/553520486.db2.gz CVPUEXTWNNSBPR-NOZRDPDXSA-N 0 0 523.630 2.371 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@H]2COc3ccccc3C2)C1 ZINC000014751850 553520594 /nfs/dbraw/zinc/52/05/94/553520594.db2.gz CVPUEXTWNNSBPR-ILBGXUMGSA-N 0 0 523.630 2.371 50 0 KEAARN O=C(NCCn1ccnc1)c1cc(NCc2ccc3c(c2)OCCO3)cc(S(=O)(=O)N2CCCC2)c1 ZINC000014752406 553520574 /nfs/dbraw/zinc/52/05/74/553520574.db2.gz RABBHKKVWWEECY-UHFFFAOYSA-N 0 0 511.604 2.481 50 0 KEAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000014752795 553520549 /nfs/dbraw/zinc/52/05/49/553520549.db2.gz XFFTWTDHROVXFW-YSSFQJQWSA-N 0 0 513.476 2.037 50 0 KEAARN Cn1ccnc1CN1C[C@H](C(=O)NCCN2CCNC2=O)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014753208 553520422 /nfs/dbraw/zinc/52/04/22/553520422.db2.gz LKJBFWDFSRZPEP-ZWKOTPCHSA-N 0 0 508.545 2.097 50 0 KEAARN C[C@H](c1nnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1C)N1C(=O)COc2ccccc21 ZINC000015019104 553526651 /nfs/dbraw/zinc/52/66/51/553526651.db2.gz RNEXXUCDGFGGGD-CQSZACIVSA-N 0 0 507.576 2.223 50 0 KEAARN C[C@@H](c1nnc(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1C)N1C(=O)COc2ccccc21 ZINC000015019105 553526688 /nfs/dbraw/zinc/52/66/88/553526688.db2.gz RNEXXUCDGFGGGD-AWEZNQCLSA-N 0 0 507.576 2.223 50 0 KEAARN COc1ccc(CCN2C(=O)c3cccc(N4CCN(C(=O)c5cnccn5)CC4)c3C2=O)cc1OC ZINC000015072023 1066426402 /nfs/dbraw/zinc/42/64/02/1066426402.db2.gz RTZALANVHOXFNC-UHFFFAOYSA-N 0 0 501.543 2.295 50 0 KEAARN CCCCc1c(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000015106316 553527803 /nfs/dbraw/zinc/52/78/03/553527803.db2.gz GWEMRCQAGCTKMY-UHFFFAOYSA-N 0 0 506.588 2.333 50 0 KEAARN Cn1c2ncn(CC(=O)O[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000015181739 553528477 /nfs/dbraw/zinc/52/84/77/553528477.db2.gz KLMSCPWVNGQVFO-LJQANCHMSA-N 0 0 515.448 2.376 50 0 KEAARN Cn1c2ncn(CC(=O)O[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3)c2c(=O)n(C)c1=O ZINC000015181741 553528445 /nfs/dbraw/zinc/52/84/45/553528445.db2.gz KLMSCPWVNGQVFO-IBGZPJMESA-N 0 0 515.448 2.376 50 0 KEAARN COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000015219979 553528900 /nfs/dbraw/zinc/52/89/00/553528900.db2.gz NJAOLRFVCNRJDW-QFIPXVFZSA-N 0 0 515.613 2.398 50 0 KEAARN COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000015219982 553528868 /nfs/dbraw/zinc/52/88/68/553528868.db2.gz NJAOLRFVCNRJDW-JOCHJYFZSA-N 0 0 515.613 2.398 50 0 KEAARN CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000015224148 553529134 /nfs/dbraw/zinc/52/91/34/553529134.db2.gz KEBPXARRKTWISM-UHFFFAOYSA-N 0 0 504.561 2.169 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000015305260 553531109 /nfs/dbraw/zinc/53/11/09/553531109.db2.gz LRPCGQIDHXTFAY-ROUUACIJSA-N 0 0 514.622 2.289 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000015305266 553531087 /nfs/dbraw/zinc/53/10/87/553531087.db2.gz LRPCGQIDHXTFAY-QZTJIDSGSA-N 0 0 514.622 2.289 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000015305271 553531118 /nfs/dbraw/zinc/53/11/18/553531118.db2.gz LRPCGQIDHXTFAY-HDICACEKSA-N 0 0 514.622 2.289 50 0 KEAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000015319910 553531794 /nfs/dbraw/zinc/53/17/94/553531794.db2.gz FVTZFOPRUPQXSV-SFCTUALJSA-N 0 0 524.577 2.038 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(=O)[nH]c1=O ZINC000015323883 553532296 /nfs/dbraw/zinc/53/22/96/553532296.db2.gz FMVOKNOAVSYXDM-UHFFFAOYSA-N 0 0 519.668 2.317 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)[nH]c1=O ZINC000015323897 553532248 /nfs/dbraw/zinc/53/22/48/553532248.db2.gz VYUKLTOLGPMTCU-UHFFFAOYSA-N 0 0 523.631 2.148 50 0 KEAARN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015351913 553532549 /nfs/dbraw/zinc/53/25/49/553532549.db2.gz KNQBRJMGXUDVFI-UHFFFAOYSA-N 0 0 506.934 2.235 50 0 KEAARN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1 ZINC000015636659 553533954 /nfs/dbraw/zinc/53/39/54/553533954.db2.gz PGJCOEJMNUARCI-KMQNXVAFSA-N 0 0 516.550 2.173 50 0 KEAARN C[C@H](C(=O)NCCCCCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000015772416 553536296 /nfs/dbraw/zinc/53/62/96/553536296.db2.gz UFFKXJPWXQBZPZ-HDICACEKSA-N 0 0 518.570 2.149 50 0 KEAARN COc1cc(NC(=O)CCn2c3ccc(S(=O)(=O)N4CCCC4)cc3[nH]c2=O)cc(OC)c1OC ZINC000015775303 553536226 /nfs/dbraw/zinc/53/62/26/553536226.db2.gz VQNVCVSYCUTSHG-UHFFFAOYSA-N 0 0 504.565 2.169 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000015865918 553539289 /nfs/dbraw/zinc/53/92/89/553539289.db2.gz CAZURXNBQTWLAA-QGZVFWFLSA-N 0 0 501.609 2.444 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2nc3ccccc3[nH]2)C1 ZINC000015865919 553539283 /nfs/dbraw/zinc/53/92/83/553539283.db2.gz CAZURXNBQTWLAA-KRWDZBQOSA-N 0 0 501.609 2.444 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000015865934 553539481 /nfs/dbraw/zinc/53/94/81/553539481.db2.gz VKXXHLUJAZVNDI-LJQANCHMSA-N 0 0 511.641 2.021 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)OCC)CC2)C1 ZINC000015865935 553539479 /nfs/dbraw/zinc/53/94/79/553539479.db2.gz VKXXHLUJAZVNDI-IBGZPJMESA-N 0 0 511.641 2.021 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000015865949 553539484 /nfs/dbraw/zinc/53/94/84/553539484.db2.gz CTIQWMGVUTXKFW-GOSISDBHSA-N 0 0 505.593 2.264 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000015865950 553539444 /nfs/dbraw/zinc/53/94/44/553539444.db2.gz CTIQWMGVUTXKFW-SFHVURJKSA-N 0 0 505.593 2.264 50 0 KEAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000015866033 553539473 /nfs/dbraw/zinc/53/94/73/553539473.db2.gz RMNBHFZJVRJXPS-LJQANCHMSA-N 0 0 511.641 2.068 50 0 KEAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000015866034 553539441 /nfs/dbraw/zinc/53/94/41/553539441.db2.gz RMNBHFZJVRJXPS-IBGZPJMESA-N 0 0 511.641 2.068 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000015866051 553539628 /nfs/dbraw/zinc/53/96/28/553539628.db2.gz HEJLFYKLAVZBJR-UHFFFAOYSA-N 0 0 516.542 2.454 50 0 KEAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000015913537 553542124 /nfs/dbraw/zinc/54/21/24/553542124.db2.gz TXBHNFMYJCXQJL-SANMLTNESA-N 0 0 522.583 2.266 50 0 KEAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000015913539 553542112 /nfs/dbraw/zinc/54/21/12/553542112.db2.gz TXBHNFMYJCXQJL-AREMUKBSSA-N 0 0 522.583 2.266 50 0 KEAARN CC[C@@H](C)n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015913731 553542123 /nfs/dbraw/zinc/54/21/23/553542123.db2.gz CSUNCQCPYDSZGT-MJGOQNOKSA-N 0 0 523.681 2.324 50 0 KEAARN CC[C@H](C)n1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015913733 553542055 /nfs/dbraw/zinc/54/20/55/553542055.db2.gz CSUNCQCPYDSZGT-HKUYNNGSSA-N 0 0 523.681 2.324 50 0 KEAARN CC[C@@H](C)n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015913735 553542113 /nfs/dbraw/zinc/54/21/13/553542113.db2.gz CSUNCQCPYDSZGT-IEBWSBKVSA-N 0 0 523.681 2.324 50 0 KEAARN CC[C@H](C)n1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000015913737 553542074 /nfs/dbraw/zinc/54/20/74/553542074.db2.gz CSUNCQCPYDSZGT-PKOBYXMFSA-N 0 0 523.681 2.324 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(=O)[nH]c1=O ZINC000015925001 553542408 /nfs/dbraw/zinc/54/24/08/553542408.db2.gz GSFJFZZADIYSLJ-KRWDZBQOSA-N 0 0 513.595 2.122 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(=O)[nH]c1=O ZINC000015925003 553542401 /nfs/dbraw/zinc/54/24/01/553542401.db2.gz GSFJFZZADIYSLJ-QGZVFWFLSA-N 0 0 513.595 2.122 50 0 KEAARN CCOc1ccc(C=C2SC(=O)N(CCNC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1OC ZINC000015934738 553542586 /nfs/dbraw/zinc/54/25/86/553542586.db2.gz XCDMGNCYMCJUNX-AQTBWJFISA-N 0 0 516.576 2.111 50 0 KEAARN COCCN(C(=O)COC(=O)c1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015934889 553542604 /nfs/dbraw/zinc/54/26/04/553542604.db2.gz ZLQGUEMVFRPDCJ-UHFFFAOYSA-N 0 0 502.527 2.157 50 0 KEAARN COCCN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015934892 553542653 /nfs/dbraw/zinc/54/26/53/553542653.db2.gz GBGRDOKWHNAEQU-UHFFFAOYSA-N 0 0 514.995 2.469 50 0 KEAARN CCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OCC ZINC000015935108 553542818 /nfs/dbraw/zinc/54/28/18/553542818.db2.gz AJJFWUFJZBDXSA-UHFFFAOYSA-N 0 0 503.621 2.420 50 0 KEAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCOCC2)c2ccccc21 ZINC000015936416 553542835 /nfs/dbraw/zinc/54/28/35/553542835.db2.gz RXZGQJNJTDGJRF-QNGOZBTKSA-N 0 0 500.552 2.065 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(OC)c4)CC3)ccc21 ZINC000015937082 553543077 /nfs/dbraw/zinc/54/30/77/553543077.db2.gz YZIYUDLRTQETTM-UHFFFAOYSA-N 0 0 500.621 2.012 50 0 KEAARN COCCN(C(=O)COC(=O)Cc1cccc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015940405 553543224 /nfs/dbraw/zinc/54/32/24/553543224.db2.gz VUJNPRUXTOMCKP-UHFFFAOYSA-N 0 0 516.554 2.086 50 0 KEAARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000015940407 553543165 /nfs/dbraw/zinc/54/31/65/553543165.db2.gz DSOOFAAUPDEFCY-SANMLTNESA-N 0 0 524.574 2.279 50 0 KEAARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000015940409 553543177 /nfs/dbraw/zinc/54/31/77/553543177.db2.gz DSOOFAAUPDEFCY-AREMUKBSSA-N 0 0 524.574 2.279 50 0 KEAARN COCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015940527 553543269 /nfs/dbraw/zinc/54/32/69/553543269.db2.gz XGLLQSDHRLXMHV-UHFFFAOYSA-N 0 0 508.988 2.250 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000015940652 553543206 /nfs/dbraw/zinc/54/32/06/553543206.db2.gz ZFGPBICULRBJKA-UHFFFAOYSA-N 0 0 515.679 2.289 50 0 KEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000015940700 553543175 /nfs/dbraw/zinc/54/31/75/553543175.db2.gz PUPLSAUYQWLEQQ-ROUUACIJSA-N 0 0 535.667 2.164 50 0 KEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000015940702 553543236 /nfs/dbraw/zinc/54/32/36/553543236.db2.gz PUPLSAUYQWLEQQ-QZTJIDSGSA-N 0 0 535.667 2.164 50 0 KEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000015940704 553543263 /nfs/dbraw/zinc/54/32/63/553543263.db2.gz PUPLSAUYQWLEQQ-HDICACEKSA-N 0 0 535.667 2.164 50 0 KEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015940808 553543414 /nfs/dbraw/zinc/54/34/14/553543414.db2.gz LBPHNJIRKHYFBA-ROUUACIJSA-N 0 0 535.667 2.020 50 0 KEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015940810 553543411 /nfs/dbraw/zinc/54/34/11/553543411.db2.gz LBPHNJIRKHYFBA-QZTJIDSGSA-N 0 0 535.667 2.020 50 0 KEAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000015940812 553543442 /nfs/dbraw/zinc/54/34/42/553543442.db2.gz LBPHNJIRKHYFBA-HDICACEKSA-N 0 0 535.667 2.020 50 0 KEAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000015941219 553543412 /nfs/dbraw/zinc/54/34/12/553543412.db2.gz LXYQMSBTIXDXAN-UHFFFAOYSA-N 0 0 508.560 2.315 50 0 KEAARN O=c1[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000015941234 553543419 /nfs/dbraw/zinc/54/34/19/553543419.db2.gz YLBGTXGDKKGIGN-QGZVFWFLSA-N 0 0 508.560 2.315 50 0 KEAARN O=c1[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000015941236 553543421 /nfs/dbraw/zinc/54/34/21/553543421.db2.gz YLBGTXGDKKGIGN-KRWDZBQOSA-N 0 0 508.560 2.315 50 0 KEAARN COC(=O)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(S(=O)(=O)c4ccccc4)C2)[nH]c3=O)cc1 ZINC000015962644 553547205 /nfs/dbraw/zinc/54/72/05/553547205.db2.gz KZYBSMBTRQTOKZ-GOSISDBHSA-N 0 0 508.560 2.330 50 0 KEAARN COC(=O)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(S(=O)(=O)c4ccccc4)C2)[nH]c3=O)cc1 ZINC000015962646 553547165 /nfs/dbraw/zinc/54/71/65/553547165.db2.gz KZYBSMBTRQTOKZ-SFHVURJKSA-N 0 0 508.560 2.330 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)N[C@]23c2cc(Br)ccc2NC3=O)c1 ZINC000015972636 553547826 /nfs/dbraw/zinc/54/78/26/553547826.db2.gz SQWAPGHVFYOHHN-FIKRCHLTSA-N 0 0 503.353 2.106 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)N[C@]23c2cc(Br)ccc2NC3=O)c1 ZINC000015972639 553547819 /nfs/dbraw/zinc/54/78/19/553547819.db2.gz SQWAPGHVFYOHHN-XTCJLCLGSA-N 0 0 503.353 2.106 50 0 KEAARN Cc1ccc(NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015978741 553548165 /nfs/dbraw/zinc/54/81/65/553548165.db2.gz RYGHNXNHUXGGTP-UHFFFAOYSA-N 0 0 512.679 2.384 50 0 KEAARN COc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1S(=O)(=O)N1CCCC1 ZINC000015980005 553548338 /nfs/dbraw/zinc/54/83/38/553548338.db2.gz OSVAHLILUNVKPK-UHFFFAOYSA-N 0 0 521.617 2.314 50 0 KEAARN CCCCN(C(=O)COC(=O)c1ccc(NC(C)=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000015980113 553548564 /nfs/dbraw/zinc/54/85/64/553548564.db2.gz FWSZNUUPFVHYFU-UHFFFAOYSA-N 0 0 507.547 2.116 50 0 KEAARN O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015980257 553548557 /nfs/dbraw/zinc/54/85/57/553548557.db2.gz HIVJMOXQTKVCBX-QFIPXVFZSA-N 0 0 509.588 2.444 50 0 KEAARN O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015980259 553548519 /nfs/dbraw/zinc/54/85/19/553548519.db2.gz HIVJMOXQTKVCBX-JOCHJYFZSA-N 0 0 509.588 2.444 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 ZINC000015981542 553548886 /nfs/dbraw/zinc/54/88/86/553548886.db2.gz AQJARQICBMNDGA-RTBURBONSA-N 0 0 517.604 2.088 50 0 KEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 ZINC000015981547 553548861 /nfs/dbraw/zinc/54/88/61/553548861.db2.gz AQJARQICBMNDGA-KDURUIRLSA-N 0 0 517.604 2.088 50 0 KEAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 ZINC000015981550 553548888 /nfs/dbraw/zinc/54/88/88/553548888.db2.gz AQJARQICBMNDGA-OALUTQOASA-N 0 0 517.604 2.088 50 0 KEAARN C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C)c1ccccc1 ZINC000016026101 553551375 /nfs/dbraw/zinc/55/13/75/553551375.db2.gz OIPATMUGKZSSKM-KJVSTRANSA-N 0 0 522.627 2.207 50 0 KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1c(F)c(F)c(F)c(F)c1F ZINC000016035358 553551981 /nfs/dbraw/zinc/55/19/81/553551981.db2.gz SAJDQXADUCRJMA-UHFFFAOYSA-N 0 0 512.384 2.338 50 0 KEAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 ZINC000016035553 553552089 /nfs/dbraw/zinc/55/20/89/553552089.db2.gz VSXSINUPFVSHRO-XMMPIXPASA-N 0 0 500.577 2.276 50 0 KEAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1 ZINC000016035554 553552099 /nfs/dbraw/zinc/55/20/99/553552099.db2.gz VSXSINUPFVSHRO-DEOSSOPVSA-N 0 0 500.577 2.276 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)ccc1C ZINC000016035616 553552147 /nfs/dbraw/zinc/55/21/47/553552147.db2.gz DXTFFZIMRISZND-UHFFFAOYSA-N 0 0 518.013 2.122 50 0 KEAARN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000016035774 553552347 /nfs/dbraw/zinc/55/23/47/553552347.db2.gz IXNZPMDLTSQMBG-SFHVURJKSA-N 0 0 501.515 2.195 50 0 KEAARN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000016035775 553552333 /nfs/dbraw/zinc/55/23/33/553552333.db2.gz IXNZPMDLTSQMBG-GOSISDBHSA-N 0 0 501.515 2.195 50 0 KEAARN CN(C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000016043825 553553397 /nfs/dbraw/zinc/55/33/97/553553397.db2.gz GNFAFBFGQBMBJV-SFHVURJKSA-N 0 0 500.602 2.460 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000016043936 553553401 /nfs/dbraw/zinc/55/34/01/553553401.db2.gz IQJVZDKQGQOVEY-BQYQJAHWSA-N 0 0 512.485 2.030 50 0 KEAARN Cc1ccc(C)c(S(=O)(=O)Oc2ccccc2C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1 ZINC000016043954 553553644 /nfs/dbraw/zinc/55/36/44/553553644.db2.gz XYDGSIWCOQLLBM-UHFFFAOYSA-N 0 0 506.558 2.040 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)cc1 ZINC000016043995 553553641 /nfs/dbraw/zinc/55/36/41/553553641.db2.gz XEZVFKUGYHZHMH-QFIPXVFZSA-N 0 0 517.604 2.277 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1C ZINC000016044015 553553647 /nfs/dbraw/zinc/55/36/47/553553647.db2.gz TWPSAPNDAMUMDM-QGZVFWFLSA-N 0 0 516.547 2.483 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1C ZINC000016044016 553553638 /nfs/dbraw/zinc/55/36/38/553553638.db2.gz TWPSAPNDAMUMDM-KRWDZBQOSA-N 0 0 516.547 2.483 50 0 KEAARN CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)co2)s1 ZINC000016047752 553554631 /nfs/dbraw/zinc/55/46/31/553554631.db2.gz MBMJUJXONNZZGF-UHFFFAOYSA-N 0 0 510.575 2.212 50 0 KEAARN CN(C(=O)COC(=O)c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000016050481 553555043 /nfs/dbraw/zinc/55/50/43/553555043.db2.gz UCWSONYEBDDBBA-IBGZPJMESA-N 0 0 506.536 2.443 50 0 KEAARN CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc54)nc(N4CCOCC4)c3s2)CC1 ZINC000016052714 553555151 /nfs/dbraw/zinc/55/51/51/553555151.db2.gz LHNIIDJUOCFXAP-UHFFFAOYSA-N 0 0 513.649 2.148 50 0 investigational KEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)c1 ZINC000016246943 553557712 /nfs/dbraw/zinc/55/77/12/553557712.db2.gz IEAFWSZUABVHNE-UHFFFAOYSA-N 0 0 500.460 2.190 50 0 KEAARN CCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000016361040 553561025 /nfs/dbraw/zinc/56/10/25/553561025.db2.gz VZCOPCGLHOZBSG-UHFFFAOYSA-N 0 0 507.609 2.080 50 0 KEAARN CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000016361332 553560963 /nfs/dbraw/zinc/56/09/63/553560963.db2.gz CZFJQNZABVTXQZ-UHFFFAOYSA-N 0 0 514.633 2.493 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1C ZINC000016393761 553562227 /nfs/dbraw/zinc/56/22/27/553562227.db2.gz WZGRPHLZUMDUND-UHFFFAOYSA-N 0 0 515.632 2.477 50 0 KEAARN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016400053 553562661 /nfs/dbraw/zinc/56/26/61/553562661.db2.gz LAPZVTKDZLOFFU-UHFFFAOYSA-N 0 0 503.621 2.381 50 0 KEAARN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000016426278 553562977 /nfs/dbraw/zinc/56/29/77/553562977.db2.gz TWPDZNHMWXCEME-UHFFFAOYSA-N 0 0 501.605 2.313 50 0 KEAARN O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016426604 553563167 /nfs/dbraw/zinc/56/31/67/553563167.db2.gz BCICXRSBBUPLDW-UHFFFAOYSA-N 0 0 506.628 2.015 50 0 KEAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OCC(N)=O ZINC000016474752 553565697 /nfs/dbraw/zinc/56/56/97/553565697.db2.gz SOEDJELTORRXBW-LJQANCHMSA-N 0 0 517.336 2.366 50 0 KEAARN COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1OCC(N)=O ZINC000016474755 553565699 /nfs/dbraw/zinc/56/56/99/553565699.db2.gz SOEDJELTORRXBW-IBGZPJMESA-N 0 0 517.336 2.366 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000016700127 553574279 /nfs/dbraw/zinc/57/42/79/553574279.db2.gz JTMYABWXRWZHGT-FJWZAKCXSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000016700129 553574258 /nfs/dbraw/zinc/57/42/58/553574258.db2.gz JTMYABWXRWZHGT-RQLGBQGVSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000016700131 553574309 /nfs/dbraw/zinc/57/43/09/553574309.db2.gz XZCRVLQZSSPDOB-YOKWNPFVSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000016700133 553574299 /nfs/dbraw/zinc/57/42/99/553574299.db2.gz XZCRVLQZSSPDOB-NWKGEQBZSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000016700134 553574308 /nfs/dbraw/zinc/57/43/08/553574308.db2.gz YQNMXGZYODRDIJ-YOKWNPFVSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000016700136 553574285 /nfs/dbraw/zinc/57/42/85/553574285.db2.gz YQNMXGZYODRDIJ-NWKGEQBZSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000016700536 553574416 /nfs/dbraw/zinc/57/44/16/553574416.db2.gz BZZUZSIWCPGWLK-FJWZAKCXSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000016700550 553574384 /nfs/dbraw/zinc/57/43/84/553574384.db2.gz DPUUBVMDGAYDTG-WVWKGNOCSA-N 0 0 510.568 2.443 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000016700552 553574439 /nfs/dbraw/zinc/57/44/39/553574439.db2.gz DPUUBVMDGAYDTG-IMEWXKHHSA-N 0 0 510.568 2.443 50 0 KEAARN COc1cc(/C=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000016711861 553575015 /nfs/dbraw/zinc/57/50/15/553575015.db2.gz USYVJXCMSMQLSP-YBEGLDIGSA-N 0 0 500.330 2.422 50 0 KEAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000016732748 553577769 /nfs/dbraw/zinc/57/77/69/553577769.db2.gz XXAZKOHRPKUIOX-WQRHYEAKSA-N 0 0 514.357 2.346 50 0 KEAARN CCCOc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016752846 553580910 /nfs/dbraw/zinc/58/09/10/553580910.db2.gz DNMHBALOYBDMBI-OAHLLOKOSA-N 0 0 502.014 2.152 50 0 KEAARN CCCOc1ccc(CN(C(=O)c2nc(S(C)(=O)=O)ncc2Cl)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016752849 553580891 /nfs/dbraw/zinc/58/08/91/553580891.db2.gz DNMHBALOYBDMBI-HNNXBMFYSA-N 0 0 502.014 2.152 50 0 KEAARN COc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(C)cc3OC)CC2)c(OC)cc1C ZINC000016780557 553582130 /nfs/dbraw/zinc/58/21/30/553582130.db2.gz OXBHEJCMZDKVSY-UHFFFAOYSA-N 0 0 528.649 2.423 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NC4CCCCC4)nn32)cc1 ZINC000016954547 553585017 /nfs/dbraw/zinc/58/50/17/553585017.db2.gz NSWSAKZAGIWIDD-UHFFFAOYSA-N 0 0 504.638 2.195 50 0 KEAARN COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000016955009 553584895 /nfs/dbraw/zinc/58/48/95/553584895.db2.gz AHXAFCLMZYLKFJ-UHFFFAOYSA-N 0 0 500.487 2.252 50 0 KEAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000016957257 553585071 /nfs/dbraw/zinc/58/50/71/553585071.db2.gz FWDCPRAKGPLWCI-BZZOAKBMSA-N 0 0 514.560 2.182 50 0 KEAARN Cc1c2c(cc(=O)n1N1CCOCC1)n(CC(=O)Nc1ccccc1)n(-c1nc3ccccc3s1)c2=O ZINC000016957344 553585097 /nfs/dbraw/zinc/58/50/97/553585097.db2.gz YBHWDBRPWAPKGJ-UHFFFAOYSA-N 0 0 516.583 2.479 50 0 KEAARN COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccc(F)cc2F)c1 ZINC000016960640 553585667 /nfs/dbraw/zinc/58/56/67/553585667.db2.gz TWAXTUHGPNCDGC-UHFFFAOYSA-N 0 0 500.487 2.252 50 0 KEAARN COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000016974576 553585817 /nfs/dbraw/zinc/58/58/17/553585817.db2.gz HEEMAZOCUSKGMJ-UHFFFAOYSA-N 0 0 508.550 2.363 50 0 KEAARN O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000017000357 553585990 /nfs/dbraw/zinc/58/59/90/553585990.db2.gz ITJOKAUHSSEGAG-XMMPIXPASA-N 0 0 503.555 2.500 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000017124906 553588451 /nfs/dbraw/zinc/58/84/51/553588451.db2.gz KGZHCPNMIXBPFU-FJWZAKCXSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000017124910 553588443 /nfs/dbraw/zinc/58/84/43/553588443.db2.gz KGZHCPNMIXBPFU-RQLGBQGVSA-N 0 0 508.552 2.351 50 0 KEAARN Cc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc32)cc1S(=O)(=O)NCCO ZINC000017145862 553589137 /nfs/dbraw/zinc/58/91/37/553589137.db2.gz SUUUEWJNLLGGTR-UHFFFAOYSA-N 0 0 507.572 2.484 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3C)cc2)C[C@H](C)O1 ZINC000017247113 553591558 /nfs/dbraw/zinc/59/15/58/553591558.db2.gz VNSFOMHSWBLRQL-DONQTUDOSA-N 0 0 523.658 2.182 50 0 KEAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000017250901 553591757 /nfs/dbraw/zinc/59/17/57/553591757.db2.gz ZHRRZUKHYKQKJA-UHFFFAOYSA-N 0 0 511.935 2.462 50 0 KEAARN COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000017337567 553593695 /nfs/dbraw/zinc/59/36/95/553593695.db2.gz WNVPPYRVEDVEQT-UHFFFAOYSA-N 0 0 542.658 2.408 50 0 KEAARN COc1ccc(CCN2C(=O)N[C@@](NS(=O)(=O)c3ccc(NC(C)=O)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000017337666 553593638 /nfs/dbraw/zinc/59/36/38/553593638.db2.gz RDSITMDEQSDEAR-NRFANRHFSA-N 0 0 544.508 2.198 50 0 KEAARN COc1ccc(CCN2C(=O)N[C@](NS(=O)(=O)c3ccc(NC(C)=O)cc3)(C(F)(F)F)C2=O)cc1OC ZINC000017337669 553593717 /nfs/dbraw/zinc/59/37/17/553593717.db2.gz RDSITMDEQSDEAR-OAQYLSRUSA-N 0 0 544.508 2.198 50 0 KEAARN O=C(NCC1N=NC(=S)N1c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000017357165 553594512 /nfs/dbraw/zinc/59/45/12/553594512.db2.gz ABDVEOPHZQNOSW-UHFFFAOYSA-N 0 0 538.449 2.269 50 0 KEAARN CCN(CC)C(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000017357188 553594553 /nfs/dbraw/zinc/59/45/53/553594553.db2.gz MRBNENIGNUNXFB-UHFFFAOYSA-N 0 0 565.743 2.205 50 0 KEAARN CCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000017357190 553594560 /nfs/dbraw/zinc/59/45/60/553594560.db2.gz XVANTIXDPOGPCE-UHFFFAOYSA-N 0 0 565.743 2.253 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1cccs1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000017414096 553595702 /nfs/dbraw/zinc/59/57/02/553595702.db2.gz WOWILPFOCUFWOT-YADARESESA-N 0 0 554.650 2.353 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1cccs1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000017414101 553595624 /nfs/dbraw/zinc/59/56/24/553595624.db2.gz WOWILPFOCUFWOT-CYFREDJKSA-N 0 0 554.650 2.353 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1cccs1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000017414104 553595720 /nfs/dbraw/zinc/59/57/20/553595720.db2.gz WOWILPFOCUFWOT-NTKDMRAZSA-N 0 0 554.650 2.353 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1cccs1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000017414107 553595655 /nfs/dbraw/zinc/59/56/55/553595655.db2.gz WOWILPFOCUFWOT-DVECYGJZSA-N 0 0 554.650 2.353 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3c2=O)c(OC)c1 ZINC000017434149 553596048 /nfs/dbraw/zinc/59/60/48/553596048.db2.gz ZMSBEINPUZSDNN-GOSISDBHSA-N 0 0 530.537 2.089 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC[C@H]3COc4ccccc4O3)c3ccccc3c2=O)c(OC)c1 ZINC000017434152 553595958 /nfs/dbraw/zinc/59/59/58/553595958.db2.gz ZMSBEINPUZSDNN-SFHVURJKSA-N 0 0 530.537 2.089 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3c2=O)cc1OC ZINC000017434158 553596261 /nfs/dbraw/zinc/59/62/61/553596261.db2.gz SCRBMTSDABADQB-GOSISDBHSA-N 0 0 530.537 2.089 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)NC[C@H]3COc4ccccc4O3)c3ccccc3c2=O)cc1OC ZINC000017434160 553596197 /nfs/dbraw/zinc/59/61/97/553596197.db2.gz SCRBMTSDABADQB-SFHVURJKSA-N 0 0 530.537 2.089 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1OC ZINC000017434164 553596151 /nfs/dbraw/zinc/59/61/51/553596151.db2.gz ZHSASBJGSZVFFR-UHFFFAOYSA-N 0 0 585.617 2.206 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)c1ccc(Cl)cc1)c(=O)n(CCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000017434238 553596137 /nfs/dbraw/zinc/59/61/37/553596137.db2.gz BTDAAIOXWURYJB-SFHVURJKSA-N 0 0 529.977 2.402 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)c1ccc(Cl)cc1)c(=O)n(CCC(=O)NC[C@H]1CCCO1)c2=O ZINC000017434242 553596161 /nfs/dbraw/zinc/59/61/61/553596161.db2.gz BTDAAIOXWURYJB-GOSISDBHSA-N 0 0 529.977 2.402 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(CCCC(=O)NCc3ccco3)c2=O)cc1OC ZINC000017434251 553596147 /nfs/dbraw/zinc/59/61/47/553596147.db2.gz UUOXWXZDDBFSCW-UHFFFAOYSA-N 0 0 554.625 2.290 50 0 KEAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000017434294 553596195 /nfs/dbraw/zinc/59/61/95/553596195.db2.gz JARFRINIEDODQO-UHFFFAOYSA-N 0 0 588.661 2.354 50 0 KEAARN COCCCNC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)c1=O ZINC000017434297 553596267 /nfs/dbraw/zinc/59/62/67/553596267.db2.gz VXFOGFRVAVCNRB-UHFFFAOYSA-N 0 0 588.661 2.354 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000017434319 553596542 /nfs/dbraw/zinc/59/65/42/553596542.db2.gz JMCYRCAARGLJDG-URXFXBBRSA-N 0 0 560.680 2.412 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000017434322 553596511 /nfs/dbraw/zinc/59/65/11/553596511.db2.gz JMCYRCAARGLJDG-XUZZJYLKSA-N 0 0 560.680 2.412 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@H]1CCCO1 ZINC000017434325 553596478 /nfs/dbraw/zinc/59/64/78/553596478.db2.gz JMCYRCAARGLJDG-QPPBQGQZSA-N 0 0 560.680 2.412 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21)NC[C@H]1CCCO1 ZINC000017434330 553596602 /nfs/dbraw/zinc/59/66/02/553596602.db2.gz JMCYRCAARGLJDG-ZJSXRUAMSA-N 0 0 560.680 2.412 50 0 KEAARN COc1ccc(CCNC(=O)COC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)cc1OC ZINC000017466001 553596580 /nfs/dbraw/zinc/59/65/80/553596580.db2.gz FGKGAGCSVJHSOI-UHFFFAOYSA-N 0 0 528.583 2.404 50 0 KEAARN CCN(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000017466443 553596697 /nfs/dbraw/zinc/59/66/97/553596697.db2.gz FVUUVWGUYVREEU-VZOQVYJPSA-N 0 0 532.640 2.030 50 0 KEAARN CCN(C(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000017466448 553596784 /nfs/dbraw/zinc/59/67/84/553596784.db2.gz FVUUVWGUYVREEU-ZRFOIIEFSA-N 0 0 532.640 2.030 50 0 KEAARN CCN(C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000017527537 553596807 /nfs/dbraw/zinc/59/68/07/553596807.db2.gz FDZQMJNFMMZITR-UHFFFAOYSA-N 0 0 530.551 2.361 50 0 KEAARN COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC(C)C)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000017527619 553597103 /nfs/dbraw/zinc/59/71/03/553597103.db2.gz KMJLZBYEAGKZRV-MDZDMXLPSA-N 0 0 531.587 2.246 50 0 KEAARN CCN(C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 ZINC000017546208 553597637 /nfs/dbraw/zinc/59/76/37/553597637.db2.gz OUMXRQGCXYXTBK-FQEVSTJZSA-N 0 0 550.655 2.029 50 0 KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NCCc1ccc(F)cc1 ZINC000017546275 553597671 /nfs/dbraw/zinc/59/76/71/553597671.db2.gz VPIGKJFHIVVXCS-UHFFFAOYSA-N 0 0 533.622 2.353 50 0 KEAARN O=C(C[C@H]1CS(=O)(=O)C[C@H]1CC(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000017784709 553599967 /nfs/dbraw/zinc/59/99/67/553599967.db2.gz BBXAJBDNBDEGRS-IYBDPMFKSA-N 0 0 502.545 2.247 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000018122717 553605404 /nfs/dbraw/zinc/60/54/04/553605404.db2.gz BTMYUSNNEWJLMC-SZPZYZBQSA-N 0 0 508.622 2.171 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CN3CN(S(=O)(=O)c4ccc(C)cc4)CC(Br)(C3)C2)cc1 ZINC000019313015 193881283 /nfs/dbraw/zinc/88/12/83/193881283.db2.gz XBWULHXXTBLFQP-UHFFFAOYSA-N 0 0 514.467 2.363 50 0 KEAARN CC(C)(CN1CCN(CC(C)(C)NS(=O)(=O)c2ccccc2)CC1)NS(=O)(=O)c1ccccc1 ZINC000019367781 553614122 /nfs/dbraw/zinc/61/41/22/553614122.db2.gz HLQCDYLZYZGLBA-UHFFFAOYSA-N 0 0 508.710 2.118 50 0 KEAARN O=C(NC(=S)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)c1ccc2c(c1)OCO2 ZINC000019706979 553615341 /nfs/dbraw/zinc/61/53/41/553615341.db2.gz HLGFMISZKQZSNV-UHFFFAOYSA-N 0 0 516.579 2.497 50 0 KEAARN COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc(OC)c1OC ZINC000019723142 553615816 /nfs/dbraw/zinc/61/58/16/553615816.db2.gz BBEANEZRHISHSP-JCMHNJIXSA-N 0 0 522.602 2.423 50 0 KEAARN O=C1C[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(I)cc1 ZINC000019782505 553616452 /nfs/dbraw/zinc/61/64/52/553616452.db2.gz QPPXQBDTYLQUMB-GOSISDBHSA-N 0 0 519.339 2.470 50 0 KEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 ZINC000019799488 193885739 /nfs/dbraw/zinc/88/57/39/193885739.db2.gz HDTMPAWXWBBBNW-UHFFFAOYSA-N 0 0 525.587 2.404 50 0 KEAARN Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000019799616 553617207 /nfs/dbraw/zinc/61/72/07/553617207.db2.gz NDFRAIYZAUSATM-UHFFFAOYSA-N 0 0 500.547 2.234 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000019799958 553617446 /nfs/dbraw/zinc/61/74/46/553617446.db2.gz YXIDTTIJXSKUSB-IDQDRXHYSA-N 0 0 512.565 2.320 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000019799959 553617481 /nfs/dbraw/zinc/61/74/81/553617481.db2.gz YXIDTTIJXSKUSB-KEBMYNNESA-N 0 0 512.565 2.320 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000019809660 553618135 /nfs/dbraw/zinc/61/81/35/553618135.db2.gz PWXHHWTYRCPPIY-UHFFFAOYSA-N 0 0 501.605 2.169 50 0 KEAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 ZINC000019809688 553618060 /nfs/dbraw/zinc/61/80/60/553618060.db2.gz GLWWOKLSGFQIMR-JOCHJYFZSA-N 0 0 526.615 2.145 50 0 KEAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019825384 553621178 /nfs/dbraw/zinc/62/11/78/553621178.db2.gz ZFKAEFIJSNKYKV-UHFFFAOYSA-N 0 0 513.645 2.092 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCOCC3)CC2)cc1 ZINC000019825389 553621100 /nfs/dbraw/zinc/62/11/00/553621100.db2.gz RGYHXIQBHZBDLH-UHFFFAOYSA-N 0 0 527.672 2.400 50 0 KEAARN CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 ZINC000019830658 553622607 /nfs/dbraw/zinc/62/26/07/553622607.db2.gz QDFSKVBEDDHOMT-UHFFFAOYSA-N 0 0 503.397 2.361 50 0 KEAARN CCOc1ccc(NC(=O)C(=O)NCCN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000019830659 553622451 /nfs/dbraw/zinc/62/24/51/553622451.db2.gz YCQXRJFZYNOUJX-UHFFFAOYSA-N 0 0 510.616 2.300 50 0 KEAARN O=C(NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000019831111 553622701 /nfs/dbraw/zinc/62/27/01/553622701.db2.gz UFDZGDOCMIKKHY-UHFFFAOYSA-N 0 0 515.035 2.232 50 0 KEAARN COc1ccccc1C(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000019831390 553622768 /nfs/dbraw/zinc/62/27/68/553622768.db2.gz KPANIRUPRYSMTI-UHFFFAOYSA-N 0 0 503.397 2.279 50 0 KEAARN COC(=O)C1=C(C(=O)OC)N2c3ccc(Br)cc3C=C[C@]2(C)C(C(=O)OC)=C1C(=O)OC ZINC000019864721 553629276 /nfs/dbraw/zinc/62/92/76/553629276.db2.gz YYPDKBWJCVVLKU-JOCHJYFZSA-N 0 0 506.305 2.297 50 0 KEAARN COC(=O)C1=C(C(=O)OC)N2c3ccc(Br)cc3C=C[C@@]2(C)C(C(=O)OC)=C1C(=O)OC ZINC000019864724 553629111 /nfs/dbraw/zinc/62/91/11/553629111.db2.gz YYPDKBWJCVVLKU-QFIPXVFZSA-N 0 0 506.305 2.297 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019866355 553629161 /nfs/dbraw/zinc/62/91/61/553629161.db2.gz ZUBYIDYVRWJASI-HXUWFJFHSA-N 0 0 526.080 2.415 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019866358 553629248 /nfs/dbraw/zinc/62/92/48/553629248.db2.gz ZUBYIDYVRWJASI-FQEVSTJZSA-N 0 0 526.080 2.415 50 0 KEAARN COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@@]2(C)CCCN(CC1)[C@H]32 ZINC000019893211 553631624 /nfs/dbraw/zinc/63/16/24/553631624.db2.gz TUDNVGVNVMXCQV-ILBGXUMGSA-N 0 0 503.621 2.045 50 0 KEAARN COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@]2(C)CCCN(CC1)[C@H]32 ZINC000019893213 553631565 /nfs/dbraw/zinc/63/15/65/553631565.db2.gz TUDNVGVNVMXCQV-NOZRDPDXSA-N 0 0 503.621 2.045 50 0 KEAARN COC(=O)[C@H](CO)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000019894117 553631830 /nfs/dbraw/zinc/63/18/30/553631830.db2.gz ZOYSGJQHPWWJIZ-YADHBBJMSA-N 0 0 515.563 2.028 50 0 KEAARN COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000019894121 553631846 /nfs/dbraw/zinc/63/18/46/553631846.db2.gz ZOYSGJQHPWWJIZ-VXKWHMMOSA-N 0 0 515.563 2.028 50 0 KEAARN O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000019899118 553632577 /nfs/dbraw/zinc/63/25/77/553632577.db2.gz SINKMRYLYGHEJV-XMMPIXPASA-N 0 0 519.554 2.206 50 0 KEAARN O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000019899119 553632502 /nfs/dbraw/zinc/63/25/02/553632502.db2.gz SINKMRYLYGHEJV-DEOSSOPVSA-N 0 0 519.554 2.206 50 0 KEAARN COc1ccc(CN[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1 ZINC000019911950 553633403 /nfs/dbraw/zinc/63/34/03/553633403.db2.gz JSQJESSMGVPPEO-SFHVURJKSA-N 0 0 506.795 2.442 50 0 KEAARN COc1ccc(CN[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(Cl)(Cl)Cl)cc1 ZINC000019911953 553633538 /nfs/dbraw/zinc/63/35/38/553633538.db2.gz JSQJESSMGVPPEO-GOSISDBHSA-N 0 0 506.795 2.442 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000019912053 553633559 /nfs/dbraw/zinc/63/35/59/553633559.db2.gz UXQQAGRMUKZFBD-YOKWNPFVSA-N 0 0 506.536 2.259 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 ZINC000019912056 553633577 /nfs/dbraw/zinc/63/35/77/553633577.db2.gz UXQQAGRMUKZFBD-NWKGEQBZSA-N 0 0 506.536 2.259 50 0 KEAARN COc1ccc(CCNC(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc32)cc1OC ZINC000019939260 553638201 /nfs/dbraw/zinc/63/82/01/553638201.db2.gz PEGKGULYAXFYSA-UHFFFAOYSA-N 0 0 504.591 2.489 50 0 KEAARN COc1ccc(CCn2c(N)c(C(=O)NCCN3CCOCC3)c3nc4ccccc4nc32)cc1OC ZINC000019939316 553638136 /nfs/dbraw/zinc/63/81/36/553638136.db2.gz GRUDNFLVZYQFKS-UHFFFAOYSA-N 0 0 504.591 2.489 50 0 KEAARN O=C(CN1CCN(CC(=O)Nc2ccc(Br)cn2)CC1)Nc1ccc(Br)cn1 ZINC000019943222 553645835 /nfs/dbraw/zinc/64/58/35/553645835.db2.gz XQVDLAKQPYZXEC-UHFFFAOYSA-N 0 0 512.206 2.196 50 0 KEAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCN2CCOCC2)cc1 ZINC000020064294 553675067 /nfs/dbraw/zinc/67/50/67/553675067.db2.gz SAUOHVPUYBKBNN-NRFANRHFSA-N 0 0 514.579 2.275 50 0 KEAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCN2CCOCC2)cc1 ZINC000020064295 553675041 /nfs/dbraw/zinc/67/50/41/553675041.db2.gz SAUOHVPUYBKBNN-OAQYLSRUSA-N 0 0 514.579 2.275 50 0 KEAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000020101165 553687078 /nfs/dbraw/zinc/68/70/78/553687078.db2.gz YBQHQELCTIFHTA-VWLOTQADSA-N 0 0 528.613 2.352 50 0 KEAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000020101168 553687120 /nfs/dbraw/zinc/68/71/20/553687120.db2.gz YBQHQELCTIFHTA-RUZDIDTESA-N 0 0 528.613 2.352 50 0 KEAARN Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1C ZINC000020103899 553687981 /nfs/dbraw/zinc/68/79/81/553687981.db2.gz LGQLNVFRCNCWRA-UHFFFAOYSA-N 0 0 525.631 2.044 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCN(Cc5ccccc5)CC4)c(=O)c3c2)CC1 ZINC000020104547 553688734 /nfs/dbraw/zinc/68/87/34/553688734.db2.gz UVJRWRRZBVAHSG-UHFFFAOYSA-N 0 0 523.659 2.162 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1 ZINC000020107276 553690154 /nfs/dbraw/zinc/69/01/54/553690154.db2.gz ZCJYSMWTBOGGFT-UHFFFAOYSA-N 0 0 511.582 2.469 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3cc(OC)ccc3OC)C[C@H]2C)c1 ZINC000020107589 553690562 /nfs/dbraw/zinc/69/05/62/553690562.db2.gz FBNLGSOYWBEMMP-IYBDPMFKSA-N 0 0 514.622 2.193 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)N(S(=O)(=O)c3cc(OC)ccc3OC)C[C@@H]2C)c1 ZINC000020107591 553690501 /nfs/dbraw/zinc/69/05/01/553690501.db2.gz FBNLGSOYWBEMMP-HOTGVXAUSA-N 0 0 514.622 2.193 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000020108736 553691431 /nfs/dbraw/zinc/69/14/31/553691431.db2.gz RSHBAVMMPQJMBK-UHFFFAOYSA-N 0 0 529.688 2.285 50 0 KEAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112546 553694601 /nfs/dbraw/zinc/69/46/01/553694601.db2.gz WFPHWJXKGYDTHL-IZZNHLLZSA-N 0 0 527.618 2.470 50 0 KEAARN COc1ccc([C@H]2[C@@H](C(=O)NCCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112549 553694483 /nfs/dbraw/zinc/69/44/83/553694483.db2.gz WFPHWJXKGYDTHL-UIOOFZCWSA-N 0 0 527.618 2.470 50 0 KEAARN COc1ccc([C@@H]2[C@H](C(=O)NCCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112552 553694593 /nfs/dbraw/zinc/69/45/93/553694593.db2.gz WFPHWJXKGYDTHL-CLJLJLNGSA-N 0 0 527.618 2.470 50 0 KEAARN COc1ccc([C@H]2[C@H](C(=O)NCCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112555 553694575 /nfs/dbraw/zinc/69/45/75/553694575.db2.gz WFPHWJXKGYDTHL-FTJBHMTQSA-N 0 0 527.618 2.470 50 0 KEAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112558 553694623 /nfs/dbraw/zinc/69/46/23/553694623.db2.gz RKIFXOPFRUNRMP-LOSJGSFVSA-N 0 0 513.591 2.080 50 0 KEAARN COc1ccc([C@H]2[C@@H](C(=O)NCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112560 553694547 /nfs/dbraw/zinc/69/45/47/553694547.db2.gz RKIFXOPFRUNRMP-DQEYMECFSA-N 0 0 513.591 2.080 50 0 KEAARN COc1ccc([C@@H]2[C@H](C(=O)NCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112562 553694513 /nfs/dbraw/zinc/69/45/13/553694513.db2.gz RKIFXOPFRUNRMP-JWQCQUIFSA-N 0 0 513.591 2.080 50 0 KEAARN COc1ccc([C@H]2[C@H](C(=O)NCCN3CCOCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112565 553694573 /nfs/dbraw/zinc/69/45/73/553694573.db2.gz RKIFXOPFRUNRMP-RPBOFIJWSA-N 0 0 513.591 2.080 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114793 553695740 /nfs/dbraw/zinc/69/57/40/553695740.db2.gz QUFAEJDZLCRKBT-OAQYLSRUSA-N 0 0 512.588 2.339 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114795 553695759 /nfs/dbraw/zinc/69/57/59/553695759.db2.gz QUFAEJDZLCRKBT-NRFANRHFSA-N 0 0 512.588 2.339 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114805 553695733 /nfs/dbraw/zinc/69/57/33/553695733.db2.gz XOYCMZWVVGDZEM-HXUWFJFHSA-N 0 0 500.552 2.469 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000020114807 553695702 /nfs/dbraw/zinc/69/57/02/553695702.db2.gz XOYCMZWVVGDZEM-FQEVSTJZSA-N 0 0 500.552 2.469 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115040 553696351 /nfs/dbraw/zinc/69/63/51/553696351.db2.gz CJCOJWNIBTYFQQ-FQEVSTJZSA-N 0 0 500.552 2.469 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCNC(C)=O)cc1 ZINC000020115042 553696291 /nfs/dbraw/zinc/69/62/91/553696291.db2.gz CJCOJWNIBTYFQQ-HXUWFJFHSA-N 0 0 500.552 2.469 50 0 KEAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000020116417 553697421 /nfs/dbraw/zinc/69/74/21/553697421.db2.gz YYUVHPGWOFJEGK-OAQYLSRUSA-N 0 0 511.625 2.078 50 0 KEAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000020116419 553697458 /nfs/dbraw/zinc/69/74/58/553697458.db2.gz YYUVHPGWOFJEGK-NRFANRHFSA-N 0 0 511.625 2.078 50 0 KEAARN O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020116621 553697488 /nfs/dbraw/zinc/69/74/88/553697488.db2.gz UWAVJLIDIBJGLG-UHFFFAOYSA-N 0 0 504.568 2.356 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1)c(=O)n(CCC(=O)NCc1ccco1)c2=O ZINC000020117077 553698006 /nfs/dbraw/zinc/69/80/06/553698006.db2.gz OAVSDLFLLSDVMJ-UHFFFAOYSA-N 0 0 520.542 2.427 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1C)c(=O)n(CCC(=O)NCc1ccco1)c2=O ZINC000020117079 553697967 /nfs/dbraw/zinc/69/79/67/553697967.db2.gz QUGGCXNHAMWTTB-UHFFFAOYSA-N 0 0 520.542 2.427 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NC1CCCCC1)c(=O)n(CCC(=O)NCc1ccccc1)c2=O ZINC000020117082 553697954 /nfs/dbraw/zinc/69/79/54/553697954.db2.gz UDXWBFNSWWDPKS-UHFFFAOYSA-N 0 0 522.602 2.336 50 0 KEAARN COc1cc2c(=O)n(CCC(=O)NCc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)cc3)c2cc1OC ZINC000020117084 553697964 /nfs/dbraw/zinc/69/79/64/553697964.db2.gz WCUXXGXCQWVDHZ-UHFFFAOYSA-N 0 0 524.505 2.258 50 0 KEAARN COc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCC(=O)NC3CCCC3)c2=O)cc1 ZINC000020117086 553697949 /nfs/dbraw/zinc/69/79/49/553697949.db2.gz TXKZQVKXVLTXEX-UHFFFAOYSA-N 0 0 524.574 2.277 50 0 KEAARN COc1ccccc1NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(CCC(=O)NC2CCCC2)c1=O ZINC000020117088 553697983 /nfs/dbraw/zinc/69/79/83/553697983.db2.gz KDBPUOZPKIRYRW-UHFFFAOYSA-N 0 0 524.574 2.277 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccccc2)c1=O ZINC000020139081 553594293 /nfs/dbraw/zinc/59/42/93/553594293.db2.gz SPKHOGGONFLHDI-UHFFFAOYSA-N 0 0 520.567 2.357 50 0 KEAARN Cc1ccc(-c2nn(CC(=O)N3CCN(C)CC3)c(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000020150075 553594963 /nfs/dbraw/zinc/59/49/63/553594963.db2.gz XGWBQMRNZFHHMG-UHFFFAOYSA-N 0 0 523.659 2.321 50 0 KEAARN CCCN(CCC)C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000020151428 553595818 /nfs/dbraw/zinc/59/58/18/553595818.db2.gz RCRXQDJNCQECJI-UHFFFAOYSA-N 0 0 514.604 2.309 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)C1 ZINC000020151439 553595803 /nfs/dbraw/zinc/59/58/03/553595803.db2.gz DUXMYCPOZORZGW-IAGOWNOFSA-N 0 0 526.615 2.164 50 0 KEAARN C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)C1 ZINC000020151442 553595752 /nfs/dbraw/zinc/59/57/52/553595752.db2.gz DUXMYCPOZORZGW-CALCHBBNSA-N 0 0 526.615 2.164 50 0 KEAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)C1 ZINC000020151448 553595698 /nfs/dbraw/zinc/59/56/98/553595698.db2.gz DUXMYCPOZORZGW-IRXDYDNUSA-N 0 0 526.615 2.164 50 0 KEAARN C[C@@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000020151451 553595778 /nfs/dbraw/zinc/59/57/78/553595778.db2.gz WPCAQMYQIAYJOA-MRXNPFEDSA-N 0 0 512.588 2.061 50 0 KEAARN C[C@H]1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000020151455 553595703 /nfs/dbraw/zinc/59/57/03/553595703.db2.gz WPCAQMYQIAYJOA-INIZCTEOSA-N 0 0 512.588 2.061 50 0 KEAARN CN(C(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O)C1CCCCC1 ZINC000020151463 553595737 /nfs/dbraw/zinc/59/57/37/553595737.db2.gz HARRXOPRBRWHQZ-UHFFFAOYSA-N 0 0 526.615 2.451 50 0 KEAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)OCc2ccccc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000020151491 553595782 /nfs/dbraw/zinc/59/57/82/553595782.db2.gz DSMNMLPZZBCPFD-UHFFFAOYSA-N 0 0 521.551 2.403 50 0 KEAARN Cc1cc(NC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c2=O)n[nH]1 ZINC000020151646 553596042 /nfs/dbraw/zinc/59/60/42/553596042.db2.gz JQKACKZNWLKOBV-UHFFFAOYSA-N 0 0 514.995 2.297 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccco2)c1=O)NCCc1ccc(Cl)cc1 ZINC000020152695 553596600 /nfs/dbraw/zinc/59/66/00/553596600.db2.gz RFSKMABGPDBSBM-UHFFFAOYSA-N 0 0 508.962 2.475 50 0 KEAARN Cc1cc(NC(=O)Cn2c(=O)n(CCC(=O)NCCc3ccc(Cl)cc3)c(=O)c3ccccc32)n[nH]1 ZINC000020152697 553596628 /nfs/dbraw/zinc/59/66/28/553596628.db2.gz MIMPHOSAZKSBIL-UHFFFAOYSA-N 0 0 508.966 2.236 50 0 KEAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccco2)c1=O ZINC000020152741 553596587 /nfs/dbraw/zinc/59/65/87/553596587.db2.gz XQDXQLKVRWXAMA-UHFFFAOYSA-N 0 0 518.526 2.278 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2F)c1=O)NCc1ccc2c(c1)OCO2 ZINC000020152823 553596801 /nfs/dbraw/zinc/59/68/01/553596801.db2.gz OGWRGANOHZFCPW-UHFFFAOYSA-N 0 0 518.501 2.376 50 0 KEAARN CN(C(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O)C1CCCCC1 ZINC000020152825 553596747 /nfs/dbraw/zinc/59/67/47/553596747.db2.gz PIMAYZMJTCECFH-UHFFFAOYSA-N 0 0 520.586 2.390 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)C1 ZINC000020152837 553596803 /nfs/dbraw/zinc/59/68/03/553596803.db2.gz DGWRESRLNFKRFQ-RTBURBONSA-N 0 0 520.586 2.103 50 0 KEAARN C[C@@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)C1 ZINC000020152839 553596763 /nfs/dbraw/zinc/59/67/63/553596763.db2.gz DGWRESRLNFKRFQ-KDURUIRLSA-N 0 0 520.586 2.103 50 0 KEAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2c3ccccc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)C1 ZINC000020152843 553596791 /nfs/dbraw/zinc/59/67/91/553596791.db2.gz DGWRESRLNFKRFQ-OALUTQOASA-N 0 0 520.586 2.103 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)OCc2ccccc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000020152942 553596863 /nfs/dbraw/zinc/59/68/63/553596863.db2.gz DKWSLSBZTOUQCS-UHFFFAOYSA-N 0 0 515.522 2.342 50 0 KEAARN CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000020152949 553596822 /nfs/dbraw/zinc/59/68/22/553596822.db2.gz RPRLVGJNKCWHRY-UHFFFAOYSA-N 0 0 508.575 2.247 50 0 KEAARN CC[C@@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000020152951 553596797 /nfs/dbraw/zinc/59/67/97/553596797.db2.gz UTVVYPGZNOJWIV-HXUWFJFHSA-N 0 0 520.586 2.390 50 0 KEAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000020152953 553596786 /nfs/dbraw/zinc/59/67/86/553596786.db2.gz UTVVYPGZNOJWIV-FQEVSTJZSA-N 0 0 520.586 2.390 50 0 KEAARN O=C(Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)NCc1ccco1 ZINC000020153118 553597412 /nfs/dbraw/zinc/59/74/12/553597412.db2.gz YMANKFMOORBSAK-UHFFFAOYSA-N 0 0 511.332 2.474 50 0 KEAARN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)c(OC)c1 ZINC000020153256 553597705 /nfs/dbraw/zinc/59/77/05/553597705.db2.gz ISMHNLWCTSTWFW-UHFFFAOYSA-N 0 0 516.554 2.178 50 0 KEAARN O=c1cc(Cn2c3ccccc3c(=O)n(CCCS(=O)(=O)C3CCCCC3)c2=O)nc2ccccn12 ZINC000020153282 553597675 /nfs/dbraw/zinc/59/76/75/553597675.db2.gz UVZMCIHLGNXKLX-UHFFFAOYSA-N 0 0 508.600 2.357 50 0 KEAARN O=C(NCCCN1CCOCC1)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000020154209 553598672 /nfs/dbraw/zinc/59/86/72/553598672.db2.gz UPTMMPNJFXDIRG-GOSISDBHSA-N 0 0 502.456 2.369 50 0 KEAARN O=C(NCCCN1CCOCC1)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000020154211 553598588 /nfs/dbraw/zinc/59/85/88/553598588.db2.gz UPTMMPNJFXDIRG-SFHVURJKSA-N 0 0 502.456 2.369 50 0 KEAARN O=C(COc1ccc(-c2cccs2)cc1CN1CCN(c2ncccn2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000020168679 553601340 /nfs/dbraw/zinc/60/13/40/553601340.db2.gz DVLMSYKDPIRXDU-OAQYLSRUSA-N 0 0 527.672 2.209 50 0 KEAARN O=C(COc1ccc(-c2cccs2)cc1CN1CCN(c2ncccn2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000020168690 553601379 /nfs/dbraw/zinc/60/13/79/553601379.db2.gz DVLMSYKDPIRXDU-NRFANRHFSA-N 0 0 527.672 2.209 50 0 KEAARN CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000020209487 553610185 /nfs/dbraw/zinc/61/01/85/553610185.db2.gz JJPCSKXDOZZTAS-UHFFFAOYSA-N 0 0 513.616 2.223 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C2CCN(C(=O)OCC)CC2)C3=O)CC1 ZINC000020213400 553612352 /nfs/dbraw/zinc/61/23/52/553612352.db2.gz WRNGTJIJLHUODY-UHFFFAOYSA-N 0 0 500.552 2.254 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]3COc4ccccc4O3)ccc21 ZINC000020232981 553618857 /nfs/dbraw/zinc/61/88/57/553618857.db2.gz UOFOVBSHZMFHEV-TZIWHRDSSA-N 0 0 501.605 2.245 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]3COc4ccccc4O3)ccc21 ZINC000020232985 553618768 /nfs/dbraw/zinc/61/87/68/553618768.db2.gz UOFOVBSHZMFHEV-CTNGQTDRSA-N 0 0 501.605 2.245 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NC[C@H]3COc4ccccc4O3)ccc21 ZINC000020232990 553618820 /nfs/dbraw/zinc/61/88/20/553618820.db2.gz UOFOVBSHZMFHEV-PZJWPPBQSA-N 0 0 501.605 2.245 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]3COc4ccccc4O3)ccc21 ZINC000020232996 553618760 /nfs/dbraw/zinc/61/87/60/553618760.db2.gz UOFOVBSHZMFHEV-FPOVZHCZSA-N 0 0 501.605 2.245 50 0 KEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(Cc5ccccc5)CC4)[nH]c3c2cc1OC ZINC000020234152 553620022 /nfs/dbraw/zinc/62/00/22/553620022.db2.gz ZRWTZTDNAKHXPU-LJQANCHMSA-N 0 0 507.616 2.496 50 0 KEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(Cc5ccccc5)CC4)[nH]c3c2cc1OC ZINC000020234156 553619919 /nfs/dbraw/zinc/61/99/19/553619919.db2.gz ZRWTZTDNAKHXPU-IBGZPJMESA-N 0 0 507.616 2.496 50 0 KEAARN Cn1c2nc(CN3CCN(C(=O)c4ccco4)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000020235293 553621471 /nfs/dbraw/zinc/62/14/71/553621471.db2.gz UAJRBLQNLWYNFD-UHFFFAOYSA-N 0 0 512.570 2.186 50 0 KEAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(c2ccccn2)CC1 ZINC000020235548 553622030 /nfs/dbraw/zinc/62/20/30/553622030.db2.gz XMCWRZGQPAGDAB-HXUWFJFHSA-N 0 0 508.629 2.325 50 0 KEAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CCN(c2ccccn2)CC1 ZINC000020235552 553622230 /nfs/dbraw/zinc/62/22/30/553622230.db2.gz XMCWRZGQPAGDAB-FQEVSTJZSA-N 0 0 508.629 2.325 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020235690 553622220 /nfs/dbraw/zinc/62/22/20/553622220.db2.gz ZIWKIBAICHNEQS-LJQANCHMSA-N 0 0 517.633 2.318 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000020235694 553622175 /nfs/dbraw/zinc/62/21/75/553622175.db2.gz ZIWKIBAICHNEQS-IBGZPJMESA-N 0 0 517.633 2.318 50 0 KEAARN COc1ccc(/C=C\c2onc(C)c2S(=O)(=O)N2CCC(C(=O)NCCN3CCOCC3)CC2)cc1 ZINC000020239417 553625219 /nfs/dbraw/zinc/62/52/19/553625219.db2.gz WJTVTPKKJZGMMQ-YVMONPNESA-N 0 0 518.636 2.011 50 0 KEAARN CCn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000020240397 553626355 /nfs/dbraw/zinc/62/63/55/553626355.db2.gz OLMFJUVHPVQMJB-UHFFFAOYSA-N 0 0 518.680 2.427 50 0 KEAARN CCn1cc(C(=O)N(C)CC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000020240458 553626423 /nfs/dbraw/zinc/62/64/23/553626423.db2.gz JXGRRDRVVCPKKD-UHFFFAOYSA-N 0 0 513.616 2.459 50 0 KEAARN COc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)n2C[C@@H]2CCCO2)cc1 ZINC000020249297 553629078 /nfs/dbraw/zinc/62/90/78/553629078.db2.gz ILQUEUABLULSRB-APWZRJJASA-N 0 0 509.654 2.336 50 0 KEAARN COc1ccc(NC(=O)CSc2nnc([C@H]3CCCN(S(C)(=O)=O)C3)n2C[C@@H]2CCCO2)cc1 ZINC000020249300 553629046 /nfs/dbraw/zinc/62/90/46/553629046.db2.gz ILQUEUABLULSRB-LPHOPBHVSA-N 0 0 509.654 2.336 50 0 KEAARN COc1ccc(N(CC(=O)Nc2nc3ccc(C)cc3s2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000020280481 553630956 /nfs/dbraw/zinc/63/09/56/553630956.db2.gz HXMOGKWALABLDR-UHFFFAOYSA-N 0 0 515.573 2.132 50 0 KEAARN CCOc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000020280504 553630922 /nfs/dbraw/zinc/63/09/22/553630922.db2.gz ZOIRPZSRAITGSE-OAQYLSRUSA-N 0 0 512.588 2.159 50 0 KEAARN CCOc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000020280507 553630970 /nfs/dbraw/zinc/63/09/70/553630970.db2.gz ZOIRPZSRAITGSE-NRFANRHFSA-N 0 0 512.588 2.159 50 0 KEAARN COC(=O)c1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc(C(=O)OC)c1 ZINC000020281064 553631054 /nfs/dbraw/zinc/63/10/54/553631054.db2.gz JLLHNQANZJFIKZ-INIZCTEOSA-N 0 0 504.546 2.056 50 0 KEAARN COC(=O)c1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc32)cc(C(=O)OC)c1 ZINC000020281068 553631028 /nfs/dbraw/zinc/63/10/28/553631028.db2.gz JLLHNQANZJFIKZ-MRXNPFEDSA-N 0 0 504.546 2.056 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)nn3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000020284040 553631907 /nfs/dbraw/zinc/63/19/07/553631907.db2.gz ZPCGFSYMRLBCQT-OAQYLSRUSA-N 0 0 516.986 2.141 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(c3ccc(Cl)nn3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000020284044 553631926 /nfs/dbraw/zinc/63/19/26/553631926.db2.gz ZPCGFSYMRLBCQT-NRFANRHFSA-N 0 0 516.986 2.141 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc4c(c3)OCCO4)cc2oc1=O ZINC000020284729 553632229 /nfs/dbraw/zinc/63/22/29/553632229.db2.gz VYSCKYZQDQYYGG-IBGZPJMESA-N 0 0 509.540 2.431 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc4c(c3)OCCO4)cc2oc1=O ZINC000020284733 553632212 /nfs/dbraw/zinc/63/22/12/553632212.db2.gz VYSCKYZQDQYYGG-LJQANCHMSA-N 0 0 509.540 2.431 50 0 KEAARN CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020284875 553632139 /nfs/dbraw/zinc/63/21/39/553632139.db2.gz AANJLLTWRCMHDN-OAQYLSRUSA-N 0 0 507.012 2.437 50 0 KEAARN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020284878 553632199 /nfs/dbraw/zinc/63/21/99/553632199.db2.gz AANJLLTWRCMHDN-NRFANRHFSA-N 0 0 507.012 2.437 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@@H](C(=O)NCCC3=CCCCC3)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000020286548 553632488 /nfs/dbraw/zinc/63/24/88/553632488.db2.gz AZWOKKYHMYRXCP-HSZRJFAPSA-N 0 0 510.616 2.264 50 0 KEAARN CCc1ccccc1NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000020286561 553632445 /nfs/dbraw/zinc/63/24/45/553632445.db2.gz YVZCBTQHIVZHGU-HSZRJFAPSA-N 0 0 506.584 2.458 50 0 KEAARN CCc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000020286564 553632426 /nfs/dbraw/zinc/63/24/26/553632426.db2.gz XVBDWOXTPVMFAI-QHCPKHFHSA-N 0 0 506.584 2.458 50 0 KEAARN CCc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)cc1 ZINC000020286567 553632442 /nfs/dbraw/zinc/63/24/42/553632442.db2.gz XVBDWOXTPVMFAI-HSZRJFAPSA-N 0 0 506.584 2.458 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N[C@@H](C(=O)N3CCCc4ccccc43)c3ccccc3)cc2c(=O)n(C)c1=O ZINC000020286576 553632433 /nfs/dbraw/zinc/63/24/33/553632433.db2.gz FXEFMRIBNMDCDN-XMMPIXPASA-N 0 0 518.595 2.236 50 0 KEAARN C[C@@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1)c1ccccc1 ZINC000020286591 553632391 /nfs/dbraw/zinc/63/23/91/553632391.db2.gz QDQRNJWXBWCRGR-UZUQRXQVSA-N 0 0 506.584 2.134 50 0 KEAARN C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1)c1ccccc1 ZINC000020286595 553632395 /nfs/dbraw/zinc/63/23/95/553632395.db2.gz QDQRNJWXBWCRGR-GAJHUEQPSA-N 0 0 506.584 2.134 50 0 KEAARN CCc1cccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000020286644 553632703 /nfs/dbraw/zinc/63/27/03/553632703.db2.gz QHNDRIREFMQCSH-QHCPKHFHSA-N 0 0 506.584 2.458 50 0 KEAARN CCc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1 ZINC000020286647 553632679 /nfs/dbraw/zinc/63/26/79/553632679.db2.gz QHNDRIREFMQCSH-HSZRJFAPSA-N 0 0 506.584 2.458 50 0 KEAARN CCOc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 ZINC000020286650 553632761 /nfs/dbraw/zinc/63/27/61/553632761.db2.gz HEPOKHAOTKFEEB-QHCPKHFHSA-N 0 0 522.583 2.294 50 0 KEAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C(=O)OC(C)C ZINC000020294970 553635608 /nfs/dbraw/zinc/63/56/08/553635608.db2.gz HNHWAKMHGIFKME-UHFFFAOYSA-N 0 0 502.593 2.206 50 0 KEAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(C)C)cc1 ZINC000020323064 553638222 /nfs/dbraw/zinc/63/82/22/553638222.db2.gz ZDDDOVGTMKVFEE-UHFFFAOYSA-N 0 0 511.652 2.494 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000020323300 553638211 /nfs/dbraw/zinc/63/82/11/553638211.db2.gz LHQIOIGXEZQFMP-UHFFFAOYSA-N 0 0 512.632 2.360 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ncc(Br)s4)C3)ccc21 ZINC000020326904 553639035 /nfs/dbraw/zinc/63/90/35/553639035.db2.gz VSZPBIHNSPUEJO-SNVBAGLBSA-N 0 0 501.384 2.390 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ncc(Br)s4)C3)ccc21 ZINC000020326909 553639092 /nfs/dbraw/zinc/63/90/92/553639092.db2.gz VSZPBIHNSPUEJO-JTQLQIEISA-N 0 0 501.384 2.390 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000020355382 553641414 /nfs/dbraw/zinc/64/14/14/553641414.db2.gz MAJDFFQJNZNUMN-UHFFFAOYSA-N 0 0 526.659 2.321 50 0 KEAARN COc1ccc(CNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc32)cc1 ZINC000020355480 553641700 /nfs/dbraw/zinc/64/17/00/553641700.db2.gz YXBPGSCRICGSSU-QZTJIDSGSA-N 0 0 501.605 2.404 50 0 KEAARN COc1ccccc1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc21 ZINC000020355481 553641665 /nfs/dbraw/zinc/64/16/65/553641665.db2.gz BLJTYVOVPLKPHS-HDICACEKSA-N 0 0 501.605 2.404 50 0 KEAARN COc1ccccc1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 ZINC000020355482 553641659 /nfs/dbraw/zinc/64/16/59/553641659.db2.gz BLJTYVOVPLKPHS-QZTJIDSGSA-N 0 0 501.605 2.404 50 0 KEAARN COc1ccccc1CNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21 ZINC000020355483 553641612 /nfs/dbraw/zinc/64/16/12/553641612.db2.gz BLJTYVOVPLKPHS-ROUUACIJSA-N 0 0 501.605 2.404 50 0 KEAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)c1OC ZINC000020411711 553646839 /nfs/dbraw/zinc/64/68/39/553646839.db2.gz NEVDWTDKDOATCA-NVQXNPDNSA-N 0 0 504.587 2.202 50 0 biogenic KEAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N23)c1OC ZINC000020411713 553646828 /nfs/dbraw/zinc/64/68/28/553646828.db2.gz NEVDWTDKDOATCA-BKMJKUGQSA-N 0 0 504.587 2.202 50 0 biogenic KEAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N32)cc1OC ZINC000020412403 553646859 /nfs/dbraw/zinc/64/68/59/553646859.db2.gz AGBNLBCOLQOBPS-CUNXSJBXSA-N 0 0 504.587 2.202 50 0 biogenic KEAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCN4CCOCC4)CC(=O)N23)cc1OC ZINC000020412405 553646877 /nfs/dbraw/zinc/64/68/77/553646877.db2.gz AGBNLBCOLQOBPS-WXVAWEFUSA-N 0 0 504.587 2.202 50 0 biogenic KEAARN CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000020416214 553647441 /nfs/dbraw/zinc/64/74/41/553647441.db2.gz XEUOUBRLUQXNRG-UHFFFAOYSA-N 0 0 519.584 2.304 50 0 KEAARN CS(=O)(=O)N(Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000020416260 553647728 /nfs/dbraw/zinc/64/77/28/553647728.db2.gz RDWSUUDWAJERQB-UHFFFAOYSA-N 0 0 505.597 2.324 50 0 KEAARN Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000020416274 553647699 /nfs/dbraw/zinc/64/76/99/553647699.db2.gz OTCGPSHESOGYOD-UHFFFAOYSA-N 0 0 507.569 2.058 50 0 KEAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000020419171 553648070 /nfs/dbraw/zinc/64/80/70/553648070.db2.gz BGTXIUOFFXCHPS-UHFFFAOYSA-N 0 0 510.012 2.479 50 0 KEAARN CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@@H]4CCCO4)n23)C1 ZINC000020436932 553648578 /nfs/dbraw/zinc/64/85/78/553648578.db2.gz PMNBHFOWVQNAGR-INIZCTEOSA-N 0 0 510.645 2.470 50 0 KEAARN CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)NC[C@H]4CCCO4)n23)C1 ZINC000020436935 553648633 /nfs/dbraw/zinc/64/86/33/553648633.db2.gz PMNBHFOWVQNAGR-MRXNPFEDSA-N 0 0 510.645 2.470 50 0 KEAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCCO)c2ccccc21 ZINC000020438592 553648920 /nfs/dbraw/zinc/64/89/20/553648920.db2.gz YQHNSPHKYRTMIU-ZHZULCJRSA-N 0 0 504.996 2.219 50 0 KEAARN CC(=O)c1cccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4F)CC2)[nH]c3=O)c1 ZINC000020444583 553649578 /nfs/dbraw/zinc/64/95/78/553649578.db2.gz RPTHLXHVSBZSBV-UHFFFAOYSA-N 0 0 510.551 2.473 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1 ZINC000020463075 553656490 /nfs/dbraw/zinc/65/64/90/553656490.db2.gz GNTUXCNHGCBWCT-UHFFFAOYSA-N 0 0 510.551 2.473 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4F)c(=O)[nH]3)CC2)cc1 ZINC000020463081 553656307 /nfs/dbraw/zinc/65/63/07/553656307.db2.gz VMPUUUMCJIZNKS-UHFFFAOYSA-N 0 0 510.551 2.473 50 0 KEAARN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N(CCO)CCO)n1 ZINC000020477944 553657390 /nfs/dbraw/zinc/65/73/90/553657390.db2.gz NFNTWKOMXSVHIM-UHFFFAOYSA-N 0 0 505.666 2.440 50 0 KEAARN CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC1 ZINC000020517461 553668786 /nfs/dbraw/zinc/66/87/86/553668786.db2.gz AQTILDOAMYRUFT-UHFFFAOYSA-N 0 0 509.394 2.063 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530931 553669972 /nfs/dbraw/zinc/66/99/72/553669972.db2.gz XGESBKLITXEIOP-RUZDIDTESA-N 0 0 508.575 2.413 50 0 KEAARN CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020533348 553670700 /nfs/dbraw/zinc/67/07/00/553670700.db2.gz UOLSDDYJIYIRHY-UHFFFAOYSA-N 0 0 509.394 2.063 50 0 KEAARN CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1 ZINC000020533409 553670642 /nfs/dbraw/zinc/67/06/42/553670642.db2.gz ZPOHUAXVMYOTQW-UHFFFAOYSA-N 0 0 509.394 2.063 50 0 KEAARN CN(Cc1ccccc1)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1 ZINC000020562267 553672781 /nfs/dbraw/zinc/67/27/81/553672781.db2.gz RLZAWWSLWGAHRZ-UHFFFAOYSA-N 0 0 501.584 2.306 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3noc(CCC(=O)N(C)Cc4ccccc4)n3)CC2)cc1 ZINC000020562269 553672726 /nfs/dbraw/zinc/67/27/26/553672726.db2.gz JJSVACUOYOELLA-UHFFFAOYSA-N 0 0 513.620 2.176 50 0 KEAARN O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)no1)N1CCCCC1 ZINC000020562349 553672795 /nfs/dbraw/zinc/67/27/95/553672795.db2.gz YSPIPNDLUNIOPM-UHFFFAOYSA-N 0 0 526.457 2.284 50 0 KEAARN CCN(CC)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)no1 ZINC000020562371 553672765 /nfs/dbraw/zinc/67/27/65/553672765.db2.gz PIARNPQONWIKKJ-UHFFFAOYSA-N 0 0 514.446 2.140 50 0 KEAARN CCN(CC)C(=O)CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)no1 ZINC000020562373 553672777 /nfs/dbraw/zinc/67/27/77/553672777.db2.gz UJSOCTGIVPYZJF-UHFFFAOYSA-N 0 0 520.475 2.201 50 0 KEAARN CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 ZINC000020573760 553674843 /nfs/dbraw/zinc/67/48/43/553674843.db2.gz YKVGZWKJOPEVEC-ROKPMTFOSA-N 0 0 520.721 2.111 50 0 KEAARN CSCC[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 ZINC000020573761 553674886 /nfs/dbraw/zinc/67/48/86/553674886.db2.gz YKVGZWKJOPEVEC-DCLXLUIPSA-N 0 0 520.721 2.111 50 0 KEAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2C(=O)NCCN2CCOCC2)C(=O)[C@]31C ZINC000020609748 553678454 /nfs/dbraw/zinc/67/84/54/553678454.db2.gz GPBMEOLSMJADRK-NDEPHWFRSA-N 0 0 517.586 2.479 50 0 biogenic KEAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N32)cc1 ZINC000020609929 553678687 /nfs/dbraw/zinc/67/86/87/553678687.db2.gz BQGBCXKIRZVIBC-IGKIAQTJSA-N 0 0 516.598 2.362 50 0 biogenic KEAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCN4CCOCC4)CC(=O)N23)cc1 ZINC000020609931 553678672 /nfs/dbraw/zinc/67/86/72/553678672.db2.gz BQGBCXKIRZVIBC-RPLLCQBOSA-N 0 0 516.598 2.362 50 0 biogenic KEAARN COc1cc2c(cc1OC)-c1cc(NCCN3CCN(C(=O)c4ccc(F)cc4)CC3)nc(=O)n1CC2 ZINC000020610560 553678646 /nfs/dbraw/zinc/67/86/46/553678646.db2.gz NYHLISJTWUWCJN-UHFFFAOYSA-N 0 0 507.566 2.493 50 0 biogenic KEAARN CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCCCN4CCOCC4)CC3)c(=O)c2cc1OCC ZINC000020616870 553680093 /nfs/dbraw/zinc/68/00/93/553680093.db2.gz DJBPHHHZMQPDNQ-UHFFFAOYSA-N 0 0 516.639 2.132 50 0 KEAARN COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000020642839 553682626 /nfs/dbraw/zinc/68/26/26/553682626.db2.gz VCOZGBNSUGSNQG-FQEVSTJZSA-N 0 0 511.579 2.377 50 0 KEAARN COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(F)cc3)C(=O)N21 ZINC000020642841 553682615 /nfs/dbraw/zinc/68/26/15/553682615.db2.gz VCOZGBNSUGSNQG-HXUWFJFHSA-N 0 0 511.579 2.377 50 0 KEAARN COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21 ZINC000020642849 553682591 /nfs/dbraw/zinc/68/25/91/553682591.db2.gz LJFRLCOJECTYFR-NRFANRHFSA-N 0 0 523.615 2.246 50 0 KEAARN COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3ccc(OC)cc3)C(=O)N21 ZINC000020642851 553682581 /nfs/dbraw/zinc/68/25/81/553682581.db2.gz LJFRLCOJECTYFR-OAQYLSRUSA-N 0 0 523.615 2.246 50 0 KEAARN COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CCC(=O)NCCc3ccccc3)C(=O)N21 ZINC000020642892 553682599 /nfs/dbraw/zinc/68/25/99/553682599.db2.gz GTSNOQKBQYLRIF-NRFANRHFSA-N 0 0 507.616 2.280 50 0 KEAARN COCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCCc3ccccc3)C(=O)N21 ZINC000020642894 553682601 /nfs/dbraw/zinc/68/26/01/553682601.db2.gz GTSNOQKBQYLRIF-OAQYLSRUSA-N 0 0 507.616 2.280 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643189 553683230 /nfs/dbraw/zinc/68/32/30/553683230.db2.gz PBFQJBBWNPWUQM-RXVVDRJESA-N 0 0 505.600 2.380 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643191 553683211 /nfs/dbraw/zinc/68/32/11/553683211.db2.gz PBFQJBBWNPWUQM-GHTZIAJQSA-N 0 0 505.600 2.380 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643194 553683183 /nfs/dbraw/zinc/68/31/83/553683183.db2.gz PBFQJBBWNPWUQM-NQIIRXRSSA-N 0 0 505.600 2.380 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643196 553683190 /nfs/dbraw/zinc/68/31/90/553683190.db2.gz PBFQJBBWNPWUQM-WIYYLYMNSA-N 0 0 505.600 2.380 50 0 KEAARN COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000020643320 553683547 /nfs/dbraw/zinc/68/35/47/553683547.db2.gz MICJNMRTJYBPTR-NRFANRHFSA-N 0 0 507.616 2.280 50 0 KEAARN COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21 ZINC000020643322 553683563 /nfs/dbraw/zinc/68/35/63/553683563.db2.gz MICJNMRTJYBPTR-OAQYLSRUSA-N 0 0 507.616 2.280 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643328 553683575 /nfs/dbraw/zinc/68/35/75/553683575.db2.gz SQNOIDWYQYOSDA-UGKGYDQZSA-N 0 0 519.627 2.423 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@@H]1CCCO1 ZINC000020643331 553683540 /nfs/dbraw/zinc/68/35/40/553683540.db2.gz SQNOIDWYQYOSDA-SIKLNZKXSA-N 0 0 519.627 2.423 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643334 553683585 /nfs/dbraw/zinc/68/35/85/553683585.db2.gz SQNOIDWYQYOSDA-KNQAVFIVSA-N 0 0 519.627 2.423 50 0 KEAARN O=C(CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)NC[C@H]1CCCO1 ZINC000020643336 553683557 /nfs/dbraw/zinc/68/35/57/553683557.db2.gz SQNOIDWYQYOSDA-DENIHFKCSA-N 0 0 519.627 2.423 50 0 KEAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1cccc(OC)c1)n(CCN1CCOCC1)c2=O ZINC000020643694 553683504 /nfs/dbraw/zinc/68/35/04/553683504.db2.gz LAGLTWPDVIXYHA-UHFFFAOYSA-N 0 0 512.588 2.255 50 0 KEAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1OC)n(CCN1CCOCC1)c2=O ZINC000020643759 553683514 /nfs/dbraw/zinc/68/35/14/553683514.db2.gz UTNUKAYJXHYPAP-UHFFFAOYSA-N 0 0 512.588 2.255 50 0 KEAARN CCOCCCn1c(=O)c2ccc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cc2[n-]c1=S ZINC000020644020 553683766 /nfs/dbraw/zinc/68/37/66/553683766.db2.gz ISBUYICHKHBXJA-UHFFFAOYSA-N 0 0 501.653 2.058 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)NC1CCCC1)NCCCN1CCOCC1 ZINC000020644228 553684035 /nfs/dbraw/zinc/68/40/35/553684035.db2.gz CNFZGRJRAYWAOP-UHFFFAOYSA-N 0 0 515.680 2.166 50 0 KEAARN CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCN4CCOCC4)c(=O)c3c2)cc1 ZINC000020677288 553687639 /nfs/dbraw/zinc/68/76/39/553687639.db2.gz MNJJDAFIVPCJQJ-UHFFFAOYSA-N 0 0 512.632 2.368 50 0 KEAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1 ZINC000020677365 553687696 /nfs/dbraw/zinc/68/76/96/553687696.db2.gz CKCZQWXZASJXOH-UHFFFAOYSA-N 0 0 504.996 2.069 50 0 KEAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCN4CCOCC4)c(=O)c3c2)cc1C ZINC000020677431 553687765 /nfs/dbraw/zinc/68/77/65/553687765.db2.gz WUVYUQPOUYYWGG-UHFFFAOYSA-N 0 0 512.632 2.422 50 0 KEAARN Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCN4CCOCC4)c(=O)c3c2)c1 ZINC000020677478 553687740 /nfs/dbraw/zinc/68/77/40/553687740.db2.gz VVCUIXVUWWUELT-UHFFFAOYSA-N 0 0 512.632 2.422 50 0 KEAARN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1 ZINC000020677684 553687719 /nfs/dbraw/zinc/68/77/19/553687719.db2.gz XOBWZJIGUFNETA-UHFFFAOYSA-N 0 0 516.595 2.335 50 0 KEAARN O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NC[C@@H]1COc2ccccc2O1 ZINC000020679018 553687681 /nfs/dbraw/zinc/68/76/81/553687681.db2.gz UBRSBWAXZXMPHV-LJQANCHMSA-N 0 0 504.678 2.103 50 0 KEAARN O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NC[C@H]1COc2ccccc2O1 ZINC000020679023 553687725 /nfs/dbraw/zinc/68/77/25/553687725.db2.gz UBRSBWAXZXMPHV-IBGZPJMESA-N 0 0 504.678 2.103 50 0 KEAARN COc1cc(CN(C(=S)NCC(=O)NCCCN2CCOCC2)C2CCCC2)cc(OC)c1OC ZINC000020679804 553687985 /nfs/dbraw/zinc/68/79/85/553687985.db2.gz HBJFGBFCSRLHOX-UHFFFAOYSA-N 0 0 508.685 2.170 50 0 KEAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2 ZINC000020680424 553688004 /nfs/dbraw/zinc/68/80/04/553688004.db2.gz XRARZOBDPJLOAD-QFIPXVFZSA-N 0 0 521.039 2.140 50 0 KEAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2 ZINC000020680428 553687995 /nfs/dbraw/zinc/68/79/95/553687995.db2.gz XRARZOBDPJLOAD-JOCHJYFZSA-N 0 0 521.039 2.140 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)CC1 ZINC000020687055 553689307 /nfs/dbraw/zinc/68/93/07/553689307.db2.gz GKACQERPFNLTBQ-HSZRJFAPSA-N 0 0 506.669 2.199 50 0 KEAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCC2(CC1)OCCO2 ZINC000020687649 553689606 /nfs/dbraw/zinc/68/96/06/553689606.db2.gz KBVNAGRHADSSLQ-UHFFFAOYSA-N 0 0 509.650 2.056 50 0 KEAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(Cc4ccccc4)CC2)C(=O)CO3)CC1 ZINC000020737954 553694877 /nfs/dbraw/zinc/69/48/77/553694877.db2.gz ZMMHMLFXUMSLBW-UHFFFAOYSA-N 0 0 526.659 2.177 50 0 KEAARN Cc1cc(I)ccc1Nc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1 ZINC000020757292 553695221 /nfs/dbraw/zinc/69/52/21/553695221.db2.gz VGZRWUYZJJJSMX-UHFFFAOYSA-N 0 0 525.395 2.109 50 0 KEAARN Cc1c(C(=O)NCCN2CCOCC2)sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000020757483 553695210 /nfs/dbraw/zinc/69/52/10/553695210.db2.gz HHCRHGOLGXYJCY-UHFFFAOYSA-N 0 0 523.537 2.486 50 0 KEAARN Cc1c(C(=O)NCCN2CCOCC2)sc2ncn(CC(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000020757550 553695448 /nfs/dbraw/zinc/69/54/48/553695448.db2.gz NRSLCMHKXQYGBL-UHFFFAOYSA-N 0 0 504.012 2.429 50 0 KEAARN CCc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCOCC3)c(=O)c2c1 ZINC000020765270 553696972 /nfs/dbraw/zinc/69/69/72/553696972.db2.gz DDQQSHXBZGECSS-UHFFFAOYSA-N 0 0 512.632 2.368 50 0 KEAARN COc1cccc([C@@H](CC(=O)NCCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC ZINC000020766164 553697271 /nfs/dbraw/zinc/69/72/71/553697271.db2.gz OAHOJEWHBXFJQW-JOCHJYFZSA-N 0 0 505.637 2.260 50 0 KEAARN COc1cccc([C@H](CC(=O)NCCCN2CCOCC2)NS(=O)(=O)c2ccc(C)cc2)c1OC ZINC000020766168 553697251 /nfs/dbraw/zinc/69/72/51/553697251.db2.gz OAHOJEWHBXFJQW-QFIPXVFZSA-N 0 0 505.637 2.260 50 0 KEAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000020767439 553697736 /nfs/dbraw/zinc/69/77/36/553697736.db2.gz RLMWNBPZLNWJSU-UHFFFAOYSA-N 0 0 511.000 2.261 50 0 KEAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2N2CCN(CCO)CC2)cc1 ZINC000020869182 553700760 /nfs/dbraw/zinc/70/07/60/553700760.db2.gz HJLABTCVLFFUDD-UHFFFAOYSA-N 0 0 507.659 2.231 50 0 KEAARN Cn1c2[nH]c(-c3ccc4ccccc4c3)c(-c3c(=O)n(C)c(=O)n(C)c3-n3cccc3)c2c(=O)n(C)c1=O ZINC000020896797 553701031 /nfs/dbraw/zinc/70/10/31/553701031.db2.gz FGUSJXOCILSAHJ-UHFFFAOYSA-N 0 0 508.538 2.241 50 0 KEAARN Cc1noc(Cn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)OCO4)n1 ZINC000020936790 553704334 /nfs/dbraw/zinc/70/43/34/553704334.db2.gz TZMSONUCRTUWNR-UHFFFAOYSA-N 0 0 503.393 2.289 50 0 KEAARN CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000020981081 553705109 /nfs/dbraw/zinc/70/51/09/553705109.db2.gz RCJBUWRRLQVKNU-UHFFFAOYSA-N 0 0 501.630 2.494 50 0 biogenic KEAARN Cc1cccc(N2CCN(CCNC(=O)[C@@H]3CCCN(c4nnc(N5CCCC5=O)s4)C3)CC2)c1C ZINC000021027123 553705874 /nfs/dbraw/zinc/70/58/74/553705874.db2.gz PSFWMHNUTATNSG-OAQYLSRUSA-N 0 0 511.696 2.437 50 0 KEAARN Cc1cccc(N2CCN(CCNC(=O)[C@H]3CCCN(c4nnc(N5CCCC5=O)s4)C3)CC2)c1C ZINC000021027134 553705941 /nfs/dbraw/zinc/70/59/41/553705941.db2.gz PSFWMHNUTATNSG-NRFANRHFSA-N 0 0 511.696 2.437 50 0 KEAARN COc1ccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)c(OC)c1OC ZINC000021109023 553706628 /nfs/dbraw/zinc/70/66/28/553706628.db2.gz KLKIKMJIYJHUGF-UHFFFAOYSA-N 0 0 503.621 2.473 50 0 KEAARN COc1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc(OC)c1OC ZINC000021112041 553706650 /nfs/dbraw/zinc/70/66/50/553706650.db2.gz FZHQEZUVSZQJLY-UHFFFAOYSA-N 0 0 503.577 2.319 50 0 KEAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccccn5)CC4)C3)ccc21 ZINC000021114156 553706852 /nfs/dbraw/zinc/70/68/52/553706852.db2.gz HZNPYTAADFNONW-JOCHJYFZSA-N 0 0 511.648 2.130 50 0 KEAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccccn5)CC4)C3)ccc21 ZINC000021114161 553706786 /nfs/dbraw/zinc/70/67/86/553706786.db2.gz HZNPYTAADFNONW-QFIPXVFZSA-N 0 0 511.648 2.130 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000021116628 553707087 /nfs/dbraw/zinc/70/70/87/553707087.db2.gz QHKDEIHHMCBMPK-UHFFFAOYSA-N 0 0 511.044 2.408 50 0 KEAARN Cc1ccc(Cl)cc1N1CCN(C(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1 ZINC000021146737 553707613 /nfs/dbraw/zinc/70/76/13/553707613.db2.gz FJLKFMSXDVSTHT-UHFFFAOYSA-N 0 0 507.012 2.257 50 0 KEAARN Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1 ZINC000021358156 553709750 /nfs/dbraw/zinc/70/97/50/553709750.db2.gz YXGNPKRJZTTZNL-UHFFFAOYSA-N 0 0 516.645 2.215 50 0 KEAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2sc1=O ZINC000021358469 553709719 /nfs/dbraw/zinc/70/97/19/553709719.db2.gz YEHPOINJUCBGMO-QGZVFWFLSA-N 0 0 516.645 2.295 50 0 KEAARN CC(C)n1c2ccc(S(=O)(=O)N3CCN(C(=O)[C@H](C)NC(=O)c4ccccc4)CC3)cc2sc1=O ZINC000021358475 553709699 /nfs/dbraw/zinc/70/96/99/553709699.db2.gz YEHPOINJUCBGMO-KRWDZBQOSA-N 0 0 516.645 2.295 50 0 KEAARN Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000021717434 553716249 /nfs/dbraw/zinc/71/62/49/553716249.db2.gz RQOSTBAUOUFHAZ-UHFFFAOYSA-N 0 0 501.653 2.405 50 0 KEAARN Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000021717438 553716209 /nfs/dbraw/zinc/71/62/09/553716209.db2.gz NPSRJKTYSYINRH-UHFFFAOYSA-N 0 0 515.680 2.400 50 0 KEAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000021717442 553716184 /nfs/dbraw/zinc/71/61/84/553716184.db2.gz JLXWJOVLLNSZBD-UHFFFAOYSA-N 0 0 513.664 2.108 50 0 KEAARN Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000021717448 553716188 /nfs/dbraw/zinc/71/61/88/553716188.db2.gz HCOWXXVTEWVRQI-HXUWFJFHSA-N 0 0 501.653 2.405 50 0 KEAARN Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000021717450 553716191 /nfs/dbraw/zinc/71/61/91/553716191.db2.gz HCOWXXVTEWVRQI-FQEVSTJZSA-N 0 0 501.653 2.405 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1OC ZINC000021876049 553718794 /nfs/dbraw/zinc/71/87/94/553718794.db2.gz SBDXELYHCFEVSX-HHHXNRCGSA-N 0 0 505.575 2.034 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1OC ZINC000021876052 553718818 /nfs/dbraw/zinc/71/88/18/553718818.db2.gz SBDXELYHCFEVSX-MHZLTWQESA-N 0 0 505.575 2.034 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)c(OC)c1 ZINC000021876292 553718876 /nfs/dbraw/zinc/71/88/76/553718876.db2.gz URFIKQPMDHQLJM-HHHXNRCGSA-N 0 0 505.575 2.034 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)c(OC)c1 ZINC000021876295 553718790 /nfs/dbraw/zinc/71/87/90/553718790.db2.gz URFIKQPMDHQLJM-MHZLTWQESA-N 0 0 505.575 2.034 50 0 KEAARN CN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000021876355 553718917 /nfs/dbraw/zinc/71/89/17/553718917.db2.gz HEOPXEGFKYOHGB-NDEPHWFRSA-N 0 0 500.603 2.002 50 0 KEAARN CN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccccc1 ZINC000021876358 553718924 /nfs/dbraw/zinc/71/89/24/553718924.db2.gz HEOPXEGFKYOHGB-MUUNZHRXSA-N 0 0 500.603 2.002 50 0 KEAARN CCOc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1OC ZINC000021876391 553718821 /nfs/dbraw/zinc/71/88/21/553718821.db2.gz WRYTZDJTYCYLLR-HHHXNRCGSA-N 0 0 505.575 2.381 50 0 KEAARN CCOc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)cc1OC ZINC000021876394 553718764 /nfs/dbraw/zinc/71/87/64/553718764.db2.gz WRYTZDJTYCYLLR-MHZLTWQESA-N 0 0 505.575 2.381 50 0 KEAARN CCOc1cc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccccc2)N(C)C3=O)ccc1OC ZINC000021876411 553718935 /nfs/dbraw/zinc/71/89/35/553718935.db2.gz HZIXPGVUJKCWIN-HHHXNRCGSA-N 0 0 505.575 2.381 50 0 KEAARN CCOc1cc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccccc2)N(C)C3=O)ccc1OC ZINC000021876414 553719107 /nfs/dbraw/zinc/71/91/07/553719107.db2.gz HZIXPGVUJKCWIN-MHZLTWQESA-N 0 0 505.575 2.381 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1OC ZINC000021876523 553719216 /nfs/dbraw/zinc/71/92/16/553719216.db2.gz HQZBMXVIJZGTOT-HHHXNRCGSA-N 0 0 523.565 2.173 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1OC ZINC000021876527 553719176 /nfs/dbraw/zinc/71/91/76/553719176.db2.gz HQZBMXVIJZGTOT-MHZLTWQESA-N 0 0 523.565 2.173 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1OC ZINC000021876805 553719100 /nfs/dbraw/zinc/71/91/00/553719100.db2.gz UKBLYTFFNDYLBQ-AREMUKBSSA-N 0 0 509.538 2.130 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1OC ZINC000021876808 553719168 /nfs/dbraw/zinc/71/91/68/553719168.db2.gz UKBLYTFFNDYLBQ-SANMLTNESA-N 0 0 509.538 2.130 50 0 KEAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1OC ZINC000021876812 553719239 /nfs/dbraw/zinc/71/92/39/553719239.db2.gz BKYIAKFSHIKULX-AREMUKBSSA-N 0 0 509.538 2.130 50 0 KEAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1OC ZINC000021876815 553719207 /nfs/dbraw/zinc/71/92/07/553719207.db2.gz BKYIAKFSHIKULX-SANMLTNESA-N 0 0 509.538 2.130 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1 ZINC000021876840 553719124 /nfs/dbraw/zinc/71/91/24/553719124.db2.gz JRIREZWCIYSARK-HHHXNRCGSA-N 0 0 523.565 2.173 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1 ZINC000021876843 553719220 /nfs/dbraw/zinc/71/92/20/553719220.db2.gz JRIREZWCIYSARK-MHZLTWQESA-N 0 0 523.565 2.173 50 0 KEAARN CN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876889 553719232 /nfs/dbraw/zinc/71/92/32/553719232.db2.gz ZDZQWEFAVUVMNZ-NDEPHWFRSA-N 0 0 518.593 2.141 50 0 KEAARN CN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000021876893 553719189 /nfs/dbraw/zinc/71/91/89/553719189.db2.gz ZDZQWEFAVUVMNZ-MUUNZHRXSA-N 0 0 518.593 2.141 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1 ZINC000021876916 553719081 /nfs/dbraw/zinc/71/90/81/553719081.db2.gz KASFSNVJNAPBHQ-AREMUKBSSA-N 0 0 509.538 2.130 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c(OC)c1 ZINC000021876919 553719242 /nfs/dbraw/zinc/71/92/42/553719242.db2.gz KASFSNVJNAPBHQ-SANMLTNESA-N 0 0 509.538 2.130 50 0 KEAARN COc1ccc(OC)c(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 ZINC000021876961 553719354 /nfs/dbraw/zinc/71/93/54/553719354.db2.gz RMTBFAMMTUPYND-AREMUKBSSA-N 0 0 509.538 2.130 50 0 KEAARN COc1ccc(OC)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)c1 ZINC000021876964 553719415 /nfs/dbraw/zinc/71/94/15/553719415.db2.gz RMTBFAMMTUPYND-SANMLTNESA-N 0 0 509.538 2.130 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1OC ZINC000021877022 553719367 /nfs/dbraw/zinc/71/93/67/553719367.db2.gz HUKQMGIMEHHSKB-MUUNZHRXSA-N 0 0 519.602 2.342 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1OC ZINC000021877025 553719373 /nfs/dbraw/zinc/71/93/73/553719373.db2.gz HUKQMGIMEHHSKB-NDEPHWFRSA-N 0 0 519.602 2.342 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1OC ZINC000021877196 553719362 /nfs/dbraw/zinc/71/93/62/553719362.db2.gz VMTSWMUZRQZZPO-HHHXNRCGSA-N 0 0 505.575 2.299 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc1OC ZINC000021877200 553719445 /nfs/dbraw/zinc/71/94/45/553719445.db2.gz VMTSWMUZRQZZPO-MHZLTWQESA-N 0 0 505.575 2.299 50 0 KEAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c1OC ZINC000021877203 553719381 /nfs/dbraw/zinc/71/93/81/553719381.db2.gz LFHPVYIWMLBNIJ-HHHXNRCGSA-N 0 0 505.575 2.299 50 0 KEAARN COc1cccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c1OC ZINC000021877206 553719325 /nfs/dbraw/zinc/71/93/25/553719325.db2.gz LFHPVYIWMLBNIJ-MHZLTWQESA-N 0 0 505.575 2.299 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c(OC)c1 ZINC000021877228 553719436 /nfs/dbraw/zinc/71/94/36/553719436.db2.gz KWNYTLCRHQLCNE-MUUNZHRXSA-N 0 0 519.602 2.342 50 0 KEAARN COc1ccc(CCNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c(OC)c1 ZINC000021877231 553719377 /nfs/dbraw/zinc/71/93/77/553719377.db2.gz KWNYTLCRHQLCNE-NDEPHWFRSA-N 0 0 519.602 2.342 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c(OC)c1 ZINC000021877278 553719402 /nfs/dbraw/zinc/71/94/02/553719402.db2.gz VEKVQDWDDGLVNR-HHHXNRCGSA-N 0 0 505.575 2.299 50 0 KEAARN COc1ccc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c(OC)c1 ZINC000021877281 553719330 /nfs/dbraw/zinc/71/93/30/553719330.db2.gz VEKVQDWDDGLVNR-MHZLTWQESA-N 0 0 505.575 2.299 50 0 KEAARN COc1ccc(OC)c(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c1 ZINC000021877325 553719434 /nfs/dbraw/zinc/71/94/34/553719434.db2.gz IDHICIYFYQZXDM-HHHXNRCGSA-N 0 0 505.575 2.299 50 0 KEAARN COc1ccc(OC)c(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)c1 ZINC000021877329 553719384 /nfs/dbraw/zinc/71/93/84/553719384.db2.gz IDHICIYFYQZXDM-MHZLTWQESA-N 0 0 505.575 2.299 50 0 KEAARN CCN1C(=O)c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877591 553719611 /nfs/dbraw/zinc/71/96/11/553719611.db2.gz POSYZKUNLCJWKV-MHZLTWQESA-N 0 0 508.623 2.147 50 0 KEAARN CCN1C(=O)c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877593 553719584 /nfs/dbraw/zinc/71/95/84/553719584.db2.gz POSYZKUNLCJWKV-HHHXNRCGSA-N 0 0 508.623 2.147 50 0 KEAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021878108 553719887 /nfs/dbraw/zinc/71/98/87/553719887.db2.gz UEDPFZIEOYKRCY-MHZLTWQESA-N 0 0 507.639 2.314 50 0 KEAARN CCCCN1C(=O)c2cc(C(=O)N3CCN(c4ccccn4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021878109 553719936 /nfs/dbraw/zinc/71/99/36/553719936.db2.gz UEDPFZIEOYKRCY-HHHXNRCGSA-N 0 0 507.639 2.314 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(OC)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000021926471 553722350 /nfs/dbraw/zinc/72/23/50/553722350.db2.gz UXBNHDMYXHTUEP-SANMLTNESA-N 0 0 508.531 2.431 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(OC)c(OC)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000021926476 553722241 /nfs/dbraw/zinc/72/22/41/553722241.db2.gz UXBNHDMYXHTUEP-AREMUKBSSA-N 0 0 508.531 2.431 50 0 KEAARN O=C(CN1CCN(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000022454933 553742645 /nfs/dbraw/zinc/74/26/45/553742645.db2.gz HSNQGJNJAPYPTH-UHFFFAOYSA-N 0 0 592.748 2.398 50 0 KEAARN CC(=O)[C@H](C)n1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022460739 553742735 /nfs/dbraw/zinc/74/27/35/553742735.db2.gz ATNNJBHWWYCVNN-FQEVSTJZSA-N 0 0 514.630 2.491 50 0 KEAARN CC(=O)[C@@H](C)n1c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000022460744 553742671 /nfs/dbraw/zinc/74/26/71/553742671.db2.gz ATNNJBHWWYCVNN-HXUWFJFHSA-N 0 0 514.630 2.491 50 0 KEAARN CCOc1cccc(N2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(c5cccc(OCC)c5)C4=O)CC3)C2=O)c1 ZINC000022806727 553751088 /nfs/dbraw/zinc/75/10/88/553751088.db2.gz CRJIIOJCYVXWJX-ZEQRLZLVSA-N 0 0 520.586 2.066 50 0 KEAARN CCOc1ccc(N2C(=O)C[C@H](N3CCN([C@H]4CC(=O)N(c5ccc(OCC)cc5)C4=O)CC3)C2=O)cc1 ZINC000022808038 553751067 /nfs/dbraw/zinc/75/10/67/553751067.db2.gz NWBDTNBBHXXDKQ-ZEQRLZLVSA-N 0 0 520.586 2.066 50 0 KEAARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccn(-c2nc(-c3cnn(C)c3)cc(C(F)(F)F)n2)n1 ZINC000022830236 553754638 /nfs/dbraw/zinc/75/46/38/553754638.db2.gz NKJAVZMPYUWAQF-UHFFFAOYSA-N 0 0 506.470 2.290 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022920309 553767122 /nfs/dbraw/zinc/76/71/22/553767122.db2.gz JJUXMOIESFCXIO-UHFFFAOYSA-N 0 0 530.647 2.355 50 0 KEAARN COc1ccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000022920313 553767165 /nfs/dbraw/zinc/76/71/65/553767165.db2.gz QVXJRGNMWLCMGK-UHFFFAOYSA-N 0 0 530.647 2.355 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000022926500 553767362 /nfs/dbraw/zinc/76/73/62/553767362.db2.gz GLCAVPOQYTYSRF-UHFFFAOYSA-N 0 0 529.707 2.310 50 0 KEAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022930893 553767703 /nfs/dbraw/zinc/76/77/03/553767703.db2.gz XELYNOZQXBFBRI-UHFFFAOYSA-N 0 0 510.547 2.457 50 0 KEAARN C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022940533 553768392 /nfs/dbraw/zinc/76/83/92/553768392.db2.gz HYUDQDCYDMSPSQ-LJQANCHMSA-N 0 0 500.621 2.345 50 0 KEAARN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022940537 553768517 /nfs/dbraw/zinc/76/85/17/553768517.db2.gz HYUDQDCYDMSPSQ-IBGZPJMESA-N 0 0 500.621 2.345 50 0 KEAARN COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000023043191 553769140 /nfs/dbraw/zinc/76/91/40/553769140.db2.gz GMDWIQBUAIJNAT-UHFFFAOYSA-N 0 0 519.620 2.060 50 0 KEAARN CCCN(C(=O)CSc1n[nH]c(-c2ccc(OC)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023074340 553769155 /nfs/dbraw/zinc/76/91/55/553769155.db2.gz KPFVBCRZCVNGHE-UHFFFAOYSA-N 0 0 521.603 2.496 50 0 KEAARN CC(C)CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023074629 553769329 /nfs/dbraw/zinc/76/93/29/553769329.db2.gz ORULXUNPDMULOY-UHFFFAOYSA-N 0 0 502.575 2.416 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(=O)[nH]c1=O ZINC000023074730 553769428 /nfs/dbraw/zinc/76/94/28/553769428.db2.gz JCMQXHFXIIMDGR-UHFFFAOYSA-N 0 0 505.641 2.396 50 0 KEAARN COCCN(C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000023076449 553769378 /nfs/dbraw/zinc/76/93/78/553769378.db2.gz WRAGTBYZGDYEBP-UHFFFAOYSA-N 0 0 502.597 2.213 50 0 KEAARN CN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023076473 553769407 /nfs/dbraw/zinc/76/94/07/553769407.db2.gz SZNGCDYYOKCIDB-UHFFFAOYSA-N 0 0 507.330 2.059 50 0 KEAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000023077497 553769421 /nfs/dbraw/zinc/76/94/21/553769421.db2.gz PBTQWGWCFUJQID-UHFFFAOYSA-N 0 0 504.584 2.158 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)[nH]c1=O ZINC000023078199 553769666 /nfs/dbraw/zinc/76/96/66/553769666.db2.gz AJEGCBBHLHWIBN-UHFFFAOYSA-N 0 0 506.003 2.104 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c(=O)[nH]c1=O ZINC000023078262 553769649 /nfs/dbraw/zinc/76/96/49/553769649.db2.gz HAYWVCJSYICJRF-UHFFFAOYSA-N 0 0 529.619 2.090 50 0 KEAARN CN(C(=O)COC(=O)c1c2ccccc2nc2c1CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023078886 553769849 /nfs/dbraw/zinc/76/98/49/553769849.db2.gz NHCAEXFIEVDPMV-UHFFFAOYSA-N 0 0 513.554 2.414 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(=O)[nH]c1=O ZINC000023078965 553769891 /nfs/dbraw/zinc/76/98/91/553769891.db2.gz XCNUEKBIQSLASF-UHFFFAOYSA-N 0 0 529.619 2.037 50 0 KEAARN O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000023079037 553769893 /nfs/dbraw/zinc/76/98/93/553769893.db2.gz WQKCBXPWKNGDDE-UHFFFAOYSA-N 0 0 502.467 2.287 50 0 KEAARN O=C(COC(=O)c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000023079045 553769812 /nfs/dbraw/zinc/76/98/12/553769812.db2.gz DASPUGDVYDGBKU-UHFFFAOYSA-N 0 0 517.785 2.498 50 0 KEAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000023079194 553769860 /nfs/dbraw/zinc/76/98/60/553769860.db2.gz GSMQCRFLDPYORX-UHFFFAOYSA-N 0 0 514.531 2.295 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)c(=O)[nH]c1=O ZINC000023079611 553769875 /nfs/dbraw/zinc/76/98/75/553769875.db2.gz BHBWMYALYVIUOM-HDICACEKSA-N 0 0 535.667 2.020 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(=O)[nH]c1=O ZINC000023079614 553769884 /nfs/dbraw/zinc/76/98/84/553769884.db2.gz BHBWMYALYVIUOM-ROUUACIJSA-N 0 0 535.667 2.020 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)c(=O)[nH]c1=O ZINC000023079616 553769880 /nfs/dbraw/zinc/76/98/80/553769880.db2.gz BHBWMYALYVIUOM-QZTJIDSGSA-N 0 0 535.667 2.020 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1ccc(SC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023079619 553770233 /nfs/dbraw/zinc/77/02/33/553770233.db2.gz TXSSLWSWNCVPEQ-JLHYYAGUSA-N 0 0 524.599 2.125 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(Br)ccc1O ZINC000023079623 553770279 /nfs/dbraw/zinc/77/02/79/553770279.db2.gz YDDSACXJOPEBIK-UHFFFAOYSA-N 0 0 513.366 2.280 50 0 KEAARN COCCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023079710 553770258 /nfs/dbraw/zinc/77/02/58/553770258.db2.gz WXHBDYICTBETHJ-UHFFFAOYSA-N 0 0 502.527 2.157 50 0 KEAARN CC(C)CN(C(=O)COC(=O)COc1ccc2c(c1)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023079718 553770275 /nfs/dbraw/zinc/77/02/75/553770275.db2.gz NEGVQXCRERUDMA-UHFFFAOYSA-N 0 0 520.586 2.267 50 0 KEAARN COCCN(C(=O)COC(=O)CSc1cc(C)ccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023079880 553770280 /nfs/dbraw/zinc/77/02/80/553770280.db2.gz XLYVOXCMCNZFON-UHFFFAOYSA-N 0 0 526.615 2.099 50 0 KEAARN O=C(COC(=O)c1cc(Cl)ccc1O)N1CCN(C(=O)COC(=O)c2cc(Cl)ccc2O)CC1 ZINC000023079889 553770276 /nfs/dbraw/zinc/77/02/76/553770276.db2.gz PBIJFHGYFZGKPW-UHFFFAOYSA-N 0 0 511.314 2.089 50 0 KEAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000023079998 553770261 /nfs/dbraw/zinc/77/02/61/553770261.db2.gz CPSNVGDOHYDNPW-UHFFFAOYSA-N 0 0 506.577 2.365 50 0 KEAARN Cc1cccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000023080067 553770264 /nfs/dbraw/zinc/77/02/64/553770264.db2.gz WKZIEXKFUDOXEV-UHFFFAOYSA-N 0 0 508.575 2.395 50 0 KEAARN COCCCN(C(=O)CSCC(=O)Nc1cccc(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023080087 553770424 /nfs/dbraw/zinc/77/04/24/553770424.db2.gz OGIOFHCHSMJEMF-UHFFFAOYSA-N 0 0 525.631 2.217 50 0 KEAARN CCOc1ccc(OCC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000023080148 553770464 /nfs/dbraw/zinc/77/04/64/553770464.db2.gz ZWARULBWAGZZSF-UHFFFAOYSA-N 0 0 524.574 2.177 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023080534 553770359 /nfs/dbraw/zinc/77/03/59/553770359.db2.gz CWYBGYJFRNQMSG-VAWYXSNFSA-N 0 0 512.950 2.057 50 0 KEAARN CN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023080596 553770420 /nfs/dbraw/zinc/77/04/20/553770420.db2.gz WHAOUNFRXYJBIU-UHFFFAOYSA-N 0 0 503.515 2.192 50 0 KEAARN CC[C@@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000023080649 553770341 /nfs/dbraw/zinc/77/03/41/553770341.db2.gz JMBOKOCQFJPQRB-TZIWHRDSSA-N 0 0 528.693 2.062 50 0 KEAARN CC[C@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000023080651 553770458 /nfs/dbraw/zinc/77/04/58/553770458.db2.gz JMBOKOCQFJPQRB-PZJWPPBQSA-N 0 0 528.693 2.062 50 0 KEAARN CC[C@@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000023080653 553770352 /nfs/dbraw/zinc/77/03/52/553770352.db2.gz JMBOKOCQFJPQRB-CTNGQTDRSA-N 0 0 528.693 2.062 50 0 KEAARN CC[C@H](C)N(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000023080655 553770740 /nfs/dbraw/zinc/77/07/40/553770740.db2.gz JMBOKOCQFJPQRB-FPOVZHCZSA-N 0 0 528.693 2.062 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3cccc4c3OC(C)(C)C4)CC2)cc1 ZINC000023080670 553770735 /nfs/dbraw/zinc/77/07/35/553770735.db2.gz LNKLBPHXBOLYHF-UHFFFAOYSA-N 0 0 502.589 2.164 50 0 KEAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000023109518 553770669 /nfs/dbraw/zinc/77/06/69/553770669.db2.gz NVIUWKUEADBAOL-UHFFFAOYSA-N 0 0 507.996 2.048 50 0 KEAARN CCOC(=O)CCCC(=O)N1CCN(c2ncccc2C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000023304067 553771960 /nfs/dbraw/zinc/77/19/60/553771960.db2.gz NZOGXICAEDQNBE-UHFFFAOYSA-N 0 0 512.607 2.453 50 0 KEAARN CCOC(=O)CCCNC(=O)N1CCN(c2ncccc2C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000023306036 553772289 /nfs/dbraw/zinc/77/22/89/553772289.db2.gz ZORXKJQKOFTBOI-UHFFFAOYSA-N 0 0 527.622 2.246 50 0 KEAARN COC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N(C)CCc3ccccc3)ccc2OC)CC1 ZINC000023316889 553772576 /nfs/dbraw/zinc/77/25/76/553772576.db2.gz MJXOCTAZDPLQJV-UHFFFAOYSA-N 0 0 503.621 2.160 50 0 KEAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)[C@H](C)OC(C)=O)CC1 ZINC000023318811 553772498 /nfs/dbraw/zinc/77/24/98/553772498.db2.gz FLRBCEXMAWCKAN-IBGZPJMESA-N 0 0 503.621 2.159 50 0 KEAARN COC(=O)CCCC(=O)N1CCN(c2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2OC)CC1 ZINC000023319039 553772591 /nfs/dbraw/zinc/77/25/91/553772591.db2.gz CSQQFZCYUVVRAG-UHFFFAOYSA-N 0 0 521.611 2.347 50 0 KEAARN CCOC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)NCCc3ccc(F)cc3)ccc2OC)CC1 ZINC000023319864 553772857 /nfs/dbraw/zinc/77/28/57/553772857.db2.gz WJBQFQINGQIWQI-UHFFFAOYSA-N 0 0 521.611 2.347 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)C(C)(C)OC(C)=O)CC1 ZINC000023324061 553773014 /nfs/dbraw/zinc/77/30/14/553773014.db2.gz RBDMSZQAGXZZQD-UHFFFAOYSA-N 0 0 521.611 2.346 50 0 KEAARN COC(=O)C(=O)N1CCN(c2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2OC)CC1 ZINC000023325342 553773027 /nfs/dbraw/zinc/77/30/27/553773027.db2.gz UZMHNUIFBWWOFS-UHFFFAOYSA-N 0 0 515.632 2.160 50 0 KEAARN COC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2OC)CC1 ZINC000023329553 553773113 /nfs/dbraw/zinc/77/31/13/553773113.db2.gz HSIRFVKJRLBMLO-UHFFFAOYSA-N 0 0 501.605 2.044 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(F)cc4F)CC3)c2)CC1 ZINC000023330909 553773278 /nfs/dbraw/zinc/77/32/78/553773278.db2.gz JSSOUHSKRKIABZ-UHFFFAOYSA-N 0 0 508.591 2.262 50 0 KEAARN COC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc2OC)CC1 ZINC000023331054 553773275 /nfs/dbraw/zinc/77/32/75/553773275.db2.gz XDNRQRCPLVEPMI-UHFFFAOYSA-N 0 0 505.593 2.131 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)[C@H](C)OC(C)=O)CC1 ZINC000023331297 553773282 /nfs/dbraw/zinc/77/32/82/553773282.db2.gz AOOUNDKPCULANS-SFHVURJKSA-N 0 0 501.605 2.042 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(F)ccc4F)CC3)c2)CC1 ZINC000023331374 553773283 /nfs/dbraw/zinc/77/32/83/553773283.db2.gz DRWOJUVBYQSUBE-UHFFFAOYSA-N 0 0 508.591 2.262 50 0 KEAARN COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)c1 ZINC000023331412 553773294 /nfs/dbraw/zinc/77/32/94/553773294.db2.gz WVDKJFBJTHAUAZ-UHFFFAOYSA-N 0 0 517.526 2.481 50 0 KEAARN COC(=O)CCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2OC)CC1 ZINC000023331968 553773286 /nfs/dbraw/zinc/77/32/86/553773286.db2.gz ZFGOQNRIUSUGFN-UHFFFAOYSA-N 0 0 515.632 2.434 50 0 KEAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@H](C)OC(C)=O)CC3)c2)cc1 ZINC000023332414 553773288 /nfs/dbraw/zinc/77/32/88/553773288.db2.gz UJKCBSCRYWOEGP-KRWDZBQOSA-N 0 0 505.593 2.129 50 0 KEAARN CCOC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc2OC)CC1 ZINC000023332538 553773289 /nfs/dbraw/zinc/77/32/89/553773289.db2.gz IGXYSWJZJJWJCY-UHFFFAOYSA-N 0 0 515.632 2.434 50 0 KEAARN CC(C)(C)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCCN1CCOCC1 ZINC000023334906 553773784 /nfs/dbraw/zinc/77/37/84/553773784.db2.gz IKALTMKUKIGXSB-UHFFFAOYSA-N 0 0 524.709 2.487 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)C(C)(C)OC(C)=O)CC1 ZINC000023334908 553773800 /nfs/dbraw/zinc/77/38/00/553773800.db2.gz HZHDOXFVDXLGMX-UHFFFAOYSA-N 0 0 515.632 2.433 50 0 KEAARN COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC000023335102 553773832 /nfs/dbraw/zinc/77/38/32/553773832.db2.gz XJNGTZZJPIWRIZ-UHFFFAOYSA-N 0 0 511.666 2.254 50 0 KEAARN CCCCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NCCOC)ccc3OC)CC2)cc1 ZINC000023336253 553774178 /nfs/dbraw/zinc/77/41/78/553774178.db2.gz RUSWBHCFWCYZTO-UHFFFAOYSA-N 0 0 525.693 2.473 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)c2)CC1 ZINC000023336357 553774089 /nfs/dbraw/zinc/77/40/89/553774089.db2.gz PAYVRIAAJBFDLC-UHFFFAOYSA-N 0 0 532.663 2.001 50 0 KEAARN COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000023336785 553774510 /nfs/dbraw/zinc/77/45/10/553774510.db2.gz DYLVMTQZMADRGY-UHFFFAOYSA-N 0 0 511.666 2.056 50 0 KEAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3OC)CC2)cc1 ZINC000023425248 553775084 /nfs/dbraw/zinc/77/50/84/553775084.db2.gz DQWUESJFSUTCFR-FQEVSTJZSA-N 0 0 523.677 2.226 50 0 KEAARN CCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3OC)CC2)cc1 ZINC000023425252 553775148 /nfs/dbraw/zinc/77/51/48/553775148.db2.gz DQWUESJFSUTCFR-HXUWFJFHSA-N 0 0 523.677 2.226 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c1 ZINC000023430465 553775618 /nfs/dbraw/zinc/77/56/18/553775618.db2.gz ADCLXUGBBCFERX-UHFFFAOYSA-N 0 0 524.665 2.195 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1 ZINC000023435625 553776850 /nfs/dbraw/zinc/77/68/50/553776850.db2.gz TUEHEHGIFHWSOS-UHFFFAOYSA-N 0 0 527.665 2.254 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 ZINC000023438200 553777435 /nfs/dbraw/zinc/77/74/35/553777435.db2.gz OHVYGZJZQLMBPF-UHFFFAOYSA-N 0 0 527.665 2.254 50 0 KEAARN CCCc1ccc(S(=O)(=O)N2CCN(c3c(CCC(=O)OCC)c(C)nc4ncnn43)CC2)cc1 ZINC000023454609 553783618 /nfs/dbraw/zinc/78/36/18/553783618.db2.gz YAVYLNISYRJOLA-UHFFFAOYSA-N 0 0 500.625 2.392 50 0 KEAARN CCCCc1ccc(S(=O)(=O)N2CCN(c3c(CC(=O)OCC)c(C)nc4ncnn43)CC2)cc1 ZINC000023455378 553783849 /nfs/dbraw/zinc/78/38/49/553783849.db2.gz UZALVFCZRDMAJR-UHFFFAOYSA-N 0 0 500.625 2.392 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000023455425 553783839 /nfs/dbraw/zinc/78/38/39/553783839.db2.gz VDDWQJRHFNSGBZ-UHFFFAOYSA-N 0 0 527.582 2.308 50 0 KEAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000023456573 553784097 /nfs/dbraw/zinc/78/40/97/553784097.db2.gz JEHIJGGVVRETTK-UHFFFAOYSA-N 0 0 523.615 2.490 50 0 KEAARN COc1cccc(S(=O)(=O)N2CCN(c3ncccc3C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000023456862 553784441 /nfs/dbraw/zinc/78/44/41/553784441.db2.gz DOEFLUXCHJONQH-UHFFFAOYSA-N 0 0 510.572 2.260 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000023457992 553784684 /nfs/dbraw/zinc/78/46/84/553784684.db2.gz WSCZGQXYSHNORM-UHFFFAOYSA-N 0 0 507.016 2.401 50 0 KEAARN O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(S(=O)(=O)c2cccc(Cl)n2)CC1 ZINC000023458575 553784959 /nfs/dbraw/zinc/78/49/59/553784959.db2.gz BXQYKJPBKQHZBY-UHFFFAOYSA-N 0 0 515.979 2.300 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000023458713 553785028 /nfs/dbraw/zinc/78/50/28/553785028.db2.gz OQFFWWCHFISJRP-UHFFFAOYSA-N 0 0 500.625 2.365 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1 ZINC000023458990 553784962 /nfs/dbraw/zinc/78/49/62/553784962.db2.gz UZEOGQQVTBOTCP-UHFFFAOYSA-N 0 0 507.016 2.401 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000023459383 553785172 /nfs/dbraw/zinc/78/51/72/553785172.db2.gz LJQWWTQHVILLBQ-UHFFFAOYSA-N 0 0 510.979 2.232 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000023460183 553785867 /nfs/dbraw/zinc/78/58/67/553785867.db2.gz IDQIXINMJQSPOI-UHFFFAOYSA-N 0 0 510.979 2.232 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023460450 553785794 /nfs/dbraw/zinc/78/57/94/553785794.db2.gz NAJLNQNFGRMENC-UHFFFAOYSA-N 0 0 522.583 2.454 50 0 KEAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023461027 553786061 /nfs/dbraw/zinc/78/60/61/553786061.db2.gz MPWDKQBTFHQMMF-UHFFFAOYSA-N 0 0 512.514 2.068 50 0 KEAARN CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000023461102 553786011 /nfs/dbraw/zinc/78/60/11/553786011.db2.gz BQHNIODNDRHSLA-UHFFFAOYSA-N 0 0 513.407 2.356 50 0 KEAARN CC[C@H](c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1CCN1CCOCC1)N(C)C ZINC000024001825 553788199 /nfs/dbraw/zinc/78/81/99/553788199.db2.gz IISBZSRRACIQKU-GOSISDBHSA-N 0 0 517.656 2.169 50 0 KEAARN CC[C@@H](c1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)n1CCN1CCOCC1)N(C)C ZINC000024001827 553788182 /nfs/dbraw/zinc/78/81/82/553788182.db2.gz IISBZSRRACIQKU-SFHVURJKSA-N 0 0 517.656 2.169 50 0 KEAARN CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)NC(=O)N[C@@H]1c1ccco1 ZINC000024002387 553788222 /nfs/dbraw/zinc/78/82/22/553788222.db2.gz OTFRGZOABABQDV-LJQANCHMSA-N 0 0 523.589 2.156 50 0 KEAARN CCOC(=O)C1=C(COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)NC(=O)N[C@H]1c1ccco1 ZINC000024002389 553788211 /nfs/dbraw/zinc/78/82/11/553788211.db2.gz OTFRGZOABABQDV-IBGZPJMESA-N 0 0 523.589 2.156 50 0 KEAARN CC(C)CN(C(=O)COC(=O)c1ccc(Br)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024716316 553791296 /nfs/dbraw/zinc/79/12/96/553791296.db2.gz AGCQODPCCQXTND-UHFFFAOYSA-N 0 0 519.352 2.369 50 0 KEAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000024745450 553791323 /nfs/dbraw/zinc/79/13/23/553791323.db2.gz AWDQJRXAXFSCCH-UHFFFAOYSA-N 0 0 522.949 2.134 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O ZINC000024746394 553791309 /nfs/dbraw/zinc/79/13/09/553791309.db2.gz WBLCVPVNAMDHOB-KRWDZBQOSA-N 0 0 515.611 2.368 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O ZINC000024746400 553791358 /nfs/dbraw/zinc/79/13/58/553791358.db2.gz WBLCVPVNAMDHOB-QGZVFWFLSA-N 0 0 515.611 2.368 50 0 KEAARN CCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000024746432 553791298 /nfs/dbraw/zinc/79/12/98/553791298.db2.gz PPRNCXYRSGDYQV-OAHLLOKOSA-N 0 0 503.668 2.376 50 0 KEAARN CCCN(C(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000024746437 553791642 /nfs/dbraw/zinc/79/16/42/553791642.db2.gz PPRNCXYRSGDYQV-HNNXBMFYSA-N 0 0 503.668 2.376 50 0 KEAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000024749484 553791646 /nfs/dbraw/zinc/79/16/46/553791646.db2.gz YDCNQBUICMDSPT-UHFFFAOYSA-N 0 0 515.009 2.326 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O ZINC000024750478 553791578 /nfs/dbraw/zinc/79/15/78/553791578.db2.gz TWWACEWMSUPULL-UHFFFAOYSA-N 0 0 505.531 2.013 50 0 KEAARN CCCCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000024752253 553791652 /nfs/dbraw/zinc/79/16/52/553791652.db2.gz PEQVAKRZPPOVQU-IBGZPJMESA-N 0 0 529.638 2.160 50 0 KEAARN CCCCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000024752259 553791582 /nfs/dbraw/zinc/79/15/82/553791582.db2.gz PEQVAKRZPPOVQU-LJQANCHMSA-N 0 0 529.638 2.160 50 0 KEAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 ZINC000024756118 553791857 /nfs/dbraw/zinc/79/18/57/553791857.db2.gz JMNFIHYUTLWGFZ-GOSISDBHSA-N 0 0 506.600 2.004 50 0 KEAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 ZINC000024756124 553791862 /nfs/dbraw/zinc/79/18/62/553791862.db2.gz JMNFIHYUTLWGFZ-SFHVURJKSA-N 0 0 506.600 2.004 50 0 KEAARN COc1ccc(NC(=O)CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1 ZINC000024764315 553791797 /nfs/dbraw/zinc/79/17/97/553791797.db2.gz ODGAJCAOEMEAID-UHFFFAOYSA-N 0 0 509.544 2.376 50 0 KEAARN Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000024764378 553791795 /nfs/dbraw/zinc/79/17/95/553791795.db2.gz GHRLPDUCFZFDCZ-SFHVURJKSA-N 0 0 515.611 2.423 50 0 KEAARN Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000024764386 553791869 /nfs/dbraw/zinc/79/18/69/553791869.db2.gz GHRLPDUCFZFDCZ-GOSISDBHSA-N 0 0 515.611 2.423 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000024772976 553792177 /nfs/dbraw/zinc/79/21/77/553792177.db2.gz JGDIRZDHOYPEFW-QGZVFWFLSA-N 0 0 506.003 2.104 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(=O)[nH]c1=O ZINC000024772984 553792439 /nfs/dbraw/zinc/79/24/39/553792439.db2.gz JGDIRZDHOYPEFW-KRWDZBQOSA-N 0 0 506.003 2.104 50 0 KEAARN COc1ccc(C(C)=O)cc1COC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000024832786 553792513 /nfs/dbraw/zinc/79/25/13/553792513.db2.gz ZLTZULWWKFIJDY-UHFFFAOYSA-N 0 0 516.595 2.499 50 0 KEAARN Cc1ccc(C(=O)NCCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000025049131 553792752 /nfs/dbraw/zinc/79/27/52/553792752.db2.gz NEURKXXZHNHXNG-UHFFFAOYSA-N 0 0 501.605 2.103 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCCNC(=O)c2ccccc2)C(C)C)c1 ZINC000025049137 553792912 /nfs/dbraw/zinc/79/29/12/553792912.db2.gz MFICVTAIQOTWLR-QFIPXVFZSA-N 0 0 502.637 2.018 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)NCCNC(=O)c2ccccc2)C(C)C)c1 ZINC000025049143 553792778 /nfs/dbraw/zinc/79/27/78/553792778.db2.gz MFICVTAIQOTWLR-JOCHJYFZSA-N 0 0 502.637 2.018 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000025142719 553793673 /nfs/dbraw/zinc/79/36/73/553793673.db2.gz YEDMAPAOLZUPMJ-UHFFFAOYSA-N 0 0 523.015 2.101 50 0 KEAARN CN1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C1 ZINC000025156136 553798727 /nfs/dbraw/zinc/79/87/27/553798727.db2.gz HBFSAZGHILKGNN-UHFFFAOYSA-N 0 0 524.599 2.039 50 0 KEAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1OC ZINC000025161644 553802810 /nfs/dbraw/zinc/80/28/10/553802810.db2.gz GBBSGXVYSFHNTP-UHFFFAOYSA-N 0 0 513.580 2.314 50 0 KEAARN O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2sc3c(c21)CCCC3 ZINC000025266466 553806016 /nfs/dbraw/zinc/80/60/16/553806016.db2.gz ZIEJNJDOGXYEOF-UHFFFAOYSA-N 0 0 502.618 2.141 50 0 KEAARN Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000025286666 553806434 /nfs/dbraw/zinc/80/64/34/553806434.db2.gz NPWHZIZYZNKLPQ-UHFFFAOYSA-N 0 0 518.039 2.351 50 0 KEAARN COc1cc2nc(CN3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)[nH]c(=O)c2cc1OC ZINC000025397028 553808364 /nfs/dbraw/zinc/80/83/64/553808364.db2.gz DNDUQHVJGFJPHZ-UHFFFAOYSA-N 0 0 512.510 2.466 50 0 KEAARN COc1ccc(/C=C/C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000025397875 553808345 /nfs/dbraw/zinc/80/83/45/553808345.db2.gz QCTZNDNGUWDXPQ-HWKANZROSA-N 0 0 518.632 2.358 50 0 KEAARN COc1ccc(NC(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)c1 ZINC000025398393 553808543 /nfs/dbraw/zinc/80/85/43/553808543.db2.gz AUEFVWAYPWAVFO-UHFFFAOYSA-N 0 0 522.576 2.496 50 0 KEAARN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)NCCCN1CCCC1=O ZINC000025422181 553808621 /nfs/dbraw/zinc/80/86/21/553808621.db2.gz XGCVXMFVRSDCGJ-UHFFFAOYSA-N 0 0 507.996 2.104 50 0 KEAARN COC(=O)C1CCN(C(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)CC1 ZINC000025424285 553808916 /nfs/dbraw/zinc/80/89/16/553808916.db2.gz DAOLNLKRLWOXBJ-UHFFFAOYSA-N 0 0 508.980 2.387 50 0 KEAARN C[C@@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000025425011 553809288 /nfs/dbraw/zinc/80/92/88/553809288.db2.gz SXZRVJVPUORWDC-LJQANCHMSA-N 0 0 525.583 2.288 50 0 KEAARN C[C@H](OC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000025425016 553809221 /nfs/dbraw/zinc/80/92/21/553809221.db2.gz SXZRVJVPUORWDC-IBGZPJMESA-N 0 0 525.583 2.288 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1 ZINC000025436268 553809260 /nfs/dbraw/zinc/80/92/60/553809260.db2.gz NBEHYWATFSGKKW-UHFFFAOYSA-N 0 0 515.661 2.072 50 0 KEAARN C[C@@H]1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccc6c(c5)OCCO6)CC4)[nH]c(=O)c32)C1 ZINC000025515874 553809760 /nfs/dbraw/zinc/80/97/60/553809760.db2.gz HCTFFGOFLRFESV-OAHLLOKOSA-N 0 0 516.645 2.387 50 0 KEAARN C[C@H]1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccc6c(c5)OCCO6)CC4)[nH]c(=O)c32)C1 ZINC000025515879 553809821 /nfs/dbraw/zinc/80/98/21/553809821.db2.gz HCTFFGOFLRFESV-HNNXBMFYSA-N 0 0 516.645 2.387 50 0 KEAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1ccc2ccccc2c1 ZINC000025703451 553812984 /nfs/dbraw/zinc/81/29/84/553812984.db2.gz IDDCKVRTYNIQQV-QFIPXVFZSA-N 0 0 507.568 2.249 50 0 KEAARN O=C(CCS(=O)(=O)c1ccccc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000025748425 571360693 /nfs/dbraw/zinc/36/06/93/571360693.db2.gz KGHCMNKDPJTMHX-UHFFFAOYSA-N 0 0 500.646 2.372 50 0 KEAARN CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000025762923 571360698 /nfs/dbraw/zinc/36/06/98/571360698.db2.gz SYWWPBYRTBWRKE-SDHOMARFSA-N 0 0 526.703 2.429 50 0 KEAARN CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000025762928 571360679 /nfs/dbraw/zinc/36/06/79/571360679.db2.gz SYWWPBYRTBWRKE-GVAUOCQISA-N 0 0 526.703 2.429 50 0 KEAARN COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)N2CCOCC2)cc1 ZINC000025764289 553813322 /nfs/dbraw/zinc/81/33/22/553813322.db2.gz XBKFENNYPADPRD-HXUWFJFHSA-N 0 0 502.618 2.110 50 0 KEAARN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)N2CCOCC2)cc1 ZINC000025764294 553813350 /nfs/dbraw/zinc/81/33/50/553813350.db2.gz XBKFENNYPADPRD-FQEVSTJZSA-N 0 0 502.618 2.110 50 0 KEAARN CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000025782900 553813822 /nfs/dbraw/zinc/81/38/22/553813822.db2.gz MXYYWCNXBKZDAW-QGZVFWFLSA-N 0 0 514.380 2.262 50 0 KEAARN CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C ZINC000026400996 291733742 /nfs/dbraw/zinc/73/37/42/291733742.db2.gz WPPPFZJNKLMYBW-FAEUQDRCSA-N 0 0 630.687 2.015 50 0 biogenic,in-vitro KEAARN O=C(CCN1C(=O)c2ccccc2C1=O)NCCCCCCNC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000027533729 553832376 /nfs/dbraw/zinc/83/23/76/553832376.db2.gz JFJKOMSGLPFFKY-UHFFFAOYSA-N 0 0 518.570 2.152 50 0 KEAARN CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O ZINC000027534473 553832617 /nfs/dbraw/zinc/83/26/17/553832617.db2.gz YGILZDWHMAOHQL-UHFFFAOYSA-N 0 0 525.631 2.322 50 0 KEAARN Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1 ZINC000027571004 553835237 /nfs/dbraw/zinc/83/52/37/553835237.db2.gz OSBYPIINSILNLQ-HMAPJEAMSA-N 0 0 501.543 2.340 50 0 KEAARN Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O ZINC000027571008 553835219 /nfs/dbraw/zinc/83/52/19/553835219.db2.gz WTADQOCDVROMGR-HMAPJEAMSA-N 0 0 501.543 2.340 50 0 KEAARN O=C(C=C1SC(=O)NC1=O)Oc1ccc(C=NNC(=O)Cn2ncn(-c3ccccc3)c2=S)cc1 ZINC000027642130 1066355474 /nfs/dbraw/zinc/35/54/74/1066355474.db2.gz VHTQHVWKTVGBNT-ODSHWVGSSA-N 0 0 508.541 2.326 50 0 KEAARN O=C(C=C1SC(=O)NC1=O)Oc1ccccc1C=NNC(=O)Cn1ncn(-c2ccccc2)c1=S ZINC000027642137 1066355436 /nfs/dbraw/zinc/35/54/36/1066355436.db2.gz ZDEOMKZZESSWRD-ODSHWVGSSA-N 0 0 508.541 2.326 50 0 KEAARN COc1ccc(C(=O)NCCc2nnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2C)cc1 ZINC000028211704 553838935 /nfs/dbraw/zinc/83/89/35/553838935.db2.gz BCBFGUQAJUUMHL-UHFFFAOYSA-N 0 0 512.611 2.376 50 0 KEAARN CCCSc1nc2c(nnn2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)c(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000028957444 553844069 /nfs/dbraw/zinc/84/40/69/553844069.db2.gz OEKWJQXRCDYSHL-FNOIDJSQSA-N 0 0 522.578 2.014 50 0 fda KEAARN CC(C)(c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1)c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000029747560 553848277 /nfs/dbraw/zinc/84/82/77/553848277.db2.gz LBQAXSFSMVPISK-SZPZYZBQSA-N 0 0 596.681 2.153 50 0 KEAARN CC(C)(c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1)c1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000029747562 553848210 /nfs/dbraw/zinc/84/82/10/553848210.db2.gz LBQAXSFSMVPISK-VXKWHMMOSA-N 0 0 596.681 2.153 50 0 KEAARN CC(C)(c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1)c1ccc(OC[C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 ZINC000029747564 553848227 /nfs/dbraw/zinc/84/82/27/553848227.db2.gz LBQAXSFSMVPISK-FGZHOGPDSA-N 0 0 596.681 2.153 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2-3)C[C@@H](C)O1 ZINC000029747776 553848659 /nfs/dbraw/zinc/84/86/59/553848659.db2.gz DHBIPMQGIAFGHM-BALXVJCKSA-N 0 0 534.656 2.494 50 0 KEAARN Cc1ccc(-c2nn(CC(=O)NCc3ccccn3)c(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000029748593 553849659 /nfs/dbraw/zinc/84/96/59/553849659.db2.gz WROHJNDYYANYCU-UHFFFAOYSA-N 0 0 533.610 2.104 50 0 KEAARN COc1ccc(CN2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCCCCC5)cc43)CC2)c(OC)c1OC ZINC000029748687 553849737 /nfs/dbraw/zinc/84/97/37/553849737.db2.gz XWXIKQPRCUKBKM-UHFFFAOYSA-N 0 0 616.737 2.347 50 0 KEAARN O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029748690 553849721 /nfs/dbraw/zinc/84/97/21/553849721.db2.gz UNBQRRLDEZJRPK-UHFFFAOYSA-N 0 0 570.668 2.050 50 0 KEAARN CCOC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000029749038 553850739 /nfs/dbraw/zinc/85/07/39/553850739.db2.gz WPZKRVMJWOKEDL-DNQXCXABSA-N 0 0 584.670 2.131 50 0 KEAARN CCOC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000029749042 553850725 /nfs/dbraw/zinc/85/07/25/553850725.db2.gz WPZKRVMJWOKEDL-BJKOFHAPSA-N 0 0 584.670 2.131 50 0 KEAARN CCOC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000029749046 553850735 /nfs/dbraw/zinc/85/07/35/553850735.db2.gz WPZKRVMJWOKEDL-RPWUZVMVSA-N 0 0 584.670 2.131 50 0 KEAARN CCOC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000029749050 553850705 /nfs/dbraw/zinc/85/07/05/553850705.db2.gz WPZKRVMJWOKEDL-ZEQRLZLVSA-N 0 0 584.670 2.131 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)N(c3cccnc3)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)ccc21 ZINC000029749099 553851053 /nfs/dbraw/zinc/85/10/53/553851053.db2.gz AGDADYAFKHIHSB-UHFFFAOYSA-N 0 0 540.623 2.484 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000029749100 553851078 /nfs/dbraw/zinc/85/10/78/553851078.db2.gz KMWWANYCBSQEIA-QFIPXVFZSA-N 0 0 610.743 2.153 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4cccs4)C(=O)N32)cc1 ZINC000029749104 553850972 /nfs/dbraw/zinc/85/09/72/553850972.db2.gz KMWWANYCBSQEIA-JOCHJYFZSA-N 0 0 610.743 2.153 50 0 KEAARN COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000029749127 553851016 /nfs/dbraw/zinc/85/10/16/553851016.db2.gz JFZAGIMPQLTWNQ-DEOSSOPVSA-N 0 0 634.740 2.100 50 0 KEAARN COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000029749130 553851072 /nfs/dbraw/zinc/85/10/72/553851072.db2.gz JFZAGIMPQLTWNQ-XMMPIXPASA-N 0 0 634.740 2.100 50 0 KEAARN O[C@@H](COCCOCCOCCOCc1ccccc1)[C@@H](O)COCCOCCOCCOCc1ccccc1 ZINC000029749147 553850981 /nfs/dbraw/zinc/85/09/81/553850981.db2.gz HLPDFDKZIJOFGV-KYJUHHDHSA-N 0 0 566.688 2.241 50 0 KEAARN O[C@H](COCCOCCOCCOCc1ccccc1)[C@@H](O)COCCOCCOCCOCc1ccccc1 ZINC000029749150 553851011 /nfs/dbraw/zinc/85/10/11/553851011.db2.gz HLPDFDKZIJOFGV-RNPORBBMSA-N 0 0 566.688 2.241 50 0 KEAARN O[C@H](COCCOCCOCCOCc1ccccc1)[C@H](O)COCCOCCOCCOCc1ccccc1 ZINC000029749154 553851032 /nfs/dbraw/zinc/85/10/32/553851032.db2.gz HLPDFDKZIJOFGV-LOYHVIPDSA-N 0 0 566.688 2.241 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CN3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)CC(C(=O)c4ccccc4)(C3)C2)cc1 ZINC000029749218 553851338 /nfs/dbraw/zinc/85/13/38/553851338.db2.gz RTSAJALJOIBNGJ-UHFFFAOYSA-N 0 0 625.729 2.399 50 0 KEAARN CCOc1ccc(CCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1OCC ZINC000029749219 553851280 /nfs/dbraw/zinc/85/12/80/553851280.db2.gz JMKIVFFLQTWYFR-UHFFFAOYSA-N 0 0 563.698 2.303 50 0 KEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)[nH]c3c2cc1OC ZINC000029749269 553851595 /nfs/dbraw/zinc/85/15/95/553851595.db2.gz KEEMMOAIUKHRFX-GOSISDBHSA-N 0 0 551.625 2.225 50 0 KEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)[nH]c3c2cc1OC ZINC000029749271 553851670 /nfs/dbraw/zinc/85/16/70/553851670.db2.gz KEEMMOAIUKHRFX-SFHVURJKSA-N 0 0 551.625 2.225 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029749298 553851648 /nfs/dbraw/zinc/85/16/48/553851648.db2.gz DCGREELFOUCFBN-UHFFFAOYSA-N 0 0 529.644 2.165 50 0 KEAARN Cn1c2nc(CN3CCN(C(=O)c4ccco4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000029749390 553851896 /nfs/dbraw/zinc/85/18/96/553851896.db2.gz YMBXFMDKSXTSAE-UHFFFAOYSA-N 0 0 531.400 2.340 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1OC ZINC000029749740 553852488 /nfs/dbraw/zinc/85/24/88/553852488.db2.gz JHYOMGPIKPXVKE-UHFFFAOYSA-N 0 0 580.619 2.011 50 0 KEAARN O=C(CCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000029749755 553852861 /nfs/dbraw/zinc/85/28/61/553852861.db2.gz RPVRZUOSCJLECL-UHFFFAOYSA-N 0 0 545.577 2.106 50 0 KEAARN O=C(CCCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000029749931 553853175 /nfs/dbraw/zinc/85/31/75/553853175.db2.gz ADTZXSIGLARPJO-UHFFFAOYSA-N 0 0 553.575 2.435 50 0 KEAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000029752499 553853340 /nfs/dbraw/zinc/85/33/40/553853340.db2.gz RTHUDVLNMQYLPF-UHFFFAOYSA-N 0 0 551.669 2.306 50 0 KEAARN Cc1sc2ncn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000029752561 553853741 /nfs/dbraw/zinc/85/37/41/553853741.db2.gz FDGCXFLEIFNDAG-UHFFFAOYSA-N 0 0 588.115 2.080 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCC(Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCOCC1 ZINC000029752567 553853847 /nfs/dbraw/zinc/85/38/47/553853847.db2.gz MBUHWXDQQNPOED-UHFFFAOYSA-N 0 0 530.672 2.269 50 0 KEAARN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)ccc1O ZINC000030849592 553857732 /nfs/dbraw/zinc/85/77/32/553857732.db2.gz SQPKFVCZWXTBAL-YLVTVWEBSA-N 0 0 501.568 2.322 50 0 KEAARN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4)c(=O)n32)ccc1O ZINC000030849596 553857753 /nfs/dbraw/zinc/85/77/53/553857753.db2.gz SQPKFVCZWXTBAL-KIHONOKQSA-N 0 0 501.568 2.322 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)CC2)c(C)c1 ZINC000032636227 553871205 /nfs/dbraw/zinc/87/12/05/553871205.db2.gz HERIWCQFNLKOOJ-DEOSSOPVSA-N 0 0 519.023 2.257 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)CC2)c(C)c1 ZINC000032636229 553871352 /nfs/dbraw/zinc/87/13/52/553871352.db2.gz HERIWCQFNLKOOJ-XMMPIXPASA-N 0 0 519.023 2.257 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1C ZINC000032638430 553871329 /nfs/dbraw/zinc/87/13/29/553871329.db2.gz BNCAKLLXIKFBBQ-UHFFFAOYSA-N 0 0 505.593 2.115 50 0 KEAARN CCN(C(=O)COC(=O)COc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666472 553872179 /nfs/dbraw/zinc/87/21/79/553872179.db2.gz NWLXUOVNCKBRCJ-UHFFFAOYSA-N 0 0 521.357 2.449 50 0 KEAARN CC(C)CN(C(=O)COC(=O)CCC(=O)c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666474 553872442 /nfs/dbraw/zinc/87/24/42/553872442.db2.gz CRYFWETUDJPIPF-UHFFFAOYSA-N 0 0 512.588 2.424 50 0 KEAARN CCN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666482 553872471 /nfs/dbraw/zinc/87/24/71/553872471.db2.gz YCVOLFPVELGOFR-UHFFFAOYSA-N 0 0 512.950 2.380 50 0 KEAARN CCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666493 553872468 /nfs/dbraw/zinc/87/24/68/553872468.db2.gz YLEUKCHWNGKMKX-UHFFFAOYSA-N 0 0 507.572 2.306 50 0 KEAARN CCN(C(=O)COC(=O)c1c2c(nc3ccccc31)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666495 553872501 /nfs/dbraw/zinc/87/25/01/553872501.db2.gz ATZTYTBHQSKHGV-UHFFFAOYSA-N 0 0 513.554 2.414 50 0 KEAARN CCN(C(=O)COC(=O)COc1ccc(Cl)c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666497 553872414 /nfs/dbraw/zinc/87/24/14/553872414.db2.gz CQOHOSUUDSEXLI-UHFFFAOYSA-N 0 0 500.939 2.104 50 0 KEAARN CCN(C(=O)COC(=O)c1c(C)c(C)sc1NC(C)=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666506 553872516 /nfs/dbraw/zinc/87/25/16/553872516.db2.gz GHNXULDFVIIMBC-UHFFFAOYSA-N 0 0 513.576 2.014 50 0 KEAARN CCN(C(=O)COC(=O)CCCOc1ccc(C(C)=O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666510 553872802 /nfs/dbraw/zinc/87/28/02/553872802.db2.gz XUTMHVMQYDCZQT-UHFFFAOYSA-N 0 0 522.558 2.125 50 0 KEAARN COCCN(C(=O)COC(=O)c1oc2ccccc2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666516 553872790 /nfs/dbraw/zinc/87/27/90/553872790.db2.gz MUPSMPNISVRHDB-UHFFFAOYSA-N 0 0 506.515 2.058 50 0 KEAARN CCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666519 553872849 /nfs/dbraw/zinc/87/28/49/553872849.db2.gz JPZUNFLZCAWQSC-UHFFFAOYSA-N 0 0 506.515 2.440 50 0 KEAARN CCN(C(=O)COC(=O)C=Cc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666613 553872817 /nfs/dbraw/zinc/87/28/17/553872817.db2.gz YAZJFDGLVZCKJH-OUKQBFOZSA-N 0 0 505.556 2.386 50 0 KEAARN CCN(C(=O)COC(=O)c1c(C)nn(-c2ccccc2)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032666614 553872911 /nfs/dbraw/zinc/87/29/11/553872911.db2.gz RDYCADAEGCBGRE-UHFFFAOYSA-N 0 0 516.558 2.180 50 0 KEAARN COCCN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032667649 553872928 /nfs/dbraw/zinc/87/29/28/553872928.db2.gz TXFGTKSQAXVIKU-INIZCTEOSA-N 0 0 526.615 2.190 50 0 KEAARN COCCN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032667651 553872864 /nfs/dbraw/zinc/87/28/64/553872864.db2.gz TXFGTKSQAXVIKU-MRXNPFEDSA-N 0 0 526.615 2.190 50 0 KEAARN CCCn1c(SCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1-c1ccncc1 ZINC000032668013 553872857 /nfs/dbraw/zinc/87/28/57/553872857.db2.gz ILGAFHMSUZEGHD-UHFFFAOYSA-N 0 0 520.619 2.376 50 0 KEAARN CCOC(=O)c1[nH]c(COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c(C(=O)OCC)c1C ZINC000032691738 553873178 /nfs/dbraw/zinc/87/31/78/553873178.db2.gz RHSSBDWQKXYNKD-UHFFFAOYSA-N 0 0 505.549 2.239 50 0 KEAARN COc1cc(OC)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)c1 ZINC000032721155 562037005 /nfs/dbraw/zinc/03/70/05/562037005.db2.gz FYBGGRWQWAGYNZ-ZBKNUEDVSA-N 0 0 513.528 2.015 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000032738692 553874682 /nfs/dbraw/zinc/87/46/82/553874682.db2.gz TZHGYNDGGWTMJJ-SFHVURJKSA-N 0 0 502.589 2.464 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000032738693 553874549 /nfs/dbraw/zinc/87/45/49/553874549.db2.gz TZHGYNDGGWTMJJ-GOSISDBHSA-N 0 0 502.589 2.464 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000032738694 553874677 /nfs/dbraw/zinc/87/46/77/553874677.db2.gz FVTGHQAKBDGURQ-INIZCTEOSA-N 0 0 504.561 2.453 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000032738695 553874675 /nfs/dbraw/zinc/87/46/75/553874675.db2.gz FVTGHQAKBDGURQ-MRXNPFEDSA-N 0 0 504.561 2.453 50 0 KEAARN COCCNc1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000032738713 553874498 /nfs/dbraw/zinc/87/44/98/553874498.db2.gz UKMXWQPKZCOULX-UHFFFAOYSA-N 0 0 508.047 2.002 50 0 KEAARN COc1ccc(OC)c(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 ZINC000032738776 553874620 /nfs/dbraw/zinc/87/46/20/553874620.db2.gz QJEBEYZZOGXALD-UXBLZVDNSA-N 0 0 502.589 2.410 50 0 KEAARN COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC ZINC000032744877 553874554 /nfs/dbraw/zinc/87/45/54/553874554.db2.gz SDWYYWMFQMIJCF-JXMROGBWSA-N 0 0 502.589 2.410 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccc(OC)cc1 ZINC000032766739 553874509 /nfs/dbraw/zinc/87/45/09/553874509.db2.gz STWWNIQTELCJNJ-UHFFFAOYSA-N 0 0 519.620 2.287 50 0 KEAARN O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000032769794 553874654 /nfs/dbraw/zinc/87/46/54/553874654.db2.gz YORQOPSAHRPDPB-UHFFFAOYSA-N 0 0 522.421 2.015 50 0 KEAARN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000032806452 553875080 /nfs/dbraw/zinc/87/50/80/553875080.db2.gz LRKSQSVZHOKSFQ-UHFFFAOYSA-N 0 0 509.613 2.455 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1OCC ZINC000032845707 553875624 /nfs/dbraw/zinc/87/56/24/553875624.db2.gz YAZXQOLCJZMLPN-UHFFFAOYSA-N 0 0 515.588 2.284 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4Cl)C3=O)CC2)c(C)c1 ZINC000032859546 553875629 /nfs/dbraw/zinc/87/56/29/553875629.db2.gz QGZOUAOYPCCWEE-DEOSSOPVSA-N 0 0 519.023 2.257 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccccc4Cl)C3=O)CC2)c(C)c1 ZINC000032859547 553875568 /nfs/dbraw/zinc/87/55/68/553875568.db2.gz QGZOUAOYPCCWEE-XMMPIXPASA-N 0 0 519.023 2.257 50 0 KEAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1=O ZINC000032859598 553875562 /nfs/dbraw/zinc/87/55/62/553875562.db2.gz CJAPMRLRCYVPJH-VWLOTQADSA-N 0 0 516.595 2.133 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1=O ZINC000032859599 553875643 /nfs/dbraw/zinc/87/56/43/553875643.db2.gz CJAPMRLRCYVPJH-RUZDIDTESA-N 0 0 516.595 2.133 50 0 KEAARN COc1ccc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(OC)c1 ZINC000032859676 553875516 /nfs/dbraw/zinc/87/55/16/553875516.db2.gz LWGWBAWUZYVOQO-JXMROGBWSA-N 0 0 502.589 2.410 50 0 KEAARN COc1ccc(NC(=O)[C@@H](OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1Cl ZINC000032876688 553875577 /nfs/dbraw/zinc/87/55/77/553875577.db2.gz GCKOQECZFGUWAG-FQEVSTJZSA-N 0 0 511.922 2.019 50 0 KEAARN COc1ccc(NC(=O)[C@H](OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)cc1Cl ZINC000032876689 553875676 /nfs/dbraw/zinc/87/56/76/553875676.db2.gz GCKOQECZFGUWAG-HXUWFJFHSA-N 0 0 511.922 2.019 50 0 KEAARN COc1cc(OC)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC ZINC000032909995 553875616 /nfs/dbraw/zinc/87/56/16/553875616.db2.gz DDVISXAWAVJOGR-UHFFFAOYSA-N 0 0 506.577 2.019 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C)c1 ZINC000032910191 553875901 /nfs/dbraw/zinc/87/59/01/553875901.db2.gz CBHCUAVLZMFCSD-UHFFFAOYSA-N 0 0 529.659 2.407 50 0 KEAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 ZINC000032910350 553875873 /nfs/dbraw/zinc/87/58/73/553875873.db2.gz ACQTVIWLIUORHT-UHFFFAOYSA-N 0 0 522.576 2.066 50 0 KEAARN CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000032910975 553876144 /nfs/dbraw/zinc/87/61/44/553876144.db2.gz SXMFGUUXFLZSQZ-KOEQRZSOSA-N 0 0 521.595 2.393 50 0 KEAARN Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000032911081 553876226 /nfs/dbraw/zinc/87/62/26/553876226.db2.gz GQTVYSGXIMPLOI-UHFFFAOYSA-N 0 0 508.618 2.182 50 0 KEAARN COCCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032937490 553876798 /nfs/dbraw/zinc/87/67/98/553876798.db2.gz XQXAWUALUOQCAU-HXUWFJFHSA-N 0 0 513.982 2.067 50 0 KEAARN COCCN(C(=O)C[C@H](NC(C)=O)c1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032937492 553876862 /nfs/dbraw/zinc/87/68/62/553876862.db2.gz XQXAWUALUOQCAU-FQEVSTJZSA-N 0 0 513.982 2.067 50 0 KEAARN CCN(C(=O)CSc1nnc(-c2ccccc2C)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032944895 553879809 /nfs/dbraw/zinc/87/98/09/553879809.db2.gz OGKQMPUJXBMWLG-UHFFFAOYSA-N 0 0 505.604 2.416 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)NCCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000032944985 553879739 /nfs/dbraw/zinc/87/97/39/553879739.db2.gz UERQBYBFJDXDMN-UHFFFAOYSA-N 0 0 529.638 2.124 50 0 KEAARN CCN(C(=O)CSc1n[nH]c(-c2ccc(OC)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032945217 553879915 /nfs/dbraw/zinc/87/99/15/553879915.db2.gz VPXLWKGAKIGAFR-UHFFFAOYSA-N 0 0 507.576 2.106 50 0 KEAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032957560 553881381 /nfs/dbraw/zinc/88/13/81/553881381.db2.gz GBQMBTMPFICXLQ-GOSISDBHSA-N 0 0 523.633 2.100 50 0 KEAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000032957561 553881378 /nfs/dbraw/zinc/88/13/78/553881378.db2.gz GBQMBTMPFICXLQ-SFHVURJKSA-N 0 0 523.633 2.100 50 0 KEAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)CC2)CC1 ZINC000032958561 553881763 /nfs/dbraw/zinc/88/17/63/553881763.db2.gz BFOLRRRQXCDQBA-UHFFFAOYSA-N 0 0 528.631 2.084 50 0 KEAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)CC3)CC2)c1 ZINC000032958563 553881792 /nfs/dbraw/zinc/88/17/92/553881792.db2.gz HNHOGPYLPKYUTB-UHFFFAOYSA-N 0 0 528.631 2.084 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC1)OCC(=O)N2 ZINC000032958628 553881772 /nfs/dbraw/zinc/88/17/72/553881772.db2.gz XSCVJXRZQGLKQX-UHFFFAOYSA-N 0 0 516.595 2.215 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1)N1CCN(c2ccccc2)CC1 ZINC000032958755 553881686 /nfs/dbraw/zinc/88/16/86/553881686.db2.gz TZLOGNQAARPIRJ-UHFFFAOYSA-N 0 0 519.023 2.420 50 0 KEAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958758 553881725 /nfs/dbraw/zinc/88/17/25/553881725.db2.gz VZJUKOXEIULUQN-UHFFFAOYSA-N 0 0 507.952 2.117 50 0 KEAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000032958817 553881681 /nfs/dbraw/zinc/88/16/81/553881681.db2.gz GRPXQNPMTXFNJM-UHFFFAOYSA-N 0 0 507.952 2.482 50 0 KEAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCC[N@@H+]1CCN(c3cccc(C)c3)[C@@H](C)C1)c2=O ZINC000032959226 553882023 /nfs/dbraw/zinc/88/20/23/553882023.db2.gz JDLMCKKQKWFIDY-IBGZPJMESA-N 0 0 523.659 2.497 50 0 KEAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCC[NH+]1CCN(c3cc(C)ccc3C)CC1)c2=O ZINC000032959227 553881976 /nfs/dbraw/zinc/88/19/76/553881976.db2.gz LNOATTIBRFMIEL-UHFFFAOYSA-N 0 0 523.659 2.417 50 0 KEAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)c2=O ZINC000032959241 553881884 /nfs/dbraw/zinc/88/18/84/553881884.db2.gz PWVFFJKSSAIFKY-UHFFFAOYSA-N 0 0 527.622 2.330 50 0 KEAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032960963 553882248 /nfs/dbraw/zinc/88/22/48/553882248.db2.gz MMAQQRWWVSQWEW-UHFFFAOYSA-N 0 0 503.621 2.444 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N(C)CC(=O)Nc3ccc(OC)cc3)c2c1 ZINC000032966651 553882477 /nfs/dbraw/zinc/88/24/77/553882477.db2.gz JRAYELULJOHGDM-UHFFFAOYSA-N 0 0 500.577 2.278 50 0 KEAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1OCC ZINC000032966705 553882815 /nfs/dbraw/zinc/88/28/15/553882815.db2.gz FYGNKYAEIFFFKM-UHFFFAOYSA-N 0 0 518.636 2.131 50 0 KEAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1OCC ZINC000032966723 553882743 /nfs/dbraw/zinc/88/27/43/553882743.db2.gz OYHVRAHNVYNARH-UHFFFAOYSA-N 0 0 529.590 2.441 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)Nc1ccc(OC)cc1 ZINC000032967253 553882786 /nfs/dbraw/zinc/88/27/86/553882786.db2.gz ZIFORTDXCJYQNE-UHFFFAOYSA-N 0 0 523.633 2.425 50 0 KEAARN COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 ZINC000032969178 553882949 /nfs/dbraw/zinc/88/29/49/553882949.db2.gz YHTAWLDNQYMTJE-OAQYLSRUSA-N 0 0 526.453 2.316 50 0 KEAARN COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1 ZINC000032969180 553882894 /nfs/dbraw/zinc/88/28/94/553882894.db2.gz YHTAWLDNQYMTJE-NRFANRHFSA-N 0 0 526.453 2.316 50 0 KEAARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000032970873 553882941 /nfs/dbraw/zinc/88/29/41/553882941.db2.gz MWHYVQZWSHKMJU-JOCHJYFZSA-N 0 0 512.003 2.303 50 0 KEAARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000032970874 553882936 /nfs/dbraw/zinc/88/29/36/553882936.db2.gz MWHYVQZWSHKMJU-QFIPXVFZSA-N 0 0 512.003 2.303 50 0 KEAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCC1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000032971798 553882931 /nfs/dbraw/zinc/88/29/31/553882931.db2.gz DIEOIYTWXHZXHB-UHFFFAOYSA-N 0 0 517.405 2.252 50 0 KEAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000032971878 553882959 /nfs/dbraw/zinc/88/29/59/553882959.db2.gz FNOBRWMVJZZNAW-UHFFFAOYSA-N 0 0 523.453 2.404 50 0 KEAARN CCOc1ccc(C=CC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC ZINC000032971919 553882950 /nfs/dbraw/zinc/88/29/50/553882950.db2.gz AWQFYWHUTQUNFC-ZRDIBKRKSA-N 0 0 529.638 2.343 50 0 KEAARN Cc1cccc(CSCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 ZINC000032971923 553882975 /nfs/dbraw/zinc/88/29/75/553882975.db2.gz PMBWYBXEVCBIGA-UHFFFAOYSA-N 0 0 503.669 2.464 50 0 KEAARN Cc1ccc(Cl)c(OCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 ZINC000032971925 553883296 /nfs/dbraw/zinc/88/32/96/553883296.db2.gz REMFTYOPWHFTCU-UHFFFAOYSA-N 0 0 508.019 2.263 50 0 KEAARN CC(C)CN(C(=O)CN(C)C(=O)COc1ccccc1C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971949 553883268 /nfs/dbraw/zinc/88/32/68/553883268.db2.gz JPEFPQHCQJRUJB-UHFFFAOYSA-N 0 0 501.628 2.425 50 0 KEAARN CCCOc1ccccc1OCC(=O)N(C)CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971967 553883289 /nfs/dbraw/zinc/88/32/89/553883289.db2.gz JDXHNMLKMPLGLA-UHFFFAOYSA-N 0 0 517.627 2.090 50 0 KEAARN Cc1ccc(CSCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032971979 553883271 /nfs/dbraw/zinc/88/32/71/553883271.db2.gz ZKNZDKATKGMQES-UHFFFAOYSA-N 0 0 503.669 2.464 50 0 KEAARN CCOc1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032971983 553883286 /nfs/dbraw/zinc/88/32/86/553883286.db2.gz PMTXEQNTRKUTQT-UHFFFAOYSA-N 0 0 531.654 2.480 50 0 KEAARN CC(=O)c1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032971985 553883313 /nfs/dbraw/zinc/88/33/13/553883313.db2.gz BVGASFJTPDVFSP-UHFFFAOYSA-N 0 0 529.638 2.284 50 0 KEAARN COc1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032971991 553883281 /nfs/dbraw/zinc/88/32/81/553883281.db2.gz SKQXPUXOZQRASZ-UHFFFAOYSA-N 0 0 517.627 2.090 50 0 KEAARN Cc1ccc(OCCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032971993 553883305 /nfs/dbraw/zinc/88/33/05/553883305.db2.gz QNSQHYGVQPFGKF-UHFFFAOYSA-N 0 0 501.628 2.390 50 0 KEAARN CC(C)CN(C(=O)CN(C)C(=O)c1ccc(Br)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032971995 553883436 /nfs/dbraw/zinc/88/34/36/553883436.db2.gz DRFFGJLAWMLSKJ-UHFFFAOYSA-N 0 0 514.446 2.360 50 0 KEAARN CC(C)CN(C(=O)CN(C)C(=O)Cc1ccc(Br)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972017 553883418 /nfs/dbraw/zinc/88/34/18/553883418.db2.gz JJQYUPMWFFACGA-UHFFFAOYSA-N 0 0 522.444 2.227 50 0 KEAARN CC(C)CN(C(=O)CN(C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972022 553883406 /nfs/dbraw/zinc/88/34/06/553883406.db2.gz LJSOVUVLGXLJIQ-MRXNPFEDSA-N 0 0 508.019 2.343 50 0 KEAARN CC(C)CN(C(=O)CN(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972024 553883452 /nfs/dbraw/zinc/88/34/52/553883452.db2.gz LJSOVUVLGXLJIQ-INIZCTEOSA-N 0 0 508.019 2.343 50 0 KEAARN CC(C)CN(C(=O)CN(C)C(=O)COc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032972028 553883498 /nfs/dbraw/zinc/88/34/98/553883498.db2.gz HQFOIDKTFLRPOQ-UHFFFAOYSA-N 0 0 527.544 2.320 50 0 KEAARN CCOc1ccc(OCCC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 ZINC000032972041 553883399 /nfs/dbraw/zinc/88/33/99/553883399.db2.gz IRODMQDHVMJWIS-UHFFFAOYSA-N 0 0 517.627 2.090 50 0 KEAARN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)N1CCN(C(=O)c2ccco2)CC1 ZINC000032977784 553884490 /nfs/dbraw/zinc/88/44/90/553884490.db2.gz VDGCLJBNUCZNAU-UHFFFAOYSA-N 0 0 506.946 2.443 50 0 KEAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1=O ZINC000032978479 553884431 /nfs/dbraw/zinc/88/44/31/553884431.db2.gz DLXCGEQEKGWMBO-MHZLTWQESA-N 0 0 507.591 2.156 50 0 KEAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)C1=O ZINC000032978481 553884436 /nfs/dbraw/zinc/88/44/36/553884436.db2.gz DLXCGEQEKGWMBO-HHHXNRCGSA-N 0 0 507.591 2.156 50 0 KEAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)C2=O)cc1 ZINC000032978487 553884471 /nfs/dbraw/zinc/88/44/71/553884471.db2.gz ZQAXFJIJYOYYKZ-HHHXNRCGSA-N 0 0 507.591 2.074 50 0 KEAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)C2=O)cc1 ZINC000032978489 553884428 /nfs/dbraw/zinc/88/44/28/553884428.db2.gz ZQAXFJIJYOYYKZ-MHZLTWQESA-N 0 0 507.591 2.074 50 0 KEAARN COCCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000032981945 553884681 /nfs/dbraw/zinc/88/46/81/553884681.db2.gz KZUMHJZHIAMBNN-UHFFFAOYSA-N 0 0 525.631 2.217 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c(=O)[nH]c1=O ZINC000032988047 553886818 /nfs/dbraw/zinc/88/68/18/553886818.db2.gz YPQWDIWFBHSKBE-UHFFFAOYSA-N 0 0 505.531 2.013 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000032990887 553886770 /nfs/dbraw/zinc/88/67/70/553886770.db2.gz FENQHHXXKDOJKN-IBGZPJMESA-N 0 0 529.638 2.016 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000032990889 553886836 /nfs/dbraw/zinc/88/68/36/553886836.db2.gz FENQHHXXKDOJKN-LJQANCHMSA-N 0 0 529.638 2.016 50 0 KEAARN CCCCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994476 553887315 /nfs/dbraw/zinc/88/73/15/553887315.db2.gz HFJXPSSUOVXWPV-IBGZPJMESA-N 0 0 529.638 2.016 50 0 KEAARN CCCCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000032994478 553887342 /nfs/dbraw/zinc/88/73/42/553887342.db2.gz HFJXPSSUOVXWPV-LJQANCHMSA-N 0 0 529.638 2.016 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000032996097 553887232 /nfs/dbraw/zinc/88/72/32/553887232.db2.gz MVPRZEONOFPCJA-UHFFFAOYSA-N 0 0 507.634 2.055 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C ZINC000032996105 553887565 /nfs/dbraw/zinc/88/75/65/553887565.db2.gz AWZKVCAIQJIOIY-UHFFFAOYSA-N 0 0 521.661 2.364 50 0 KEAARN COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1OCC(=O)N1CCOCC1 ZINC000032999403 553887582 /nfs/dbraw/zinc/88/75/82/553887582.db2.gz XYKQHSMJNQRAOS-UHFFFAOYSA-N 0 0 517.604 2.360 50 0 KEAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032999617 553887750 /nfs/dbraw/zinc/88/77/50/553887750.db2.gz BISNBAURIMOYBW-UHFFFAOYSA-N 0 0 511.547 2.024 50 0 KEAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(N)=O)ccc2N2CCOCC2)cc1 ZINC000032999901 553887680 /nfs/dbraw/zinc/88/76/80/553887680.db2.gz NBCLWKWNAXKWCF-HXUWFJFHSA-N 0 0 519.624 2.354 50 0 KEAARN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CC(C)C)NC(N)=O)ccc2N2CCOCC2)cc1 ZINC000032999902 553887972 /nfs/dbraw/zinc/88/79/72/553887972.db2.gz NBCLWKWNAXKWCF-FQEVSTJZSA-N 0 0 519.624 2.354 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2c1 ZINC000032999991 553888109 /nfs/dbraw/zinc/88/81/09/553888109.db2.gz LXTWSANLDIMDTE-OAQYLSRUSA-N 0 0 518.661 2.423 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2c1 ZINC000032999992 553888092 /nfs/dbraw/zinc/88/80/92/553888092.db2.gz LXTWSANLDIMDTE-NRFANRHFSA-N 0 0 518.661 2.423 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000033002089 553888115 /nfs/dbraw/zinc/88/81/15/553888115.db2.gz VGXXLKYZDWYMAG-UHFFFAOYSA-N 0 0 515.613 2.067 50 0 KEAARN O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1)NCCCN1CCCC1=O ZINC000033024801 553889237 /nfs/dbraw/zinc/88/92/37/553889237.db2.gz AQMFTOTYXNVKAH-UHFFFAOYSA-N 0 0 516.599 2.301 50 0 KEAARN Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NCCCN4CCOCC4)CC3)s2)cc1 ZINC000033024833 553889512 /nfs/dbraw/zinc/88/95/12/553889512.db2.gz WUHJDRRJPOCUJI-UHFFFAOYSA-N 0 0 514.652 2.180 50 0 KEAARN CCN1CCN(C(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(OC)cc4)s3)CC2)CC1 ZINC000033025021 553890107 /nfs/dbraw/zinc/89/01/07/553890107.db2.gz NJWZADMYWDFRKN-UHFFFAOYSA-N 0 0 500.625 2.205 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(c1ccc3c(c1)OCCO3)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033048179 553894413 /nfs/dbraw/zinc/89/44/13/553894413.db2.gz MNNQFIFIDBAPCW-SANMLTNESA-N 0 0 506.515 2.185 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(c1ccc3c(c1)OCCO3)[C@@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033048180 553894403 /nfs/dbraw/zinc/89/44/03/553894403.db2.gz MNNQFIFIDBAPCW-AREMUKBSSA-N 0 0 506.515 2.185 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(NC(C)=O)cc1)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033048181 553894467 /nfs/dbraw/zinc/89/44/67/553894467.db2.gz WFNHWUJFKCYTTB-SANMLTNESA-N 0 0 505.531 2.372 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(c1ccc(NC(C)=O)cc1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033048182 553894496 /nfs/dbraw/zinc/89/44/96/553894496.db2.gz WFNHWUJFKCYTTB-AREMUKBSSA-N 0 0 505.531 2.372 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(Cc1cc(OC)ccc1OC)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033048185 553894720 /nfs/dbraw/zinc/89/47/20/553894720.db2.gz LPFAQCVVQNQZCB-MHZLTWQESA-N 0 0 522.558 2.427 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(Cc1cc(OC)ccc1OC)[C@@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000033048186 553894746 /nfs/dbraw/zinc/89/47/46/553894746.db2.gz LPFAQCVVQNQZCB-HHHXNRCGSA-N 0 0 522.558 2.427 50 0 KEAARN Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000033058808 553903870 /nfs/dbraw/zinc/90/38/70/553903870.db2.gz SYULAVZFYUHDCZ-BQYQJAHWSA-N 0 0 502.637 2.311 50 0 KEAARN Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000033058923 553904391 /nfs/dbraw/zinc/90/43/91/553904391.db2.gz QLJDDFLZZDSISA-VOTSOKGWSA-N 0 0 506.600 2.142 50 0 KEAARN Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 ZINC000033059063 553905167 /nfs/dbraw/zinc/90/51/67/553905167.db2.gz OQVWOAHFCLPYQP-HWKANZROSA-N 0 0 524.590 2.281 50 0 KEAARN CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)ccc21 ZINC000033077504 553906384 /nfs/dbraw/zinc/90/63/84/553906384.db2.gz ITFOECXDTQIDFB-UHFFFAOYSA-N 0 0 511.648 2.130 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)C1 ZINC000033077506 553906363 /nfs/dbraw/zinc/90/63/63/553906363.db2.gz BOEODKHSUKZSCA-OAQYLSRUSA-N 0 0 505.637 2.188 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)C1 ZINC000033077507 553906730 /nfs/dbraw/zinc/90/67/30/553906730.db2.gz BOEODKHSUKZSCA-NRFANRHFSA-N 0 0 505.637 2.188 50 0 KEAARN Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000033086176 553910171 /nfs/dbraw/zinc/91/01/71/553910171.db2.gz XALWRGNUWRWEKD-JOCHJYFZSA-N 0 0 515.680 2.400 50 0 KEAARN Cc1nn(CC(=O)NC(C)(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000033086177 553910263 /nfs/dbraw/zinc/91/02/63/553910263.db2.gz XALWRGNUWRWEKD-QFIPXVFZSA-N 0 0 515.680 2.400 50 0 KEAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000033086196 553910223 /nfs/dbraw/zinc/91/02/23/553910223.db2.gz YPWPYDLNTSLDHL-QGZVFWFLSA-N 0 0 509.579 2.440 50 0 KEAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000033086197 553910212 /nfs/dbraw/zinc/91/02/12/553910212.db2.gz YPWPYDLNTSLDHL-KRWDZBQOSA-N 0 0 509.579 2.440 50 0 KEAARN O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000033121530 553911147 /nfs/dbraw/zinc/91/11/47/553911147.db2.gz YRFPXLBHXPRZSJ-UHFFFAOYSA-N 0 0 510.613 2.217 50 0 KEAARN O=C(CCc1ccccc1)N1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000033121533 553911164 /nfs/dbraw/zinc/91/11/64/553911164.db2.gz ZZYIAVZNPPYTAU-UHFFFAOYSA-N 0 0 506.650 2.468 50 0 KEAARN Cc1nn(CCCC(=O)NCCCN2CCOCC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033261380 553915836 /nfs/dbraw/zinc/91/58/36/553915836.db2.gz QPJFFGNCQIJGPU-UHFFFAOYSA-N 0 0 503.607 2.300 50 0 KEAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)ccc2-3)CC1 ZINC000033353142 553923494 /nfs/dbraw/zinc/92/34/94/553923494.db2.gz NTAXSODFZKGOLN-UHFFFAOYSA-N 0 0 664.718 2.377 50 0 KEAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)NC1CC1 ZINC000033353851 553927243 /nfs/dbraw/zinc/92/72/43/553927243.db2.gz FHMLLRXGUVMKMO-UHFFFAOYSA-N 0 0 528.664 2.269 50 0 KEAARN O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)NN3C(=O)c4ccccc4C3=O)c1)C2=O ZINC000033353988 553927848 /nfs/dbraw/zinc/92/78/48/553927848.db2.gz RJUMWYWIEDVSIY-UHFFFAOYSA-N 0 0 599.515 2.369 50 0 KEAARN COc1cc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)ccc1O ZINC000033354191 553928627 /nfs/dbraw/zinc/92/86/27/553928627.db2.gz QEUQPXVRXITPMN-YVVRWKSLSA-N 0 0 527.606 2.333 50 0 KEAARN COc1cc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)ccc1O ZINC000033354196 553928601 /nfs/dbraw/zinc/92/86/01/553928601.db2.gz QEUQPXVRXITPMN-PXOANODHSA-N 0 0 527.606 2.333 50 0 KEAARN COc1cc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)ccc1O ZINC000033354200 553928617 /nfs/dbraw/zinc/92/86/17/553928617.db2.gz QEUQPXVRXITPMN-WPTCVENBSA-N 0 0 527.606 2.333 50 0 KEAARN Cn1c2ncn(Cc3ccccc3)c2c(=O)n(Cc2ccc(Cn3c(=O)c4c(ncn4Cc4ccccc4)n(C)c3=O)cc2)c1=O ZINC000033354648 553930837 /nfs/dbraw/zinc/93/08/37/553930837.db2.gz FIGBEGPSWQHYFP-UHFFFAOYSA-N 0 0 614.666 2.300 50 0 biogenic KEAARN O=C(Oc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000033355349 553934221 /nfs/dbraw/zinc/93/42/21/553934221.db2.gz ZJILHJXQAGRGFQ-UHFFFAOYSA-N 0 0 616.670 2.167 50 0 KEAARN O=C(CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1)Nc1ccc2c(c1)OCCO2 ZINC000033355718 553936455 /nfs/dbraw/zinc/93/64/55/553936455.db2.gz JKYCEJBGLHKAAA-UHFFFAOYSA-N 0 0 526.600 2.147 50 0 KEAARN COc1cc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc(OC)c1OC ZINC000033355761 553936791 /nfs/dbraw/zinc/93/67/91/553936791.db2.gz PFMOFDUQIHUEDD-HHHXNRCGSA-N 0 0 539.564 2.139 50 0 KEAARN COc1cc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc(OC)c1OC ZINC000033355762 553937010 /nfs/dbraw/zinc/93/70/10/553937010.db2.gz PFMOFDUQIHUEDD-MHZLTWQESA-N 0 0 539.564 2.139 50 0 KEAARN CCOC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3c2=O)CC1 ZINC000033356090 553938928 /nfs/dbraw/zinc/93/89/28/553938928.db2.gz LKLYZVVYYAEVON-UHFFFAOYSA-N 0 0 584.670 2.453 50 0 KEAARN CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3C2=O)CC1 ZINC000033356328 553940607 /nfs/dbraw/zinc/94/06/07/553940607.db2.gz SWBZUCFWBJVWTM-UHFFFAOYSA-N 0 0 570.624 2.177 50 0 KEAARN Cc1cc(N)nn1C(=O)Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O ZINC000033356367 553940918 /nfs/dbraw/zinc/94/09/18/553940918.db2.gz YNYUEWUOUJYQBT-UHFFFAOYSA-N 0 0 552.547 2.239 50 0 KEAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccc(F)cc2)s1 ZINC000033356610 553942792 /nfs/dbraw/zinc/94/27/92/553942792.db2.gz NEXBOXWZJIGOHT-UHFFFAOYSA-N 0 0 632.725 2.248 50 0 KEAARN Nc1nc(CNS(=O)(=O)c2ccc(Br)cc2)nn1S(=O)(=O)c1ccc(Br)cc1 ZINC000033356783 553944411 /nfs/dbraw/zinc/94/44/11/553944411.db2.gz HTBJIHRLZOQQGU-UHFFFAOYSA-N 0 0 551.242 2.101 50 0 KEAARN COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1OC ZINC000033356865 553945119 /nfs/dbraw/zinc/94/51/19/553945119.db2.gz GWCXYTXLDUYJKB-MUAVYFROSA-N 0 0 622.700 2.351 50 0 KEAARN COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)cc1OC ZINC000033356867 553945039 /nfs/dbraw/zinc/94/50/39/553945039.db2.gz GWCXYTXLDUYJKB-IADCTJSHSA-N 0 0 622.700 2.351 50 0 KEAARN COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1OC ZINC000033356869 553945081 /nfs/dbraw/zinc/94/50/81/553945081.db2.gz GWCXYTXLDUYJKB-RNWIMVQKSA-N 0 0 622.700 2.351 50 0 KEAARN COc1ccc(CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)cc1OC ZINC000033356871 553945148 /nfs/dbraw/zinc/94/51/48/553945148.db2.gz GWCXYTXLDUYJKB-BTYSJIOQSA-N 0 0 622.700 2.351 50 0 KEAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CCN(c5ccccn5)CC4)c(=O)c32)CC1 ZINC000033357198 553947118 /nfs/dbraw/zinc/94/71/18/553947118.db2.gz VAPRZFAOHXKKDE-UHFFFAOYSA-N 0 0 623.761 2.030 50 0 KEAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21 ZINC000033357226 553947394 /nfs/dbraw/zinc/94/73/94/553947394.db2.gz YDZIAXSFQJPTFY-UHFFFAOYSA-N 0 0 541.649 2.394 50 0 KEAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2=O)CCC4)cc1C ZINC000033357488 553948544 /nfs/dbraw/zinc/94/85/44/553948544.db2.gz UIJVARSTJYEDSU-UHFFFAOYSA-N 0 0 552.678 2.326 50 0 KEAARN CCOC(=O)c1cn(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O ZINC000033357590 553949387 /nfs/dbraw/zinc/94/93/87/553949387.db2.gz USRGEVLQMUTZGM-UHFFFAOYSA-N 0 0 602.597 2.156 50 0 KEAARN COc1ccc2nc(NC(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5CCN(c6ncccn6)CC5)c4c3=O)sc2c1 ZINC000033357703 553950318 /nfs/dbraw/zinc/95/03/18/553950318.db2.gz SJIPZLSMWJAFCY-UHFFFAOYSA-N 0 0 612.719 2.324 50 0 KEAARN Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033357709 553950381 /nfs/dbraw/zinc/95/03/81/553950381.db2.gz SWIHYLJUSIQWFQ-ZHALLVOQSA-N 0 0 559.718 2.008 50 0 KEAARN Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033357710 553950367 /nfs/dbraw/zinc/95/03/67/553950367.db2.gz SWIHYLJUSIQWFQ-YQVWRLOYSA-N 0 0 559.718 2.008 50 0 KEAARN Cc1cccc2nc(Cn3c4ccsc4c(=O)n(CCC(=O)NCc4ccc5c(c4)OCO5)c3=O)cc(=O)n12 ZINC000033357750 553950618 /nfs/dbraw/zinc/95/06/18/553950618.db2.gz ZOJICJHPJKMBMV-UHFFFAOYSA-N 0 0 545.577 2.025 50 0 KEAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000033357751 553950720 /nfs/dbraw/zinc/95/07/20/553950720.db2.gz HCXRXJJLIQFFBS-UHFFFAOYSA-N 0 0 578.603 2.475 50 0 KEAARN Cc1cccc2nc(Cn3c4ccsc4c(=O)n(CCCC(=O)NCc4ccc5c(c4)OCO5)c3=O)cc(=O)n12 ZINC000033357752 553950698 /nfs/dbraw/zinc/95/06/98/553950698.db2.gz CRXFXAUYIYZJDC-UHFFFAOYSA-N 0 0 559.604 2.415 50 0 KEAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1 ZINC000033357760 553950705 /nfs/dbraw/zinc/95/07/05/553950705.db2.gz LYVKBEVHZHVSKB-UHFFFAOYSA-N 0 0 556.666 2.236 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000033357796 553950947 /nfs/dbraw/zinc/95/09/47/553950947.db2.gz CWCANHLNYOXNDU-QHCPKHFHSA-N 0 0 608.702 2.074 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccco4)C(=O)N32)cc1 ZINC000033357797 553950960 /nfs/dbraw/zinc/95/09/60/553950960.db2.gz CWCANHLNYOXNDU-HSZRJFAPSA-N 0 0 608.702 2.074 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000033357819 553951112 /nfs/dbraw/zinc/95/11/12/553951112.db2.gz AGFDVNLWXWDCSI-UHFFFAOYSA-N 0 0 634.784 2.234 50 0 KEAARN CCOC(=O)N1CCC(n2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccsc3c2=O)CC1 ZINC000033357953 553952219 /nfs/dbraw/zinc/95/22/19/553952219.db2.gz PHVKCSTVJTXXDP-UHFFFAOYSA-N 0 0 579.726 2.350 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)COc2ccccc2Br)cc1 ZINC000033357957 553952209 /nfs/dbraw/zinc/95/22/09/553952209.db2.gz UCXGLNYHMGFUDA-UHFFFAOYSA-N 0 0 652.574 2.468 50 0 KEAARN Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n[nH]1 ZINC000033357961 553952193 /nfs/dbraw/zinc/95/21/93/553952193.db2.gz VOICMSFVLZOUEL-UHFFFAOYSA-N 0 0 589.725 2.007 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N4CCN(c5ccc(F)cc5)CC4)cc3c2O)CC1 ZINC000033358210 553953619 /nfs/dbraw/zinc/95/36/19/553953619.db2.gz DWTWEGCGYLAFCB-UHFFFAOYSA-N 0 0 571.631 2.092 50 0 KEAARN O=C(/C=C\c1ccc2c(c1)OCO2)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000033396638 1066357818 /nfs/dbraw/zinc/35/78/18/1066357818.db2.gz IURYSIZTKIIZQF-KXFIGUGUSA-N 0 0 508.936 2.285 50 0 KEAARN O=C(Nc1snnc1C(=O)N1CCN(Cc2ccccc2)CC1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033436077 553960213 /nfs/dbraw/zinc/96/02/13/553960213.db2.gz ZPEDEUNZHISLJT-UXHICEINSA-N 0 0 519.631 2.309 50 0 KEAARN COc1cc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)ccc1OCC(=O)N1CCOCC1 ZINC000033445912 553960520 /nfs/dbraw/zinc/96/05/20/553960520.db2.gz DCZCUKUYUURDLE-PXLXIMEGSA-N 0 0 525.583 2.399 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)N1CCc2ccccc2C1 ZINC000033454425 553960791 /nfs/dbraw/zinc/96/07/91/553960791.db2.gz UPDFNIWNQCYUHG-UHFFFAOYSA-N 0 0 507.550 2.194 50 0 KEAARN COc1ccc(/C=C\C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000033457895 1066357785 /nfs/dbraw/zinc/35/77/85/1066357785.db2.gz JRRGOHCKTSHEDP-MMQQXXMXSA-N 0 0 514.600 2.466 50 0 KEAARN COc1ccc(/C=C\C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000033457897 1066357989 /nfs/dbraw/zinc/35/79/89/1066357989.db2.gz JRRGOHCKTSHEDP-HLXJENQHSA-N 0 0 514.600 2.466 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000033480981 1066357880 /nfs/dbraw/zinc/35/78/80/1066357880.db2.gz IQJVZDKQGQOVEY-FPLPWBNLSA-N 0 0 512.485 2.030 50 0 KEAARN C[C@@H](OC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000033489884 1066357929 /nfs/dbraw/zinc/35/79/29/1066357929.db2.gz XXSWJVNFPOWIDS-SMEINOAPSA-N 0 0 529.615 2.128 50 0 KEAARN C[C@H](OC(=O)/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000033489886 1066357859 /nfs/dbraw/zinc/35/78/59/1066357859.db2.gz XXSWJVNFPOWIDS-VHLMXJOBSA-N 0 0 529.615 2.128 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000033533647 1066358052 /nfs/dbraw/zinc/35/80/52/1066358052.db2.gz NIPKICCDOIUSJZ-RAXLEYEMSA-N 0 0 507.634 2.390 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000033534898 1066357746 /nfs/dbraw/zinc/35/77/46/1066357746.db2.gz IJBFCVDXLSMOLW-AUWJEWJLSA-N 0 0 507.634 2.390 50 0 KEAARN CCOC(=O)N1CCN(C(=O)Cc2csc(NC(=O)CN(C(=O)c3ccc(OC)cc3)C(C)C)n2)CC1 ZINC000033615301 553964290 /nfs/dbraw/zinc/96/42/90/553964290.db2.gz VDHBHPRGCLTEEQ-UHFFFAOYSA-N 0 0 531.635 2.484 50 0 KEAARN CS(=O)(=O)c1ccc2nc(NC(=O)/C=C\c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1 ZINC000033657192 1066357903 /nfs/dbraw/zinc/35/79/03/1066357903.db2.gz FEQUEEPZVQLQHE-WTKPLQERSA-N 0 0 507.615 2.373 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)N(S(=O)(=O)c3cc(OC)ccc3OC)C[C@H]2C)c1 ZINC000033689972 553968278 /nfs/dbraw/zinc/96/82/78/553968278.db2.gz FBNLGSOYWBEMMP-HZPDHXFCSA-N 0 0 514.622 2.193 50 0 KEAARN COc1ccc(OC)c(/C=C\C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000033690202 1066357839 /nfs/dbraw/zinc/35/78/39/1066357839.db2.gz ARVFMBXRQWEPKF-OSCZDJLXSA-N 0 0 504.561 2.308 50 0 KEAARN COc1ccc(OC)c(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000033690204 1066358005 /nfs/dbraw/zinc/35/80/05/1066358005.db2.gz ARVFMBXRQWEPKF-IAQFLPNQSA-N 0 0 504.561 2.308 50 0 KEAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccc(N2CCOCC2)cc1 ZINC000033708332 1066357803 /nfs/dbraw/zinc/35/78/03/1066357803.db2.gz UOBPZFOFEWZPQK-KMKOMSMNSA-N 0 0 516.645 2.071 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)/C=C\c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000033774718 1066358019 /nfs/dbraw/zinc/35/80/19/1066358019.db2.gz NQUBDNMASGKDMC-ZROIWOOFSA-N 0 0 511.625 2.458 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000034138680 553980819 /nfs/dbraw/zinc/98/08/19/553980819.db2.gz USZNBXYLNBUEFW-KRWDZBQOSA-N 0 0 501.634 2.319 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(NC[C@H]3CCCO3)n2)cc1 ZINC000034138681 553980888 /nfs/dbraw/zinc/98/08/88/553980888.db2.gz USZNBXYLNBUEFW-QGZVFWFLSA-N 0 0 501.634 2.319 50 0 KEAARN COc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@H](O)c5ccccc5)CC4)n3)CC2)c1 ZINC000034677744 553983739 /nfs/dbraw/zinc/98/37/39/553983739.db2.gz KKBGYROYRIWQNQ-SANMLTNESA-N 0 0 505.619 2.497 50 0 KEAARN COc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@@H](O)c5ccccc5)CC4)n3)CC2)c1 ZINC000034677745 553983710 /nfs/dbraw/zinc/98/37/10/553983710.db2.gz KKBGYROYRIWQNQ-AREMUKBSSA-N 0 0 505.619 2.497 50 0 KEAARN Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)COCC(C)C)CC3)n2)CC1 ZINC000034677770 553983648 /nfs/dbraw/zinc/98/36/48/553983648.db2.gz NYHMQUSHJDZZQS-DEOSSOPVSA-N 0 0 513.683 2.405 50 0 KEAARN Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)COCC(C)C)CC3)n2)CC1 ZINC000034677771 553983597 /nfs/dbraw/zinc/98/35/97/553983597.db2.gz NYHMQUSHJDZZQS-XMMPIXPASA-N 0 0 513.683 2.405 50 0 KEAARN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)COCC(C)C)CC3)n2)CC1 ZINC000034677792 553983571 /nfs/dbraw/zinc/98/35/71/553983571.db2.gz OSUIZEHCPJBEPJ-DEOSSOPVSA-N 0 0 513.683 2.351 50 0 KEAARN CCc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)COCC(C)C)CC3)n2)CC1 ZINC000034677793 553983633 /nfs/dbraw/zinc/98/36/33/553983633.db2.gz OSUIZEHCPJBEPJ-XMMPIXPASA-N 0 0 513.683 2.351 50 0 KEAARN CCCC(=O)OC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677800 553983727 /nfs/dbraw/zinc/98/37/27/553983727.db2.gz LJSZIJPBLDCINF-HSZRJFAPSA-N 0 0 527.666 2.021 50 0 KEAARN CCCC(=O)OC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1 ZINC000034677801 553983541 /nfs/dbraw/zinc/98/35/41/553983541.db2.gz LJSZIJPBLDCINF-QHCPKHFHSA-N 0 0 527.666 2.021 50 0 KEAARN COc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@H](O)c4ccccc4)CC3)n2)CC1 ZINC000034678429 553984021 /nfs/dbraw/zinc/98/40/21/553984021.db2.gz MKNXHPCFENHGHY-VWLOTQADSA-N 0 0 505.619 2.497 50 0 KEAARN COc1ccccc1N1CCN(C(=O)c2coc(CN3CCN(C[C@@H](O)c4ccccc4)CC3)n2)CC1 ZINC000034678430 553983932 /nfs/dbraw/zinc/98/39/32/553983932.db2.gz MKNXHPCFENHGHY-RUZDIDTESA-N 0 0 505.619 2.497 50 0 KEAARN COCCN(CCC(=O)NCc1cccnc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000034678946 553983926 /nfs/dbraw/zinc/98/39/26/553983926.db2.gz UCBHROWBPTVQMO-UHFFFAOYSA-N 0 0 504.591 2.119 50 0 KEAARN COCCN(CCC(=O)NCc1ccncc1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000034678985 553983880 /nfs/dbraw/zinc/98/38/80/553983880.db2.gz UCZIXDDMLAEWSC-UHFFFAOYSA-N 0 0 504.591 2.119 50 0 KEAARN COCCN(CCC(=O)NCCc1ccccn1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000034678986 553983954 /nfs/dbraw/zinc/98/39/54/553983954.db2.gz CHCLXIATUIWHML-UHFFFAOYSA-N 0 0 518.618 2.162 50 0 KEAARN COc1ccc(C(=O)N2CCN(C[C@@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)c(OC)c1 ZINC000034686059 553988166 /nfs/dbraw/zinc/98/81/66/553988166.db2.gz NRIPDCHCCAPWTJ-JOCHJYFZSA-N 0 0 518.010 2.421 50 0 KEAARN COc1ccc(C(=O)N2CCN(C[C@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)c(OC)c1 ZINC000034686060 553988158 /nfs/dbraw/zinc/98/81/58/553988158.db2.gz NRIPDCHCCAPWTJ-QFIPXVFZSA-N 0 0 518.010 2.421 50 0 KEAARN COc1ccc(C(=O)N2CCO[C@H](CN3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)C2)cc1 ZINC000034686087 553988100 /nfs/dbraw/zinc/98/81/00/553988100.db2.gz OQSLZAWIDMCRLA-JOCHJYFZSA-N 0 0 513.591 2.020 50 0 KEAARN COc1ccc(C(=O)N2CCO[C@@H](CN3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)C2)cc1 ZINC000034686088 553988116 /nfs/dbraw/zinc/98/81/16/553988116.db2.gz OQSLZAWIDMCRLA-QFIPXVFZSA-N 0 0 513.591 2.020 50 0 KEAARN COc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC ZINC000034686089 553988150 /nfs/dbraw/zinc/98/81/50/553988150.db2.gz JZIHGNAIORJNDK-OAQYLSRUSA-N 0 0 501.555 2.151 50 0 KEAARN COc1cc(C(=O)N2CCN(C[C@H]3CN(C(=O)c4cccc(F)c4)CCO3)CC2)cc(OC)c1OC ZINC000034686090 553987987 /nfs/dbraw/zinc/98/79/87/553987987.db2.gz JZIHGNAIORJNDK-NRFANRHFSA-N 0 0 501.555 2.151 50 0 KEAARN COc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)cc(OC)c1OC ZINC000034686097 553988123 /nfs/dbraw/zinc/98/81/23/553988123.db2.gz LFXSOFLVCFNVAP-LJQANCHMSA-N 0 0 519.545 2.290 50 0 KEAARN COc1cc(C(=O)N2CCN(C[C@H]3CN(C(=O)c4ccc(F)cc4F)CCO3)CC2)cc(OC)c1OC ZINC000034686098 553988025 /nfs/dbraw/zinc/98/80/25/553988025.db2.gz LFXSOFLVCFNVAP-IBGZPJMESA-N 0 0 519.545 2.290 50 0 KEAARN COc1cccc(OC)c1C(=O)N1CCN(C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)CC1 ZINC000034686105 553988058 /nfs/dbraw/zinc/98/80/58/553988058.db2.gz PJGRIVVURFFZQX-OAQYLSRUSA-N 0 0 518.010 2.421 50 0 KEAARN COc1cccc(OC)c1C(=O)N1CCN(C[C@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)CC1 ZINC000034686106 553988010 /nfs/dbraw/zinc/98/80/10/553988010.db2.gz PJGRIVVURFFZQX-NRFANRHFSA-N 0 0 518.010 2.421 50 0 KEAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@H](CN(CCN2CCOCC2)C(=O)c2ccccc2)C1 ZINC000034686185 553988140 /nfs/dbraw/zinc/98/81/40/553988140.db2.gz PKMVEYRYYSDUGO-DEOSSOPVSA-N 0 0 502.011 2.421 50 0 KEAARN O=C(COc1ccc(Cl)cc1)N1CCO[C@@H](CN(CCN2CCOCC2)C(=O)c2ccccc2)C1 ZINC000034686186 553988130 /nfs/dbraw/zinc/98/81/30/553988130.db2.gz PKMVEYRYYSDUGO-XMMPIXPASA-N 0 0 502.011 2.421 50 0 KEAARN COc1ccc(C(=O)N2CCO[C@H](CN(CCN3CCOCC3)C(=O)c3ccccc3F)C2)cc1OC ZINC000034686223 553988348 /nfs/dbraw/zinc/98/83/48/553988348.db2.gz XVLWXQJOFWQBHH-OAQYLSRUSA-N 0 0 515.582 2.159 50 0 KEAARN COc1ccc(C(=O)N2CCO[C@@H](CN(CCN3CCOCC3)C(=O)c3ccccc3F)C2)cc1OC ZINC000034686224 553988492 /nfs/dbraw/zinc/98/84/92/553988492.db2.gz XVLWXQJOFWQBHH-NRFANRHFSA-N 0 0 515.582 2.159 50 0 KEAARN COc1cccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)c1 ZINC000034686281 553988428 /nfs/dbraw/zinc/98/84/28/553988428.db2.gz UVYBMAYLGVLRSM-JOCHJYFZSA-N 0 0 503.546 2.289 50 0 KEAARN COc1cccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)c3ccc(F)cc3F)CCO2)c1 ZINC000034686282 553988398 /nfs/dbraw/zinc/98/83/98/553988398.db2.gz UVYBMAYLGVLRSM-QFIPXVFZSA-N 0 0 503.546 2.289 50 0 KEAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)cc1 ZINC000034691631 553989747 /nfs/dbraw/zinc/98/97/47/553989747.db2.gz MPFFYFPJMOEVQO-NSOVKSMOSA-N 0 0 511.663 2.048 50 0 KEAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@H](O)COCc3ccccc3)CCO2)cc1 ZINC000034691632 553989652 /nfs/dbraw/zinc/98/96/52/553989652.db2.gz MPFFYFPJMOEVQO-WUFINQPMSA-N 0 0 511.663 2.048 50 0 KEAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000034691643 553989758 /nfs/dbraw/zinc/98/97/58/553989758.db2.gz QQQPRALHFIAQOB-BDYUSTAISA-N 0 0 515.626 2.049 50 0 KEAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000034691644 553989677 /nfs/dbraw/zinc/98/96/77/553989677.db2.gz QQQPRALHFIAQOB-AHKZPQOWSA-N 0 0 515.626 2.049 50 0 KEAARN COc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)Nc3ccccc3)CCO2)cc1OC ZINC000034692273 553990455 /nfs/dbraw/zinc/99/04/55/553990455.db2.gz CCLGTITYDBHNMX-HSZRJFAPSA-N 0 0 512.607 2.411 50 0 KEAARN COc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)Nc3ccccc3)CCO2)cc1OC ZINC000034692274 553990485 /nfs/dbraw/zinc/99/04/85/553990485.db2.gz CCLGTITYDBHNMX-QHCPKHFHSA-N 0 0 512.607 2.411 50 0 KEAARN COc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2CN(C(=O)NCc3ccccc3)CCO2)cc1OC ZINC000034692277 553990424 /nfs/dbraw/zinc/99/04/24/553990424.db2.gz GMGPZWLOYBQKJN-XMMPIXPASA-N 0 0 526.634 2.089 50 0 KEAARN COc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C(=O)NCc3ccccc3)CCO2)cc1OC ZINC000034692278 553990345 /nfs/dbraw/zinc/99/03/45/553990345.db2.gz GMGPZWLOYBQKJN-DEOSSOPVSA-N 0 0 526.634 2.089 50 0 KEAARN COc1cccc(CC(=O)N2CCC(NC(=O)c3nccnc3NC(=O)c3ccc4c(c3)OCO4)CC2)c1 ZINC000034716894 553995598 /nfs/dbraw/zinc/99/55/98/553995598.db2.gz DSCPFDKMJVSTLC-UHFFFAOYSA-N 0 0 517.542 2.430 50 0 KEAARN Cc1ccc(C(=O)NCCN2CCOCC2)c(C2CCN(S(=O)(=O)c3ccc(C)c(F)c3)CC2)n1 ZINC000034729780 553997368 /nfs/dbraw/zinc/99/73/68/553997368.db2.gz GUCMHIBAFLKJHA-UHFFFAOYSA-N 0 0 504.628 2.468 50 0 KEAARN CCOc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccc(F)cc2)NC(=O)N3C)CC1 ZINC000034792083 554007618 /nfs/dbraw/zinc/00/76/18/554007618.db2.gz GVDLOQRBGAZLEK-VWLOTQADSA-N 0 0 507.566 2.366 50 0 KEAARN CCOc1ccccc1N1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(F)cc2)NC(=O)N3C)CC1 ZINC000034792084 554007784 /nfs/dbraw/zinc/00/77/84/554007784.db2.gz GVDLOQRBGAZLEK-RUZDIDTESA-N 0 0 507.566 2.366 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3C)C1 ZINC000034792115 554007757 /nfs/dbraw/zinc/00/77/57/554007757.db2.gz AOEOELKRJDOQQS-VLIAUNLRSA-N 0 0 508.497 2.300 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC3=C(C2=O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N3C)C1 ZINC000034792116 554007754 /nfs/dbraw/zinc/00/77/54/554007754.db2.gz AOEOELKRJDOQQS-XOBRGWDASA-N 0 0 508.497 2.300 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3C)C1 ZINC000034792117 554007806 /nfs/dbraw/zinc/00/78/06/554007806.db2.gz AOEOELKRJDOQQS-JLTOFOAXSA-N 0 0 508.497 2.300 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N3C)C1 ZINC000034792118 554007780 /nfs/dbraw/zinc/00/77/80/554007780.db2.gz AOEOELKRJDOQQS-VBKZILBWSA-N 0 0 508.497 2.300 50 0 KEAARN CN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034792156 554007768 /nfs/dbraw/zinc/00/77/68/554007768.db2.gz BMENLDQTOKMNHJ-QFIPXVFZSA-N 0 0 514.508 2.242 50 0 KEAARN CN1C2=C(C(=O)N(CC(=O)N3CCN(c4ccccn4)CC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000034792157 554007817 /nfs/dbraw/zinc/00/78/17/554007817.db2.gz BMENLDQTOKMNHJ-JOCHJYFZSA-N 0 0 514.508 2.242 50 0 KEAARN COc1ccccc1[C@@H]1NC(=O)N(C)C2=C1C(=O)N(CCC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000034793264 554008295 /nfs/dbraw/zinc/00/82/95/554008295.db2.gz MURPOMZVFGHRFY-VWLOTQADSA-N 0 0 507.566 2.366 50 0 KEAARN COc1ccccc1[C@H]1NC(=O)N(C)C2=C1C(=O)N(CCC(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000034793266 554008347 /nfs/dbraw/zinc/00/83/47/554008347.db2.gz MURPOMZVFGHRFY-RUZDIDTESA-N 0 0 507.566 2.366 50 0 KEAARN CCN1C2=C(C(=O)N(CC(=O)NCCCN3CCCC3=O)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793372 554008567 /nfs/dbraw/zinc/00/85/67/554008567.db2.gz WMJUTMBAOHWXPY-NRFANRHFSA-N 0 0 508.406 2.305 50 0 KEAARN CCN1C2=C(C(=O)N(CC(=O)NCCCN3CCCC3=O)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793374 554008573 /nfs/dbraw/zinc/00/85/73/554008573.db2.gz WMJUTMBAOHWXPY-OAQYLSRUSA-N 0 0 508.406 2.305 50 0 KEAARN CCN1C2=C(C(=O)N(CCC(=O)N3CCN(CCOC)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793496 554008543 /nfs/dbraw/zinc/00/85/43/554008543.db2.gz DEYAAQRCJCIXIT-QFIPXVFZSA-N 0 0 524.449 2.357 50 0 KEAARN CCN1C2=C(C(=O)N(CCC(=O)N3CCN(CCOC)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793498 554008634 /nfs/dbraw/zinc/00/86/34/554008634.db2.gz DEYAAQRCJCIXIT-JOCHJYFZSA-N 0 0 524.449 2.357 50 0 KEAARN O=C(c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21)N1CCN(CCN2CCOCC2)CC1 ZINC000034837602 554020690 /nfs/dbraw/zinc/02/06/90/554020690.db2.gz KRYVQMUWTWGIRZ-UHFFFAOYSA-N 0 0 533.652 2.186 50 0 KEAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O ZINC000034854022 554021486 /nfs/dbraw/zinc/02/14/86/554021486.db2.gz NEYPWXJUPOGDTA-NRFANRHFSA-N 0 0 517.579 2.125 50 0 KEAARN O=C(c1ccc(F)cc1)N1CCCC[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O ZINC000034854025 554021483 /nfs/dbraw/zinc/02/14/83/554021483.db2.gz NEYPWXJUPOGDTA-OAQYLSRUSA-N 0 0 517.579 2.125 50 0 KEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000034873217 554022838 /nfs/dbraw/zinc/02/28/38/554022838.db2.gz TXNONSGNBHFNET-WMZHIEFXSA-N 0 0 503.602 2.447 50 0 KEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 ZINC000034873220 554022894 /nfs/dbraw/zinc/02/28/94/554022894.db2.gz TXNONSGNBHFNET-AUSIDOKSSA-N 0 0 503.602 2.447 50 0 KEAARN COc1ccc(/C=C\C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 ZINC000034890547 1066417242 /nfs/dbraw/zinc/41/72/42/1066417242.db2.gz QCTZNDNGUWDXPQ-HYXAFXHYSA-N 0 0 518.632 2.358 50 0 KEAARN COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000034897071 554024025 /nfs/dbraw/zinc/02/40/25/554024025.db2.gz SLVGCDNIHLAFIN-UHFFFAOYSA-N 0 0 503.499 2.344 50 0 KEAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(C(=O)COC)CC1)S(=O)(=O)c1ccccc1 ZINC000034909675 554027988 /nfs/dbraw/zinc/02/79/88/554027988.db2.gz YXPGDJSELXSTDF-UHFFFAOYSA-N 0 0 531.675 2.298 50 0 KEAARN CCCS(=O)(=O)N(CC(=O)N(Cc1ccccc1)C1CCN(C(=O)NCC(=O)OCC)CC1)CC(C)C ZINC000034909840 554028441 /nfs/dbraw/zinc/02/84/41/554028441.db2.gz JUHWBTCFECWRQD-UHFFFAOYSA-N 0 0 538.711 2.450 50 0 KEAARN CCOC(=O)CNC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1 ZINC000034909937 554028687 /nfs/dbraw/zinc/02/86/87/554028687.db2.gz VUNNSUHLNHBMHV-UHFFFAOYSA-N 0 0 538.711 2.368 50 0 KEAARN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(=O)(=O)CC)CC1)CC(C)C ZINC000034909944 554028653 /nfs/dbraw/zinc/02/86/53/554028653.db2.gz SBTHXNDRFIQEHR-UHFFFAOYSA-N 0 0 501.715 2.445 50 0 KEAARN CCCCNC(=O)N1CCC(N(Cc2cccc(F)c2)C(=O)CN(CCOC)S(=O)(=O)CC)CC1 ZINC000034910307 554029175 /nfs/dbraw/zinc/02/91/75/554029175.db2.gz NHUIIHQRVMDZPK-UHFFFAOYSA-N 0 0 514.664 2.427 50 0 KEAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000034910309 554029140 /nfs/dbraw/zinc/02/91/40/554029140.db2.gz YDQXRQHJSRWEIQ-UHFFFAOYSA-N 0 0 514.664 2.425 50 0 KEAARN CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)NCC(=O)OCC)CC1)S(=O)(=O)CC ZINC000034910319 554029206 /nfs/dbraw/zinc/02/92/06/554029206.db2.gz KIAKGDFOTWPQBU-UHFFFAOYSA-N 0 0 524.684 2.122 50 0 KEAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(S(=O)(=O)CC)CC1)S(=O)(=O)CCC ZINC000034910328 554029210 /nfs/dbraw/zinc/02/92/10/554029210.db2.gz DLJSDAXUPPORBU-UHFFFAOYSA-N 0 0 505.678 2.420 50 0 KEAARN CC(C)C(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000034919649 554031098 /nfs/dbraw/zinc/03/10/98/554031098.db2.gz CNHPKCVAGVDAST-UHFFFAOYSA-N 0 0 533.670 2.357 50 0 KEAARN NC(=O)C1CCN(c2ccc(NC(=O)CSc3ccccc3)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000034919827 554031086 /nfs/dbraw/zinc/03/10/86/554031086.db2.gz ULMLIFHMBSQSCY-UHFFFAOYSA-N 0 0 518.661 2.140 50 0 KEAARN NC(=O)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000034919830 554031058 /nfs/dbraw/zinc/03/10/58/554031058.db2.gz RSIZHRLIDGIWFK-VXKWHMMOSA-N 0 0 512.632 2.151 50 0 KEAARN NC(=O)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000034919832 554031041 /nfs/dbraw/zinc/03/10/41/554031041.db2.gz RSIZHRLIDGIWFK-FCHUYYIVSA-N 0 0 512.632 2.151 50 0 KEAARN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(OC)c1OC(C)=O ZINC000035224989 1066417222 /nfs/dbraw/zinc/41/72/22/1066417222.db2.gz IGHVTONMVMQUDD-UHFFFAOYSA-N 0 0 508.509 2.004 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)cc3)cc2)CC1 ZINC000035264201 554042509 /nfs/dbraw/zinc/04/25/09/554042509.db2.gz YSLIAIOSMPQRJB-UHFFFAOYSA-N 0 0 506.694 2.006 50 0 KEAARN CCOC(=O)C1CCN(c2nc3ccccc3n3c(=O)n(CC(=O)Nc4cccc(OC)c4)nc23)CC1 ZINC000035372049 554044838 /nfs/dbraw/zinc/04/48/38/554044838.db2.gz IZZYNMQBVZELLI-UHFFFAOYSA-N 0 0 504.547 2.471 50 0 KEAARN COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC(C)C)c2=O)c1OC ZINC000035377705 554045531 /nfs/dbraw/zinc/04/55/31/554045531.db2.gz NKBLYNIRPVENCC-UHFFFAOYSA-N 0 0 510.591 2.192 50 0 KEAARN COCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000035377741 554045863 /nfs/dbraw/zinc/04/58/63/554045863.db2.gz HKLQZXGEUCMCEQ-UHFFFAOYSA-N 0 0 506.603 2.297 50 0 KEAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000035377771 554045841 /nfs/dbraw/zinc/04/58/41/554045841.db2.gz QCKDIMQEEIOTMH-UHFFFAOYSA-N 0 0 502.527 2.097 50 0 KEAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1 ZINC000035377775 554045781 /nfs/dbraw/zinc/04/57/81/554045781.db2.gz XPMAZCGDLCUFPM-UHFFFAOYSA-N 0 0 504.974 2.453 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 ZINC000035377814 554046082 /nfs/dbraw/zinc/04/60/82/554046082.db2.gz GWKBPRKHLJORDQ-UHFFFAOYSA-N 0 0 500.555 2.405 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1 ZINC000035377815 554046025 /nfs/dbraw/zinc/04/60/25/554046025.db2.gz LADJFMJVPYUVGF-UHFFFAOYSA-N 0 0 516.554 2.105 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c2=O)cc1 ZINC000035377816 554046018 /nfs/dbraw/zinc/04/60/18/554046018.db2.gz IRKOAPZIVRPCLB-UHFFFAOYSA-N 0 0 516.554 2.105 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000035377817 554046022 /nfs/dbraw/zinc/04/60/22/554046022.db2.gz LWFOHQHYYLJNQU-UHFFFAOYSA-N 0 0 504.518 2.235 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 ZINC000035377818 554046047 /nfs/dbraw/zinc/04/60/47/554046047.db2.gz YGLXUEYPVPXYLN-UHFFFAOYSA-N 0 0 500.555 2.405 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000035377819 554046073 /nfs/dbraw/zinc/04/60/73/554046073.db2.gz WWECKSWUQMTRMF-UHFFFAOYSA-N 0 0 504.518 2.235 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 ZINC000035377823 554046069 /nfs/dbraw/zinc/04/60/69/554046069.db2.gz FUZAXSPKDNOGHU-UHFFFAOYSA-N 0 0 504.518 2.235 50 0 KEAARN COc1ccc(CNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)cc1 ZINC000035377836 554046077 /nfs/dbraw/zinc/04/60/77/554046077.db2.gz WLIOPYSSRJOHIV-UHFFFAOYSA-N 0 0 512.566 2.299 50 0 KEAARN COc1cccc(CNC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c2=O)c1 ZINC000035377837 554046028 /nfs/dbraw/zinc/04/60/28/554046028.db2.gz HNSJZDNHILCZDC-UHFFFAOYSA-N 0 0 512.566 2.299 50 0 KEAARN O=C(Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NC3CC3)cc2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000035377839 554046061 /nfs/dbraw/zinc/04/60/61/554046061.db2.gz HBEZPVLBBOOMDU-UHFFFAOYSA-N 0 0 512.522 2.341 50 0 KEAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)CC1 ZINC000035378788 554046232 /nfs/dbraw/zinc/04/62/32/554046232.db2.gz DOSRAPZVSCTFAB-IBGZPJMESA-N 0 0 528.631 2.084 50 0 KEAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)CO4)C2)CC1 ZINC000035378789 554046349 /nfs/dbraw/zinc/04/63/49/554046349.db2.gz DOSRAPZVSCTFAB-LJQANCHMSA-N 0 0 528.631 2.084 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)C3)CC2)c1 ZINC000035378790 554046325 /nfs/dbraw/zinc/04/63/25/554046325.db2.gz FUPMEQUFHVVVSS-IBGZPJMESA-N 0 0 528.631 2.084 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)C3)CC2)c1 ZINC000035378791 554046340 /nfs/dbraw/zinc/04/63/40/554046340.db2.gz FUPMEQUFHVVVSS-LJQANCHMSA-N 0 0 528.631 2.084 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C1)OCC(=O)N2 ZINC000035378886 554046318 /nfs/dbraw/zinc/04/63/18/554046318.db2.gz YOYOJESOPVZNDC-SFHVURJKSA-N 0 0 516.595 2.215 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)C1)OCC(=O)N2 ZINC000035378887 554046329 /nfs/dbraw/zinc/04/63/29/554046329.db2.gz YOYOJESOPVZNDC-GOSISDBHSA-N 0 0 516.595 2.215 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(c4ccccc4F)CC3)C1)OCC(=O)N2 ZINC000035378908 554046240 /nfs/dbraw/zinc/04/62/40/554046240.db2.gz LVRSKEBIBYOAGQ-SFHVURJKSA-N 0 0 516.595 2.215 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)C1)OCC(=O)N2 ZINC000035378909 554046302 /nfs/dbraw/zinc/04/63/02/554046302.db2.gz LVRSKEBIBYOAGQ-GOSISDBHSA-N 0 0 516.595 2.215 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1)N1CCN(c2ccccc2)CC1 ZINC000035379012 554046561 /nfs/dbraw/zinc/04/65/61/554046561.db2.gz WYJMVFWFLAWOBZ-QGZVFWFLSA-N 0 0 519.023 2.420 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1)N1CCN(c2ccccc2)CC1 ZINC000035379013 554046549 /nfs/dbraw/zinc/04/65/49/554046549.db2.gz WYJMVFWFLAWOBZ-KRWDZBQOSA-N 0 0 519.023 2.420 50 0 KEAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000035379014 554046542 /nfs/dbraw/zinc/04/65/42/554046542.db2.gz IVAJHSIUUDCUIV-CQSZACIVSA-N 0 0 507.952 2.117 50 0 KEAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1 ZINC000035379015 554046643 /nfs/dbraw/zinc/04/66/43/554046643.db2.gz IVAJHSIUUDCUIV-AWEZNQCLSA-N 0 0 507.952 2.117 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379096 554046529 /nfs/dbraw/zinc/04/65/29/554046529.db2.gz ODWNNBBBWGGUIW-UXHICEINSA-N 0 0 512.632 2.464 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C1)O[C@H](C)C(=O)N2 ZINC000035379097 554046618 /nfs/dbraw/zinc/04/66/18/554046618.db2.gz ODWNNBBBWGGUIW-WOJBJXKFSA-N 0 0 512.632 2.464 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C1)O[C@H](C)C(=O)N2 ZINC000035379098 554046646 /nfs/dbraw/zinc/04/66/46/554046646.db2.gz SSWUAKALFSAUBZ-WBVHZDCISA-N 0 0 501.561 2.160 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C1)O[C@H](C)C(=O)N2 ZINC000035379099 554046552 /nfs/dbraw/zinc/04/65/52/554046552.db2.gz SSWUAKALFSAUBZ-NVXWUHKLSA-N 0 0 501.561 2.160 50 0 KEAARN COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1OC ZINC000035396818 554047498 /nfs/dbraw/zinc/04/74/98/554047498.db2.gz CMWMYSAPHVBTJR-UHFFFAOYSA-N 0 0 514.556 2.360 50 0 KEAARN Cc1[nH]c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c1C(=O)N1CCCCC1 ZINC000035404900 554049092 /nfs/dbraw/zinc/04/90/92/554049092.db2.gz QWDIGXIGEOSLAO-UHFFFAOYSA-N 0 0 522.668 2.024 50 0 KEAARN CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)c(C)s2)no1 ZINC000035426058 554050368 /nfs/dbraw/zinc/05/03/68/554050368.db2.gz VZFBEWOJKYNGAW-UHFFFAOYSA-N 0 0 510.638 2.435 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCCC3)c2=O)cc1 ZINC000035427774 554052669 /nfs/dbraw/zinc/05/26/69/554052669.db2.gz QKQFSRGODPFPKM-UHFFFAOYSA-N 0 0 508.575 2.037 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 ZINC000035427809 554052645 /nfs/dbraw/zinc/05/26/45/554052645.db2.gz DDNWIBCUHNKNQM-UHFFFAOYSA-N 0 0 520.517 2.366 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000035427816 554052660 /nfs/dbraw/zinc/05/26/60/554052660.db2.gz DTMMBTWSMPHTMD-UHFFFAOYSA-N 0 0 520.517 2.366 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000035427818 554052641 /nfs/dbraw/zinc/05/26/41/554052641.db2.gz MGYXHDRZFUHJJE-UHFFFAOYSA-N 0 0 502.527 2.227 50 0 KEAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N(CC)CC)c2=O)cc1 ZINC000035427852 554052634 /nfs/dbraw/zinc/05/26/34/554052634.db2.gz MSEAOCUTBAEACF-UHFFFAOYSA-N 0 0 510.591 2.237 50 0 KEAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@@H](C)CC)c2=O)cc1 ZINC000035427854 554052595 /nfs/dbraw/zinc/05/25/95/554052595.db2.gz GKUGEJZWBCQRAE-KRWDZBQOSA-N 0 0 510.591 2.283 50 0 KEAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N[C@H](C)CC)c2=O)cc1 ZINC000035427856 554052644 /nfs/dbraw/zinc/05/26/44/554052644.db2.gz GKUGEJZWBCQRAE-QGZVFWFLSA-N 0 0 510.591 2.283 50 0 KEAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000035427860 554052630 /nfs/dbraw/zinc/05/26/30/554052630.db2.gz WZZMPSAISWVAMN-UHFFFAOYSA-N 0 0 522.602 2.427 50 0 KEAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000035427904 554052829 /nfs/dbraw/zinc/05/28/29/554052829.db2.gz BYLRCULLANZXMT-UHFFFAOYSA-N 0 0 510.591 2.283 50 0 KEAARN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCC)c2=O)cc1 ZINC000035427906 554052864 /nfs/dbraw/zinc/05/28/64/554052864.db2.gz OSGRHVDNWOLJGY-UHFFFAOYSA-N 0 0 510.591 2.285 50 0 KEAARN CCN(CC)C(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NC(C)C)cc2)c1=O ZINC000035427926 554052867 /nfs/dbraw/zinc/05/28/67/554052867.db2.gz UBHSIKCFKIHPAY-UHFFFAOYSA-N 0 0 510.591 2.235 50 0 KEAARN CC[C@@H](C)NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NC(C)C)cc2)c1=O ZINC000035427930 554052794 /nfs/dbraw/zinc/05/27/94/554052794.db2.gz CFJFRWRVESJBOG-QGZVFWFLSA-N 0 0 510.591 2.282 50 0 KEAARN CC[C@H](C)NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NC(C)C)cc2)c1=O ZINC000035427932 554052835 /nfs/dbraw/zinc/05/28/35/554052835.db2.gz CFJFRWRVESJBOG-KRWDZBQOSA-N 0 0 510.591 2.282 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NC1CCCC1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000035427936 554052804 /nfs/dbraw/zinc/05/28/04/554052804.db2.gz GWRUMJQIFBSDRM-UHFFFAOYSA-N 0 0 522.602 2.426 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NCCC(C)C)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000035428009 554053058 /nfs/dbraw/zinc/05/30/58/554053058.db2.gz RJEHBULQUXXTBK-UHFFFAOYSA-N 0 0 522.602 2.283 50 0 KEAARN CC[C@@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000035428050 554053259 /nfs/dbraw/zinc/05/32/59/554053259.db2.gz FSVMLWKPINDXIK-QGZVFWFLSA-N 0 0 510.591 2.282 50 0 KEAARN CC[C@H](C)NC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NC(C)C)c2=O)cc1 ZINC000035428052 554053293 /nfs/dbraw/zinc/05/32/93/554053293.db2.gz FSVMLWKPINDXIK-KRWDZBQOSA-N 0 0 510.591 2.282 50 0 KEAARN COc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)c1 ZINC000035431600 554053514 /nfs/dbraw/zinc/05/35/14/554053514.db2.gz OZUCBIDCLGBZBC-MRXNPFEDSA-N 0 0 505.618 2.430 50 0 KEAARN COc1cccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)c1 ZINC000035431603 554053480 /nfs/dbraw/zinc/05/34/80/554053480.db2.gz OZUCBIDCLGBZBC-INIZCTEOSA-N 0 0 505.618 2.430 50 0 KEAARN C[C@@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)N2CCc3ccccc32)C1=O ZINC000035431615 554053440 /nfs/dbraw/zinc/05/34/40/554053440.db2.gz CLNGZFZHBUUPNS-QGZVFWFLSA-N 0 0 501.630 2.372 50 0 KEAARN C[C@H]1CSc2ccc(S(=O)(=O)N3CCOCC3)cc2N(CC(=O)N2CCc3ccccc32)C1=O ZINC000035431618 554053458 /nfs/dbraw/zinc/05/34/58/554053458.db2.gz CLNGZFZHBUUPNS-KRWDZBQOSA-N 0 0 501.630 2.372 50 0 KEAARN COc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@@H](C)C1=O ZINC000035431679 554053447 /nfs/dbraw/zinc/05/34/47/554053447.db2.gz XHMSWIAXFKVJGV-MRXNPFEDSA-N 0 0 505.618 2.430 50 0 KEAARN COc1ccccc1NC(=O)CN1c2cc(S(=O)(=O)N3CCOCC3)ccc2SC[C@H](C)C1=O ZINC000035431681 554053491 /nfs/dbraw/zinc/05/34/91/554053491.db2.gz XHMSWIAXFKVJGV-INIZCTEOSA-N 0 0 505.618 2.430 50 0 KEAARN COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)cc1 ZINC000035431693 554053808 /nfs/dbraw/zinc/05/38/08/554053808.db2.gz MOVUBJPNPWDMKP-MRXNPFEDSA-N 0 0 505.618 2.430 50 0 KEAARN COc1ccc(NC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)cc1 ZINC000035431696 554053757 /nfs/dbraw/zinc/05/37/57/554053757.db2.gz MOVUBJPNPWDMKP-INIZCTEOSA-N 0 0 505.618 2.430 50 0 KEAARN COC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C(C)=O)C3 ZINC000035432067 554054208 /nfs/dbraw/zinc/05/42/08/554054208.db2.gz OEBHKEJMAVZOMH-UHFFFAOYSA-N 0 0 500.602 2.042 50 0 KEAARN COC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCN(C(C)=O)C3 ZINC000035432098 554054197 /nfs/dbraw/zinc/05/41/97/554054197.db2.gz VHWGAYJRWLTNKK-UHFFFAOYSA-N 0 0 500.602 2.042 50 0 KEAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NC[C@@H]4CCCO4)n(Cc4ccco4)c(=O)c32)C1 ZINC000035432178 554054412 /nfs/dbraw/zinc/05/44/12/554054412.db2.gz HJPFTFQLGOOUMI-HNNXBMFYSA-N 0 0 502.618 2.391 50 0 KEAARN CC(=O)N1CCc2c(sc3nc(SCC(=O)NC[C@H]4CCCO4)n(Cc4ccco4)c(=O)c32)C1 ZINC000035432181 554054433 /nfs/dbraw/zinc/05/44/33/554054433.db2.gz HJPFTFQLGOOUMI-OAHLLOKOSA-N 0 0 502.618 2.391 50 0 KEAARN CCCn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)cc2sc1=O ZINC000035455035 554055840 /nfs/dbraw/zinc/05/58/40/554055840.db2.gz RERIIIVJIUPRMW-UHFFFAOYSA-N 0 0 509.650 2.239 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)CC1)N1CCC2(CC1)OCCO2 ZINC000035457638 554055963 /nfs/dbraw/zinc/05/59/63/554055963.db2.gz UZLKNIHYSCTKGU-UHFFFAOYSA-N 0 0 508.622 2.442 50 0 KEAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cncc(Br)c4)CC3)cc2NC1=O ZINC000035481881 554056626 /nfs/dbraw/zinc/05/66/26/554056626.db2.gz QWXPZMGUUKHIEA-QGZVFWFLSA-N 0 0 509.382 2.100 50 0 KEAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4cncc(Br)c4)CC3)cc2NC1=O ZINC000035481882 554056464 /nfs/dbraw/zinc/05/64/64/554056464.db2.gz QWXPZMGUUKHIEA-KRWDZBQOSA-N 0 0 509.382 2.100 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2nc3ccccc3[nH]2)CC1 ZINC000035511089 554057297 /nfs/dbraw/zinc/05/72/97/554057297.db2.gz RBRNZTQXGHAOCG-UHFFFAOYSA-N 0 0 501.609 2.444 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000035511095 554057596 /nfs/dbraw/zinc/05/75/96/554057596.db2.gz RFPLIJFPEFHSGN-UHFFFAOYSA-N 0 0 505.593 2.264 50 0 KEAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2nc3ccccc3[nH]2)CC1 ZINC000035511108 554057671 /nfs/dbraw/zinc/05/76/71/554057671.db2.gz GABROYRXKBGUMC-UHFFFAOYSA-N 0 0 515.636 2.455 50 0 KEAARN NC(=O)c1c2c(sc1NC(=O)CN1CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC1)CCC2 ZINC000035526398 554057947 /nfs/dbraw/zinc/05/79/47/554057947.db2.gz BGLVGTQHTCVSML-UHFFFAOYSA-N 0 0 516.567 2.300 50 0 KEAARN Cn1c2ccc(S(=O)(=O)Nc3cc4c(cc3NCc3ccccc3)n(C)c(=O)n4C)cc2n(C)c1=O ZINC000035534774 554058201 /nfs/dbraw/zinc/05/82/01/554058201.db2.gz MVYQVRDYHIDPMR-UHFFFAOYSA-N 0 0 506.588 2.480 50 0 KEAARN O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1 ZINC000035744114 554070083 /nfs/dbraw/zinc/07/00/83/554070083.db2.gz ODCDSRDZPULESJ-UHFFFAOYSA-N 0 0 527.021 2.245 50 0 KEAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@@H]12 ZINC000035907849 554091963 /nfs/dbraw/zinc/09/19/63/554091963.db2.gz CPYRVTMKQBVJDQ-UNMCSNQZSA-N 0 0 504.557 2.201 50 0 KEAARN O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000035907954 554092332 /nfs/dbraw/zinc/09/23/32/554092332.db2.gz IBJBHMBYWOJSLW-FPOVZHCZSA-N 0 0 506.525 2.250 50 0 KEAARN O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 ZINC000035907955 554092266 /nfs/dbraw/zinc/09/22/66/554092266.db2.gz IBJBHMBYWOJSLW-CTNGQTDRSA-N 0 0 506.525 2.250 50 0 KEAARN COc1cccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5OC)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926262 554098710 /nfs/dbraw/zinc/09/87/10/554098710.db2.gz WVNQIRDANHOXLZ-UHFFFAOYSA-N 0 0 518.618 2.072 50 0 KEAARN COc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926271 554098644 /nfs/dbraw/zinc/09/86/44/554098644.db2.gz AXKXMBKTPWLUMA-UHFFFAOYSA-N 0 0 506.582 2.202 50 0 KEAARN COc1cccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926290 554099199 /nfs/dbraw/zinc/09/91/99/554099199.db2.gz KELOJMCEFHNGNV-UHFFFAOYSA-N 0 0 506.582 2.202 50 0 KEAARN O=C(COCc1ccccc1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926293 554099265 /nfs/dbraw/zinc/09/92/65/554099265.db2.gz SMYKIAFAGGQYRD-UHFFFAOYSA-N 0 0 520.609 2.097 50 0 KEAARN COc1ccccc1C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926295 554099333 /nfs/dbraw/zinc/09/93/33/554099333.db2.gz IEJUIZBVCWMLPN-UHFFFAOYSA-N 0 0 506.582 2.202 50 0 KEAARN CCCCC(=O)N1CCCN(c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000035926369 554099142 /nfs/dbraw/zinc/09/91/42/554099142.db2.gz ZGJVEDZWVWGAKN-UHFFFAOYSA-N 0 0 510.639 2.045 50 0 KEAARN CC(C)(C)CC(=O)N1CCCN(c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000035926374 554099253 /nfs/dbraw/zinc/09/92/53/554099253.db2.gz FRPXGGVACRNUNS-UHFFFAOYSA-N 0 0 524.666 2.291 50 0 KEAARN O=C(COc1ccccc1)N1CCN(c2nc(CN3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926398 554099670 /nfs/dbraw/zinc/09/96/70/554099670.db2.gz OZCAROJARPYHRE-UHFFFAOYSA-N 0 0 523.037 2.473 50 0 KEAARN COc1cccc(OC)c1C(=O)N1CCN(c2nc(CN3CCN(c4ccccc4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926427 554099591 /nfs/dbraw/zinc/09/95/91/554099591.db2.gz PLQIULVYFWWKPF-UHFFFAOYSA-N 0 0 532.645 2.380 50 0 KEAARN COc1cccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccccc5C)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926431 554099497 /nfs/dbraw/zinc/09/94/97/554099497.db2.gz LGNPPLXYMZYAJQ-UHFFFAOYSA-N 0 0 502.619 2.372 50 0 KEAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)COc5ccccc5)CC4)n3)CC2)cc1C ZINC000035926640 554100079 /nfs/dbraw/zinc/10/00/79/554100079.db2.gz WBSUUKCIDHTPCX-UHFFFAOYSA-N 0 0 516.646 2.437 50 0 KEAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)C(C)(C)C)CC3)n2)CC1 ZINC000035926659 554099971 /nfs/dbraw/zinc/09/99/71/554099971.db2.gz VCKARFVORBCMGW-UHFFFAOYSA-N 0 0 503.047 2.449 50 0 KEAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)C)CC3)n2)CC1 ZINC000035926665 554100510 /nfs/dbraw/zinc/10/05/10/554100510.db2.gz OFDBGPLHGBSNRU-UHFFFAOYSA-N 0 0 503.047 2.449 50 0 KEAARN O=C(c1ccccc1F)N1CCN(c2nc(CN3CCN(Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926669 554100386 /nfs/dbraw/zinc/10/03/86/554100386.db2.gz HBEANYWZASCUBG-UHFFFAOYSA-N 0 0 508.573 2.328 50 0 KEAARN COc1cccc(C(=O)N2CCN(c3nc(CN4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)c1 ZINC000035926672 554100362 /nfs/dbraw/zinc/10/03/62/554100362.db2.gz BTOYBQBEUAXJTB-UHFFFAOYSA-N 0 0 520.609 2.198 50 0 KEAARN COc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5cccc(C)c5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926727 554100415 /nfs/dbraw/zinc/10/04/15/554100415.db2.gz NWPOCZRNUIQAGY-UHFFFAOYSA-N 0 0 502.619 2.372 50 0 KEAARN COc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccc(C)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926744 554100457 /nfs/dbraw/zinc/10/04/57/554100457.db2.gz CZJATOUIKVYPJD-UHFFFAOYSA-N 0 0 502.619 2.372 50 0 KEAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)COc5ccccc5)CC4)n3)CC2)cc1 ZINC000035926753 554100557 /nfs/dbraw/zinc/10/05/57/554100557.db2.gz JFSWLTBNWMOYBP-UHFFFAOYSA-N 0 0 502.619 2.128 50 0 KEAARN COc1cccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)NC5CCCCC5)CC4)n3)CC2)c1 ZINC000035926761 554100354 /nfs/dbraw/zinc/10/03/54/554100354.db2.gz ZHDKHHNEWAJIFS-UHFFFAOYSA-N 0 0 509.655 2.265 50 0 KEAARN O=C(NC1CCCCC1)N1CCN(c2nc(CN3CCN(Cc4ccc(F)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000035926773 554100421 /nfs/dbraw/zinc/10/04/21/554100421.db2.gz MNOLGTODQXENOY-UHFFFAOYSA-N 0 0 511.646 2.391 50 0 KEAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)[nH]c(N3CCN(C(=O)NCc4ccccc4)CC3)n1)CC2 ZINC000035926791 554100820 /nfs/dbraw/zinc/10/08/20/554100820.db2.gz PNDUHQTZQHXWSY-UHFFFAOYSA-N 0 0 518.618 2.377 50 0 KEAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1ccccc1 ZINC000035929437 554101636 /nfs/dbraw/zinc/10/16/36/554101636.db2.gz JMNJXEHZEXIWLA-UHFFFAOYSA-N 0 0 512.618 2.105 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000035946879 554103370 /nfs/dbraw/zinc/10/33/70/554103370.db2.gz SXZNGDXJWDUJNF-VWLOTQADSA-N 0 0 512.582 2.319 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000035946880 554103381 /nfs/dbraw/zinc/10/33/81/554103381.db2.gz SXZNGDXJWDUJNF-RUZDIDTESA-N 0 0 512.582 2.319 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1F ZINC000035946931 554103670 /nfs/dbraw/zinc/10/36/70/554103670.db2.gz PELMAYVQJOIHBC-DEOSSOPVSA-N 0 0 500.546 2.450 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1F ZINC000035946932 554103650 /nfs/dbraw/zinc/10/36/50/554103650.db2.gz PELMAYVQJOIHBC-XMMPIXPASA-N 0 0 500.546 2.450 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000035947154 554103856 /nfs/dbraw/zinc/10/38/56/554103856.db2.gz PKNUITDXPPSKDA-DEOSSOPVSA-N 0 0 500.546 2.450 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000035947155 554103811 /nfs/dbraw/zinc/10/38/11/554103811.db2.gz PKNUITDXPPSKDA-XMMPIXPASA-N 0 0 500.546 2.450 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000035947981 554105410 /nfs/dbraw/zinc/10/54/10/554105410.db2.gz YEMVKIWTWOVGGN-QFIPXVFZSA-N 0 0 530.647 2.250 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000035947982 554105729 /nfs/dbraw/zinc/10/57/29/554105729.db2.gz YEMVKIWTWOVGGN-JOCHJYFZSA-N 0 0 530.647 2.250 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000035947989 554105717 /nfs/dbraw/zinc/10/57/17/554105717.db2.gz ZDVYPQWKBGFLQL-QHCPKHFHSA-N 0 0 526.565 2.039 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035947990 554105737 /nfs/dbraw/zinc/10/57/37/554105737.db2.gz ZDVYPQWKBGFLQL-HSZRJFAPSA-N 0 0 526.565 2.039 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(F)cc1 ZINC000035948023 554105702 /nfs/dbraw/zinc/10/57/02/554105702.db2.gz UNVFTJVVNUIYGE-DEOSSOPVSA-N 0 0 500.546 2.450 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(F)cc1 ZINC000035948024 554105690 /nfs/dbraw/zinc/10/56/90/554105690.db2.gz UNVFTJVVNUIYGE-XMMPIXPASA-N 0 0 500.546 2.450 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(F)cc1 ZINC000035948037 554105715 /nfs/dbraw/zinc/10/57/15/554105715.db2.gz YNXOUJNACHOSTJ-VWLOTQADSA-N 0 0 512.582 2.319 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000035948038 554105739 /nfs/dbraw/zinc/10/57/39/554105739.db2.gz YNXOUJNACHOSTJ-RUZDIDTESA-N 0 0 512.582 2.319 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OC ZINC000035948051 554105962 /nfs/dbraw/zinc/10/59/62/554105962.db2.gz CQVRDRDLPXBMBA-VWLOTQADSA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1OC ZINC000035948052 554105948 /nfs/dbraw/zinc/10/59/48/554105948.db2.gz CQVRDRDLPXBMBA-RUZDIDTESA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(C)cc1 ZINC000035948207 554106211 /nfs/dbraw/zinc/10/62/11/554106211.db2.gz ANXPGRBWFKYCNU-SANMLTNESA-N 0 0 508.619 2.489 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000035948208 554106210 /nfs/dbraw/zinc/10/62/10/554106210.db2.gz ANXPGRBWFKYCNU-AREMUKBSSA-N 0 0 508.619 2.489 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1 ZINC000035961891 554110450 /nfs/dbraw/zinc/11/04/50/554110450.db2.gz WOPYWKMLQVDNOK-VWLOTQADSA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1 ZINC000035961892 554110410 /nfs/dbraw/zinc/11/04/10/554110410.db2.gz WOPYWKMLQVDNOK-RUZDIDTESA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1 ZINC000035962031 554110715 /nfs/dbraw/zinc/11/07/15/554110715.db2.gz ACAFOHGMZPOWMZ-SANMLTNESA-N 0 0 508.619 2.489 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1 ZINC000035962032 554110664 /nfs/dbraw/zinc/11/06/64/554110664.db2.gz ACAFOHGMZPOWMZ-AREMUKBSSA-N 0 0 508.619 2.489 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000035962039 554110682 /nfs/dbraw/zinc/11/06/82/554110682.db2.gz BHGIURMVFAUBBS-SANMLTNESA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000035962040 554110708 /nfs/dbraw/zinc/11/07/08/554110708.db2.gz BHGIURMVFAUBBS-AREMUKBSSA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1OC ZINC000035963018 554111269 /nfs/dbraw/zinc/11/12/69/554111269.db2.gz MTSUANZCSJSNQI-VWLOTQADSA-N 0 0 524.618 2.189 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OC ZINC000035963021 554111266 /nfs/dbraw/zinc/11/12/66/554111266.db2.gz MTSUANZCSJSNQI-RUZDIDTESA-N 0 0 524.618 2.189 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCN(C)CC2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035981858 554118080 /nfs/dbraw/zinc/11/80/80/554118080.db2.gz GGQNYYJMVJNWTD-DEOSSOPVSA-N 0 0 524.593 2.082 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCN(C)CC2)N3C(=O)c2ccc(F)cc2)cc1 ZINC000035981859 554118036 /nfs/dbraw/zinc/11/80/36/554118036.db2.gz GGQNYYJMVJNWTD-XMMPIXPASA-N 0 0 524.593 2.082 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)C4CC4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981900 554118077 /nfs/dbraw/zinc/11/80/77/554118077.db2.gz IFXIHVYXAHZEFG-QFIPXVFZSA-N 0 0 515.582 2.197 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)C4CC4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981901 554118090 /nfs/dbraw/zinc/11/80/90/554118090.db2.gz IFXIHVYXAHZEFG-JOCHJYFZSA-N 0 0 515.582 2.197 50 0 KEAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4cccc(F)c4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981914 554118159 /nfs/dbraw/zinc/11/81/59/554118159.db2.gz FVXBFRHWKUVBTR-QHCPKHFHSA-N 0 0 512.557 2.212 50 0 KEAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4cccc(F)c4)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000035981915 554118104 /nfs/dbraw/zinc/11/81/04/554118104.db2.gz FVXBFRHWKUVBTR-HSZRJFAPSA-N 0 0 512.557 2.212 50 0 KEAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCN(C)CC2)N3C(=O)c2ccc(F)cc2)c1 ZINC000035982000 554118331 /nfs/dbraw/zinc/11/83/31/554118331.db2.gz PNVSTUAEDATDOX-DEOSSOPVSA-N 0 0 508.594 2.382 50 0 KEAARN Cc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCN(C)CC2)N3C(=O)c2ccc(F)cc2)c1 ZINC000035982001 554118404 /nfs/dbraw/zinc/11/84/04/554118404.db2.gz PNVSTUAEDATDOX-XMMPIXPASA-N 0 0 508.594 2.382 50 0 KEAARN COc1ccc(C(=O)N2[C@H](C(=O)NC(C)C)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000035986496 554119296 /nfs/dbraw/zinc/11/92/96/554119296.db2.gz YTRDOHGNUZIWGG-NRFANRHFSA-N 0 0 509.559 2.422 50 0 KEAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC(C)C)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000035986497 554119242 /nfs/dbraw/zinc/11/92/42/554119242.db2.gz YTRDOHGNUZIWGG-OAQYLSRUSA-N 0 0 509.559 2.422 50 0 KEAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986559 554119508 /nfs/dbraw/zinc/11/95/08/554119508.db2.gz QQWHHWMJOJDJCA-QFIPXVFZSA-N 0 0 517.529 2.210 50 0 KEAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000035986561 554119534 /nfs/dbraw/zinc/11/95/34/554119534.db2.gz QQWHHWMJOJDJCA-JOCHJYFZSA-N 0 0 517.529 2.210 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2)c1 ZINC000035986831 554119692 /nfs/dbraw/zinc/11/96/92/554119692.db2.gz KJMVSFQZAAOCQC-ZEQRLZLVSA-N 0 0 507.587 2.464 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2)c1 ZINC000035986832 554119732 /nfs/dbraw/zinc/11/97/32/554119732.db2.gz KJMVSFQZAAOCQC-BJKOFHAPSA-N 0 0 507.587 2.464 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2)c1 ZINC000035986833 554119683 /nfs/dbraw/zinc/11/96/83/554119683.db2.gz KJMVSFQZAAOCQC-RPWUZVMVSA-N 0 0 507.587 2.464 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2)c1 ZINC000035986834 554119725 /nfs/dbraw/zinc/11/97/25/554119725.db2.gz KJMVSFQZAAOCQC-DNQXCXABSA-N 0 0 507.587 2.464 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCOCC2)N3C(=O)c2ccccc2)cc1OC ZINC000035986899 554119933 /nfs/dbraw/zinc/11/99/33/554119933.db2.gz ZIBOVDAKIYPGLQ-QFIPXVFZSA-N 0 0 523.586 2.036 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCOCC2)N3C(=O)c2ccccc2)cc1OC ZINC000035986900 554119964 /nfs/dbraw/zinc/11/99/64/554119964.db2.gz ZIBOVDAKIYPGLQ-JOCHJYFZSA-N 0 0 523.586 2.036 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCOCC2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987111 554120590 /nfs/dbraw/zinc/12/05/90/554120590.db2.gz FCAFVYDHBGJGNO-DEOSSOPVSA-N 0 0 507.587 2.336 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCOCC2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987112 554120474 /nfs/dbraw/zinc/12/04/74/554120474.db2.gz FCAFVYDHBGJGNO-XMMPIXPASA-N 0 0 507.587 2.336 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCOCC2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987706 554121739 /nfs/dbraw/zinc/12/17/39/554121739.db2.gz JKOAGXGEBIIJSV-DEOSSOPVSA-N 0 0 507.587 2.336 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCOCC2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987707 554121784 /nfs/dbraw/zinc/12/17/84/554121784.db2.gz JKOAGXGEBIIJSV-XMMPIXPASA-N 0 0 507.587 2.336 50 0 KEAARN O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1 ZINC000035988243 554122481 /nfs/dbraw/zinc/12/24/81/554122481.db2.gz OFLOJNVJCWDYAP-IBGZPJMESA-N 0 0 507.499 2.391 50 0 KEAARN O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccco1 ZINC000035988244 554122440 /nfs/dbraw/zinc/12/24/40/554122440.db2.gz OFLOJNVJCWDYAP-LJQANCHMSA-N 0 0 507.499 2.391 50 0 KEAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000035989902 554122868 /nfs/dbraw/zinc/12/28/68/554122868.db2.gz FOAAQAFBHBJGMS-QHCPKHFHSA-N 0 0 512.557 2.212 50 0 KEAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(F)cc4)CC3)N2C(=O)c2cccc(F)c2)CC1 ZINC000035989903 554122859 /nfs/dbraw/zinc/12/28/59/554122859.db2.gz FOAAQAFBHBJGMS-HSZRJFAPSA-N 0 0 512.557 2.212 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCOCC2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989975 554123434 /nfs/dbraw/zinc/12/34/34/554123434.db2.gz AWORNPLXCXOQLJ-QHCPKHFHSA-N 0 0 511.550 2.167 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCOCC2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989976 554123430 /nfs/dbraw/zinc/12/34/30/554123430.db2.gz AWORNPLXCXOQLJ-HSZRJFAPSA-N 0 0 511.550 2.167 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCN(C)CC2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989977 554123413 /nfs/dbraw/zinc/12/34/13/554123413.db2.gz XRKIZANFIALZJK-DEOSSOPVSA-N 0 0 524.593 2.082 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCN(C)CC2)N3C(=O)c2cccc(F)c2)c1 ZINC000035989978 554123446 /nfs/dbraw/zinc/12/34/46/554123446.db2.gz XRKIZANFIALZJK-XMMPIXPASA-N 0 0 524.593 2.082 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000035991824 554124304 /nfs/dbraw/zinc/12/43/04/554124304.db2.gz DLODJRYKAPBBJH-XMMPIXPASA-N 0 0 502.612 2.407 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)CC(C)C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000035991825 554124331 /nfs/dbraw/zinc/12/43/31/554124331.db2.gz DLODJRYKAPBBJH-DEOSSOPVSA-N 0 0 502.612 2.407 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991856 554124301 /nfs/dbraw/zinc/12/43/01/554124301.db2.gz YZYZQRMQFYXYLQ-QHCPKHFHSA-N 0 0 502.612 2.407 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991857 554124288 /nfs/dbraw/zinc/12/42/88/554124288.db2.gz YZYZQRMQFYXYLQ-HSZRJFAPSA-N 0 0 502.612 2.407 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991862 554124280 /nfs/dbraw/zinc/12/42/80/554124280.db2.gz UKKURGJYHJMPPV-QHCPKHFHSA-N 0 0 500.596 2.161 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991863 554124276 /nfs/dbraw/zinc/12/42/76/554124276.db2.gz UKKURGJYHJMPPV-HSZRJFAPSA-N 0 0 500.596 2.161 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991868 554124394 /nfs/dbraw/zinc/12/43/94/554124394.db2.gz WTEJRMOMUKQUMI-HSZRJFAPSA-N 0 0 500.596 2.161 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991869 554124307 /nfs/dbraw/zinc/12/43/07/554124307.db2.gz WTEJRMOMUKQUMI-QHCPKHFHSA-N 0 0 500.596 2.161 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccsc1 ZINC000035992299 554125618 /nfs/dbraw/zinc/12/56/18/554125618.db2.gz KLOOQWKSFKBJLE-OAQYLSRUSA-N 0 0 504.634 2.268 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccsc1 ZINC000035992300 554125608 /nfs/dbraw/zinc/12/56/08/554125608.db2.gz KLOOQWKSFKBJLE-NRFANRHFSA-N 0 0 504.634 2.268 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000036000210 554127818 /nfs/dbraw/zinc/12/78/18/554127818.db2.gz XLVVAUJSXWFIFK-HSZRJFAPSA-N 0 0 516.595 2.346 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1cccc(F)c1 ZINC000036000212 554127814 /nfs/dbraw/zinc/12/78/14/554127814.db2.gz XLVVAUJSXWFIFK-QHCPKHFHSA-N 0 0 516.595 2.346 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)COC)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000036005363 554130209 /nfs/dbraw/zinc/13/02/09/554130209.db2.gz MDZPVFXIRKOHEW-NRFANRHFSA-N 0 0 512.529 2.399 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)COC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000036005364 554130199 /nfs/dbraw/zinc/13/01/99/554130199.db2.gz MDZPVFXIRKOHEW-OAQYLSRUSA-N 0 0 512.529 2.399 50 0 KEAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036005405 554130428 /nfs/dbraw/zinc/13/04/28/554130428.db2.gz RKICQNUIDRRXCD-HSZRJFAPSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036005406 554130372 /nfs/dbraw/zinc/13/03/72/554130372.db2.gz RKICQNUIDRRXCD-QHCPKHFHSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000036006697 554131707 /nfs/dbraw/zinc/13/17/07/554131707.db2.gz PNLJXRTXXHKWNE-UZUQRXQVSA-N 0 0 517.627 2.341 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000036006698 554131784 /nfs/dbraw/zinc/13/17/84/554131784.db2.gz PNLJXRTXXHKWNE-HXOBKFHXSA-N 0 0 517.627 2.341 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036006711 554131768 /nfs/dbraw/zinc/13/17/68/554131768.db2.gz GFRZURMJGXGLDA-UZUQRXQVSA-N 0 0 517.627 2.341 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000036006712 554131714 /nfs/dbraw/zinc/13/17/14/554131714.db2.gz GFRZURMJGXGLDA-HXOBKFHXSA-N 0 0 517.627 2.341 50 0 KEAARN COc1ccc(NC(=O)CSc2nnc([C@@H]3CCCN(S(C)(=O)=O)C3)n2C[C@H]2CCCO2)cc1 ZINC000036011632 554132825 /nfs/dbraw/zinc/13/28/25/554132825.db2.gz ILQUEUABLULSRB-VQIMIIECSA-N 0 0 509.654 2.336 50 0 KEAARN COc1ccc(NC(=O)CSc2nnc([C@H]3CCCN(S(C)(=O)=O)C3)n2C[C@H]2CCCO2)cc1 ZINC000036011634 554132830 /nfs/dbraw/zinc/13/28/30/554132830.db2.gz ILQUEUABLULSRB-QFBILLFUSA-N 0 0 509.654 2.336 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036013786 554134789 /nfs/dbraw/zinc/13/47/89/554134789.db2.gz GVMICGYQFBOHAC-JOCHJYFZSA-N 0 0 512.563 2.268 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccco3)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036013787 554134911 /nfs/dbraw/zinc/13/49/11/554134911.db2.gz GVMICGYQFBOHAC-QFIPXVFZSA-N 0 0 512.563 2.268 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036013793 554134774 /nfs/dbraw/zinc/13/47/74/554134774.db2.gz BGTZUSSRECWYHV-JOCHJYFZSA-N 0 0 500.596 2.161 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036013795 554134868 /nfs/dbraw/zinc/13/48/68/554134868.db2.gz BGTZUSSRECWYHV-QFIPXVFZSA-N 0 0 500.596 2.161 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036013892 554135128 /nfs/dbraw/zinc/13/51/28/554135128.db2.gz TVXFATLJCMTTLK-OAQYLSRUSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036013894 554135091 /nfs/dbraw/zinc/13/50/91/554135091.db2.gz TVXFATLJCMTTLK-NRFANRHFSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036013916 554135099 /nfs/dbraw/zinc/13/50/99/554135099.db2.gz GIOBKLPPXOMIMR-VGOFRKELSA-N 0 0 517.627 2.341 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036013918 554135095 /nfs/dbraw/zinc/13/50/95/554135095.db2.gz GIOBKLPPXOMIMR-VGSWGCGISA-N 0 0 517.627 2.341 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2C)C[C@@H]1C ZINC000036013919 554135139 /nfs/dbraw/zinc/13/51/39/554135139.db2.gz GZBSHTUOKZWUPK-JTSKRJEESA-N 0 0 517.627 2.343 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2C)C[C@H]1C ZINC000036013921 554135129 /nfs/dbraw/zinc/13/51/29/554135129.db2.gz GZBSHTUOKZWUPK-VGSWGCGISA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)C[C@@H]1C ZINC000036016829 554136059 /nfs/dbraw/zinc/13/60/59/554136059.db2.gz KUJOVZSBYVTYAB-SBUREZEXSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)C[C@H]1C ZINC000036016831 554136085 /nfs/dbraw/zinc/13/60/85/554136085.db2.gz KUJOVZSBYVTYAB-HXOBKFHXSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016837 554135981 /nfs/dbraw/zinc/13/59/81/554135981.db2.gz ZAPLLIOGERQLDN-QHCPKHFHSA-N 0 0 517.627 2.344 50 0 KEAARN CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016839 554135965 /nfs/dbraw/zinc/13/59/65/554135965.db2.gz ZAPLLIOGERQLDN-HSZRJFAPSA-N 0 0 517.627 2.344 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017127 554136048 /nfs/dbraw/zinc/13/60/48/554136048.db2.gz WIJVCXWAYMCNGM-QHCPKHFHSA-N 0 0 517.627 2.344 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017129 554136010 /nfs/dbraw/zinc/13/60/10/554136010.db2.gz WIJVCXWAYMCNGM-HSZRJFAPSA-N 0 0 517.627 2.344 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)C[C@@H]1C ZINC000036017131 554136091 /nfs/dbraw/zinc/13/60/91/554136091.db2.gz HZWFXAIHQLSUDU-SBUREZEXSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)C[C@H]1C ZINC000036017133 554136068 /nfs/dbraw/zinc/13/60/68/554136068.db2.gz HZWFXAIHQLSUDU-HXOBKFHXSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000036017296 554136334 /nfs/dbraw/zinc/13/63/34/554136334.db2.gz YPHGARSYHFZAOD-QFIPXVFZSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000036017298 554136389 /nfs/dbraw/zinc/13/63/89/554136389.db2.gz YPHGARSYHFZAOD-JOCHJYFZSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2CC)C[C@@H]1C ZINC000036017300 554136379 /nfs/dbraw/zinc/13/63/79/554136379.db2.gz IUJALVYKLNOGOG-JTSKRJEESA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2CC)C[C@H]1C ZINC000036017302 554136355 /nfs/dbraw/zinc/13/63/55/554136355.db2.gz IUJALVYKLNOGOG-VGSWGCGISA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017324 554136602 /nfs/dbraw/zinc/13/66/02/554136602.db2.gz CAEFPDTWAJSKGN-QHCPKHFHSA-N 0 0 517.627 2.343 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017326 554136689 /nfs/dbraw/zinc/13/66/89/554136689.db2.gz CAEFPDTWAJSKGN-HSZRJFAPSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036017335 554136589 /nfs/dbraw/zinc/13/65/89/554136589.db2.gz CIKYXJSEMMUVIM-QHCPKHFHSA-N 0 0 517.627 2.344 50 0 KEAARN CCNC(=O)N1CCCN(CC2=C(C(=O)OCC)[C@@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036017337 554136560 /nfs/dbraw/zinc/13/65/60/554136560.db2.gz CIKYXJSEMMUVIM-HSZRJFAPSA-N 0 0 517.627 2.344 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)C(C)C)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000036017552 554136943 /nfs/dbraw/zinc/13/69/43/554136943.db2.gz FXMWCJQAMZGHMM-QFIPXVFZSA-N 0 0 517.598 2.443 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)C(C)C)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000036017554 554136959 /nfs/dbraw/zinc/13/69/59/554136959.db2.gz FXMWCJQAMZGHMM-JOCHJYFZSA-N 0 0 517.598 2.443 50 0 KEAARN CCn1c(C)c(C(=O)CN(CCN2CCOCC2)S(=O)(=O)c2ccc(OC)cc2)c(C)c1C(=O)OC ZINC000036018972 554137217 /nfs/dbraw/zinc/13/72/17/554137217.db2.gz XBRHQNJCHXCFGO-UHFFFAOYSA-N 0 0 521.636 2.126 50 0 KEAARN CC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C(=O)N2CCOCC2)CC1 ZINC000036019545 554138780 /nfs/dbraw/zinc/13/87/80/554138780.db2.gz JWYPJIMEQIXBDU-UHFFFAOYSA-N 0 0 523.590 2.380 50 0 KEAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000036019661 554139367 /nfs/dbraw/zinc/13/93/67/554139367.db2.gz DJQQDWXMURXYJM-UHFFFAOYSA-N 0 0 512.632 2.327 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)CC1 ZINC000036020956 554139600 /nfs/dbraw/zinc/13/96/00/554139600.db2.gz PKKYGMIQIPGILQ-QFIPXVFZSA-N 0 0 515.607 2.067 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)CC1 ZINC000036020957 554139540 /nfs/dbraw/zinc/13/95/40/554139540.db2.gz PKKYGMIQIPGILQ-JOCHJYFZSA-N 0 0 515.607 2.067 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036021213 554139557 /nfs/dbraw/zinc/13/95/57/554139557.db2.gz VGXLVRPYEPQLGE-QHCPKHFHSA-N 0 0 517.627 2.344 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cc(OC)ccc3OC)NC(=O)N2CC)CC1 ZINC000036021215 554140020 /nfs/dbraw/zinc/14/00/20/554140020.db2.gz VGXLVRPYEPQLGE-HSZRJFAPSA-N 0 0 517.627 2.344 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(OC)c(OC)c3)NC(=O)N2CC)CC1 ZINC000036024720 554140211 /nfs/dbraw/zinc/14/02/11/554140211.db2.gz PQSMYPJZPGVXMV-QHCPKHFHSA-N 0 0 517.627 2.344 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)c(OC)c3)NC(=O)N2CC)CC1 ZINC000036024721 554140196 /nfs/dbraw/zinc/14/01/96/554140196.db2.gz PQSMYPJZPGVXMV-HSZRJFAPSA-N 0 0 517.627 2.344 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](C)C(=O)N3CCc2ccc(OC)c(OC)c2)cc1 ZINC000036027138 554140783 /nfs/dbraw/zinc/14/07/83/554140783.db2.gz QQGLKFNHUFXUGQ-GOSISDBHSA-N 0 0 503.621 2.256 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](C)C(=O)N3CCc2ccc(OC)c(OC)c2)cc1 ZINC000036027139 554140734 /nfs/dbraw/zinc/14/07/34/554140734.db2.gz QQGLKFNHUFXUGQ-SFHVURJKSA-N 0 0 503.621 2.256 50 0 KEAARN CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 ZINC000036028361 554141492 /nfs/dbraw/zinc/14/14/92/554141492.db2.gz NZIVXXWOCDTAPV-UHFFFAOYSA-N 0 0 512.680 2.062 50 0 KEAARN CCc1cc(N2CCN(C(C)=O)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)n1 ZINC000036028375 554141367 /nfs/dbraw/zinc/14/13/67/554141367.db2.gz RPRXVQFHRPOLTM-UHFFFAOYSA-N 0 0 510.664 2.304 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)CC(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030250 554142704 /nfs/dbraw/zinc/14/27/04/554142704.db2.gz OIINBBOFTLJFFV-UHFFFAOYSA-N 0 0 506.669 2.210 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036030251 554142788 /nfs/dbraw/zinc/14/27/88/554142788.db2.gz KGLKAISUCCQWIA-UHFFFAOYSA-N 0 0 526.659 2.478 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)CC(C)C)cnc1S(=O)(=O)Cc1cccc(OC)c1 ZINC000036030375 554143045 /nfs/dbraw/zinc/14/30/45/554143045.db2.gz VFTCPJDEDHEHAA-UHFFFAOYSA-N 0 0 536.695 2.219 50 0 KEAARN O=C(C1CC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000036030644 554143743 /nfs/dbraw/zinc/14/37/43/554143743.db2.gz AOKSFQZIVPJZEH-QHCPKHFHSA-N 0 0 534.654 2.246 50 0 KEAARN O=C(C1CC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000036030645 554143842 /nfs/dbraw/zinc/14/38/42/554143842.db2.gz AOKSFQZIVPJZEH-HSZRJFAPSA-N 0 0 534.654 2.246 50 0 KEAARN CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000036030802 554144290 /nfs/dbraw/zinc/14/42/90/554144290.db2.gz PDTUXDXMOVVLSF-DEOSSOPVSA-N 0 0 536.670 2.492 50 0 KEAARN CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000036030803 554144343 /nfs/dbraw/zinc/14/43/43/554144343.db2.gz PDTUXDXMOVVLSF-XMMPIXPASA-N 0 0 536.670 2.492 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)NC(C)(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000036031470 554144924 /nfs/dbraw/zinc/14/49/24/554144924.db2.gz RNNZVTQNKWCDSB-UHFFFAOYSA-N 0 0 521.684 2.146 50 0 KEAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)S(=O)(=O)c1ccccc1 ZINC000036032417 554145969 /nfs/dbraw/zinc/14/59/69/554145969.db2.gz CVXFMKCQWOWZHS-UHFFFAOYSA-N 0 0 507.634 2.341 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)C(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039911 554147784 /nfs/dbraw/zinc/14/77/84/554147784.db2.gz JOGOTUZPPACOHX-UHFFFAOYSA-N 0 0 527.087 2.474 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)C2CC2)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000036039912 554147866 /nfs/dbraw/zinc/14/78/66/554147866.db2.gz IRBKJRAASNYLAL-UHFFFAOYSA-N 0 0 525.071 2.228 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC ZINC000036040522 554149534 /nfs/dbraw/zinc/14/95/34/554149534.db2.gz ANGYNLCUABVHNR-UHFFFAOYSA-N 0 0 528.075 2.021 50 0 KEAARN CCNC(=S)N(CCN(C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1CCOC ZINC000036040670 554149875 /nfs/dbraw/zinc/14/98/75/554149875.db2.gz WELMBIQYQBJKJI-UHFFFAOYSA-N 0 0 502.106 2.415 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)C(C)C)cnc1S(=O)(=O)Cc1ccc(C)cc1 ZINC000036042578 554151341 /nfs/dbraw/zinc/15/13/41/554151341.db2.gz ABZHQPKYMJWTTD-UHFFFAOYSA-N 0 0 506.669 2.129 50 0 KEAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044174 554152092 /nfs/dbraw/zinc/15/20/92/554152092.db2.gz CXZPTRXYICBRGQ-RTBURBONSA-N 0 0 500.548 2.450 50 0 KEAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044175 554152132 /nfs/dbraw/zinc/15/21/32/554152132.db2.gz CXZPTRXYICBRGQ-MOPGFXCFSA-N 0 0 500.548 2.450 50 0 KEAARN COCCCNC(=O)[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044176 554152080 /nfs/dbraw/zinc/15/20/80/554152080.db2.gz CXZPTRXYICBRGQ-RBUKOAKNSA-N 0 0 500.548 2.450 50 0 KEAARN COCCCNC(=O)[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036044177 554152167 /nfs/dbraw/zinc/15/21/67/554152167.db2.gz CXZPTRXYICBRGQ-OALUTQOASA-N 0 0 500.548 2.450 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccs1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061687 554161762 /nfs/dbraw/zinc/16/17/62/554161762.db2.gz DGBDZMAASSRBIX-UHFFFAOYSA-N 0 0 520.659 2.328 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccccc1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061689 554161730 /nfs/dbraw/zinc/16/17/30/554161730.db2.gz POIQHFDNZFECHA-UHFFFAOYSA-N 0 0 514.630 2.267 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)c1cccc(F)c1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061692 554161738 /nfs/dbraw/zinc/16/17/38/554161738.db2.gz DFOYXJLAOKKIPV-UHFFFAOYSA-N 0 0 532.620 2.406 50 0 KEAARN O=C(Cc1ccccc1)N(CCN1CCOCC1)CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036061693 554161757 /nfs/dbraw/zinc/16/17/57/554161757.db2.gz YWOTVBMIXNMTQP-UHFFFAOYSA-N 0 0 528.657 2.196 50 0 KEAARN CC(=O)N1CCN(C(=O)c2cccc(CSc3nc(C)c(C)c(N4CCN(C(C)=O)CC4)n3)c2)CC1 ZINC000036063026 554162238 /nfs/dbraw/zinc/16/22/38/554162238.db2.gz JNUFTCJWYOEYCL-UHFFFAOYSA-N 0 0 510.664 2.359 50 0 KEAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccco4)CC3)nn2)cc1 ZINC000036069384 554166095 /nfs/dbraw/zinc/16/60/95/554166095.db2.gz SYPZOTMRGYMLAD-UHFFFAOYSA-N 0 0 518.618 2.168 50 0 KEAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036069389 554166104 /nfs/dbraw/zinc/16/61/04/554166104.db2.gz PAOSJDPICZBWCR-UHFFFAOYSA-N 0 0 506.651 2.062 50 0 KEAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)cc1 ZINC000036069391 554166351 /nfs/dbraw/zinc/16/63/51/554166351.db2.gz OQHKMFUVSSYIRX-UHFFFAOYSA-N 0 0 508.667 2.308 50 0 KEAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)C4CCC4)CC3)nn2)cc1 ZINC000036069979 554166887 /nfs/dbraw/zinc/16/68/87/554166887.db2.gz CWVBDHNWWOXQKS-UHFFFAOYSA-N 0 0 520.678 2.452 50 0 KEAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)C4CC4)CC3)nn2)cc1 ZINC000036069987 554166958 /nfs/dbraw/zinc/16/69/58/554166958.db2.gz XMERGSSJLFODJK-UHFFFAOYSA-N 0 0 506.651 2.062 50 0 KEAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccco1 ZINC000036070238 554167051 /nfs/dbraw/zinc/16/70/51/554167051.db2.gz RCPQDRQYMCTXBK-UHFFFAOYSA-N 0 0 509.563 2.191 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)C(C)C)CC3)nn2)c(OC)c1 ZINC000036070324 554167129 /nfs/dbraw/zinc/16/71/29/554167129.db2.gz KXEPJTRZWJLVCL-NRFANRHFSA-N 0 0 511.623 2.473 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)C(C)C)CC3)nn2)c(OC)c1 ZINC000036070326 554167134 /nfs/dbraw/zinc/16/71/34/554167134.db2.gz KXEPJTRZWJLVCL-OAQYLSRUSA-N 0 0 511.623 2.473 50 0 KEAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)NC(C)(C)C)CC3)nn2)cc1 ZINC000036070364 554167124 /nfs/dbraw/zinc/16/71/24/554167124.db2.gz JBARPDJJDIAJPC-UHFFFAOYSA-N 0 0 523.682 2.243 50 0 KEAARN Cc1ccc(-c2ccc(N3CCCN(C(=O)CN(CCN4CCOCC4)C(=O)NC(C)C)CC3)nn2)cc1 ZINC000036070406 554167411 /nfs/dbraw/zinc/16/74/11/554167411.db2.gz YVMWWDKUJGWMER-UHFFFAOYSA-N 0 0 523.682 2.243 50 0 KEAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccco1 ZINC000036072775 554170325 /nfs/dbraw/zinc/17/03/25/554170325.db2.gz LKKOFWXSWFAUDJ-UHFFFAOYSA-N 0 0 509.563 2.191 50 0 KEAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)Cc1ccccc1 ZINC000036072796 554170296 /nfs/dbraw/zinc/17/02/96/554170296.db2.gz MNOORQHGSZMJTE-UHFFFAOYSA-N 0 0 519.602 2.485 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)C4CC4)CC3)nn2)cc1OC ZINC000036072879 554170879 /nfs/dbraw/zinc/17/08/79/554170879.db2.gz QOGLWYCNEFKXGQ-NRFANRHFSA-N 0 0 509.607 2.227 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)C4CC4)CC3)nn2)cc1OC ZINC000036072880 554170839 /nfs/dbraw/zinc/17/08/39/554170839.db2.gz QOGLWYCNEFKXGQ-OAQYLSRUSA-N 0 0 509.607 2.227 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)NC(C)C)CC3)nn2)cc1OC ZINC000036073011 554171161 /nfs/dbraw/zinc/17/11/61/554171161.db2.gz QZOFWTFNMKTISA-NRFANRHFSA-N 0 0 526.638 2.408 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)NC(C)C)CC3)nn2)cc1OC ZINC000036073012 554171151 /nfs/dbraw/zinc/17/11/51/554171151.db2.gz QZOFWTFNMKTISA-OAQYLSRUSA-N 0 0 526.638 2.408 50 0 KEAARN CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C[C@@H]1CCCO1 ZINC000036073013 554171143 /nfs/dbraw/zinc/17/11/43/554171143.db2.gz VPDUJFLWSSVQSO-NRFANRHFSA-N 0 0 526.638 2.410 50 0 KEAARN CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C[C@H]1CCCO1 ZINC000036073014 554171137 /nfs/dbraw/zinc/17/11/37/554171137.db2.gz VPDUJFLWSSVQSO-OAQYLSRUSA-N 0 0 526.638 2.410 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036073115 554171114 /nfs/dbraw/zinc/17/11/14/554171114.db2.gz SGTWYNWSLGTWQQ-UHFFFAOYSA-N 0 0 518.618 2.250 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036073118 554171183 /nfs/dbraw/zinc/17/11/83/554171183.db2.gz HHRHECPVFDXUIO-UHFFFAOYSA-N 0 0 506.651 2.143 50 0 KEAARN CC(C)CC(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036073119 554171079 /nfs/dbraw/zinc/17/10/79/554171079.db2.gz ZINJMYYWOKJFAY-UHFFFAOYSA-N 0 0 508.667 2.389 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)c1 ZINC000036073866 554172155 /nfs/dbraw/zinc/17/21/55/554172155.db2.gz WCYCADSILCMBGJ-UHFFFAOYSA-N 0 0 524.666 2.008 50 0 KEAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000036074258 554173483 /nfs/dbraw/zinc/17/34/83/554173483.db2.gz AMUDBZYOCSWNPL-UHFFFAOYSA-N 0 0 515.058 2.262 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2coc(CN(CCN3CCOCC3)Cc3cccc(OC)c3)n2)CC1 ZINC000036082840 554174965 /nfs/dbraw/zinc/17/49/65/554174965.db2.gz ZWCGJHBYPXSOLW-UHFFFAOYSA-N 0 0 514.623 2.433 50 0 KEAARN CC(C)C(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083186 554174911 /nfs/dbraw/zinc/17/49/11/554174911.db2.gz YIMIOVUDYNRNPS-UHFFFAOYSA-N 0 0 512.630 2.138 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)C1CCC1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083187 554175031 /nfs/dbraw/zinc/17/50/31/554175031.db2.gz ITRKPPKFTVEJJZ-UHFFFAOYSA-N 0 0 524.641 2.282 50 0 KEAARN CC(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000036083316 554175483 /nfs/dbraw/zinc/17/54/83/554175483.db2.gz ZXZWVRRVJFDCOQ-UHFFFAOYSA-N 0 0 527.645 2.074 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036085361 554175950 /nfs/dbraw/zinc/17/59/50/554175950.db2.gz GUXNMTPAMPQWPF-GOSISDBHSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036085362 554175934 /nfs/dbraw/zinc/17/59/34/554175934.db2.gz GUXNMTPAMPQWPF-SFHVURJKSA-N 0 0 510.522 2.006 50 0 KEAARN Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1C ZINC000036086309 554176158 /nfs/dbraw/zinc/17/61/58/554176158.db2.gz UVNQVENGBWHLTC-UHFFFAOYSA-N 0 0 501.509 2.466 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000036086448 554176500 /nfs/dbraw/zinc/17/65/00/554176500.db2.gz DAEBVVGGKQFGIP-UHFFFAOYSA-N 0 0 520.586 2.483 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036086449 554176473 /nfs/dbraw/zinc/17/64/73/554176473.db2.gz JPTXNBFEVPYCHH-OAQYLSRUSA-N 0 0 520.586 2.483 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036086450 554176528 /nfs/dbraw/zinc/17/65/28/554176528.db2.gz JPTXNBFEVPYCHH-NRFANRHFSA-N 0 0 520.586 2.483 50 0 KEAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1 ZINC000036086616 554176453 /nfs/dbraw/zinc/17/64/53/554176453.db2.gz ZKSQFDNZLJAWCY-UHFFFAOYSA-N 0 0 515.492 2.074 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000036086739 554176537 /nfs/dbraw/zinc/17/65/37/554176537.db2.gz BGLBVEUZWKRCJL-UHFFFAOYSA-N 0 0 506.559 2.175 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036086741 554176531 /nfs/dbraw/zinc/17/65/31/554176531.db2.gz RWNXNDKBEWCSBD-HXUWFJFHSA-N 0 0 506.559 2.175 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036086742 554176480 /nfs/dbraw/zinc/17/64/80/554176480.db2.gz RWNXNDKBEWCSBD-FQEVSTJZSA-N 0 0 506.559 2.175 50 0 KEAARN CC(=O)N1CCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1 ZINC000036086907 554176712 /nfs/dbraw/zinc/17/67/12/554176712.db2.gz UBFJTBUYOARBTQ-UHFFFAOYSA-N 0 0 515.492 2.074 50 0 KEAARN CC(=O)N1CCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)CC1 ZINC000036087074 554176774 /nfs/dbraw/zinc/17/67/74/554176774.db2.gz YDRDRHYMZBLWSF-UHFFFAOYSA-N 0 0 515.492 2.074 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000036087172 554176725 /nfs/dbraw/zinc/17/67/25/554176725.db2.gz BOADPZMZBDROOE-UHFFFAOYSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)C1 ZINC000036087176 554176728 /nfs/dbraw/zinc/17/67/28/554176728.db2.gz WXPXMXXSSXRTGI-GOSISDBHSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)C1 ZINC000036087179 554176767 /nfs/dbraw/zinc/17/67/67/554176767.db2.gz WXPXMXXSSXRTGI-SFHVURJKSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccccc3F)c2=O)CC1 ZINC000036087192 554176759 /nfs/dbraw/zinc/17/67/59/554176759.db2.gz PGTVLPFRFKNAAY-UHFFFAOYSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000036087194 554176736 /nfs/dbraw/zinc/17/67/36/554176736.db2.gz MTALTDYXUWYSJX-GOSISDBHSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccccc3F)c2=O)C1 ZINC000036087195 554176689 /nfs/dbraw/zinc/17/66/89/554176689.db2.gz MTALTDYXUWYSJX-SFHVURJKSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccccc3C)c2=O)C1 ZINC000036087243 554176685 /nfs/dbraw/zinc/17/66/85/554176685.db2.gz LCSOIRSYYAGHBT-HXUWFJFHSA-N 0 0 506.559 2.175 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3ccccc3C)c2=O)C1 ZINC000036087244 554176748 /nfs/dbraw/zinc/17/67/48/554176748.db2.gz LCSOIRSYYAGHBT-FQEVSTJZSA-N 0 0 506.559 2.175 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3cccc(F)c3)c2=O)C1 ZINC000036087270 554176740 /nfs/dbraw/zinc/17/67/40/554176740.db2.gz XLVADADZJHDPAO-GOSISDBHSA-N 0 0 510.522 2.006 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)n(Cc3cccc(F)c3)c2=O)C1 ZINC000036087272 554176702 /nfs/dbraw/zinc/17/67/02/554176702.db2.gz XLVADADZJHDPAO-SFHVURJKSA-N 0 0 510.522 2.006 50 0 KEAARN COc1cccc(Cn2c(=O)c(C(=O)NC[C@@H]3CCCO3)nn(-c3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000036087657 554176861 /nfs/dbraw/zinc/17/68/61/554176861.db2.gz PYRSJROYMPTCKI-IBGZPJMESA-N 0 0 504.465 2.379 50 0 KEAARN COc1cccc(Cn2c(=O)c(C(=O)NC[C@H]3CCCO3)nn(-c3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000036087658 554176920 /nfs/dbraw/zinc/17/69/20/554176920.db2.gz PYRSJROYMPTCKI-LJQANCHMSA-N 0 0 504.465 2.379 50 0 KEAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccc4c(c3)OCO4)nn(-c3cccc(OC)c3)c2=O)c1 ZINC000036087721 554176929 /nfs/dbraw/zinc/17/69/29/554176929.db2.gz WKZAAVWWLHVRLA-UHFFFAOYSA-N 0 0 516.510 2.118 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCc3ccccn3)c(=O)n(Cc3cccc(Cl)c3)c2=O)cc1OC ZINC000036088220 554177138 /nfs/dbraw/zinc/17/71/38/554177138.db2.gz LZWZNXXLPSEZFF-UHFFFAOYSA-N 0 0 507.934 2.438 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCCc3ccccn3)c(=O)n(Cc3ccccc3C)c2=O)cc1OC ZINC000036088225 554177115 /nfs/dbraw/zinc/17/71/15/554177115.db2.gz RDKXWMXAIBJGOX-UHFFFAOYSA-N 0 0 501.543 2.136 50 0 KEAARN COc1cccc(Cn2c(=O)c(C(=O)NCc3ccccc3)nn(-c3ccc(OC)c(OC)c3)c2=O)c1 ZINC000036088279 554177084 /nfs/dbraw/zinc/17/70/84/554177084.db2.gz AIIACOFBACXHKI-UHFFFAOYSA-N 0 0 502.527 2.398 50 0 KEAARN COCCCNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000036088315 554177403 /nfs/dbraw/zinc/17/74/03/554177403.db2.gz SRCWSLHEALGJQZ-UHFFFAOYSA-N 0 0 522.480 2.245 50 0 KEAARN COc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1OC ZINC000036088335 554177362 /nfs/dbraw/zinc/17/73/62/554177362.db2.gz COUZYVMOJCGOMV-KRWDZBQOSA-N 0 0 500.939 2.022 50 0 KEAARN COc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1OC ZINC000036088337 554177335 /nfs/dbraw/zinc/17/73/35/554177335.db2.gz COUZYVMOJCGOMV-QGZVFWFLSA-N 0 0 500.939 2.022 50 0 KEAARN Cc1ccc(-n2nc(C(=O)NCCN3CCOCC3)c(=O)n(Cc3ccccc3Cl)c2=O)cc1Cl ZINC000036089347 554177356 /nfs/dbraw/zinc/17/73/56/554177356.db2.gz MXTJZKOHSMKVCO-UHFFFAOYSA-N 0 0 518.401 2.120 50 0 KEAARN COc1cc(C)c(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)cc1C ZINC000036091238 554177611 /nfs/dbraw/zinc/17/76/11/554177611.db2.gz DEKYXYUMJXSHQO-UHFFFAOYSA-N 0 0 525.693 2.222 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000036092144 554177556 /nfs/dbraw/zinc/17/75/56/554177556.db2.gz BGXVQPAACRZHSG-ABPVARSCSA-N 0 0 516.406 2.169 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(Cl)cc3)sc2=C(C(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000036092145 554177638 /nfs/dbraw/zinc/17/76/38/554177638.db2.gz BGXVQPAACRZHSG-YTBHAWNYSA-N 0 0 516.406 2.169 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000036092223 554177561 /nfs/dbraw/zinc/17/75/61/554177561.db2.gz FDIFCYUDSJYPIC-UHFFFAOYSA-N 0 0 502.618 2.426 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3cc(C)cc(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)CC1 ZINC000036094101 554177914 /nfs/dbraw/zinc/17/79/14/554177914.db2.gz HZRFOMVAZCUQCS-UHFFFAOYSA-N 0 0 520.586 2.483 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3cc(C)cc(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036094103 554177977 /nfs/dbraw/zinc/17/79/77/554177977.db2.gz ZWAHGEJZHAFREH-OAQYLSRUSA-N 0 0 520.586 2.483 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3cc(C)cc(C)c3)c(=O)n(Cc3cccc(OC)c3)c2=O)C1 ZINC000036094104 554178005 /nfs/dbraw/zinc/17/80/05/554178005.db2.gz ZWAHGEJZHAFREH-NRFANRHFSA-N 0 0 520.586 2.483 50 0 KEAARN O=C(N[C@H](C(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000036158560 554199214 /nfs/dbraw/zinc/19/92/14/554199214.db2.gz PAHDASARURYJTE-QFIPXVFZSA-N 0 0 506.024 2.398 50 0 KEAARN O=C(N[C@@H](C(=O)N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000036158563 554199221 /nfs/dbraw/zinc/19/92/21/554199221.db2.gz PAHDASARURYJTE-JOCHJYFZSA-N 0 0 506.024 2.398 50 0 KEAARN CCOC[C@H](O)CN(CCN1CCOCC1)Cc1nc(=O)c2c(-c3cccc(OC)c3)csc2[nH]1 ZINC000036206333 554201592 /nfs/dbraw/zinc/20/15/92/554201592.db2.gz MELGKTNVGFKJCK-LJQANCHMSA-N 0 0 502.637 2.192 50 0 KEAARN CCOC[C@@H](O)CN(CCN1CCOCC1)Cc1nc(=O)c2c(-c3cccc(OC)c3)csc2[nH]1 ZINC000036206334 554201462 /nfs/dbraw/zinc/20/14/62/554201462.db2.gz MELGKTNVGFKJCK-IBGZPJMESA-N 0 0 502.637 2.192 50 0 KEAARN COCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036210446 554203382 /nfs/dbraw/zinc/20/33/82/554203382.db2.gz CXWXMZXYLNASRI-XMMPIXPASA-N 0 0 511.575 2.227 50 0 KEAARN COCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000036210447 554203375 /nfs/dbraw/zinc/20/33/75/554203375.db2.gz CXWXMZXYLNASRI-DEOSSOPVSA-N 0 0 511.575 2.227 50 0 KEAARN O=C(CCc1ccccc1)N1CCC([C@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1 ZINC000036211709 554203903 /nfs/dbraw/zinc/20/39/03/554203903.db2.gz UFSXXOSDLLSYRS-SANMLTNESA-N 0 0 507.587 2.244 50 0 KEAARN O=C(CCc1ccccc1)N1CCC([C@@H](NC(=O)c2ccc3c(c2)OCO3)C(=O)N2CCOCC2)CC1 ZINC000036211710 554203940 /nfs/dbraw/zinc/20/39/40/554203940.db2.gz UFSXXOSDLLSYRS-AREMUKBSSA-N 0 0 507.587 2.244 50 0 KEAARN COCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214746 554205443 /nfs/dbraw/zinc/20/54/43/554205443.db2.gz LBWUQLYNSSMTPP-LJQANCHMSA-N 0 0 500.042 2.363 50 0 KEAARN COCCNC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214748 554205512 /nfs/dbraw/zinc/20/55/12/554205512.db2.gz LBWUQLYNSSMTPP-IBGZPJMESA-N 0 0 500.042 2.363 50 0 KEAARN COCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214832 554205675 /nfs/dbraw/zinc/20/56/75/554205675.db2.gz CWTCRLFEUWBSLI-JOCHJYFZSA-N 0 0 524.039 2.311 50 0 KEAARN COCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214833 554205690 /nfs/dbraw/zinc/20/56/90/554205690.db2.gz CWTCRLFEUWBSLI-QFIPXVFZSA-N 0 0 524.039 2.311 50 0 KEAARN COCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036214853 554205608 /nfs/dbraw/zinc/20/56/08/554205608.db2.gz WHSHAJUNNXUVON-DEOSSOPVSA-N 0 0 517.648 2.356 50 0 KEAARN COCCCNC(=O)[C@H](NC(=O)c1ccc(OC)cc1)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036214855 554205618 /nfs/dbraw/zinc/20/56/18/554205618.db2.gz WHSHAJUNNXUVON-XMMPIXPASA-N 0 0 517.648 2.356 50 0 KEAARN COCCCNC(=O)[C@@H](NC(=O)c1ccccc1C)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036214874 554205661 /nfs/dbraw/zinc/20/56/61/554205661.db2.gz PKNVXULYDGHPHT-DEOSSOPVSA-N 0 0 517.648 2.356 50 0 KEAARN COCCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036214876 554205614 /nfs/dbraw/zinc/20/56/14/554205614.db2.gz PKNVXULYDGHPHT-XMMPIXPASA-N 0 0 517.648 2.356 50 0 KEAARN COCCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214907 554205949 /nfs/dbraw/zinc/20/59/49/554205949.db2.gz OSCLNBQFODSNSP-JOCHJYFZSA-N 0 0 524.039 2.311 50 0 KEAARN COCCNC(=O)[C@@H](NC(=O)c1cccc(OC)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036214909 554205982 /nfs/dbraw/zinc/20/59/82/554205982.db2.gz OSCLNBQFODSNSP-QFIPXVFZSA-N 0 0 524.039 2.311 50 0 KEAARN CCN(CC)C(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036214939 554205962 /nfs/dbraw/zinc/20/59/62/554205962.db2.gz STBBIMCZPYGEIA-XMMPIXPASA-N 0 0 531.631 2.492 50 0 KEAARN CCN(CC)C(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036214941 554205954 /nfs/dbraw/zinc/20/59/54/554205954.db2.gz STBBIMCZPYGEIA-DEOSSOPVSA-N 0 0 531.631 2.492 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)NCC(C)C)CC2)cc1 ZINC000036214950 554206011 /nfs/dbraw/zinc/20/60/11/554206011.db2.gz DVJUNJPXZOZAEH-XMMPIXPASA-N 0 0 531.631 2.395 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)NCC(C)C)CC2)cc1 ZINC000036214952 554205974 /nfs/dbraw/zinc/20/59/74/554205974.db2.gz DVJUNJPXZOZAEH-DEOSSOPVSA-N 0 0 531.631 2.395 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)NC(C)C)CC2)cc1 ZINC000036214960 554205951 /nfs/dbraw/zinc/20/59/51/554205951.db2.gz MPUWTZOKLFUSDG-QHCPKHFHSA-N 0 0 501.605 2.448 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)NC(C)C)CC2)cc1 ZINC000036214962 554206001 /nfs/dbraw/zinc/20/60/01/554206001.db2.gz MPUWTZOKLFUSDG-HSZRJFAPSA-N 0 0 501.605 2.448 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)NC(C)C)CC2)cc1 ZINC000036214964 554205959 /nfs/dbraw/zinc/20/59/59/554205959.db2.gz WWWNNEBFZLYTAO-HSZRJFAPSA-N 0 0 517.604 2.148 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccc4c(c3)OCO4)C(=O)NC(C)C)CC2)cc1 ZINC000036214966 554205994 /nfs/dbraw/zinc/20/59/94/554205994.db2.gz WWWNNEBFZLYTAO-QHCPKHFHSA-N 0 0 517.604 2.148 50 0 KEAARN CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036214986 554206261 /nfs/dbraw/zinc/20/62/61/554206261.db2.gz XWMNGGPVXYJBDI-HSZRJFAPSA-N 0 0 501.605 2.449 50 0 KEAARN CCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000036214987 554206216 /nfs/dbraw/zinc/20/62/16/554206216.db2.gz XWMNGGPVXYJBDI-QHCPKHFHSA-N 0 0 501.605 2.449 50 0 KEAARN CCCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036214989 554206252 /nfs/dbraw/zinc/20/62/52/554206252.db2.gz CFTKCQNNTYKXJK-HSZRJFAPSA-N 0 0 517.604 2.149 50 0 KEAARN CCCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036214991 554206210 /nfs/dbraw/zinc/20/62/10/554206210.db2.gz CFTKCQNNTYKXJK-QHCPKHFHSA-N 0 0 517.604 2.149 50 0 KEAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@H](C(=O)NCCCN2CCOCC2)C2CCCC2)CC1 ZINC000036256024 554211089 /nfs/dbraw/zinc/21/10/89/554211089.db2.gz KJLDACJNFGXGQR-VWLOTQADSA-N 0 0 507.075 2.260 50 0 KEAARN O=C(COc1ccc(Cl)cc1)N1CCN([C@@H](C(=O)NCCCN2CCOCC2)C2CCCC2)CC1 ZINC000036256027 554210927 /nfs/dbraw/zinc/21/09/27/554210927.db2.gz KJLDACJNFGXGQR-RUZDIDTESA-N 0 0 507.075 2.260 50 0 KEAARN COc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(OC)c(C)c3C)CC2)c(C)c1C ZINC000036370370 554224221 /nfs/dbraw/zinc/22/42/21/554224221.db2.gz QVCBYDCUNYCRKV-UHFFFAOYSA-N 0 0 525.693 2.222 50 0 KEAARN COC(=O)c1cc(-c2ccc(OC)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)n1 ZINC000036390460 554224686 /nfs/dbraw/zinc/22/46/86/554224686.db2.gz LFGZJNKUQWTDGH-UHFFFAOYSA-N 0 0 514.542 2.324 50 0 KEAARN Cc1ccccc1OCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1 ZINC000036393180 554224586 /nfs/dbraw/zinc/22/45/86/554224586.db2.gz HHAVMHKJOCYCGD-UHFFFAOYSA-N 0 0 502.637 2.175 50 0 KEAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C2=O)cc1OC ZINC000037187917 554230829 /nfs/dbraw/zinc/23/08/29/554230829.db2.gz JTJKOYLTVGCCAK-JBEBIEQOSA-N 0 0 501.561 2.064 50 0 KEAARN Nc1c2c(nn1-c1ccccc1)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1cccs1 ZINC000037358800 554235076 /nfs/dbraw/zinc/23/50/76/554235076.db2.gz DNTKBMYXTYYRQO-UHFFFAOYSA-N 0 0 504.620 2.107 50 0 KEAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000037361102 554235066 /nfs/dbraw/zinc/23/50/66/554235066.db2.gz VMRNWRIMEHKGED-UHFFFAOYSA-N 0 0 530.608 2.244 50 0 KEAARN O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)NCCN1CCOCC1 ZINC000037383008 554238066 /nfs/dbraw/zinc/23/80/66/554238066.db2.gz LNXCWILRSIBLJG-UHFFFAOYSA-N 0 0 522.650 2.257 50 0 KEAARN CC(=O)N1CCN(C(=O)[C@H](C)N2C(=O)COc3ccc(C(=O)COc4ccc(F)c(F)c4)cc32)CC1 ZINC000037511684 554249639 /nfs/dbraw/zinc/24/96/39/554249639.db2.gz YAYFDIPNWYPOBU-HNNXBMFYSA-N 0 0 501.486 2.031 50 0 KEAARN CC(=O)N1CCN(C(=O)[C@@H](C)N2C(=O)COc3ccc(C(=O)COc4ccc(F)c(F)c4)cc32)CC1 ZINC000037511685 554249546 /nfs/dbraw/zinc/24/95/46/554249546.db2.gz YAYFDIPNWYPOBU-OAHLLOKOSA-N 0 0 501.486 2.031 50 0 KEAARN Cc1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCOCC2)C(=O)CO3)c(Cl)c1 ZINC000037512013 554249630 /nfs/dbraw/zinc/24/96/30/554249630.db2.gz CAULCLPGRNFSAS-UHFFFAOYSA-N 0 0 501.967 2.084 50 0 KEAARN CC(C)(C)c1ccc(OCC(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCOCC2)C(=O)CO3)cc1 ZINC000037512034 554249642 /nfs/dbraw/zinc/24/96/42/554249642.db2.gz WASGANQHTGFYBI-UHFFFAOYSA-N 0 0 509.603 2.420 50 0 KEAARN Cc1ccc(Cl)c(OCC(=O)c2ccc3c(c2)N(CC(=O)NCCN2CCOCC2)C(=O)CO3)c1 ZINC000037512096 554249571 /nfs/dbraw/zinc/24/95/71/554249571.db2.gz VUUHQOYBSHTJOF-UHFFFAOYSA-N 0 0 501.967 2.084 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(OC)cc4)cc32)C1 ZINC000037512788 554249822 /nfs/dbraw/zinc/24/98/22/554249822.db2.gz FRYWPLSSLRMFBK-LJQANCHMSA-N 0 0 510.543 2.484 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccc(OC)cc4)cc32)C1 ZINC000037512789 554249806 /nfs/dbraw/zinc/24/98/06/554249806.db2.gz FRYWPLSSLRMFBK-IBGZPJMESA-N 0 0 510.543 2.484 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cccc(OC)c4)cc32)C1 ZINC000037512972 554249800 /nfs/dbraw/zinc/24/98/00/554249800.db2.gz ZNZKIITYDTWYQF-LJQANCHMSA-N 0 0 510.543 2.484 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4cccc(OC)c4)cc32)C1 ZINC000037512973 554249841 /nfs/dbraw/zinc/24/98/41/554249841.db2.gz ZNZKIITYDTWYQF-IBGZPJMESA-N 0 0 510.543 2.484 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccccc4OC)cc32)C1 ZINC000037512988 554249826 /nfs/dbraw/zinc/24/98/26/554249826.db2.gz IRQYELWNNZTGSN-LJQANCHMSA-N 0 0 510.543 2.484 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(C(=O)COc4ccccc4OC)cc32)C1 ZINC000037512989 554249747 /nfs/dbraw/zinc/24/97/47/554249747.db2.gz IRQYELWNNZTGSN-IBGZPJMESA-N 0 0 510.543 2.484 50 0 KEAARN COc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)ncc1C(=O)NCCCN1CCOCC1 ZINC000037523957 554250075 /nfs/dbraw/zinc/25/00/75/554250075.db2.gz YSZNPDYDTANEIH-UHFFFAOYSA-N 0 0 508.545 2.283 50 0 KEAARN O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000037525645 554250645 /nfs/dbraw/zinc/25/06/45/554250645.db2.gz ASAKAYBDZHKCST-SANMLTNESA-N 0 0 504.631 2.478 50 0 KEAARN O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000037525646 554250612 /nfs/dbraw/zinc/25/06/12/554250612.db2.gz ASAKAYBDZHKCST-AREMUKBSSA-N 0 0 504.631 2.478 50 0 KEAARN O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2 ZINC000037574112 554251990 /nfs/dbraw/zinc/25/19/90/554251990.db2.gz RGKXVJSVOGQAIZ-UHFFFAOYSA-N 0 0 517.498 2.221 50 0 KEAARN CC[C@@H](C)N(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037576479 554252285 /nfs/dbraw/zinc/25/22/85/554252285.db2.gz XVWKLTDHGJZPII-OAQYLSRUSA-N 0 0 522.650 2.251 50 0 KEAARN CC[C@H](C)N(CCC(=O)N1CCN(C(C)=O)CC1)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000037576481 554252204 /nfs/dbraw/zinc/25/22/04/554252204.db2.gz XVWKLTDHGJZPII-NRFANRHFSA-N 0 0 522.650 2.251 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)CC1 ZINC000037577548 554252473 /nfs/dbraw/zinc/25/24/73/554252473.db2.gz UZAMEZNWDGCNBI-LJQANCHMSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)CC1 ZINC000037577550 554252484 /nfs/dbraw/zinc/25/24/84/554252484.db2.gz UZAMEZNWDGCNBI-IBGZPJMESA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037577670 554252510 /nfs/dbraw/zinc/25/25/10/554252510.db2.gz AJTANMPGJWNVQJ-TZIWHRDSSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037577672 554252497 /nfs/dbraw/zinc/25/24/97/554252497.db2.gz AJTANMPGJWNVQJ-CTNGQTDRSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037577675 554252507 /nfs/dbraw/zinc/25/25/07/554252507.db2.gz AJTANMPGJWNVQJ-PZJWPPBQSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037577677 554252471 /nfs/dbraw/zinc/25/24/71/554252471.db2.gz AJTANMPGJWNVQJ-FPOVZHCZSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2C)C3=O)CC1 ZINC000037577696 554252512 /nfs/dbraw/zinc/25/25/12/554252512.db2.gz FRAOUUGWBRAUCN-LJQANCHMSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2ccccc2C)C3=O)CC1 ZINC000037577698 554252523 /nfs/dbraw/zinc/25/25/23/554252523.db2.gz FRAOUUGWBRAUCN-IBGZPJMESA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000037577722 554252455 /nfs/dbraw/zinc/25/24/55/554252455.db2.gz FDPWYUKBUPCMER-LJQANCHMSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)C1CCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000037577724 554252456 /nfs/dbraw/zinc/25/24/56/554252456.db2.gz FDPWYUKBUPCMER-IBGZPJMESA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037577731 554252495 /nfs/dbraw/zinc/25/24/95/554252495.db2.gz OBQGOWZMJXYLMZ-TZIWHRDSSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037577734 554252457 /nfs/dbraw/zinc/25/24/57/554252457.db2.gz OBQGOWZMJXYLMZ-CTNGQTDRSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037577736 554252458 /nfs/dbraw/zinc/25/24/58/554252458.db2.gz OBQGOWZMJXYLMZ-PZJWPPBQSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037577738 554252500 /nfs/dbraw/zinc/25/25/00/554252500.db2.gz OBQGOWZMJXYLMZ-FPOVZHCZSA-N 0 0 509.607 2.158 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037578222 554252737 /nfs/dbraw/zinc/25/27/37/554252737.db2.gz UMZYUXGYQFJDFH-OAQYLSRUSA-N 0 0 509.607 2.111 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccc(C)cc2)C3=O)C1 ZINC000037578225 554252818 /nfs/dbraw/zinc/25/28/18/554252818.db2.gz UMZYUXGYQFJDFH-NRFANRHFSA-N 0 0 509.607 2.111 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037578248 554252762 /nfs/dbraw/zinc/25/27/62/554252762.db2.gz YGVFEUHTUVUALN-OAQYLSRUSA-N 0 0 509.607 2.159 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CCNC(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037578250 554252801 /nfs/dbraw/zinc/25/28/01/554252801.db2.gz YGVFEUHTUVUALN-NRFANRHFSA-N 0 0 509.607 2.159 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037578344 554252746 /nfs/dbraw/zinc/25/27/46/554252746.db2.gz RLJPWNSMUSOFKE-OAQYLSRUSA-N 0 0 509.607 2.111 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)C1 ZINC000037578346 554252765 /nfs/dbraw/zinc/25/27/65/554252765.db2.gz RLJPWNSMUSOFKE-NRFANRHFSA-N 0 0 509.607 2.111 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2C)C3=O)C1 ZINC000037578389 554252752 /nfs/dbraw/zinc/25/27/52/554252752.db2.gz VDXDDEVMMFXLQI-OAQYLSRUSA-N 0 0 509.607 2.111 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2C)C3=O)C1 ZINC000037578392 554252779 /nfs/dbraw/zinc/25/27/79/554252779.db2.gz VDXDDEVMMFXLQI-NRFANRHFSA-N 0 0 509.607 2.111 50 0 KEAARN CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cc3n(n2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000037578854 554252827 /nfs/dbraw/zinc/25/28/27/554252827.db2.gz CFPGJHYNUCPFED-UHFFFAOYSA-N 0 0 509.607 2.111 50 0 KEAARN COC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[nH]2)cc1 ZINC000038139076 554258914 /nfs/dbraw/zinc/25/89/14/554258914.db2.gz VCBAUPXIQAFEBZ-UHFFFAOYSA-N 0 0 522.337 2.477 50 0 KEAARN Cc1cc(NC(=O)CSc2nc(-c3ccc(Br)cc3)nc3c2c(=O)n(C)c(=O)n3C)no1 ZINC000038139085 554258882 /nfs/dbraw/zinc/25/88/82/554258882.db2.gz PLEFUTZXAJYFLQ-UHFFFAOYSA-N 0 0 517.365 2.484 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(C)C4)cc2)CC1 ZINC000038139091 554258902 /nfs/dbraw/zinc/25/89/02/554258902.db2.gz VQOJSWWPSRQZNU-UHFFFAOYSA-N 0 0 550.659 2.238 50 0 KEAARN CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCN(C(=O)OCC)CC4)cc3)c2C(N)=O)C1 ZINC000038139092 554258780 /nfs/dbraw/zinc/25/87/80/554258780.db2.gz CAQNUYDKCCHGRO-UHFFFAOYSA-N 0 0 563.702 2.330 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c2c1S(=O)(=O)N1CCN(C)CC1 ZINC000038139197 554259583 /nfs/dbraw/zinc/25/95/83/554259583.db2.gz XSZBWFYWEDVJBF-UHFFFAOYSA-N 0 0 529.566 2.360 50 0 KEAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(C)CC4)c3c2=O)cc1Cl ZINC000038139198 554259601 /nfs/dbraw/zinc/25/96/01/554259601.db2.gz NJWPCOUGSGMCRI-UHFFFAOYSA-N 0 0 526.040 2.003 50 0 KEAARN COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(C)CC4)c3c2=O)cc1Cl ZINC000038139200 554259616 /nfs/dbraw/zinc/25/96/16/554259616.db2.gz VMEUIJBGCBWVNO-UHFFFAOYSA-N 0 0 556.066 2.012 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c2c1S(=O)(=O)N1CCN(C)CC1 ZINC000038139201 554259581 /nfs/dbraw/zinc/25/95/81/554259581.db2.gz ZFQINIUNOPINPC-UHFFFAOYSA-N 0 0 529.566 2.360 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc(Br)cc3C)c(=O)c2c1S(=O)(=O)N1CCN(C)CC1 ZINC000038139202 554259604 /nfs/dbraw/zinc/25/96/04/554259604.db2.gz JKXMSMJYXFMRQX-UHFFFAOYSA-N 0 0 554.492 2.412 50 0 KEAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000038139247 554259986 /nfs/dbraw/zinc/25/99/86/554259986.db2.gz JRIPEFZRDXQEMV-UHFFFAOYSA-N 0 0 526.550 2.454 50 0 KEAARN COC(=O)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccc(F)cc4)CC2)[nH]c3=O)cc1 ZINC000038139249 554259843 /nfs/dbraw/zinc/25/98/43/554259843.db2.gz KBIGEQMBAYHNRX-UHFFFAOYSA-N 0 0 526.550 2.469 50 0 KEAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1nnn2Cc1ccc2c(c1)OCCO2 ZINC000038139252 554259961 /nfs/dbraw/zinc/25/99/61/554259961.db2.gz FDYDNIQKJZHTDU-UHFFFAOYSA-N 0 0 526.550 2.454 50 0 KEAARN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc2c1nnn2Cc1ccccc1F ZINC000038139255 554259981 /nfs/dbraw/zinc/25/99/81/554259981.db2.gz NXNJHFDEWLJCEC-UHFFFAOYSA-N 0 0 526.550 2.454 50 0 KEAARN CCCN(C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139391 554260392 /nfs/dbraw/zinc/26/03/92/554260392.db2.gz GMLXZECEHPGZPR-MHZLTWQESA-N 0 0 549.609 2.082 50 0 KEAARN CCCN(C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139394 554260480 /nfs/dbraw/zinc/26/04/80/554260480.db2.gz GMLXZECEHPGZPR-HHHXNRCGSA-N 0 0 549.609 2.082 50 0 KEAARN CCCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139409 554260447 /nfs/dbraw/zinc/26/04/47/554260447.db2.gz YTZPUEVOMMMXOX-UHFFFAOYSA-N 0 0 543.580 2.037 50 0 KEAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000038139411 554260412 /nfs/dbraw/zinc/26/04/12/554260412.db2.gz BOTAWEQKQQMSQE-UHFFFAOYSA-N 0 0 522.933 2.056 50 0 KEAARN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC(C(N)=O)CC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000038139416 554260430 /nfs/dbraw/zinc/26/04/30/554260430.db2.gz UIBAXUQHEAGGBZ-UHFFFAOYSA-N 0 0 546.049 2.300 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c(=O)[nH]c1=O ZINC000038139419 554260378 /nfs/dbraw/zinc/26/03/78/554260378.db2.gz IEWMADCIIXIHDD-UHFFFAOYSA-N 0 0 543.646 2.346 50 0 KEAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000038139435 554260408 /nfs/dbraw/zinc/26/04/08/554260408.db2.gz WXOKVBSQOMGNDJ-UHFFFAOYSA-N 0 0 546.465 2.086 50 0 KEAARN O=C(COC(=O)c1cccc(Br)c1)NCCNC(=O)COC(=O)c1cccc(Br)c1 ZINC000038139480 554260621 /nfs/dbraw/zinc/26/06/21/554260621.db2.gz CYWXZVHEPRTPHM-UHFFFAOYSA-N 0 0 542.180 2.458 50 0 KEAARN COc1cc(SC)ccc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1ccc(SC)cc1OC ZINC000038139482 554260625 /nfs/dbraw/zinc/26/06/25/554260625.db2.gz JRSGFLIODNYUGT-UHFFFAOYSA-N 0 0 536.628 2.394 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)NCc1ccc(OC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038139489 554260623 /nfs/dbraw/zinc/26/06/23/554260623.db2.gz CQQGOQVNBABHLD-UHFFFAOYSA-N 0 0 545.637 2.091 50 0 KEAARN CCc1ccc(-c2nc(SCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n[nH]2)cc1 ZINC000038139532 554260885 /nfs/dbraw/zinc/26/08/85/554260885.db2.gz SPDQUIFRDJYCPZ-UHFFFAOYSA-N 0 0 535.630 2.286 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000038139639 554261190 /nfs/dbraw/zinc/26/11/90/554261190.db2.gz HJSRPDTVFDLQRA-HXUWFJFHSA-N 0 0 543.665 2.406 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)c(=O)[nH]c1=O ZINC000038139641 554261150 /nfs/dbraw/zinc/26/11/50/554261150.db2.gz HJSRPDTVFDLQRA-FQEVSTJZSA-N 0 0 543.665 2.406 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O ZINC000038139643 554261186 /nfs/dbraw/zinc/26/11/86/554261186.db2.gz OECFEPURMQAXGH-UHFFFAOYSA-N 0 0 543.646 2.346 50 0 KEAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1=O ZINC000038139653 554261184 /nfs/dbraw/zinc/26/11/84/554261184.db2.gz QCIQWBHAVSWBEV-SANMLTNESA-N 0 0 544.630 2.291 50 0 KEAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)C1=O ZINC000038139655 554261104 /nfs/dbraw/zinc/26/11/04/554261104.db2.gz QCIQWBHAVSWBEV-AREMUKBSSA-N 0 0 544.630 2.291 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139865 554261736 /nfs/dbraw/zinc/26/17/36/554261736.db2.gz LNIQVSSEMYAZHI-FMIVXFBMSA-N 0 0 546.502 2.422 50 0 KEAARN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(S(=O)(=O)c3ccccc3Br)CC1)CC2 ZINC000038139926 554261861 /nfs/dbraw/zinc/26/18/61/554261861.db2.gz OEEWWOVQGWHDJD-UHFFFAOYSA-N 0 0 538.464 2.358 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)NCc1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038140302 554262863 /nfs/dbraw/zinc/26/28/63/554262863.db2.gz WWNUBVCCQPSELW-UHFFFAOYSA-N 0 0 545.637 2.091 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O ZINC000038140308 554263072 /nfs/dbraw/zinc/26/30/72/554263072.db2.gz HNAZTDZEYYZFSQ-UHFFFAOYSA-N 0 0 543.646 2.427 50 0 KEAARN CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000038140326 554263090 /nfs/dbraw/zinc/26/30/90/554263090.db2.gz JJDYTHGEHOWIEA-UHFFFAOYSA-N 0 0 536.050 2.444 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c(=O)[nH]c1=O ZINC000038140421 554263445 /nfs/dbraw/zinc/26/34/45/554263445.db2.gz OAXCTXGULQMTGS-UHFFFAOYSA-N 0 0 543.646 2.427 50 0 KEAARN COCCN(C(=O)COC(=O)Cc1coc2cc3c(cc12)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140427 554263434 /nfs/dbraw/zinc/26/34/34/554263434.db2.gz RAGBFPSGHMPDMD-UHFFFAOYSA-N 0 0 546.580 2.167 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(=O)[nH]c1=O ZINC000038140435 554263603 /nfs/dbraw/zinc/26/36/03/554263603.db2.gz PFBXRCAUOOMRPU-UHFFFAOYSA-N 0 0 542.058 2.040 50 0 KEAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 ZINC000038140439 554263585 /nfs/dbraw/zinc/26/35/85/554263585.db2.gz AITIMDAHVQFCEK-UHFFFAOYSA-N 0 0 532.571 2.233 50 0 KEAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)c(=O)[nH]c1=O ZINC000038140440 554263648 /nfs/dbraw/zinc/26/36/48/554263648.db2.gz BPDFXPSLPZEPGF-UHFFFAOYSA-N 0 0 549.694 2.408 50 0 KEAARN COCCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140449 554263662 /nfs/dbraw/zinc/26/36/62/554263662.db2.gz ANQPLZSPHHBHGB-UHFFFAOYSA-N 0 0 536.541 2.067 50 0 KEAARN COCCN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140451 554263587 /nfs/dbraw/zinc/26/35/87/554263587.db2.gz ATKRPDSJDALURQ-UHFFFAOYSA-N 0 0 542.976 2.006 50 0 KEAARN C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000038140455 554263606 /nfs/dbraw/zinc/26/36/06/554263606.db2.gz FPFRNHJWBOUVPR-MGPUTAFESA-N 0 0 529.644 2.247 50 0 KEAARN C[C@@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000038140456 554263690 /nfs/dbraw/zinc/26/36/90/554263690.db2.gz FPFRNHJWBOUVPR-FOIQADDNSA-N 0 0 529.644 2.247 50 0 KEAARN C[C@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000038140457 554263622 /nfs/dbraw/zinc/26/36/22/554263622.db2.gz FPFRNHJWBOUVPR-YWZLYKJASA-N 0 0 529.644 2.247 50 0 KEAARN C[C@@H](NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000038140458 554263574 /nfs/dbraw/zinc/26/35/74/554263574.db2.gz FPFRNHJWBOUVPR-QRWLVFNGSA-N 0 0 529.644 2.247 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000038140462 554263682 /nfs/dbraw/zinc/26/36/82/554263682.db2.gz HFILGHWGSFOOND-UHFFFAOYSA-N 0 0 544.413 2.234 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000038140494 554263966 /nfs/dbraw/zinc/26/39/66/554263966.db2.gz SHJQAXBUNUUVBE-UHFFFAOYSA-N 0 0 526.409 2.237 50 0 KEAARN COCCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140772 554264192 /nfs/dbraw/zinc/26/41/92/554264192.db2.gz HNPKCORVJZYKOW-UHFFFAOYSA-N 0 0 547.568 2.209 50 0 KEAARN CCc1nc2ccccc2n1CC(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140773 554264203 /nfs/dbraw/zinc/26/42/03/554264203.db2.gz YKEGFQUVZOQFFB-UHFFFAOYSA-N 0 0 532.601 2.312 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000038140780 554264154 /nfs/dbraw/zinc/26/41/54/554264154.db2.gz JKDGAWNXYZSLHK-INIZCTEOSA-N 0 0 531.587 2.403 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000038140781 554264230 /nfs/dbraw/zinc/26/42/30/554264230.db2.gz JKDGAWNXYZSLHK-MRXNPFEDSA-N 0 0 531.587 2.403 50 0 KEAARN CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000038140787 554264171 /nfs/dbraw/zinc/26/41/71/554264171.db2.gz HEWUBRCCQWEVBF-UHFFFAOYSA-N 0 0 536.434 2.238 50 0 KEAARN CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000038140804 554264361 /nfs/dbraw/zinc/26/43/61/554264361.db2.gz LTEVHNGJROBLSR-UHFFFAOYSA-N 0 0 539.589 2.135 50 0 KEAARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC ZINC000038140810 554264376 /nfs/dbraw/zinc/26/43/76/554264376.db2.gz UZRGDHWNBZUNHD-UHFFFAOYSA-N 0 0 538.594 2.160 50 0 KEAARN COc1cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC ZINC000038140811 562063089 /nfs/dbraw/zinc/06/30/89/562063089.db2.gz NEVIQTGADBDCDW-UKWGHVSLSA-N 0 0 543.554 2.024 50 0 KEAARN COc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)cc1S(N)(=O)=O ZINC000038141723 554265200 /nfs/dbraw/zinc/26/52/00/554265200.db2.gz MWHVXVYLYDIRMR-UHFFFAOYSA-N 0 0 571.269 2.175 50 0 KEAARN CCN(C(=O)CSc1nc2ccc(O)cc2c(=O)n1-c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000038145284 554267439 /nfs/dbraw/zinc/26/74/39/554267439.db2.gz MLNKLXWDOSTDBU-MRXNPFEDSA-N 0 0 533.628 2.236 50 0 KEAARN CCN(C(=O)CSc1nc2ccc(O)cc2c(=O)n1-c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000038145286 554267456 /nfs/dbraw/zinc/26/74/56/554267456.db2.gz MLNKLXWDOSTDBU-INIZCTEOSA-N 0 0 533.628 2.236 50 0 KEAARN CCc1nc2ccccc2c(C(=O)OCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000038145798 554268080 /nfs/dbraw/zinc/26/80/80/554268080.db2.gz RHFOWZRQSPPKBC-UHFFFAOYSA-N 0 0 545.596 2.423 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)c(C)c1 ZINC000038145815 554268112 /nfs/dbraw/zinc/26/81/12/554268112.db2.gz NWGYOBYNSAVRBX-UHFFFAOYSA-N 0 0 534.704 2.301 50 0 KEAARN Cn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000038146789 554269922 /nfs/dbraw/zinc/26/99/22/554269922.db2.gz QUIXSKGXOPTQID-UHFFFAOYSA-N 0 0 531.034 2.175 50 0 KEAARN CCOC(=O)N1CCN(C(=O)CNC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3ccccc32)CC1 ZINC000038147030 554270192 /nfs/dbraw/zinc/27/01/92/554270192.db2.gz BHCUHFXPXKPWSJ-UHFFFAOYSA-N 0 0 527.965 2.078 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)c(OC)c1 ZINC000038147037 554270177 /nfs/dbraw/zinc/27/01/77/554270177.db2.gz ONFHAGVOCAIGTK-UHFFFAOYSA-N 0 0 557.607 2.490 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1OC ZINC000038147044 554270187 /nfs/dbraw/zinc/27/01/87/554270187.db2.gz CJRWWRPPEZWXAW-UHFFFAOYSA-N 0 0 541.608 2.477 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1OC ZINC000038147071 554270158 /nfs/dbraw/zinc/27/01/58/554270158.db2.gz WLHYQPZZPIHDIQ-UHFFFAOYSA-N 0 0 557.607 2.490 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)cc1OC ZINC000038148306 554270529 /nfs/dbraw/zinc/27/05/29/554270529.db2.gz PTKIVAGIVDIZPN-UHFFFAOYSA-N 0 0 546.602 2.494 50 0 KEAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(CCN1CCOCC1)c2=O ZINC000038150007 554270873 /nfs/dbraw/zinc/27/08/73/554270873.db2.gz GWDVCVGOMJXSMC-UHFFFAOYSA-N 0 0 542.614 2.263 50 0 KEAARN CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1 ZINC000038150036 554271235 /nfs/dbraw/zinc/27/12/35/554271235.db2.gz VZRIFBCCXIOXCW-UHFFFAOYSA-N 0 0 549.447 2.178 50 0 KEAARN COCCN(C(=O)COC(=O)Cc1ccc(Cl)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038150083 554271399 /nfs/dbraw/zinc/27/13/99/554271399.db2.gz HDARPPHUMLUJIP-UHFFFAOYSA-N 0 0 535.384 2.239 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 ZINC000038150088 554271429 /nfs/dbraw/zinc/27/14/29/554271429.db2.gz OMSLDOPCAJMMBV-MHZLTWQESA-N 0 0 536.610 2.149 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1 ZINC000038150089 554271476 /nfs/dbraw/zinc/27/14/76/554271476.db2.gz OMSLDOPCAJMMBV-HHHXNRCGSA-N 0 0 536.610 2.149 50 0 KEAARN CCOc1ccc(CCNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OCC ZINC000038150090 554271358 /nfs/dbraw/zinc/27/13/58/554271358.db2.gz CXPGXPKYVWQIAF-UHFFFAOYSA-N 0 0 538.594 2.160 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000038150094 554271443 /nfs/dbraw/zinc/27/14/43/554271443.db2.gz TWPXUUBHPGQYFO-UHFFFAOYSA-N 0 0 544.413 2.234 50 0 KEAARN COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 ZINC000038151079 554271771 /nfs/dbraw/zinc/27/17/71/554271771.db2.gz SDNOQCBVTMZNMS-UHFFFAOYSA-N 0 0 529.537 2.375 50 0 KEAARN CC(C)CN(C(=O)COC(=O)c1cncc(Br)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038151088 554271811 /nfs/dbraw/zinc/27/18/11/554271811.db2.gz WUGZMWGWJOBZTM-UHFFFAOYSA-N 0 0 530.379 2.171 50 0 KEAARN COc1ccc(N2C[C@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)c(OC)c1 ZINC000038151090 554271795 /nfs/dbraw/zinc/27/17/95/554271795.db2.gz IWOXRXRDILJGMV-LJQANCHMSA-N 0 0 535.601 2.226 50 0 KEAARN COc1ccc(N2C[C@@H](C(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)CC2=O)c(OC)c1 ZINC000038151091 554271709 /nfs/dbraw/zinc/27/17/09/554271709.db2.gz IWOXRXRDILJGMV-IBGZPJMESA-N 0 0 535.601 2.226 50 0 KEAARN Cn1c(CCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000038151101 554271779 /nfs/dbraw/zinc/27/17/79/554271779.db2.gz ZWVHTOQYFQCMTR-UHFFFAOYSA-N 0 0 541.051 2.222 50 0 KEAARN COCCN(C(=O)COC(=O)CSc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152208 554271920 /nfs/dbraw/zinc/27/19/20/554271920.db2.gz CBINGNSQMXGOAO-UHFFFAOYSA-N 0 0 533.006 2.135 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 ZINC000038152210 554271950 /nfs/dbraw/zinc/27/19/50/554271950.db2.gz QIDJGQRXUUOYIM-UHFFFAOYSA-N 0 0 537.038 2.444 50 0 KEAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000038152216 554272261 /nfs/dbraw/zinc/27/22/61/554272261.db2.gz GASQZRYWRPKEIL-NRFANRHFSA-N 0 0 529.681 2.067 50 0 KEAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000038152217 554272311 /nfs/dbraw/zinc/27/23/11/554272311.db2.gz GASQZRYWRPKEIL-OAQYLSRUSA-N 0 0 529.681 2.067 50 0 KEAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000038152221 554272329 /nfs/dbraw/zinc/27/23/29/554272329.db2.gz NTVYLTPXGGREIC-INIZCTEOSA-N 0 0 531.587 2.387 50 0 KEAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000038152222 554272252 /nfs/dbraw/zinc/27/22/52/554272252.db2.gz NTVYLTPXGGREIC-MRXNPFEDSA-N 0 0 531.587 2.387 50 0 KEAARN COCCn1c(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1-c1cccc(C)c1 ZINC000038152224 554272294 /nfs/dbraw/zinc/27/22/94/554272294.db2.gz MYNNVDFCSXIJBO-UHFFFAOYSA-N 0 0 535.630 2.136 50 0 KEAARN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000038152229 554272357 /nfs/dbraw/zinc/27/23/57/554272357.db2.gz NAUCDNYWBKOFCW-UHFFFAOYSA-N 0 0 546.827 2.330 50 0 KEAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000038152291 554272513 /nfs/dbraw/zinc/27/25/13/554272513.db2.gz CEHGMPVYOGSVEM-UHFFFAOYSA-N 0 0 549.600 2.292 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038152297 554272488 /nfs/dbraw/zinc/27/24/88/554272488.db2.gz SNDFLPOCNQFHMW-UHFFFAOYSA-N 0 0 528.414 2.108 50 0 KEAARN C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 ZINC000038152350 554272480 /nfs/dbraw/zinc/27/24/80/554272480.db2.gz ITAQRCMMKIJEOP-KBXCAEBGSA-N 0 0 522.874 2.389 50 0 KEAARN C[C@]12CCC(=O)N1[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 ZINC000038152351 554272519 /nfs/dbraw/zinc/27/25/19/554272519.db2.gz ITAQRCMMKIJEOP-KSSFIOAISA-N 0 0 522.874 2.389 50 0 KEAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 ZINC000038152352 554272491 /nfs/dbraw/zinc/27/24/91/554272491.db2.gz ITAQRCMMKIJEOP-RDTXWAMCSA-N 0 0 522.874 2.389 50 0 KEAARN C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC1)CS2 ZINC000038152353 554272557 /nfs/dbraw/zinc/27/25/57/554272557.db2.gz ITAQRCMMKIJEOP-KDOFPFPSSA-N 0 0 522.874 2.389 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152755 554272802 /nfs/dbraw/zinc/27/28/02/554272802.db2.gz ZFKZXJACFLVAQK-VAWYXSNFSA-N 0 0 535.582 2.013 50 0 KEAARN COCCN(C(=O)COC(=O)CCSc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152757 554272862 /nfs/dbraw/zinc/27/28/62/554272862.db2.gz FGXKKBMVHUVGBH-UHFFFAOYSA-N 0 0 530.578 2.011 50 0 KEAARN COCCN(C(=O)CSc1nnc(C)n1-c1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152767 554272786 /nfs/dbraw/zinc/27/27/86/554272786.db2.gz MTCXUCAGCSERGI-UHFFFAOYSA-N 0 0 535.630 2.136 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)[nH]c1=O ZINC000038152782 554273054 /nfs/dbraw/zinc/27/30/54/554273054.db2.gz OMCASUPBYBRWDU-UHFFFAOYSA-N 0 0 542.058 2.040 50 0 KEAARN Cc1ccc(-c2nnc(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n2N)cc1 ZINC000038152793 554273043 /nfs/dbraw/zinc/27/30/43/554273043.db2.gz HYNSBZGUGYXVAK-UHFFFAOYSA-N 0 0 534.646 2.229 50 0 KEAARN O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)Nc1ccc(N2CCOCC2)cc1 ZINC000038152794 554273014 /nfs/dbraw/zinc/27/30/14/554273014.db2.gz KZKXKJSCEUPNIJ-UHFFFAOYSA-N 0 0 546.827 2.399 50 0 KEAARN COCCN(C(=O)COC(=O)c1cc2ccccc2cc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152796 554273007 /nfs/dbraw/zinc/27/30/07/554273007.db2.gz WQRKFGQDUXTKFI-UHFFFAOYSA-N 0 0 532.553 2.165 50 0 KEAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)c2ccccc21 ZINC000038152807 554273074 /nfs/dbraw/zinc/27/30/74/554273074.db2.gz FVEBGXOVJCOQHF-QJOMJCCJSA-N 0 0 560.076 2.169 50 0 KEAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCCCN2CCOCC2)c2ccccc21 ZINC000038152811 554273302 /nfs/dbraw/zinc/27/33/02/554273302.db2.gz JPBGQXBUJJXFLE-MOHJPFBDSA-N 0 0 557.648 2.044 50 0 KEAARN CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCN(C)CC2)c2ccccc21 ZINC000038152812 554273333 /nfs/dbraw/zinc/27/33/33/554273333.db2.gz QSLVKJKGTXHMJB-JWGURIENSA-N 0 0 530.050 2.494 50 0 KEAARN Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCN2CCOCC2)cc1 ZINC000038152816 554273357 /nfs/dbraw/zinc/27/33/57/554273357.db2.gz VSIILUGHOBZFSG-PLRJNAJWSA-N 0 0 553.685 2.214 50 0 KEAARN Cc1[nH]nc(C(F)(F)F)c1Cc1sc2c(c1C(=O)N1C[C@](C)(O)CO1)c(=O)n(C)c(=O)n2C(C)C ZINC000038662649 554275413 /nfs/dbraw/zinc/27/54/13/554275413.db2.gz PRNXOFBDXNTIFG-FQEVSTJZSA-N 0 0 515.514 2.122 50 0 biogenic,in-vitro KEAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)cc21 ZINC000040450208 554284932 /nfs/dbraw/zinc/28/49/32/554284932.db2.gz QJNPNOBSZJORRL-UHFFFAOYSA-N 0 0 507.454 2.459 50 0 KEAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NCCN3CCC(C)CC3)cc21 ZINC000040450259 554285200 /nfs/dbraw/zinc/28/52/00/554285200.db2.gz HEICRCDBSMEFSW-UHFFFAOYSA-N 0 0 500.459 2.370 50 0 KEAARN O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)CC1 ZINC000040450493 554285520 /nfs/dbraw/zinc/28/55/20/554285520.db2.gz OIVAHHANPROZMZ-UHFFFAOYSA-N 0 0 508.394 2.488 50 0 KEAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000040450788 554285730 /nfs/dbraw/zinc/28/57/30/554285730.db2.gz FVBDEGGOKXHKSN-UHFFFAOYSA-N 0 0 515.426 2.278 50 0 KEAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc21 ZINC000040450856 554286095 /nfs/dbraw/zinc/28/60/95/554286095.db2.gz YPCZVYNTELZQMJ-UHFFFAOYSA-N 0 0 514.442 2.008 50 0 KEAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000040458940 554286595 /nfs/dbraw/zinc/28/65/95/554286595.db2.gz UXOMJUCFOFMXBW-UHFFFAOYSA-N 0 0 517.604 2.354 50 0 KEAARN COc1cccc(CNC(=O)Cn2cnc3c(nnn3Cc3cccc(C(F)(F)F)c3)c2=O)c1OC ZINC000040477165 554286650 /nfs/dbraw/zinc/28/66/50/554286650.db2.gz ZTSDPVGHYLXULZ-UHFFFAOYSA-N 0 0 502.453 2.389 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1 ZINC000041077445 554292537 /nfs/dbraw/zinc/29/25/37/554292537.db2.gz DGAUEAMWHMHEBP-UHFFFAOYSA-N 0 0 503.631 2.395 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1 ZINC000041077457 554292487 /nfs/dbraw/zinc/29/24/87/554292487.db2.gz GNFMFLLBAQJMGI-UHFFFAOYSA-N 0 0 515.592 2.472 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1 ZINC000041077469 554292442 /nfs/dbraw/zinc/29/24/42/554292442.db2.gz LPOQRWMZRWJISX-UHFFFAOYSA-N 0 0 515.592 2.472 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1 ZINC000041077475 554292506 /nfs/dbraw/zinc/29/25/06/554292506.db2.gz CANNEOUQGFETAY-UHFFFAOYSA-N 0 0 504.569 2.068 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1 ZINC000041077590 554292946 /nfs/dbraw/zinc/29/29/46/554292946.db2.gz SCPQPQMCWHCDIY-UHFFFAOYSA-N 0 0 500.606 2.238 50 0 KEAARN COc1ccccc1-c1nn2c(nc(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2=O)s1 ZINC000041085884 554294664 /nfs/dbraw/zinc/29/46/64/554294664.db2.gz ZKTJJUZIZWXHLV-UHFFFAOYSA-N 0 0 515.592 2.472 50 0 KEAARN COc1cccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cc3=O)s2)c1 ZINC000041085887 554294698 /nfs/dbraw/zinc/29/46/98/554294698.db2.gz YGCUHESCPZYXRS-UHFFFAOYSA-N 0 0 515.592 2.472 50 0 KEAARN COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cc3=O)s2)cc1 ZINC000041085915 554294587 /nfs/dbraw/zinc/29/45/87/554294587.db2.gz VQCSOQHDFCNRAP-UHFFFAOYSA-N 0 0 515.592 2.472 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)/N=c2\sccn2S(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000041124579 554295582 /nfs/dbraw/zinc/29/55/82/554295582.db2.gz AKDFIJKXWBGXJM-VXPUYCOJSA-N 0 0 500.576 2.111 50 0 KEAARN CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H]1O ZINC000043328169 554298449 /nfs/dbraw/zinc/29/84/49/554298449.db2.gz DKYDBQQIQAPGMH-CSGWGNODSA-N 0 0 550.689 2.081 50 0 biogenic,in-vitro KEAARN CC(=O)OC[C@@H]1O[C@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000043427252 554298746 /nfs/dbraw/zinc/29/87/46/554298746.db2.gz KVKPMJCOWPEUBL-ANYFMGCHSA-N 0 0 562.597 2.499 50 0 KEAARN CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 ZINC000043732465 554299139 /nfs/dbraw/zinc/29/91/39/554299139.db2.gz YKVGZWKJOPEVEC-SKPFHBQLSA-N 0 0 520.721 2.111 50 0 KEAARN CSCC[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCCN1CCOCC1 ZINC000043732466 554299132 /nfs/dbraw/zinc/29/91/32/554299132.db2.gz YKVGZWKJOPEVEC-MZLICYQSSA-N 0 0 520.721 2.111 50 0 KEAARN C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1N2C(=O)C[C@@H]2S(=O)(=O)C1(C)C)c1ccccc1 ZINC000043746675 554299467 /nfs/dbraw/zinc/29/94/67/554299467.db2.gz OIPATMUGKZSSKM-DFQATESRSA-N 0 0 522.627 2.207 50 0 KEAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccn4)CC3)cc21 ZINC000044139531 554301248 /nfs/dbraw/zinc/30/12/48/554301248.db2.gz JKPIKMDIYSUIEZ-UHFFFAOYSA-N 0 0 521.437 2.266 50 0 KEAARN O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(OC[C@@H](O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000044459981 554302157 /nfs/dbraw/zinc/30/21/57/554302157.db2.gz RBYBEOWVHIHZLA-RNPORBBMSA-N 0 0 602.732 2.082 50 0 KEAARN O=S(=O)(c1cccc(Br)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000044980781 554310769 /nfs/dbraw/zinc/31/07/69/554310769.db2.gz FKWOXZLKTPOVNO-UHFFFAOYSA-N 0 0 517.423 2.306 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Br)CC2)cc1OC ZINC000044980785 554310712 /nfs/dbraw/zinc/31/07/12/554310712.db2.gz VQQBVNPZOQNIFN-UHFFFAOYSA-N 0 0 505.412 2.162 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1OCC ZINC000044980810 554310921 /nfs/dbraw/zinc/31/09/21/554310921.db2.gz CBQVSYPNQJABLH-UHFFFAOYSA-N 0 0 514.622 2.196 50 0 KEAARN CCCNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2cccc(OC)c2OC)c1=O ZINC000045896502 554311603 /nfs/dbraw/zinc/31/16/03/554311603.db2.gz DDUUUBZRTNJOAO-UHFFFAOYSA-N 0 0 510.591 2.193 50 0 KEAARN CC(C)CNC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000045899155 554312760 /nfs/dbraw/zinc/31/27/60/554312760.db2.gz OCQXCFYOLYHNIZ-UHFFFAOYSA-N 0 0 508.575 2.151 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NC)cc3)c2=O)cc1 ZINC000045899401 554312718 /nfs/dbraw/zinc/31/27/18/554312718.db2.gz IABHEUCDCQHKMC-UHFFFAOYSA-N 0 0 514.538 2.256 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cc(C=O)ccc3OC)c2=O)cc1 ZINC000045899960 554313450 /nfs/dbraw/zinc/31/34/50/554313450.db2.gz CQDDBXSTJGUFLL-UHFFFAOYSA-N 0 0 501.539 2.327 50 0 KEAARN COCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1 ZINC000045899979 554313456 /nfs/dbraw/zinc/31/34/56/554313456.db2.gz JTTRPINIPJQFLL-UHFFFAOYSA-N 0 0 514.582 2.082 50 0 KEAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1)NC1CC1 ZINC000045900155 554313735 /nfs/dbraw/zinc/31/37/35/554313735.db2.gz DCUPLJUNQBNUDO-UHFFFAOYSA-N 0 0 500.530 2.429 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 ZINC000045921826 554314303 /nfs/dbraw/zinc/31/43/03/554314303.db2.gz YTSFKDDXZNJMJS-UHFFFAOYSA-N 0 0 520.517 2.366 50 0 KEAARN CCCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NC(C)C)cc2)c1=O ZINC000045921835 554314238 /nfs/dbraw/zinc/31/42/38/554314238.db2.gz OVMUQVVPOQGEOS-UHFFFAOYSA-N 0 0 510.591 2.283 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)N1CCCCC1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000045921841 554314286 /nfs/dbraw/zinc/31/42/86/554314286.db2.gz PQQQSJUUECNUOG-UHFFFAOYSA-N 0 0 522.602 2.379 50 0 KEAARN CCCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NC3CC3)cc2)c1=O ZINC000045921846 554314193 /nfs/dbraw/zinc/31/41/93/554314193.db2.gz KIYNGCHHSNUSMC-UHFFFAOYSA-N 0 0 508.575 2.037 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)N1CCCCC1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000045921850 554314282 /nfs/dbraw/zinc/31/42/82/554314282.db2.gz IXJVQFUBZHZXJD-UHFFFAOYSA-N 0 0 520.586 2.133 50 0 KEAARN CCCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NCCC)cc2)c1=O ZINC000045921863 554314267 /nfs/dbraw/zinc/31/42/67/554314267.db2.gz CNWWMLMMEXBKJO-UHFFFAOYSA-N 0 0 510.591 2.285 50 0 KEAARN CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(OC)ccc3OC)c2=O)cc1 ZINC000045921997 554314510 /nfs/dbraw/zinc/31/45/10/554314510.db2.gz SIJYWRUSSGNTJF-UHFFFAOYSA-N 0 0 502.527 2.097 50 0 KEAARN COc1ccccc1N1CCN(C(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)CC1 ZINC000045925004 554316101 /nfs/dbraw/zinc/31/61/01/554316101.db2.gz GAGVAMYTKKSNDM-UHFFFAOYSA-N 0 0 505.647 2.403 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1 ZINC000045962200 554316541 /nfs/dbraw/zinc/31/65/41/554316541.db2.gz OEAVPMTYZCNNAS-UHFFFAOYSA-N 0 0 500.606 2.238 50 0 KEAARN COc1ccc(-c2nn3c(nc(CN4CCN(S(=O)(=O)Cc5ccccc5)CC4)cc3=O)s2)cc1 ZINC000045962231 554316797 /nfs/dbraw/zinc/31/67/97/554316797.db2.gz AZTJYRQEAWKEMG-UHFFFAOYSA-N 0 0 511.629 2.474 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C=O)ccc3OC)c2=O)cc1 ZINC000045995763 554318162 /nfs/dbraw/zinc/31/81/62/554318162.db2.gz ILALUQZGZNUUKG-UHFFFAOYSA-N 0 0 517.538 2.458 50 0 KEAARN COC(=O)[C@H](CCSC)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 ZINC000046086333 554320355 /nfs/dbraw/zinc/32/03/55/554320355.db2.gz DKHYIOGLUCEIDY-GOTSBHOMSA-N 0 0 529.659 2.344 50 0 KEAARN COC(=O)[C@H](CCSC)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 ZINC000046086335 554320410 /nfs/dbraw/zinc/32/04/10/554320410.db2.gz DKHYIOGLUCEIDY-XZOQPEGZSA-N 0 0 529.659 2.344 50 0 KEAARN COC(=O)[C@@H](CCSC)NC(=O)CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 ZINC000046086337 554320404 /nfs/dbraw/zinc/32/04/04/554320404.db2.gz DKHYIOGLUCEIDY-PKTZIBPZSA-N 0 0 529.659 2.344 50 0 KEAARN COC(=O)[C@@H](CCSC)NC(=O)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 ZINC000046086339 554320381 /nfs/dbraw/zinc/32/03/81/554320381.db2.gz DKHYIOGLUCEIDY-DHIUTWEWSA-N 0 0 529.659 2.344 50 0 KEAARN CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1 ZINC000049722974 554324716 /nfs/dbraw/zinc/32/47/16/554324716.db2.gz BBAWEDCPNXPBQM-USXSPERKSA-N 0 0 679.863 2.446 50 0 in-vitro KEAARN O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049723224 554324643 /nfs/dbraw/zinc/32/46/43/554324643.db2.gz MPBBVBRPTMMQGM-UHFFFAOYSA-N 0 0 563.724 2.338 50 0 KEAARN COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 ZINC000050647938 1066204783 /nfs/dbraw/zinc/20/47/83/1066204783.db2.gz XSNUBGHYBBIBDD-JECSTDCCSA-N 0 0 517.336 2.327 50 0 KEAARN COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 ZINC000050647939 1066204700 /nfs/dbraw/zinc/20/47/00/1066204700.db2.gz XSNUBGHYBBIBDD-VVEJJEBESA-N 0 0 517.336 2.327 50 0 KEAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000054313850 554349493 /nfs/dbraw/zinc/34/94/93/554349493.db2.gz DNDNVEBKSDJSPY-OAQYLSRUSA-N 0 0 503.525 2.183 50 0 KEAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1 ZINC000054313852 554349547 /nfs/dbraw/zinc/34/95/47/554349547.db2.gz DNDNVEBKSDJSPY-NRFANRHFSA-N 0 0 503.525 2.183 50 0 KEAARN COc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 ZINC000055153203 554350185 /nfs/dbraw/zinc/35/01/85/554350185.db2.gz QQAQUJHMRICEIT-UHFFFAOYSA-N 0 0 503.397 2.279 50 0 KEAARN CCOC(=O)[C@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)CC[C@H](N)C(=O)OCC)c1ccccc1 ZINC000056898832 554351322 /nfs/dbraw/zinc/35/13/22/554351322.db2.gz GWEJFLVSOGNLSS-WPFOTENUSA-N 0 0 529.659 2.496 50 0 investigational KEAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(CC(=O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000057010924 554351663 /nfs/dbraw/zinc/35/16/63/554351663.db2.gz GKSOZEMMQZHRBQ-UHFFFAOYSA-N 0 0 506.994 2.292 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@@]23c2cc(Br)ccc2NC3=O)c1 ZINC000057122064 554352785 /nfs/dbraw/zinc/35/27/85/554352785.db2.gz SQWAPGHVFYOHHN-SIMDFCGZSA-N 0 0 503.353 2.106 50 0 KEAARN CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000058583667 554364988 /nfs/dbraw/zinc/36/49/88/554364988.db2.gz WNMCTLCPQSJJAP-SFTDATJTSA-N 0 0 611.618 2.041 50 0 KEAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccn5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101388 554377835 /nfs/dbraw/zinc/37/78/35/554377835.db2.gz NAWIAKKCXYXTHA-RUZDIDTESA-N 0 0 554.611 2.334 50 0 biogenic KEAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccn5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101390 554377832 /nfs/dbraw/zinc/37/78/32/554377832.db2.gz NAWIAKKCXYXTHA-VWLOTQADSA-N 0 0 554.611 2.334 50 0 biogenic KEAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101412 554377796 /nfs/dbraw/zinc/37/77/96/554377796.db2.gz IIMOGIKNDZFFGL-XMMPIXPASA-N 0 0 571.594 2.168 50 0 biogenic KEAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101415 554377704 /nfs/dbraw/zinc/37/77/04/554377704.db2.gz IIMOGIKNDZFFGL-DEOSSOPVSA-N 0 0 571.594 2.168 50 0 biogenic KEAARN CCOC(=O)C1CCN(C(=O)c2ccccc2-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)CC1 ZINC000059101509 554377766 /nfs/dbraw/zinc/37/77/66/554377766.db2.gz HGQSMWCTSIWFNU-QHCPKHFHSA-N 0 0 548.600 2.392 50 0 biogenic KEAARN CCOC(=O)C1CCN(C(=O)c2ccccc2-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)CC1 ZINC000059101512 554377744 /nfs/dbraw/zinc/37/77/44/554377744.db2.gz HGQSMWCTSIWFNU-HSZRJFAPSA-N 0 0 548.600 2.392 50 0 biogenic KEAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccn5)CC4)c1)N(C)CC3)OCO2 ZINC000059101887 554377936 /nfs/dbraw/zinc/37/79/36/554377936.db2.gz NSVAPVDQNXVDOM-RUZDIDTESA-N 0 0 554.611 2.334 50 0 biogenic KEAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccn5)CC4)c1)N(C)CC3)OCO2 ZINC000059101889 554378123 /nfs/dbraw/zinc/37/81/23/554378123.db2.gz NSVAPVDQNXVDOM-VWLOTQADSA-N 0 0 554.611 2.334 50 0 biogenic KEAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c1)N(C)CC3)OCO2 ZINC000059101914 554378103 /nfs/dbraw/zinc/37/81/03/554378103.db2.gz BDQGBHKTNLCHHO-XMMPIXPASA-N 0 0 571.594 2.168 50 0 biogenic KEAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c1)N(C)CC3)OCO2 ZINC000059101917 554378135 /nfs/dbraw/zinc/37/81/35/554378135.db2.gz BDQGBHKTNLCHHO-DEOSSOPVSA-N 0 0 571.594 2.168 50 0 biogenic KEAARN COc1ccc(Cl)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000059211828 554385428 /nfs/dbraw/zinc/38/54/28/554385428.db2.gz HSHKMYMYZCPKJJ-UHFFFAOYSA-N 0 0 538.475 2.295 50 0 KEAARN COc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3cc(OC)c(Cl)cc3OC)CC2)c(OC)cc1Cl ZINC000059211829 554385407 /nfs/dbraw/zinc/38/54/07/554385407.db2.gz YJTSRTXBZYRZCY-UHFFFAOYSA-N 0 0 598.527 2.313 50 0 KEAARN COc1cc(Cc2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)c(OC)c2)ccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000059211900 554385420 /nfs/dbraw/zinc/38/54/20/554385420.db2.gz GDGMRNQAONXADS-UHFFFAOYSA-N 0 0 624.705 2.087 50 0 KEAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CCCCC4)c(=O)c32)CC1 ZINC000059514645 554401525 /nfs/dbraw/zinc/40/15/25/554401525.db2.gz QKQPUPOVBHNPLQ-UHFFFAOYSA-N 0 0 545.687 2.298 50 0 KEAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)ccc3c2=O)cc1 ZINC000059514743 554401801 /nfs/dbraw/zinc/40/18/01/554401801.db2.gz YVGBFEBGTBXTIF-UHFFFAOYSA-N 0 0 528.565 2.433 50 0 KEAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000059514998 554401773 /nfs/dbraw/zinc/40/17/73/554401773.db2.gz QXZMHQKSSXSULS-UHFFFAOYSA-N 0 0 541.649 2.394 50 0 KEAARN COc1cc(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)cc(OC)c1OC ZINC000059515036 554401992 /nfs/dbraw/zinc/40/19/92/554401992.db2.gz UVDKFDABEZZFHX-UHFFFAOYSA-N 0 0 530.603 2.482 50 0 KEAARN CCOC(=O)C1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)CC1 ZINC000059515083 554402269 /nfs/dbraw/zinc/40/22/69/554402269.db2.gz MZLINOBHPYOHNJ-IYBDPMFKSA-N 0 0 538.692 2.235 50 0 KEAARN CCOC(=O)C1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)CC1 ZINC000059515084 554402219 /nfs/dbraw/zinc/40/22/19/554402219.db2.gz MZLINOBHPYOHNJ-HOTGVXAUSA-N 0 0 538.692 2.235 50 0 KEAARN CCOC(=O)C1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)CC1 ZINC000059515085 554402191 /nfs/dbraw/zinc/40/21/91/554402191.db2.gz MZLINOBHPYOHNJ-HZPDHXFCSA-N 0 0 538.692 2.235 50 0 KEAARN COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000059515110 554402556 /nfs/dbraw/zinc/40/25/56/554402556.db2.gz JJWBVDXNANUMHW-UHFFFAOYSA-N 0 0 525.425 2.361 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2c1S(=O)(=O)N1CCCCC1 ZINC000059515166 554402840 /nfs/dbraw/zinc/40/28/40/554402840.db2.gz BWCGYVBMOWTRLI-UHFFFAOYSA-N 0 0 573.697 2.014 50 0 KEAARN O=C(NCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000059524167 554405315 /nfs/dbraw/zinc/40/53/15/554405315.db2.gz MPBUIDQFARZTNA-UHFFFAOYSA-N 0 0 527.622 2.004 50 0 KEAARN COc1ccccc1N1CCN(C(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1 ZINC000059524492 554405744 /nfs/dbraw/zinc/40/57/44/554405744.db2.gz SCTXYFIOTYIJQV-UHFFFAOYSA-N 0 0 539.658 2.175 50 0 KEAARN COc1ccccc1N1CCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCCCC4)c3c2=O)CC1 ZINC000059524552 554405637 /nfs/dbraw/zinc/40/56/37/554405637.db2.gz DNFKVTWOLOKFPO-UHFFFAOYSA-N 0 0 545.687 2.298 50 0 KEAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)CC1 ZINC000059525296 554406128 /nfs/dbraw/zinc/40/61/28/554406128.db2.gz NTIWHRAQVCARLE-UHFFFAOYSA-N 0 0 545.061 2.484 50 0 KEAARN COc1cc(OC)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000059722856 554426543 /nfs/dbraw/zinc/42/65/43/554426543.db2.gz FEVBHIOUDRSZLI-UHFFFAOYSA-N 0 0 564.594 2.118 50 0 KEAARN COC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000059758360 554428212 /nfs/dbraw/zinc/42/82/12/554428212.db2.gz DTTZWTKODYKVRU-QHCPKHFHSA-N 0 0 543.623 2.176 50 0 KEAARN COC(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000059758361 554428167 /nfs/dbraw/zinc/42/81/67/554428167.db2.gz DTTZWTKODYKVRU-HSZRJFAPSA-N 0 0 543.623 2.176 50 0 KEAARN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059758390 554428547 /nfs/dbraw/zinc/42/85/47/554428547.db2.gz IATOWOPJGIKQCK-UHFFFAOYSA-N 0 0 573.649 2.313 50 0 KEAARN COC(=O)c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C ZINC000059775170 554429036 /nfs/dbraw/zinc/42/90/36/554429036.db2.gz NGNJRXXAYRMRKH-DEOSSOPVSA-N 0 0 557.650 2.484 50 0 KEAARN COC(=O)c1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1C ZINC000059775180 554429028 /nfs/dbraw/zinc/42/90/28/554429028.db2.gz NGNJRXXAYRMRKH-XMMPIXPASA-N 0 0 557.650 2.484 50 0 KEAARN CCOC(=O)C(C(=O)OCC)=C(CCN1C(=O)c2ccccc2C1=O)OC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000059824288 554431805 /nfs/dbraw/zinc/43/18/05/554431805.db2.gz KTYQTGZDLWTKOI-UHFFFAOYSA-N 0 0 562.531 2.283 50 0 KEAARN COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059829361 554432431 /nfs/dbraw/zinc/43/24/31/554432431.db2.gz NVZQJBAWAHTFNK-HSZRJFAPSA-N 0 0 545.639 2.406 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 ZINC000059829365 554432419 /nfs/dbraw/zinc/43/24/19/554432419.db2.gz NPTKFEZSSUPZDL-QHCPKHFHSA-N 0 0 545.639 2.406 50 0 KEAARN COc1ccc(CCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000059829367 554432355 /nfs/dbraw/zinc/43/23/55/554432355.db2.gz XXCIJSVOEKEVSU-XMMPIXPASA-N 0 0 573.693 2.127 50 0 KEAARN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)cc1 ZINC000059851856 554448864 /nfs/dbraw/zinc/44/88/64/554448864.db2.gz FTPRIVVDQDYVSV-UHFFFAOYSA-N 0 0 575.665 2.212 50 0 KEAARN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852269 554450696 /nfs/dbraw/zinc/45/06/96/554450696.db2.gz SERQFMHILHOZDS-UHFFFAOYSA-N 0 0 557.694 2.435 50 0 KEAARN O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000059854495 554454924 /nfs/dbraw/zinc/45/49/24/554454924.db2.gz FDMSIPBMFWUVIN-UHFFFAOYSA-N 0 0 514.677 2.030 50 0 KEAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(NC(C)=O)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1OC ZINC000060133506 554502318 /nfs/dbraw/zinc/50/23/18/554502318.db2.gz JPSNUUYJURYOFB-UHFFFAOYSA-N 0 0 550.597 2.401 50 0 KEAARN COc1ccc(CCNC(=O)CSc2nc(-c3ccccc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000060133510 554502325 /nfs/dbraw/zinc/50/23/25/554502325.db2.gz SAPDHNDLWBFMCK-UHFFFAOYSA-N 0 0 539.589 2.302 50 0 KEAARN COc1ccc(CCNC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1OC ZINC000060209118 554502739 /nfs/dbraw/zinc/50/27/39/554502739.db2.gz BTYUUASEEUIVHZ-UHFFFAOYSA-N 0 0 570.697 2.422 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(OC)ccc4OC)nn32)cc1 ZINC000060209123 554502763 /nfs/dbraw/zinc/50/27/63/554502763.db2.gz SRXDXTQUVNUJHE-UHFFFAOYSA-N 0 0 558.642 2.402 50 0 KEAARN COC(=O)Cn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000060266428 554504475 /nfs/dbraw/zinc/50/44/75/554504475.db2.gz IWXKIIVEBAASNB-DAAKBVJHSA-N 0 0 563.654 2.432 50 0 KEAARN COC(=O)Cn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000060266432 554504384 /nfs/dbraw/zinc/50/43/84/554504384.db2.gz IWXKIIVEBAASNB-UGRRTIFLSA-N 0 0 563.654 2.432 50 0 KEAARN COC(=O)Cn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000060266436 554504457 /nfs/dbraw/zinc/50/44/57/554504457.db2.gz IWXKIIVEBAASNB-OPVHHSRSSA-N 0 0 563.654 2.432 50 0 KEAARN CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccccc2)C1=O ZINC000062563995 554506828 /nfs/dbraw/zinc/50/68/28/554506828.db2.gz MJWOVYUEMKOPDX-XMMPIXPASA-N 0 0 509.544 2.016 50 0 KEAARN CC[C@]1(C)NC(=O)N(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccccc2)C1=O ZINC000062563997 554506820 /nfs/dbraw/zinc/50/68/20/554506820.db2.gz MJWOVYUEMKOPDX-DEOSSOPVSA-N 0 0 509.544 2.016 50 0 KEAARN CCCN(C(=O)COC(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062572050 554506869 /nfs/dbraw/zinc/50/68/69/554506869.db2.gz XSRKMBXLZFNQIW-UHFFFAOYSA-N 0 0 500.939 2.186 50 0 KEAARN CCCN(C(=O)COC(=O)COc1c(C)cc(C)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062572052 554506903 /nfs/dbraw/zinc/50/69/03/554506903.db2.gz VYMNWPWZPOHNEI-UHFFFAOYSA-N 0 0 508.575 2.458 50 0 KEAARN CC(C)CN(C(=O)COC(=O)COc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062575355 554507146 /nfs/dbraw/zinc/50/71/46/554507146.db2.gz RHINOJCOGTXDNS-UHFFFAOYSA-N 0 0 514.966 2.432 50 0 KEAARN CCCN(C(=O)COC(=O)COc1ccc(Cl)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062575456 554507232 /nfs/dbraw/zinc/50/72/32/554507232.db2.gz RAGRVQLFPSRAQB-UHFFFAOYSA-N 0 0 514.966 2.494 50 0 KEAARN CCCN(C(=O)COC(=O)COc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000062577432 554507129 /nfs/dbraw/zinc/50/71/29/554507129.db2.gz JKXDXJGURSOMLJ-UHFFFAOYSA-N 0 0 500.939 2.186 50 0 KEAARN Cc1noc(CCn2c(=O)c3cc4c(cc3n(CC(=O)Nc3ccccc3C(F)(F)F)c2=O)OCO4)n1 ZINC000062728240 554508283 /nfs/dbraw/zinc/50/82/83/554508283.db2.gz BQZPLSKPFYUHTJ-UHFFFAOYSA-N 0 0 517.420 2.484 50 0 KEAARN COc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(CCc3nc(C)no3)c2=O)OCO4)cc1Cl ZINC000062728246 554508660 /nfs/dbraw/zinc/50/86/60/554508660.db2.gz AMTSKAQYCRIBIM-UHFFFAOYSA-N 0 0 513.894 2.127 50 0 KEAARN CCOc1ccc(NC(=O)Cn2c3cc4c(cc3c(=O)n(CCCc3nc(C)no3)c2=O)OCO4)cc1 ZINC000062728285 554508663 /nfs/dbraw/zinc/50/86/63/554508663.db2.gz RNLRLMRAWUPFAF-UHFFFAOYSA-N 0 0 507.503 2.254 50 0 KEAARN CCOc1ccccc1NC(=O)Cn1c2cc3c(cc2c(=O)n(CCCc2nc(C)no2)c1=O)OCO3 ZINC000062728291 554508666 /nfs/dbraw/zinc/50/86/66/554508666.db2.gz DQJPLBZGEMBAPK-UHFFFAOYSA-N 0 0 507.503 2.254 50 0 KEAARN Cc1noc(CCCn2c(=O)c3cc4c(cc3n(CC(=O)NCc3ccccc3Cl)c2=O)OCO4)n1 ZINC000062728297 554508609 /nfs/dbraw/zinc/50/86/09/554508609.db2.gz RWXYDASDOMBQJH-UHFFFAOYSA-N 0 0 511.922 2.186 50 0 KEAARN COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCN4CCN(c5ccccc5)CC4)ccc3c2=O)cc1 ZINC000063439872 554508953 /nfs/dbraw/zinc/50/89/53/554508953.db2.gz ORLLPGGNPFEIKC-UHFFFAOYSA-N 0 0 513.598 2.299 50 0 KEAARN O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000063478912 554509314 /nfs/dbraw/zinc/50/93/14/554509314.db2.gz WSIWRCCLKPOCJS-LJQANCHMSA-N 0 0 514.677 2.030 50 0 KEAARN O=C(NCCN1CCN(c2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000063478913 554509268 /nfs/dbraw/zinc/50/92/68/554509268.db2.gz WSIWRCCLKPOCJS-IBGZPJMESA-N 0 0 514.677 2.030 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](CC(N)=O)N[C@@]23c2cc(Br)ccc2NC3=O)c1 ZINC000064164939 554510858 /nfs/dbraw/zinc/51/08/58/554510858.db2.gz SQWAPGHVFYOHHN-PVSQZPHNSA-N 0 0 503.353 2.106 50 0 KEAARN COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](CC(N)=O)N[C@@]23c2cc(Br)ccc2NC3=O)c1 ZINC000064164941 554510835 /nfs/dbraw/zinc/51/08/35/554510835.db2.gz SQWAPGHVFYOHHN-LAKHIVPPSA-N 0 0 503.353 2.106 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NC(C)C)c(=O)n(Cc1ccc(C(=O)N3CCCCC3)cc1)c2=O ZINC000064449207 554511070 /nfs/dbraw/zinc/51/10/70/554511070.db2.gz ZOTXTUQEFKOTPX-UHFFFAOYSA-N 0 0 522.602 2.379 50 0 KEAARN CCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)N3CCCCC3)cc2)c1=O ZINC000064449209 554511019 /nfs/dbraw/zinc/51/10/19/554511019.db2.gz JBURINYCKYFNCI-UHFFFAOYSA-N 0 0 522.602 2.381 50 0 KEAARN CC[C@@H](C)NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)N3CCCC3)cc2)c1=O ZINC000064449295 554511003 /nfs/dbraw/zinc/51/10/03/554511003.db2.gz BYEOKJHCNWACNC-GOSISDBHSA-N 0 0 522.602 2.379 50 0 KEAARN CC[C@H](C)NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)N3CCCC3)cc2)c1=O ZINC000064449297 554511088 /nfs/dbraw/zinc/51/10/88/554511088.db2.gz BYEOKJHCNWACNC-SFHVURJKSA-N 0 0 522.602 2.379 50 0 KEAARN CCOC(=O)C1CCN(c2cc3c(cc2NC(=O)Cc2cccc(OC)c2)n(C)c(=O)c(=O)n3C)CC1 ZINC000064526087 554511654 /nfs/dbraw/zinc/51/16/54/554511654.db2.gz NWRXLOGPINBEOO-UHFFFAOYSA-N 0 0 508.575 2.207 50 0 KEAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)o2)cc1 ZINC000064715200 554515182 /nfs/dbraw/zinc/51/51/82/554515182.db2.gz QEFNBPVLBCSCLL-UHFFFAOYSA-N 0 0 545.666 2.443 50 0 KEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000064775046 554515192 /nfs/dbraw/zinc/51/51/92/554515192.db2.gz HWPMKWRMRNMKAZ-UHFFFAOYSA-N 0 0 522.556 2.363 50 0 KEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000064775054 554515212 /nfs/dbraw/zinc/51/52/12/554515212.db2.gz YYASIGNBRBBJGE-UHFFFAOYSA-N 0 0 504.566 2.224 50 0 KEAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000064775055 554515207 /nfs/dbraw/zinc/51/52/07/554515207.db2.gz DQNLVXWQWLFWOQ-UHFFFAOYSA-N 0 0 518.593 2.419 50 0 KEAARN CCn1nc(C)c2c1c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000064775066 554515421 /nfs/dbraw/zinc/51/54/21/554515421.db2.gz LNNUXSIVYNSKLM-UHFFFAOYSA-N 0 0 518.593 2.419 50 0 KEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000064775071 554515485 /nfs/dbraw/zinc/51/54/85/554515485.db2.gz HWNDJEQNRNPWIW-UHFFFAOYSA-N 0 0 504.566 2.224 50 0 KEAARN CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000064775079 554515457 /nfs/dbraw/zinc/51/54/57/554515457.db2.gz SUUXZIURPOQUPV-UHFFFAOYSA-N 0 0 522.556 2.363 50 0 KEAARN CCOc1ccc(CCNC(=O)Cn2c3nccnc3c(=O)n(Cc3ccccc3)c2=O)cc1OCC ZINC000064775341 554515778 /nfs/dbraw/zinc/51/57/78/554515778.db2.gz ZKLFMBSZDIQXAG-UHFFFAOYSA-N 0 0 503.559 2.158 50 0 KEAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccccc4Br)CC3)cc2NC1=O ZINC000064889946 554519491 /nfs/dbraw/zinc/51/94/91/554519491.db2.gz XZJMUQZDGCLPRQ-CQSZACIVSA-N 0 0 508.394 2.244 50 0 KEAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccccc4Br)CC3)cc2NC1=O ZINC000064889947 554519578 /nfs/dbraw/zinc/51/95/78/554519578.db2.gz XZJMUQZDGCLPRQ-AWEZNQCLSA-N 0 0 508.394 2.244 50 0 KEAARN C[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(Br)cc4)CC3)cc2NC1=O ZINC000064890024 554519570 /nfs/dbraw/zinc/51/95/70/554519570.db2.gz KSMNWMDUQCHVQH-CQSZACIVSA-N 0 0 508.394 2.244 50 0 KEAARN C[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)Cc4ccc(Br)cc4)CC3)cc2NC1=O ZINC000064890025 554519755 /nfs/dbraw/zinc/51/97/55/554519755.db2.gz KSMNWMDUQCHVQH-AWEZNQCLSA-N 0 0 508.394 2.244 50 0 KEAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1OCC ZINC000064890040 554519744 /nfs/dbraw/zinc/51/97/44/554519744.db2.gz QCFDHZCIYBNVOX-INIZCTEOSA-N 0 0 503.577 2.350 50 0 KEAARN CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1OCC ZINC000064890041 554519778 /nfs/dbraw/zinc/51/97/78/554519778.db2.gz QCFDHZCIYBNVOX-MRXNPFEDSA-N 0 0 503.577 2.350 50 0 KEAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(C)c(NC(C)=O)c4)CC3)cc2NC1=O ZINC000064890090 554519785 /nfs/dbraw/zinc/51/97/85/554519785.db2.gz MRHGXSDYJKBKKO-OAQYLSRUSA-N 0 0 500.577 2.210 50 0 KEAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccc(C)c(NC(C)=O)c4)CC3)cc2NC1=O ZINC000064890091 554519723 /nfs/dbraw/zinc/51/97/23/554519723.db2.gz MRHGXSDYJKBKKO-NRFANRHFSA-N 0 0 500.577 2.210 50 0 KEAARN CC[C@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccc(OC)c(OC)c4)CC3)cc2NC1=O ZINC000064890126 554519788 /nfs/dbraw/zinc/51/97/88/554519788.db2.gz BSBTUOJOSYEMNK-CLOLKSBNSA-N 0 0 515.588 2.360 50 0 KEAARN CC[C@@H]1Oc2ccc(S(=O)(=O)N3CCN(C(=O)/C=C/c4ccc(OC)c(OC)c4)CC3)cc2NC1=O ZINC000064890127 554519741 /nfs/dbraw/zinc/51/97/41/554519741.db2.gz BSBTUOJOSYEMNK-FXVWLTTGSA-N 0 0 515.588 2.360 50 0 KEAARN CCCN1C(=O)c2c(C(=O)N3CCC4(CC3)OCCO4)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953031 554520641 /nfs/dbraw/zinc/52/06/41/554520641.db2.gz KPUSCNCXWNBENL-SANMLTNESA-N 0 0 509.607 2.112 50 0 biogenic KEAARN CCCN1C(=O)c2c(C(=O)N3CCC4(CC3)OCCO4)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953032 554520696 /nfs/dbraw/zinc/52/06/96/554520696.db2.gz KPUSCNCXWNBENL-AREMUKBSSA-N 0 0 509.607 2.112 50 0 biogenic KEAARN COCCNC(=O)[C@]1(C)Cn2cnc(C(=O)Nc3ccc(Br)cc3C)c2C(=O)N1C1CC1 ZINC000064954617 554522224 /nfs/dbraw/zinc/52/22/24/554522224.db2.gz CLPZQYWOOCSQFA-QFIPXVFZSA-N 0 0 504.385 2.346 50 0 KEAARN COCCNC(=O)[C@@]1(C)Cn2cnc(C(=O)Nc3ccc(Br)cc3C)c2C(=O)N1C1CC1 ZINC000064954620 554522218 /nfs/dbraw/zinc/52/22/18/554522218.db2.gz CLPZQYWOOCSQFA-JOCHJYFZSA-N 0 0 504.385 2.346 50 0 KEAARN COc1cc(NC(=O)NCCn2nnc3cc(S(=O)(=O)N4CCCC4)ccc32)cc(OC)c1OC ZINC000064956547 554522816 /nfs/dbraw/zinc/52/28/16/554522816.db2.gz NSWODPXMKULFRQ-UHFFFAOYSA-N 0 0 504.569 2.063 50 0 KEAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCCn1nnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064956590 554522810 /nfs/dbraw/zinc/52/28/10/554522810.db2.gz MKGMDRHUGYZQER-UHFFFAOYSA-N 0 0 506.972 2.478 50 0 KEAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@@H]2C1=O)N1CCN(c2ccccn2)CC1 ZINC000064957059 554522829 /nfs/dbraw/zinc/52/28/29/554522829.db2.gz QKOVGCYJRDFPGI-HSZRJFAPSA-N 0 0 502.619 2.372 50 0 KEAARN O=C(CN1c2cc(C(=O)N3CCCC3)ccc2N2CCCC[C@H]2C1=O)N1CCN(c2ccccn2)CC1 ZINC000064957062 554522769 /nfs/dbraw/zinc/52/27/69/554522769.db2.gz QKOVGCYJRDFPGI-QHCPKHFHSA-N 0 0 502.619 2.372 50 0 KEAARN COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)cc1 ZINC000064965565 554522823 /nfs/dbraw/zinc/52/28/23/554522823.db2.gz KEWYJAGCQYMOAJ-QGZVFWFLSA-N 0 0 519.645 2.107 50 0 KEAARN COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)cc1 ZINC000064965567 554522813 /nfs/dbraw/zinc/52/28/13/554522813.db2.gz KEWYJAGCQYMOAJ-KRWDZBQOSA-N 0 0 519.645 2.107 50 0 KEAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@@H](C)C2=O)c1 ZINC000064965568 554522762 /nfs/dbraw/zinc/52/27/62/554522762.db2.gz QGEORTYFUJAXMC-QGZVFWFLSA-N 0 0 519.645 2.107 50 0 KEAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3SC[C@H](C)C2=O)c1 ZINC000064965569 554522748 /nfs/dbraw/zinc/52/27/48/554522748.db2.gz QGEORTYFUJAXMC-KRWDZBQOSA-N 0 0 519.645 2.107 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2 ZINC000064965710 554523070 /nfs/dbraw/zinc/52/30/70/554523070.db2.gz AXEYLBTZWJLRFM-UHFFFAOYSA-N 0 0 506.378 2.336 50 0 KEAARN COc1ccc(-c2c(C(=O)N3CCN(C)CC3)nn3c2nc(C)cc3C)cc1S(=O)(=O)N1CCCC1 ZINC000065119029 554525316 /nfs/dbraw/zinc/52/53/16/554525316.db2.gz WTJGMEFGJPLURC-UHFFFAOYSA-N 0 0 512.636 2.194 50 0 KEAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)C4CCN(S(=O)(=O)N5CCOCC5)CC4)ccc32)c1 ZINC000065305016 554526184 /nfs/dbraw/zinc/52/61/84/554526184.db2.gz WSOSKVJXRHLDGO-UHFFFAOYSA-N 0 0 526.659 2.103 50 0 KEAARN COc1ccc(CN2CCc3c(c(=O)n4ncc(C(=O)NCc5ccc6c(c5)OCO6)c4n3C)C2)cc1 ZINC000065330859 554526262 /nfs/dbraw/zinc/52/62/62/554526262.db2.gz XNABWINUAURNBO-UHFFFAOYSA-N 0 0 501.543 2.259 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2cnn3c2n(CC)c2c(c3=O)CN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000065330866 554526658 /nfs/dbraw/zinc/52/66/58/554526658.db2.gz IINMUZSWVKUDST-UHFFFAOYSA-N 0 0 521.618 2.498 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)CC2)c(C)c1 ZINC000066124192 554528824 /nfs/dbraw/zinc/52/88/24/554528824.db2.gz PCOXOVQLIVMLFG-UHFFFAOYSA-N 0 0 542.079 2.124 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)c(C)c1 ZINC000066129043 554528892 /nfs/dbraw/zinc/52/88/92/554528892.db2.gz HIUOYFQXXTUEEV-UHFFFAOYSA-N 0 0 542.441 2.416 50 0 KEAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000066129171 554528931 /nfs/dbraw/zinc/52/89/31/554528931.db2.gz JOIWHFVALKTYQJ-UHFFFAOYSA-N 0 0 528.052 2.400 50 0 KEAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O ZINC000066136319 554529133 /nfs/dbraw/zinc/52/91/33/554529133.db2.gz HCHNAPRWUHYVPI-FATZIPQQSA-N 0 0 530.569 2.074 50 0 KEAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O ZINC000066136320 554529003 /nfs/dbraw/zinc/52/90/03/554529003.db2.gz HCHNAPRWUHYVPI-PSLXWICFSA-N 0 0 530.569 2.074 50 0 KEAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O ZINC000066136321 554529020 /nfs/dbraw/zinc/52/90/20/554529020.db2.gz HCHNAPRWUHYVPI-QKFKETGDSA-N 0 0 530.569 2.074 50 0 KEAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)C2=O ZINC000066136322 554529124 /nfs/dbraw/zinc/52/91/24/554529124.db2.gz HCHNAPRWUHYVPI-LFVRLGFBSA-N 0 0 530.569 2.074 50 0 KEAARN COc1cc2nc(CN3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)[nH]c(=O)c2cc1OC ZINC000066136332 554529148 /nfs/dbraw/zinc/52/91/48/554529148.db2.gz OMGSUMOYQLMEQB-UHFFFAOYSA-N 0 0 523.409 2.209 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)CC2)cc1 ZINC000066139700 554529077 /nfs/dbraw/zinc/52/90/77/554529077.db2.gz UARWBVYNWCAEJT-UHFFFAOYSA-N 0 0 551.687 2.454 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c(Cl)cc3Cl)CC2)cc1 ZINC000066156956 554529443 /nfs/dbraw/zinc/52/94/43/554529443.db2.gz VFXIKLQQFQLIDP-UHFFFAOYSA-N 0 0 562.497 2.469 50 0 KEAARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000066166757 554529468 /nfs/dbraw/zinc/52/94/68/554529468.db2.gz PCRGHTMEGOPCKX-QFIPXVFZSA-N 0 0 524.521 2.006 50 0 KEAARN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000066166758 554529499 /nfs/dbraw/zinc/52/94/99/554529499.db2.gz PCRGHTMEGOPCKX-JOCHJYFZSA-N 0 0 524.521 2.006 50 0 KEAARN COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000066167286 554529658 /nfs/dbraw/zinc/52/96/58/554529658.db2.gz RHLVRJYBEALHND-NRFANRHFSA-N 0 0 546.067 2.311 50 0 KEAARN CCCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1 ZINC000067337002 554530774 /nfs/dbraw/zinc/53/07/74/554530774.db2.gz GJWROAVMMUAQJL-UHFFFAOYSA-N 0 0 532.711 2.371 50 0 KEAARN CCCn1cc(C(=O)N2CCSCC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000067337043 554530748 /nfs/dbraw/zinc/53/07/48/554530748.db2.gz HIDXOMJAHRVCSP-UHFFFAOYSA-N 0 0 507.682 2.392 50 0 KEAARN CCCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000067337053 554530698 /nfs/dbraw/zinc/53/06/98/554530698.db2.gz BEBYCZUCZLWLSL-UHFFFAOYSA-N 0 0 532.711 2.369 50 0 KEAARN CCCn1cc(C(=O)N2CCC(=O)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000067337060 554530664 /nfs/dbraw/zinc/53/06/64/554530664.db2.gz MJDVSGSGRVQUGM-UHFFFAOYSA-N 0 0 503.625 2.008 50 0 KEAARN CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000067337217 554531011 /nfs/dbraw/zinc/53/10/11/554531011.db2.gz WVZREJWNTDHGPB-UHFFFAOYSA-N 0 0 509.076 2.142 50 0 KEAARN CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337285 554531058 /nfs/dbraw/zinc/53/10/58/554531058.db2.gz KIMCIXJCPAKUBL-UHFFFAOYSA-N 0 0 524.043 2.046 50 0 KEAARN CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000067337313 554531028 /nfs/dbraw/zinc/53/10/28/554531028.db2.gz RHEUTWCFVXXVMH-UHFFFAOYSA-N 0 0 509.076 2.235 50 0 KEAARN CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337315 554531052 /nfs/dbraw/zinc/53/10/52/554531052.db2.gz LWESEUPIEXVYRF-UHFFFAOYSA-N 0 0 509.076 2.234 50 0 KEAARN CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000067337375 554531046 /nfs/dbraw/zinc/53/10/46/554531046.db2.gz FBHLCLIIZWUMRM-UHFFFAOYSA-N 0 0 509.076 2.235 50 0 KEAARN CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000067337471 554531358 /nfs/dbraw/zinc/53/13/58/554531358.db2.gz LXWUMWQBMPCXDT-UHFFFAOYSA-N 0 0 517.652 2.010 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000067337477 554531319 /nfs/dbraw/zinc/53/13/19/554531319.db2.gz KKHIXSCURAWBHL-UHFFFAOYSA-N 0 0 531.679 2.446 50 0 KEAARN CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000067337481 554531258 /nfs/dbraw/zinc/53/12/58/554531258.db2.gz USYSTTOCOWVYAA-UHFFFAOYSA-N 0 0 502.685 2.199 50 0 KEAARN CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000067337483 554531240 /nfs/dbraw/zinc/53/12/40/554531240.db2.gz ZYLCLLPSTRKGFL-UHFFFAOYSA-N 0 0 502.685 2.197 50 0 KEAARN CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337541 554531246 /nfs/dbraw/zinc/53/12/46/554531246.db2.gz RUYCYTHBGNUTBG-UHFFFAOYSA-N 0 0 524.043 2.046 50 0 KEAARN CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000067337554 554531292 /nfs/dbraw/zinc/53/12/92/554531292.db2.gz ZQXOEUZRGISHIC-UHFFFAOYSA-N 0 0 509.076 2.235 50 0 KEAARN CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337559 554531249 /nfs/dbraw/zinc/53/12/49/554531249.db2.gz LLQGLLDQGXVCFR-UHFFFAOYSA-N 0 0 509.076 2.234 50 0 KEAARN CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000067337635 554531608 /nfs/dbraw/zinc/53/16/08/554531608.db2.gz LCEOVDMWOORGLT-UHFFFAOYSA-N 0 0 509.076 2.235 50 0 KEAARN CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000067337758 554531587 /nfs/dbraw/zinc/53/15/87/554531587.db2.gz LFMQEOOEMCOVFF-UHFFFAOYSA-N 0 0 509.076 2.142 50 0 KEAARN CCCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000067337845 554531592 /nfs/dbraw/zinc/53/15/92/554531592.db2.gz JAVYFYRKBUKZJD-UHFFFAOYSA-N 0 0 509.076 2.235 50 0 KEAARN CCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000067337943 554531982 /nfs/dbraw/zinc/53/19/82/554531982.db2.gz ZNQWRGOUXKFMRB-UHFFFAOYSA-N 0 0 509.076 2.061 50 0 KEAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(C(C)C)CC2)CC1 ZINC000067337947 554531992 /nfs/dbraw/zinc/53/19/92/554531992.db2.gz GZQLAZCGOROAJP-UHFFFAOYSA-N 0 0 509.076 2.059 50 0 KEAARN CCCCN1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000067337961 554531959 /nfs/dbraw/zinc/53/19/59/554531959.db2.gz KFHXBAIDAZMXOZ-UHFFFAOYSA-N 0 0 523.103 2.451 50 0 KEAARN CCn1cc(C(=O)N2CCN(CC)CC2)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000067338034 554531941 /nfs/dbraw/zinc/53/19/41/554531941.db2.gz ZQSARKZLFQUFRW-UHFFFAOYSA-N 0 0 509.076 2.153 50 0 KEAARN CCn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338273 554532237 /nfs/dbraw/zinc/53/22/37/554532237.db2.gz MFXSOGDOHSZAEE-UHFFFAOYSA-N 0 0 510.620 2.382 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)C1 ZINC000067338350 554532442 /nfs/dbraw/zinc/53/24/42/554532442.db2.gz KDCJFVNQMJKIFS-NRFANRHFSA-N 0 0 531.679 2.446 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)C1 ZINC000067338354 554532565 /nfs/dbraw/zinc/53/25/65/554532565.db2.gz KDCJFVNQMJKIFS-OAQYLSRUSA-N 0 0 531.679 2.446 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000067338356 554532539 /nfs/dbraw/zinc/53/25/39/554532539.db2.gz OOYAZTDHQKVIRK-UHFFFAOYSA-N 0 0 531.679 2.446 50 0 KEAARN CCCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000067338388 554532451 /nfs/dbraw/zinc/53/24/51/554532451.db2.gz VWMXXROYIRCLEL-UHFFFAOYSA-N 0 0 502.685 2.199 50 0 KEAARN CCn1cc(C(=O)N2CCN(C(C)C)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338392 554532526 /nfs/dbraw/zinc/53/25/26/554532526.db2.gz PONSMVOJRBMKJJ-UHFFFAOYSA-N 0 0 502.685 2.197 50 0 KEAARN CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2C[C@@H](O)[C@@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H]1O ZINC000067902570 554535524 /nfs/dbraw/zinc/53/55/24/554535524.db2.gz DKYDBQQIQAPGMH-KJEWLKFESA-N 0 0 550.689 2.081 50 0 biogenic,in-vitro KEAARN CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC ZINC000068202727 554538509 /nfs/dbraw/zinc/53/85/09/554538509.db2.gz VFUXSYAXEKYYMB-UHFFFAOYSA-N 0 0 574.671 2.275 50 0 in-vitro KEAARN Cc1cnn([C@@H](C)[C@@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706170 553593575 /nfs/dbraw/zinc/59/35/75/553593575.db2.gz HACGYWPEHPNBHC-YADHBBJMSA-N 0 0 519.693 2.400 50 0 KEAARN Cc1cnn([C@H](C)[C@@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706172 553593445 /nfs/dbraw/zinc/59/34/45/553593445.db2.gz HACGYWPEHPNBHC-FGZHOGPDSA-N 0 0 519.693 2.400 50 0 KEAARN Cc1cnn([C@@H](C)[C@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706174 553593497 /nfs/dbraw/zinc/59/34/97/553593497.db2.gz HACGYWPEHPNBHC-VXKWHMMOSA-N 0 0 519.693 2.400 50 0 KEAARN Cc1cnn([C@H](C)[C@H](C)N(CCNS(=O)(=O)c2ccccc2)CCNS(=O)(=O)c2ccccc2)c1 ZINC000069706176 553593655 /nfs/dbraw/zinc/59/36/55/553593655.db2.gz HACGYWPEHPNBHC-FCHUYYIVSA-N 0 0 519.693 2.400 50 0 KEAARN COC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(C)C ZINC000070664588 553594729 /nfs/dbraw/zinc/59/47/29/553594729.db2.gz FRTQTNIVGUIILF-ZEYPLWLESA-N 0 0 622.716 2.371 50 0 biogenic KEAARN COC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(C)C ZINC000070664590 553594751 /nfs/dbraw/zinc/59/47/51/553594751.db2.gz FRTQTNIVGUIILF-HARLFGEKSA-N 0 0 622.716 2.371 50 0 biogenic KEAARN CC(C)C[C@@H](NC(=O)C1(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CCCCC1)C(=O)NCC(N)=O ZINC000070664683 553594974 /nfs/dbraw/zinc/59/49/74/553594974.db2.gz SDEOENPTQLLONB-CLJLJLNGSA-N 0 0 593.725 2.476 50 0 biogenic KEAARN Cc1oc2cc(OCC(=O)N3CCC[C@H]3C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000070664785 553595191 /nfs/dbraw/zinc/59/51/91/553595191.db2.gz AUWROYFDPQQGCR-RPWUZVMVSA-N 0 0 634.686 2.042 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2cscn2)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070664947 553595542 /nfs/dbraw/zinc/59/55/42/553595542.db2.gz FTTWZJAWPMLVKX-XDXGNBCUSA-N 0 0 575.548 2.378 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665117 553595843 /nfs/dbraw/zinc/59/58/43/553595843.db2.gz FHAFYTMDIMBRQD-RKJAVHAZSA-N 0 0 592.525 2.255 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070665288 553596047 /nfs/dbraw/zinc/59/60/47/553596047.db2.gz DHEYTJVPOXJDMJ-WSGIOKLISA-N 0 0 579.580 2.044 50 0 biogenic KEAARN Cc1oc2cc(OCC(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NC(=O)CN)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000070665435 553596263 /nfs/dbraw/zinc/59/62/63/553596263.db2.gz YYDNTRUSBQCYPN-DNQXCXABSA-N 0 0 594.640 2.410 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070670147 553600627 /nfs/dbraw/zinc/60/06/27/553600627.db2.gz LLLNTXZITKTKCA-KCYOCBRTSA-N 0 0 557.552 2.079 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070670153 553600612 /nfs/dbraw/zinc/60/06/12/553600612.db2.gz ZFKVWNUPWMEURA-KCYOCBRTSA-N 0 0 557.552 2.079 50 0 biogenic KEAARN COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 ZINC000070672336 553602120 /nfs/dbraw/zinc/60/21/20/553602120.db2.gz OSPUWYWJNWIARF-MJXUZWQSSA-N 0 0 604.561 2.124 50 0 biogenic KEAARN COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 ZINC000070672343 553602030 /nfs/dbraw/zinc/60/20/30/553602030.db2.gz OSPUWYWJNWIARF-SXEGYFPYSA-N 0 0 604.561 2.124 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672377 553602044 /nfs/dbraw/zinc/60/20/44/553602044.db2.gz OPQDOPWWBGEPER-JZVHMONDSA-N 0 0 630.599 2.441 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672382 553601965 /nfs/dbraw/zinc/60/19/65/553601965.db2.gz OPQDOPWWBGEPER-HYKJKDMVSA-N 0 0 630.599 2.441 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672395 553602067 /nfs/dbraw/zinc/60/20/67/553602067.db2.gz NWOGROLFEFUITG-IEAFHPEVSA-N 0 0 576.526 2.419 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672400 553602010 /nfs/dbraw/zinc/60/20/10/553602010.db2.gz NWOGROLFEFUITG-RKJAVHAZSA-N 0 0 576.526 2.419 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672456 553602481 /nfs/dbraw/zinc/60/24/81/553602481.db2.gz NNWAGEQDNUVUNB-IEAFHPEVSA-N 0 0 558.536 2.280 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672461 553602391 /nfs/dbraw/zinc/60/23/91/553602391.db2.gz NNWAGEQDNUVUNB-RKJAVHAZSA-N 0 0 558.536 2.280 50 0 biogenic KEAARN CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(OC(=O)N(c2ccccc2)c2ccccc2)n1 ZINC000070672524 553602413 /nfs/dbraw/zinc/60/24/13/553602413.db2.gz QOZZETQXMWDKFZ-GUQHISFFSA-N 0 0 548.556 2.369 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070680886 553604572 /nfs/dbraw/zinc/60/45/72/553604572.db2.gz XZVTYSMAGDMFFS-YKUHLWEKSA-N 0 0 560.552 2.442 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070686480 553605330 /nfs/dbraw/zinc/60/53/30/553605330.db2.gz BRCZNBQDTXWHFH-VRCQNKPTSA-N 0 0 546.525 2.052 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070686735 553605636 /nfs/dbraw/zinc/60/56/36/553605636.db2.gz SMLDASGOAYDLQO-HOZVGSINSA-N 0 0 560.552 2.442 50 0 biogenic KEAARN Cc1c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000070687622 553607001 /nfs/dbraw/zinc/60/70/01/553607001.db2.gz CHBDVMRGZGGYEG-UDNBHOFDSA-N 0 0 575.662 2.457 50 0 biogenic KEAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000070691576 553608077 /nfs/dbraw/zinc/60/80/77/553608077.db2.gz XAKSFGPHKQCSPF-YGXLPCTBSA-N 0 0 541.645 2.207 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070691607 553608132 /nfs/dbraw/zinc/60/81/32/553608132.db2.gz BRCZNBQDTXWHFH-NYZPJPFGSA-N 0 0 546.525 2.052 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)c(C)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070691608 553608183 /nfs/dbraw/zinc/60/81/83/553608183.db2.gz PVMMAVRPFKDKTI-WLPYWIPGSA-N 0 0 534.514 2.180 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070691642 553608128 /nfs/dbraw/zinc/60/81/28/553608128.db2.gz LIVSBWIOFFHOTO-VRCQNKPTSA-N 0 0 546.525 2.052 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070691675 553608294 /nfs/dbraw/zinc/60/82/94/553608294.db2.gz LIVSBWIOFFHOTO-NYZPJPFGSA-N 0 0 546.525 2.052 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(C)c(C)c(=O)oc3c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070691809 553608613 /nfs/dbraw/zinc/60/86/13/553608613.db2.gz PVMMAVRPFKDKTI-DNMDETFRSA-N 0 0 534.514 2.180 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c(C)c(C)c23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070691843 553608586 /nfs/dbraw/zinc/60/85/86/553608586.db2.gz RZTGBYNOHDNOPN-DNMDETFRSA-N 0 0 534.514 2.180 50 0 biogenic KEAARN CCCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 ZINC000070691874 553608588 /nfs/dbraw/zinc/60/85/88/553608588.db2.gz HXXOYWHFIPTEDY-XDXGNBCUSA-N 0 0 534.514 2.207 50 0 biogenic KEAARN CCc1cc(=O)oc2cc(C)cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c12 ZINC000070691882 553608625 /nfs/dbraw/zinc/60/86/25/553608625.db2.gz WRXNVPRYUWPZJK-DDLBMNSQSA-N 0 0 534.514 2.126 50 0 biogenic KEAARN CCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 ZINC000070691915 553608823 /nfs/dbraw/zinc/60/88/23/553608823.db2.gz DRTWYOMLVCKCMG-DDLBMNSQSA-N 0 0 534.514 2.126 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070699014 553615312 /nfs/dbraw/zinc/61/53/12/553615312.db2.gz XZVTYSMAGDMFFS-XCUBKVFDSA-N 0 0 560.552 2.442 50 0 biogenic KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000070700349 553618193 /nfs/dbraw/zinc/61/81/93/553618193.db2.gz SMLDASGOAYDLQO-XCUBKVFDSA-N 0 0 560.552 2.442 50 0 biogenic KEAARN CC1(C)CCc2c(cc(OCC(=O)NCC(=O)NCC(=O)NC3CC3)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000070708499 553633083 /nfs/dbraw/zinc/63/30/83/553633083.db2.gz CWOYAXKUHHOVDK-UHFFFAOYSA-N 0 0 533.581 2.453 50 0 biogenic KEAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000070712143 553633047 /nfs/dbraw/zinc/63/30/47/553633047.db2.gz DENAINJVSPVEOB-YLLXKFEGSA-N 0 0 583.623 2.078 50 0 biogenic KEAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccccc2)n1CC(C)C ZINC000070712148 553633118 /nfs/dbraw/zinc/63/31/18/553633118.db2.gz KPCRYRRUYSHRNL-GAQRMDFMSA-N 0 0 562.645 2.349 50 0 biogenic KEAARN CCCn1c2ccccc2nc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712150 553633128 /nfs/dbraw/zinc/63/31/28/553633128.db2.gz XTKCEVAHHCAADL-JLMDMGSGSA-N 0 0 521.592 2.195 50 0 biogenic KEAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccccc2)n1C(C)C ZINC000070712162 553633037 /nfs/dbraw/zinc/63/30/37/553633037.db2.gz CFCDMXJJJIXQRY-MOGNJTFLSA-N 0 0 548.618 2.274 50 0 biogenic KEAARN CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712210 553633545 /nfs/dbraw/zinc/63/35/45/553633545.db2.gz DCNCLUWIZKDKJI-LBRNTXKHSA-N 0 0 599.062 2.279 50 0 biogenic KEAARN CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712241 553633687 /nfs/dbraw/zinc/63/36/87/553633687.db2.gz CBDVADVIHJPHMA-LBRNTXKHSA-N 0 0 599.062 2.279 50 0 biogenic KEAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1C ZINC000070712294 553633926 /nfs/dbraw/zinc/63/39/26/553633926.db2.gz VUEIIBXTOTUGJY-OSQINFKHSA-N 0 0 606.698 2.440 50 0 biogenic KEAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(=O)N[C@H](C(=O)NC[C@@H]4CCCO4)C(C)C)ccc32)cc1 ZINC000070712355 553633911 /nfs/dbraw/zinc/63/39/11/553633911.db2.gz DWLPWAMBAGMZAI-ZTOMLWHTSA-N 0 0 565.623 2.400 50 0 biogenic KEAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(=O)N[C@H](C(=O)NC[C@H]4CCCO4)C(C)C)ccc32)cc1 ZINC000070712359 553634025 /nfs/dbraw/zinc/63/40/25/553634025.db2.gz DWLPWAMBAGMZAI-MNNSJKJDSA-N 0 0 565.623 2.400 50 0 biogenic KEAARN COc1cc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc(OC)c1OC ZINC000071328396 553635010 /nfs/dbraw/zinc/63/50/10/553635010.db2.gz ZUDQZCOLKWPXNK-UHFFFAOYSA-N 0 0 509.475 2.456 50 0 KEAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)nc2N)cc1 ZINC000071772054 553636827 /nfs/dbraw/zinc/63/68/27/553636827.db2.gz BZOGWMOXSZKVSZ-UHFFFAOYSA-N 0 0 529.619 2.248 50 0 KEAARN O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000071772365 553636806 /nfs/dbraw/zinc/63/68/06/553636806.db2.gz DHWVPOBFEWYGBK-UHFFFAOYSA-N 0 0 502.531 2.136 50 0 KEAARN CCOC(=O)c1sccc1NC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000071772472 553636892 /nfs/dbraw/zinc/63/68/92/553636892.db2.gz FVNQMYKVGMGSGC-UHFFFAOYSA-N 0 0 504.590 2.448 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1OC ZINC000071772517 553636768 /nfs/dbraw/zinc/63/67/68/553636768.db2.gz UERCVZMDFVDZCL-GOSISDBHSA-N 0 0 528.631 2.336 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1OC ZINC000071772520 553636875 /nfs/dbraw/zinc/63/68/75/553636875.db2.gz UERCVZMDFVDZCL-SFHVURJKSA-N 0 0 528.631 2.336 50 0 KEAARN CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21 ZINC000072099493 553640002 /nfs/dbraw/zinc/64/00/02/553640002.db2.gz QGXKMJVEULWQSB-VWNXMTODSA-N 0 0 524.628 2.106 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000072104270 553640326 /nfs/dbraw/zinc/64/03/26/553640326.db2.gz PQXOTIXFMJFVRV-UHFFFAOYSA-N 0 0 558.078 2.409 50 0 KEAARN COc1ccc(CCN2C[C@H](C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2=O)cc1OC ZINC000072121479 553640606 /nfs/dbraw/zinc/64/06/06/553640606.db2.gz NPAJJHBORBNWRI-GOSISDBHSA-N 0 0 531.993 2.389 50 0 KEAARN COc1ccc(CCN2C[C@@H](C(=O)OCC(=O)N(C)CC(=O)Nc3ccccc3Cl)CC2=O)cc1OC ZINC000072121480 553640610 /nfs/dbraw/zinc/64/06/10/553640610.db2.gz NPAJJHBORBNWRI-SFHVURJKSA-N 0 0 531.993 2.389 50 0 KEAARN COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)ccc1OC(F)F ZINC000072136250 553644332 /nfs/dbraw/zinc/64/43/32/553644332.db2.gz VIVQPEKZOODHKS-UHFFFAOYSA-N 0 0 527.546 2.406 50 0 KEAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000072136548 553644404 /nfs/dbraw/zinc/64/44/04/553644404.db2.gz SRWVPFHNNMUAQN-UHFFFAOYSA-N 0 0 564.469 2.288 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000072137877 562728478 /nfs/dbraw/zinc/72/84/78/562728478.db2.gz GQYKKSPFGLJNCW-YRNVUSSQSA-N 0 0 547.630 2.463 50 0 KEAARN COCCN(C(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072137888 553644592 /nfs/dbraw/zinc/64/45/92/553644592.db2.gz QJBCZNZGQJAFLE-UHFFFAOYSA-N 0 0 544.992 2.201 50 0 KEAARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000072137990 553644624 /nfs/dbraw/zinc/64/46/24/553644624.db2.gz CMNWWKDTPUBRTE-QFIPXVFZSA-N 0 0 538.022 2.297 50 0 KEAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1S(=O)(=O)N1CCCCC1 ZINC000072138448 553644668 /nfs/dbraw/zinc/64/46/68/553644668.db2.gz ZBHZDFHXAGPLPD-UHFFFAOYSA-N 0 0 537.660 2.451 50 0 KEAARN O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000072138488 553644632 /nfs/dbraw/zinc/64/46/32/553644632.db2.gz AJYKYNDYZAMATB-UHFFFAOYSA-N 0 0 566.460 2.300 50 0 KEAARN Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000072138542 553644653 /nfs/dbraw/zinc/64/46/53/553644653.db2.gz WNRDYIOECBDRQV-UHFFFAOYSA-N 0 0 545.035 2.015 50 0 KEAARN COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1S(=O)(=O)N1CCOCC1 ZINC000072139805 553644908 /nfs/dbraw/zinc/64/49/08/553644908.db2.gz XHRJJQZWTSCPOT-UHFFFAOYSA-N 0 0 537.660 2.451 50 0 KEAARN CC(C)(C)OC(=O)NC1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 ZINC000072329723 553648942 /nfs/dbraw/zinc/64/89/42/553648942.db2.gz NRGVVNMGWCEACE-UHFFFAOYSA-N 0 0 526.550 2.308 50 0 KEAARN Cc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c1 ZINC000072329735 553648948 /nfs/dbraw/zinc/64/89/48/553648948.db2.gz LUIRPWUETAWZJF-UHFFFAOYSA-N 0 0 502.531 2.449 50 0 KEAARN COc1ccccc1N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 ZINC000072329738 553649061 /nfs/dbraw/zinc/64/90/61/553649061.db2.gz NUPCINFGOAKKON-UHFFFAOYSA-N 0 0 518.530 2.149 50 0 KEAARN COc1cccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)c1 ZINC000072329739 553649006 /nfs/dbraw/zinc/64/90/06/553649006.db2.gz PLNSWLBIFLHWFT-UHFFFAOYSA-N 0 0 518.530 2.149 50 0 KEAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccccc2F)CC1 ZINC000072329741 553649052 /nfs/dbraw/zinc/64/90/52/553649052.db2.gz NQVYQCFFNWEZNF-UHFFFAOYSA-N 0 0 506.494 2.280 50 0 KEAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000072329742 553648995 /nfs/dbraw/zinc/64/89/95/553648995.db2.gz WZIOTRRKVKUNAS-UHFFFAOYSA-N 0 0 506.494 2.280 50 0 KEAARN Cc1ccccc1N1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 ZINC000072329754 553648962 /nfs/dbraw/zinc/64/89/62/553648962.db2.gz QTHPYDSRNIODDN-UHFFFAOYSA-N 0 0 502.531 2.449 50 0 KEAARN Cc1ccc(N2CCN(C(=O)CN3N=C(c4nc(-c5ccc6c(c5)OCO6)no4)CCC3=O)CC2)cc1 ZINC000072329755 553648950 /nfs/dbraw/zinc/64/89/50/553648950.db2.gz PUPMIAKNBNLYLQ-UHFFFAOYSA-N 0 0 502.531 2.449 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332019 553649443 /nfs/dbraw/zinc/64/94/43/553649443.db2.gz MZPADPISFSENDI-UHFFFAOYSA-N 0 0 518.526 2.394 50 0 KEAARN COc1ccc(CNC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072332058 553649665 /nfs/dbraw/zinc/64/96/65/553649665.db2.gz WHPXOJKKRGDBPK-UHFFFAOYSA-N 0 0 504.543 2.293 50 0 KEAARN COc1cccc(CNC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000072332059 553649672 /nfs/dbraw/zinc/64/96/72/553649672.db2.gz KYBQZFDHPNYMMV-UHFFFAOYSA-N 0 0 504.543 2.293 50 0 KEAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc2c(c1)OCO2 ZINC000072332061 553649687 /nfs/dbraw/zinc/64/96/87/553649687.db2.gz CZCOHSWLOHEMMI-UHFFFAOYSA-N 0 0 504.499 2.336 50 0 KEAARN COC(=O)c1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072332064 553649612 /nfs/dbraw/zinc/64/96/12/553649612.db2.gz WDRMBFZALJOBPN-UHFFFAOYSA-N 0 0 518.526 2.394 50 0 KEAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000072332065 553649685 /nfs/dbraw/zinc/64/96/85/553649685.db2.gz YOOKXLOKBLNQOH-UHFFFAOYSA-N 0 0 518.526 2.013 50 0 KEAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000072332068 553649646 /nfs/dbraw/zinc/64/96/46/553649646.db2.gz ACXAUCKLYPSBQU-UHFFFAOYSA-N 0 0 518.526 2.378 50 0 KEAARN CCc1cc(=O)oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(Cl)cc12 ZINC000072332923 553650346 /nfs/dbraw/zinc/65/03/46/553650346.db2.gz HYVXPHGGLPRFAX-JRBASJLZSA-N 0 0 554.932 2.471 50 0 biogenic KEAARN COc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079183237 553666417 /nfs/dbraw/zinc/66/64/17/553666417.db2.gz MDJQNVLLOYHRIM-QNLYJVETSA-N 0 0 643.642 2.201 50 0 biogenic KEAARN COc1cc(C(=O)NC[C@H]2OCCc3ccccc32)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079183239 553666371 /nfs/dbraw/zinc/66/63/71/553666371.db2.gz MDJQNVLLOYHRIM-VZEPEYMKSA-N 0 0 643.642 2.201 50 0 biogenic KEAARN COc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079183240 553666353 /nfs/dbraw/zinc/66/63/53/553666353.db2.gz MDJQNVLLOYHRIM-BYKDOIGYSA-N 0 0 643.642 2.201 50 0 biogenic KEAARN COc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079183241 553666363 /nfs/dbraw/zinc/66/63/63/553666363.db2.gz MDJQNVLLOYHRIM-WIXJLUAUSA-N 0 0 643.642 2.201 50 0 biogenic KEAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NC(C)C)C(C)C)occ3-c1ccccc1 ZINC000079232014 553672522 /nfs/dbraw/zinc/67/25/22/553672522.db2.gz XQTVLKBKUIUZEC-XIFFEERXSA-N 0 0 659.740 2.461 50 0 biogenic KEAARN O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)CC1 ZINC000085641337 553685411 /nfs/dbraw/zinc/68/54/11/553685411.db2.gz ZJKLACRITPIJKL-UHFFFAOYSA-N 0 0 505.618 2.430 50 0 KEAARN CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1 ZINC000085641429 553685342 /nfs/dbraw/zinc/68/53/42/553685342.db2.gz OGGARVOPCOOYGQ-UHFFFAOYSA-N 0 0 505.618 2.463 50 0 KEAARN O=C(c1csc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1)N1CCOCC1 ZINC000085641513 553685439 /nfs/dbraw/zinc/68/54/39/553685439.db2.gz WHSIBQDWILMMNP-UHFFFAOYSA-N 0 0 503.646 2.206 50 0 KEAARN CCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000085867194 553687641 /nfs/dbraw/zinc/68/76/41/553687641.db2.gz GUCQNCIRWXJSOI-FTBPSBKWSA-N 0 0 707.822 2.267 50 0 biogenic KEAARN CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000085867198 553687635 /nfs/dbraw/zinc/68/76/35/553687635.db2.gz GUCQNCIRWXJSOI-GVXSCFBNSA-N 0 0 707.822 2.267 50 0 biogenic KEAARN CCOC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000085867203 553687653 /nfs/dbraw/zinc/68/76/53/553687653.db2.gz GUCQNCIRWXJSOI-GPUOULLFSA-N 0 0 707.822 2.267 50 0 biogenic KEAARN CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C ZINC000085867205 553687683 /nfs/dbraw/zinc/68/76/83/553687683.db2.gz GUCQNCIRWXJSOI-TUSQITKMSA-N 0 0 707.822 2.267 50 0 biogenic KEAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000085867382 553687650 /nfs/dbraw/zinc/68/76/50/553687650.db2.gz CZFHMSJYSYEZBZ-ZONZVBGPSA-N 0 0 667.833 2.159 50 0 biogenic KEAARN COc1cc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085867645 553687872 /nfs/dbraw/zinc/68/78/72/553687872.db2.gz ZHZATSUJZMAMLO-BRTRGEQZSA-N 0 0 659.641 2.115 50 0 biogenic KEAARN COc1cc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085867651 553687888 /nfs/dbraw/zinc/68/78/88/553687888.db2.gz ZHZATSUJZMAMLO-XNBFJONHSA-N 0 0 659.641 2.115 50 0 biogenic KEAARN COc1cc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085867658 553687949 /nfs/dbraw/zinc/68/79/49/553687949.db2.gz ZHZATSUJZMAMLO-KCOILWLUSA-N 0 0 659.641 2.115 50 0 biogenic KEAARN COc1cc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085867663 553687880 /nfs/dbraw/zinc/68/78/80/553687880.db2.gz ZHZATSUJZMAMLO-FZHAUWNLSA-N 0 0 659.641 2.115 50 0 biogenic KEAARN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cc2occ(-c3ccc4c(c3)OCCO4)c(O)c-2c(=O)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000085893593 553690650 /nfs/dbraw/zinc/69/06/50/553690650.db2.gz KRVIIMWSCXORIQ-NHKHRBQYSA-N 0 0 786.839 2.407 50 0 biogenic KEAARN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc2occ(-c3ccc4c(c3)OCCO4)c(O)c-2c(=O)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000085911544 553692303 /nfs/dbraw/zinc/69/23/03/553692303.db2.gz KRVIIMWSCXORIQ-ZGIBFIJWSA-N 0 0 786.839 2.407 50 0 biogenic KEAARN CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000094303156 553695834 /nfs/dbraw/zinc/69/58/34/553695834.db2.gz SFCZXSUFIPUMPQ-AFKVWEBKSA-N 0 0 729.732 2.015 50 0 KEAARN CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@@H]1OCc1ccccc1 ZINC000094303157 553695872 /nfs/dbraw/zinc/69/58/72/553695872.db2.gz SFCZXSUFIPUMPQ-UJEXSXRDSA-N 0 0 729.732 2.015 50 0 KEAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000095393644 553700957 /nfs/dbraw/zinc/70/09/57/553700957.db2.gz WFTFXUDXBBZVMR-FQEVSTJZSA-N 0 0 503.555 2.222 50 0 KEAARN O=C1c2cccc3cccc(c32)C(=O)N1CCN1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000095393645 553701111 /nfs/dbraw/zinc/70/11/11/553701111.db2.gz WFTFXUDXBBZVMR-HXUWFJFHSA-N 0 0 503.555 2.222 50 0 KEAARN O=C1C[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(I)cc1 ZINC000095531924 553702564 /nfs/dbraw/zinc/70/25/64/553702564.db2.gz QPPXQBDTYLQUMB-SFHVURJKSA-N 0 0 519.339 2.470 50 0 KEAARN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000095567928 553704657 /nfs/dbraw/zinc/70/46/57/553704657.db2.gz JGOLOMLRGQOOAW-UHFFFAOYSA-N 0 0 588.104 2.421 50 0 KEAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)C2=O)cc1 ZINC000095568114 553704631 /nfs/dbraw/zinc/70/46/31/553704631.db2.gz OXQHZKLQGSUWSB-AREMUKBSSA-N 0 0 544.630 2.209 50 0 KEAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3OC(C)C)C2=O)cc1 ZINC000095568115 553704627 /nfs/dbraw/zinc/70/46/27/553704627.db2.gz OXQHZKLQGSUWSB-SANMLTNESA-N 0 0 544.630 2.209 50 0 KEAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)CC2)c1C ZINC000095568164 553704747 /nfs/dbraw/zinc/70/47/47/553704747.db2.gz OBPJYWBHGWHMCG-UHFFFAOYSA-N 0 0 553.678 2.227 50 0 KEAARN Nc1c(N(CCCO)C(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000095570042 553704811 /nfs/dbraw/zinc/70/48/11/553704811.db2.gz HRCGGGSXXJTGEC-UHFFFAOYSA-N 0 0 555.591 2.112 50 0 KEAARN CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC ZINC000095570200 553704851 /nfs/dbraw/zinc/70/48/51/553704851.db2.gz OEWXSKUKWXFIBG-UHFFFAOYSA-N 0 0 534.631 2.329 50 0 KEAARN CCOC(=O)c1cc(OC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc(C(=O)OCC)c1 ZINC000095570584 553705076 /nfs/dbraw/zinc/70/50/76/553705076.db2.gz DMZCXZMMLVMUPU-UHFFFAOYSA-N 0 0 535.571 2.218 50 0 KEAARN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)ccc1OCC(=O)N1CCOCC1 ZINC000095570617 553705073 /nfs/dbraw/zinc/70/50/73/553705073.db2.gz QSOTULWFJAOVOG-UHFFFAOYSA-N 0 0 545.658 2.203 50 0 KEAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)Nc1cccc(Br)c1 ZINC000095570756 553705055 /nfs/dbraw/zinc/70/50/55/553705055.db2.gz RFFHXVYUXAWMDW-QFIPXVFZSA-N 0 0 582.473 2.406 50 0 KEAARN CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000095626582 553706216 /nfs/dbraw/zinc/70/62/16/553706216.db2.gz UZSVAKVMBBLRTM-HSZRJFAPSA-N 0 0 516.598 2.452 50 0 KEAARN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000095626583 553706237 /nfs/dbraw/zinc/70/62/37/553706237.db2.gz UZSVAKVMBBLRTM-QHCPKHFHSA-N 0 0 516.598 2.452 50 0 KEAARN COc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000095946463 553716130 /nfs/dbraw/zinc/71/61/30/553716130.db2.gz DWRAQOQYXWUFMX-PMACEKPBSA-N 0 0 510.634 2.277 50 0 KEAARN COc1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000095946464 553716140 /nfs/dbraw/zinc/71/61/40/553716140.db2.gz DWRAQOQYXWUFMX-VQTJNVASSA-N 0 0 510.634 2.277 50 0 KEAARN COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000095946465 553716136 /nfs/dbraw/zinc/71/61/36/553716136.db2.gz DWRAQOQYXWUFMX-UXHICEINSA-N 0 0 510.634 2.277 50 0 KEAARN COc1ccc(-c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000095946466 553716132 /nfs/dbraw/zinc/71/61/32/553716132.db2.gz DWRAQOQYXWUFMX-WOJBJXKFSA-N 0 0 510.634 2.277 50 0 KEAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O ZINC000096018729 553716283 /nfs/dbraw/zinc/71/62/83/553716283.db2.gz AKWOULSEQUQCTK-SANMLTNESA-N 0 0 542.614 2.428 50 0 KEAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O ZINC000096018730 553716339 /nfs/dbraw/zinc/71/63/39/553716339.db2.gz AKWOULSEQUQCTK-AREMUKBSSA-N 0 0 542.614 2.428 50 0 KEAARN Cn1c2nc(N3CCN(C(=O)c4ccco4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)[nH]c1=O ZINC000096019764 553716566 /nfs/dbraw/zinc/71/65/66/553716566.db2.gz QGMRXYVDXCRMDB-UHFFFAOYSA-N 0 0 537.627 2.381 50 0 KEAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000096019768 553716580 /nfs/dbraw/zinc/71/65/80/553716580.db2.gz VOTODUOVYCPXBB-UHFFFAOYSA-N 0 0 579.090 2.182 50 0 KEAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O ZINC000096019783 553716596 /nfs/dbraw/zinc/71/65/96/553716596.db2.gz WPLUCINDFYBZPK-SANMLTNESA-N 0 0 542.564 2.418 50 0 KEAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1=O ZINC000096019784 553716573 /nfs/dbraw/zinc/71/65/73/553716573.db2.gz WPLUCINDFYBZPK-AREMUKBSSA-N 0 0 542.564 2.418 50 0 KEAARN CCOC(=O)N1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1 ZINC000096019791 553716893 /nfs/dbraw/zinc/71/68/93/553716893.db2.gz ZNGHREOHIPKFIF-UHFFFAOYSA-N 0 0 529.648 2.114 50 0 KEAARN Cn1c2nc(N3CCN(C(=O)c4ccco4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O ZINC000096019849 553716876 /nfs/dbraw/zinc/71/68/76/553716876.db2.gz TYTQSLDDEKGUFG-UHFFFAOYSA-N 0 0 551.654 2.391 50 0 KEAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000096019853 553716911 /nfs/dbraw/zinc/71/69/11/553716911.db2.gz FNXMGRVDHVVMLB-UHFFFAOYSA-N 0 0 596.637 2.171 50 0 KEAARN C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000096019929 553717131 /nfs/dbraw/zinc/71/71/31/553717131.db2.gz VPWIVZZFZBTLIL-VWLOTQADSA-N 0 0 528.587 2.038 50 0 KEAARN C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O ZINC000096019932 553717099 /nfs/dbraw/zinc/71/70/99/553717099.db2.gz VPWIVZZFZBTLIL-RUZDIDTESA-N 0 0 528.587 2.038 50 0 KEAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC ZINC000096021885 553718117 /nfs/dbraw/zinc/71/81/17/553718117.db2.gz KJQDPTHEALVKIQ-KRWDZBQOSA-N 0 0 531.587 2.092 50 0 KEAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC ZINC000096021886 553718196 /nfs/dbraw/zinc/71/81/96/553718196.db2.gz KJQDPTHEALVKIQ-QGZVFWFLSA-N 0 0 531.587 2.092 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000096022399 553720955 /nfs/dbraw/zinc/72/09/55/553720955.db2.gz AVSHDWPJCNVDBH-WAPCQROESA-N 0 0 664.847 2.468 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000096022400 553720982 /nfs/dbraw/zinc/72/09/82/553720982.db2.gz AVSHDWPJCNVDBH-NEWJYFPISA-N 0 0 664.847 2.468 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000096022401 553721286 /nfs/dbraw/zinc/72/12/86/553721286.db2.gz AVSHDWPJCNVDBH-YCAMKHIRSA-N 0 0 664.847 2.468 50 0 KEAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000096022410 553721282 /nfs/dbraw/zinc/72/12/82/553721282.db2.gz KLNDFZZELBXHSR-UHFFFAOYSA-N 0 0 548.687 2.345 50 0 KEAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 ZINC000096022515 553721486 /nfs/dbraw/zinc/72/14/86/553721486.db2.gz IWTMEQUUSYTBES-UHFFFAOYSA-N 0 0 620.731 2.295 50 0 KEAARN CCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(C)n(C)c2=O)c1 ZINC000096115288 553725709 /nfs/dbraw/zinc/72/57/09/553725709.db2.gz PCHPEHQOURPNLS-QUCCMNQESA-N 0 0 501.587 2.481 50 0 biogenic KEAARN COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccccn4)CC3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000096125580 553726931 /nfs/dbraw/zinc/72/69/31/553726931.db2.gz WHRUVMHLIRNTJT-JOCHJYFZSA-N 0 0 509.632 2.314 50 0 KEAARN COc1ccc(-c2cc(C(=O)N3CCN(CCc4ccccn4)CC3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000096125581 553727226 /nfs/dbraw/zinc/72/72/26/553727226.db2.gz WHRUVMHLIRNTJT-QFIPXVFZSA-N 0 0 509.632 2.314 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2)cc1 ZINC000096210073 553729158 /nfs/dbraw/zinc/72/91/58/553729158.db2.gz QHSCRQZUQKBPLX-ZEQRLZLVSA-N 0 0 507.587 2.464 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2)cc1 ZINC000096210074 553729154 /nfs/dbraw/zinc/72/91/54/553729154.db2.gz QHSCRQZUQKBPLX-BJKOFHAPSA-N 0 0 507.587 2.464 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2)cc1 ZINC000096210075 553729161 /nfs/dbraw/zinc/72/91/61/553729161.db2.gz QHSCRQZUQKBPLX-RPWUZVMVSA-N 0 0 507.587 2.464 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2)cc1 ZINC000096210076 553729167 /nfs/dbraw/zinc/72/91/67/553729167.db2.gz QHSCRQZUQKBPLX-DNQXCXABSA-N 0 0 507.587 2.464 50 0 KEAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)N1CCN(C)CC1)N2C(=O)c1cccc(F)c1 ZINC000096210202 553729178 /nfs/dbraw/zinc/72/91/78/553729178.db2.gz DFDYJFWXAZJHEZ-DEOSSOPVSA-N 0 0 508.594 2.382 50 0 KEAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)N1CCN(C)CC1)N2C(=O)c1cccc(F)c1 ZINC000096210203 553729170 /nfs/dbraw/zinc/72/91/70/553729170.db2.gz DFDYJFWXAZJHEZ-XMMPIXPASA-N 0 0 508.594 2.382 50 0 KEAARN COc1cccc(C(=O)N2[C@H](C(=O)N3CCOCC3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000096210210 553729175 /nfs/dbraw/zinc/72/91/75/553729175.db2.gz HJYDLCZIPPHAMK-QHCPKHFHSA-N 0 0 511.550 2.167 50 0 KEAARN COc1cccc(C(=O)N2[C@@H](C(=O)N3CCOCC3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000096210211 553729155 /nfs/dbraw/zinc/72/91/55/553729155.db2.gz HJYDLCZIPPHAMK-HSZRJFAPSA-N 0 0 511.550 2.167 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)C1 ZINC000096210226 553729172 /nfs/dbraw/zinc/72/91/72/553729172.db2.gz NNIPPVHSBXRGNV-UNMCSNQZSA-N 0 0 515.607 2.067 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)C1 ZINC000096210227 553729159 /nfs/dbraw/zinc/72/91/59/553729159.db2.gz NNIPPVHSBXRGNV-RBBKRZOGSA-N 0 0 515.607 2.067 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)C1 ZINC000096210228 553729163 /nfs/dbraw/zinc/72/91/63/553729163.db2.gz NNIPPVHSBXRGNV-IRLDBZIGSA-N 0 0 515.607 2.067 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2COC3(CCN(C(=O)CC)CC3)N2C(=O)c2cccc(OC)c2)C1 ZINC000096210229 553729160 /nfs/dbraw/zinc/72/91/60/553729160.db2.gz NNIPPVHSBXRGNV-IFMALSPDSA-N 0 0 515.607 2.067 50 0 KEAARN COc1cccc(C(=O)N2[C@H](C(=O)N3CCN(C)CC3)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000096210232 553729156 /nfs/dbraw/zinc/72/91/56/553729156.db2.gz SXHIBJRLWNMBDW-VWLOTQADSA-N 0 0 520.630 2.251 50 0 KEAARN COc1cccc(C(=O)N2[C@@H](C(=O)N3CCN(C)CC3)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000096210233 553729186 /nfs/dbraw/zinc/72/91/86/553729186.db2.gz SXHIBJRLWNMBDW-RUZDIDTESA-N 0 0 520.630 2.251 50 0 KEAARN CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000096211107 553729661 /nfs/dbraw/zinc/72/96/61/553729661.db2.gz RLYBOTFNIVQHMY-QHCPKHFHSA-N 0 0 536.670 2.492 50 0 KEAARN CC(C)C(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000096211108 553729666 /nfs/dbraw/zinc/72/96/66/553729666.db2.gz RLYBOTFNIVQHMY-HSZRJFAPSA-N 0 0 536.670 2.492 50 0 KEAARN O=C(C1CC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000096211109 553729651 /nfs/dbraw/zinc/72/96/51/553729651.db2.gz MDFBVTJDDHVUKY-DEOSSOPVSA-N 0 0 516.664 2.107 50 0 KEAARN O=C(C1CC1)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1C[C@H]1CCCO1 ZINC000096211110 553729648 /nfs/dbraw/zinc/72/96/48/553729648.db2.gz MDFBVTJDDHVUKY-XMMPIXPASA-N 0 0 516.664 2.107 50 0 KEAARN CC(=O)N1CCN(c2nc(SCc3ccc(C(=O)NCCN4CCOCC4)cc3)nc(C)c2C)CC1 ZINC000096279914 553736529 /nfs/dbraw/zinc/73/65/29/553736529.db2.gz FEAUZQGGJDQTOP-UHFFFAOYSA-N 0 0 512.680 2.116 50 0 KEAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000096287550 553738911 /nfs/dbraw/zinc/73/89/11/553738911.db2.gz XNPMOSOHUKAXET-UHFFFAOYSA-N 0 0 527.645 2.075 50 0 KEAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1)C[C@@H]1CCCO1 ZINC000096294100 553747549 /nfs/dbraw/zinc/74/75/49/553747549.db2.gz HIBGJLSMTDEQIG-FQEVSTJZSA-N 0 0 525.649 2.415 50 0 KEAARN CCNC(=O)N(Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1)C[C@H]1CCCO1 ZINC000096294101 553747471 /nfs/dbraw/zinc/74/74/71/553747471.db2.gz HIBGJLSMTDEQIG-HXUWFJFHSA-N 0 0 525.649 2.415 50 0 KEAARN O=C(CCn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21)N1CCCCC1 ZINC000096324072 553751833 /nfs/dbraw/zinc/75/18/33/553751833.db2.gz AQCFZJSAWNADPU-UHFFFAOYSA-N 0 0 515.661 2.372 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000096358424 553752823 /nfs/dbraw/zinc/75/28/23/553752823.db2.gz XGESBKLITXEIOP-VWLOTQADSA-N 0 0 508.575 2.413 50 0 KEAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN([C@H]4CC(=O)N(c5ccc(OCC)cc5)C4=O)CC3)C2=O)cc1 ZINC000096561995 553755500 /nfs/dbraw/zinc/75/55/00/553755500.db2.gz NWBDTNBBHXXDKQ-PSWAGMNNSA-N 0 0 520.586 2.066 50 0 KEAARN CCOc1ccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CC(=O)N(c5ccc(OCC)cc5)C4=O)CC3)C2=O)cc1 ZINC000096561996 553755383 /nfs/dbraw/zinc/75/53/83/553755383.db2.gz NWBDTNBBHXXDKQ-DNQXCXABSA-N 0 0 520.586 2.066 50 0 KEAARN COc1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1O ZINC000096913803 553757873 /nfs/dbraw/zinc/75/78/73/553757873.db2.gz YVKZVUFVGGVZBU-CTFVLHKCSA-N 0 0 527.606 2.333 50 0 KEAARN COc1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1O ZINC000096913804 553757989 /nfs/dbraw/zinc/75/79/89/553757989.db2.gz YVKZVUFVGGVZBU-YDLLTVCASA-N 0 0 527.606 2.333 50 0 KEAARN COc1ccc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1O ZINC000096913805 553757884 /nfs/dbraw/zinc/75/78/84/553757884.db2.gz YVKZVUFVGGVZBU-OHNPLZAESA-N 0 0 527.606 2.333 50 0 KEAARN COc1ccc(/C=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1O ZINC000096913806 553757835 /nfs/dbraw/zinc/75/78/35/553757835.db2.gz YVKZVUFVGGVZBU-BYDXSSSESA-N 0 0 527.606 2.333 50 0 KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc(Cl)c3cccnc23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000097142184 553758666 /nfs/dbraw/zinc/75/86/66/553758666.db2.gz LMEVVBQLIJYORX-DODNOZFWSA-N 0 0 509.895 2.350 50 0 KEAARN COc1ccc(OC)c(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 ZINC000097655162 1066419248 /nfs/dbraw/zinc/41/92/48/1066419248.db2.gz QJEBEYZZOGXALD-POHAHGRESA-N 0 0 502.589 2.410 50 0 KEAARN COc1ccc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC ZINC000097655179 1066419309 /nfs/dbraw/zinc/41/93/09/1066419309.db2.gz SDWYYWMFQMIJCF-YFHOEESVSA-N 0 0 502.589 2.410 50 0 KEAARN COc1ccc(/C=C\C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c(OC)c1 ZINC000097655794 1066419294 /nfs/dbraw/zinc/41/92/94/1066419294.db2.gz LWGWBAWUZYVOQO-YFHOEESVSA-N 0 0 502.589 2.410 50 0 KEAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000097656522 1066419276 /nfs/dbraw/zinc/41/92/76/1066419276.db2.gz AYUGYWUCQMDRJP-YHAGJJCESA-N 0 0 523.567 2.170 50 0 KEAARN O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000097656523 1066419389 /nfs/dbraw/zinc/41/93/89/1066419389.db2.gz AYUGYWUCQMDRJP-XOYLTFLUSA-N 0 0 523.567 2.170 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccc2ccccc2n1 ZINC000097664178 1066419343 /nfs/dbraw/zinc/41/93/43/1066419343.db2.gz SSJJZBMJIOXYSI-FLIBITNWSA-N 0 0 511.556 2.459 50 0 KEAARN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000097664485 1066419224 /nfs/dbraw/zinc/41/92/24/1066419224.db2.gz NHRCLUTWPXACRW-PFONDFGASA-N 0 0 513.554 2.419 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097674624 553759196 /nfs/dbraw/zinc/75/91/96/553759196.db2.gz BPRBHHBMPFXFRQ-XSFVSMFZSA-N 0 0 519.576 2.313 50 0 KEAARN CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000097674634 553759157 /nfs/dbraw/zinc/75/91/57/553759157.db2.gz ZHDZUDWKWGRQNO-FUNKKEAFSA-N 0 0 500.602 2.011 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000097674635 553759129 /nfs/dbraw/zinc/75/91/29/553759129.db2.gz DTXUVWSXPILRPF-CLEQQJOVSA-N 0 0 504.565 2.227 50 0 KEAARN CCOc1ccc(C=CC(=O)N(C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC ZINC000097675864 1066207821 /nfs/dbraw/zinc/20/78/21/1066207821.db2.gz AWQFYWHUTQUNFC-BENRWUELSA-N 0 0 529.638 2.343 50 0 KEAARN COC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)cc(OC)c(C)c1C)NC(=O)OC(C)(C)C ZINC000097757394 553759464 /nfs/dbraw/zinc/75/94/64/553759464.db2.gz FWBMTXQZZUVCMF-INIZCTEOSA-N 0 0 500.618 2.270 50 0 KEAARN CCNc1nc(OCC(F)(F)F)nc(N2CCN(c3nc(NCC)nc(OCC(F)(F)F)n3)CC2)n1 ZINC000097940222 553763707 /nfs/dbraw/zinc/76/37/07/553763707.db2.gz HKGIATRDQWHISE-UHFFFAOYSA-N 0 0 526.446 2.129 50 0 KEAARN COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1I ZINC000097940409 553765123 /nfs/dbraw/zinc/76/51/23/553765123.db2.gz KCJWABIGWYKXPP-UHFFFAOYSA-N 0 0 574.466 2.363 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097944509 553770214 /nfs/dbraw/zinc/77/02/14/553770214.db2.gz QLLQLDHUMNJZDL-HVUZKSCUSA-N 0 0 569.636 2.254 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097944510 553770146 /nfs/dbraw/zinc/77/01/46/553770146.db2.gz QLLQLDHUMNJZDL-VNSJDZJPSA-N 0 0 569.636 2.254 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1C ZINC000097945912 553775498 /nfs/dbraw/zinc/77/54/98/553775498.db2.gz NMJDHZJFBZPBGD-UHFFFAOYSA-N 0 0 538.717 2.028 50 0 KEAARN Cc1c(C(N)=O)sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C(=O)OC(C)C ZINC000097947827 553788823 /nfs/dbraw/zinc/78/88/23/553788823.db2.gz AZEGILKGSYBDDM-UHFFFAOYSA-N 0 0 543.067 2.319 50 0 KEAARN COc1ccc(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000097947946 553789956 /nfs/dbraw/zinc/78/99/56/553789956.db2.gz XSCYDXHDJWAYIK-UHFFFAOYSA-N 0 0 546.609 2.488 50 0 KEAARN O=S(=O)(c1ccc(Br)s1)N1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000097948701 553796045 /nfs/dbraw/zinc/79/60/45/553796045.db2.gz FWCHSSUHZIPFAL-UHFFFAOYSA-N 0 0 595.588 2.235 50 0 KEAARN COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC)C1c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 ZINC000097951405 553808890 /nfs/dbraw/zinc/80/88/90/553808890.db2.gz OFXVBSJPGKPWSK-UHFFFAOYSA-N 0 0 534.587 2.208 50 0 KEAARN COc1cccc(CN2C(=O)N[C@@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)c1OC ZINC000097955236 553830124 /nfs/dbraw/zinc/83/01/24/553830124.db2.gz OBFDFOJTGLLVHW-JOCHJYFZSA-N 0 0 527.452 2.470 50 0 KEAARN COc1cccc(CN2C(=O)N[C@](NC(=O)c3ccc(OC)c(OC)c3OC)(C(F)(F)F)C2=O)c1OC ZINC000097955237 553830179 /nfs/dbraw/zinc/83/01/79/553830179.db2.gz OBFDFOJTGLLVHW-QFIPXVFZSA-N 0 0 527.452 2.470 50 0 KEAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)N1CCC(C(N)=O)CC1)occ3-c1ccccc1 ZINC000097956984 553843637 /nfs/dbraw/zinc/84/36/37/553843637.db2.gz HBAHCHKAYMKYIW-UHFFFAOYSA-N 0 0 558.591 2.013 50 0 KEAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)s1 ZINC000097957485 553846077 /nfs/dbraw/zinc/84/60/77/553846077.db2.gz LKNRBVIFUJTSNZ-UHFFFAOYSA-N 0 0 572.698 2.338 50 0 KEAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nnnn3-c3ccccc3)c2c(=O)[nH]c1=O ZINC000097957501 553846369 /nfs/dbraw/zinc/84/63/69/553846369.db2.gz KLBYVBZMGIODER-UHFFFAOYSA-N 0 0 565.063 2.171 50 0 KEAARN Cc1nnc(SCCn2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1 ZINC000097957514 553846437 /nfs/dbraw/zinc/84/64/37/553846437.db2.gz PYOHUEHTZXOONZ-UHFFFAOYSA-N 0 0 533.083 2.366 50 0 KEAARN COc1cc(-c2nc3s/c(=C\c4ccc(-c5ccc(S(N)(=O)=O)cc5)o4)c(=O)n3n2)cc(OC)c1OC ZINC000097959612 553864788 /nfs/dbraw/zinc/86/47/88/553864788.db2.gz YPPMMIQXTGBBIC-NDENLUEZSA-N 0 0 540.579 2.299 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000097961158 553875765 /nfs/dbraw/zinc/87/57/65/553875765.db2.gz VVNNVSKIGVSNON-UHFFFAOYSA-N 0 0 537.594 2.380 50 0 KEAARN O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c32)C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097961160 553875725 /nfs/dbraw/zinc/87/57/25/553875725.db2.gz LAVDDHUVFYPWJX-UHFFFAOYSA-N 0 0 579.631 2.150 50 0 KEAARN O=C(Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097961495 553878449 /nfs/dbraw/zinc/87/84/49/553878449.db2.gz NWZDMJWVEPZBLK-UHFFFAOYSA-N 0 0 614.702 2.233 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(C(C)=O)C4)cc2)CC1 ZINC000097963501 553891024 /nfs/dbraw/zinc/89/10/24/553891024.db2.gz HFAKBZKTDYPLNL-UHFFFAOYSA-N 0 0 578.669 2.154 50 0 KEAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C(C)=O)C2 ZINC000097963509 553891048 /nfs/dbraw/zinc/89/10/48/553891048.db2.gz XLEOFZQFUGMRCT-UHFFFAOYSA-N 0 0 567.686 2.365 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1 ZINC000097963530 553891413 /nfs/dbraw/zinc/89/14/13/553891413.db2.gz NNMDIXHUOGSWMB-UHFFFAOYSA-N 0 0 537.616 2.323 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C(=O)N2CCOCC2)C1 ZINC000097963567 553891784 /nfs/dbraw/zinc/89/17/84/553891784.db2.gz FJVZYPPCIWHYBW-UHFFFAOYSA-N 0 0 550.659 2.238 50 0 KEAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)N2CCOCC2)C1 ZINC000097963572 553891653 /nfs/dbraw/zinc/89/16/53/553891653.db2.gz GRTWQWRYNYSUNH-UHFFFAOYSA-N 0 0 592.696 2.008 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(OC)cc4OC)o3)cc2)CC1 ZINC000097963808 553894258 /nfs/dbraw/zinc/89/42/58/553894258.db2.gz BTCUNSRKZYAAEI-UHFFFAOYSA-N 0 0 545.574 2.469 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(OC)cc(OC)c4)o3)cc2)CC1 ZINC000097963809 553894271 /nfs/dbraw/zinc/89/42/71/553894271.db2.gz QVTASZFORBVBSL-UHFFFAOYSA-N 0 0 545.574 2.469 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)cc2)CC1 ZINC000097963818 553894522 /nfs/dbraw/zinc/89/45/22/553894522.db2.gz CJEDWWSFMLGCMO-UHFFFAOYSA-N 0 0 575.600 2.478 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000097963819 553894591 /nfs/dbraw/zinc/89/45/91/553894591.db2.gz WJZGNPQPASBNFB-UHFFFAOYSA-N 0 0 550.590 2.298 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1 ZINC000097968566 553933487 /nfs/dbraw/zinc/93/34/87/553933487.db2.gz QSHOVOSIKPNDHC-ONQWYEKWSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1 ZINC000097968567 553933539 /nfs/dbraw/zinc/93/35/39/553933539.db2.gz QSHOVOSIKPNDHC-VAZXNAHHSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3cccc(OC)c3)sc2=C(C(=O)OC(C)C)[C@@H]1c1cccc(OC)c1 ZINC000097968572 553933532 /nfs/dbraw/zinc/93/35/32/553933532.db2.gz YDSZDSBVFMOZDF-QJUACMODSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C\c3cccc(OC)c3)sc2=C(C(=O)OC(C)C)[C@H]1c1cccc(OC)c1 ZINC000097968573 553933523 /nfs/dbraw/zinc/93/35/23/553933523.db2.gz YDSZDSBVFMOZDF-AMUNLKFJSA-N 0 0 550.633 2.346 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)C1=O ZINC000097970765 553958229 /nfs/dbraw/zinc/95/82/29/553958229.db2.gz RPGAIMGPAHMXGE-PFWOMTEYSA-N 0 0 550.644 2.355 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)C1=O ZINC000097970766 553958218 /nfs/dbraw/zinc/95/82/18/553958218.db2.gz RPGAIMGPAHMXGE-PBBVHMLESA-N 0 0 550.644 2.355 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)C1=O ZINC000097970767 553958306 /nfs/dbraw/zinc/95/83/06/553958306.db2.gz RPGAIMGPAHMXGE-STRKAMBQSA-N 0 0 550.644 2.355 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)C1=O ZINC000097970768 553958288 /nfs/dbraw/zinc/95/82/88/553958288.db2.gz RPGAIMGPAHMXGE-QKHXSWLYSA-N 0 0 550.644 2.355 50 0 KEAARN COC(=O)C1(NC(=O)NC2(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000097972633 553967107 /nfs/dbraw/zinc/96/71/07/553967107.db2.gz GOTZPPVFQRKPQA-UHFFFAOYSA-N 0 0 542.630 2.171 50 0 KEAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000097976753 1066420072 /nfs/dbraw/zinc/42/00/72/1066420072.db2.gz HLMVPVWHVOKYPV-QHHAFSJGSA-N 0 0 584.445 2.095 50 0 KEAARN O=C(Cn1c(=O)sc2ccccc21)OCCOCCOCCOC(=O)Cn1c(=O)sc2ccccc21 ZINC000097976944 553973439 /nfs/dbraw/zinc/97/34/39/553973439.db2.gz VBZNEAVHUNOPFZ-UHFFFAOYSA-N 0 0 532.596 2.259 50 0 KEAARN COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000097979005 553975580 /nfs/dbraw/zinc/97/55/80/553975580.db2.gz CEPKSWOWFIJCBC-RIWGIVCCSA-N 0 0 531.587 2.258 50 0 KEAARN COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000097979006 553975566 /nfs/dbraw/zinc/97/55/66/553975566.db2.gz CEPKSWOWFIJCBC-OPGUWZMBSA-N 0 0 531.587 2.258 50 0 KEAARN Cn1c(=O)c(C(=O)COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000097979215 553977248 /nfs/dbraw/zinc/97/72/48/553977248.db2.gz QNNXIQNKKWYOHC-DTQAZKPQSA-N 0 0 580.663 2.182 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000097979401 553979027 /nfs/dbraw/zinc/97/90/27/553979027.db2.gz QHGLMWONORAEEX-UKTHLTGXSA-N 0 0 579.697 2.242 50 0 KEAARN Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc4c(c2)OCO4)CC3)c(=O)n(C)c1=O ZINC000097979718 553981648 /nfs/dbraw/zinc/98/16/48/553981648.db2.gz BOCAVRAZOZAJIT-LFIBNONCSA-N 0 0 540.532 2.470 50 0 KEAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000097980060 553984883 /nfs/dbraw/zinc/98/48/83/553984883.db2.gz KAVVSXJHQHHAQT-FPYGCLRLSA-N 0 0 581.594 2.341 50 0 KEAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1 ZINC000097980063 553984886 /nfs/dbraw/zinc/98/48/86/553984886.db2.gz OTLGCYVZGVSCFT-XNTDXEJSSA-N 0 0 547.630 2.393 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000097980206 553986594 /nfs/dbraw/zinc/98/65/94/553986594.db2.gz YHUIJGSJSMLZBK-HKWRFOASSA-N 0 0 558.638 2.122 50 0 KEAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3nn(C)c(=O)c4ccccc43)C2=O)cc(OC)c1OC ZINC000097980219 553986532 /nfs/dbraw/zinc/98/65/32/553986532.db2.gz SOEVNADQBVYXGL-CPNJWEJPSA-N 0 0 524.555 2.426 50 0 KEAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc(OC)c1OC ZINC000097980222 553986601 /nfs/dbraw/zinc/98/66/01/553986601.db2.gz WJNKRJYXJAPIEK-PXLXIMEGSA-N 0 0 591.664 2.200 50 0 KEAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc(OC)c1OC ZINC000097980231 553986541 /nfs/dbraw/zinc/98/65/41/553986541.db2.gz ZGVPJYICVIPGBQ-XSFVSMFZSA-N 0 0 549.627 2.429 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000097980344 1066214936 /nfs/dbraw/zinc/21/49/36/1066214936.db2.gz AOIGNFSJXFFQEM-HMAPJEAMSA-N 0 0 568.633 2.015 50 0 KEAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2=O)cc(OC)c1OC ZINC000097981157 1066419930 /nfs/dbraw/zinc/41/99/30/1066419930.db2.gz LQZWTPQNSPBURY-LCJWNIEWSA-N 0 0 528.587 2.145 50 0 KEAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)[C@H](Cc3ccccc3)NC(N)=O)C2=O)cc(OC)c1OC ZINC000097981158 1066420051 /nfs/dbraw/zinc/42/00/51/1066420051.db2.gz LQZWTPQNSPBURY-PNWWAVQQSA-N 0 0 528.587 2.145 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@@H](C)NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000097981343 553993302 /nfs/dbraw/zinc/99/33/02/553993302.db2.gz QPEIGWCLQRKSRF-QGZVFWFLSA-N 0 0 586.831 2.466 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NC[C@H](C)NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000097981344 553993253 /nfs/dbraw/zinc/99/32/53/553993253.db2.gz QPEIGWCLQRKSRF-KRWDZBQOSA-N 0 0 586.831 2.466 50 0 KEAARN O=S(=O)(/C=C/c1ccccc1)N1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000097981372 553993552 /nfs/dbraw/zinc/99/35/52/553993552.db2.gz GBVOAXRZHIIGGO-VXLYETTFSA-N 0 0 536.701 2.023 50 0 KEAARN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000097981485 553994391 /nfs/dbraw/zinc/99/43/91/553994391.db2.gz LWICURFPYIIYOK-UHFFFAOYSA-N 0 0 536.676 2.155 50 0 KEAARN COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CC[C@@H](C)C2 ZINC000097981505 553994838 /nfs/dbraw/zinc/99/48/38/553994838.db2.gz NLJCVUNCGAVJEI-MRXNPFEDSA-N 0 0 549.671 2.376 50 0 KEAARN COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CC[C@H](C)C2 ZINC000097981506 553994873 /nfs/dbraw/zinc/99/48/73/553994873.db2.gz NLJCVUNCGAVJEI-INIZCTEOSA-N 0 0 549.671 2.376 50 0 KEAARN Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000097981510 553994773 /nfs/dbraw/zinc/99/47/73/553994773.db2.gz PCOGBFGTJLMGKY-UHFFFAOYSA-N 0 0 537.564 2.448 50 0 KEAARN O=C(CCCN1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000097981513 553994802 /nfs/dbraw/zinc/99/48/02/553994802.db2.gz GBPNZTAXIVFTHB-UHFFFAOYSA-N 0 0 573.112 2.099 50 0 KEAARN CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000097981522 553994860 /nfs/dbraw/zinc/99/48/60/553994860.db2.gz YXGYBNNXKHVATJ-UHFFFAOYSA-N 0 0 540.278 2.142 50 0 KEAARN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3sc4c(c3C(=O)OC)CCC4)CC2)cc1 ZINC000097981528 553994888 /nfs/dbraw/zinc/99/48/88/553994888.db2.gz MMQAGBBZJXOLNI-UHFFFAOYSA-N 0 0 535.644 2.145 50 0 KEAARN CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000097981532 553995157 /nfs/dbraw/zinc/99/51/57/553995157.db2.gz PGZJTGIXIVYUGS-UHFFFAOYSA-N 0 0 579.679 2.449 50 0 KEAARN Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3Br)CC2)c(=O)n(-c2ccccc2)n1C ZINC000097981597 553995706 /nfs/dbraw/zinc/99/57/06/553995706.db2.gz AQVBWIQBTTUHAI-UHFFFAOYSA-N 0 0 548.463 2.192 50 0 KEAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000097982372 554001612 /nfs/dbraw/zinc/00/16/12/554001612.db2.gz LRUZLXGTEAPFNY-DHZHZOJOSA-N 0 0 590.705 2.305 50 0 KEAARN COCCN(C(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982430 554002177 /nfs/dbraw/zinc/00/21/77/554002177.db2.gz BXAKWEPOYRRMIC-UHFFFAOYSA-N 0 0 535.384 2.239 50 0 KEAARN CCN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982452 554002530 /nfs/dbraw/zinc/00/25/30/554002530.db2.gz OBFKNTQRNKPFMC-UHFFFAOYSA-N 0 0 570.027 2.361 50 0 KEAARN CC(C)CN(C(=O)CSc1nnc(-c2ccccc2F)n1N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982459 554002557 /nfs/dbraw/zinc/00/25/57/554002557.db2.gz NYLZEXVTCAHLRL-UHFFFAOYSA-N 0 0 538.609 2.060 50 0 KEAARN CCN(C(=O)COC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982490 554002781 /nfs/dbraw/zinc/00/27/81/554002781.db2.gz NVWHWINSKGGORP-UHFFFAOYSA-N 0 0 544.490 2.132 50 0 KEAARN COCCN(C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982502 554003078 /nfs/dbraw/zinc/00/30/78/554003078.db2.gz RGHWHNVRSUAINA-UHFFFAOYSA-N 0 0 595.616 2.251 50 0 KEAARN COCCN(C(=O)COC(=O)CCC(=O)c1cc(C)sc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097982514 554003114 /nfs/dbraw/zinc/00/31/14/554003114.db2.gz YHHWDJRSSIUFCK-UHFFFAOYSA-N 0 0 542.614 2.031 50 0 KEAARN O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000097982584 554003649 /nfs/dbraw/zinc/00/36/49/554003649.db2.gz DGAPFQIARZGRAW-UHFFFAOYSA-N 0 0 568.662 2.399 50 0 KEAARN Cc1ccc(-n2ncc(C(N)=O)c2NC(=S)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 ZINC000097982660 554004277 /nfs/dbraw/zinc/00/42/77/554004277.db2.gz PABQPGZLHVJLOZ-UHFFFAOYSA-N 0 0 577.088 2.389 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)c3cnn(-c4ccccc4)c3nc2C(F)(F)F)c1 ZINC000097982661 554004272 /nfs/dbraw/zinc/00/42/72/554004272.db2.gz KTTPUANZPOBMNT-UHFFFAOYSA-N 0 0 520.493 2.490 50 0 KEAARN O=C(OC[C@H]1[C@@H](COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(Cl)Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097983160 554007727 /nfs/dbraw/zinc/00/77/27/554007727.db2.gz BKMZEHIFLMRIJH-PSWAGMNNSA-N 0 0 677.581 2.162 50 0 KEAARN O=C(OC[C@H]1[C@H](COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(Cl)Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097983161 554007862 /nfs/dbraw/zinc/00/78/62/554007862.db2.gz BKMZEHIFLMRIJH-ZEQRLZLVSA-N 0 0 677.581 2.162 50 0 KEAARN O=C(OC[C@@H]1[C@@H](COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1(Cl)Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097983162 554007918 /nfs/dbraw/zinc/00/79/18/554007918.db2.gz BKMZEHIFLMRIJH-DNQXCXABSA-N 0 0 677.581 2.162 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000097983228 554007944 /nfs/dbraw/zinc/00/79/44/554007944.db2.gz LBSRZJUTWXANAX-KYHHALJESA-N 0 0 557.980 2.007 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000097983230 554008257 /nfs/dbraw/zinc/00/82/57/554008257.db2.gz LBSRZJUTWXANAX-PFDHNPLJSA-N 0 0 557.980 2.007 50 0 KEAARN O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000097983725 554011282 /nfs/dbraw/zinc/01/12/82/554011282.db2.gz DLOKUBDQBOYEQX-UHFFFAOYSA-N 0 0 580.638 2.054 50 0 KEAARN Cn1cc(P(=O)(N2CCOCC2)N2CCOCC2)cc1P(=Nc1ccccc1)(N1CCOCC1)N1CCOCC1 ZINC000097984862 554018804 /nfs/dbraw/zinc/01/88/04/554018804.db2.gz FMBIQQUQDFRYAK-UHFFFAOYSA-N 0 0 592.618 2.161 50 0 KEAARN Cn1cc(P(=Nc2ccccc2)(N2CCOCC2)N2CCOCC2)cc1P(=O)(N1CCOCC1)N1CCOCC1 ZINC000097984864 554018886 /nfs/dbraw/zinc/01/88/86/554018886.db2.gz CJJWWXNAFDELDM-UHFFFAOYSA-N 0 0 592.618 2.161 50 0 KEAARN O=C(CSc1nnc(CCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)N1CCN(CCO)CC1 ZINC000097985322 554022800 /nfs/dbraw/zinc/02/28/00/554022800.db2.gz ZYYWANARIVLQMJ-UHFFFAOYSA-N 0 0 570.675 2.488 50 0 KEAARN CCOc1ccc(C=C2SC(=O)N(CCNC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1OC ZINC000097985946 554023451 /nfs/dbraw/zinc/02/34/51/554023451.db2.gz XCDMGNCYMCJUNX-QGOAFFKASA-N 0 0 516.576 2.111 50 0 KEAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097986296 1066419993 /nfs/dbraw/zinc/41/99/93/1066419993.db2.gz HBGFWDCRNQGFFB-XGICHPGQSA-N 0 0 505.618 2.144 50 0 KEAARN NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)CC1 ZINC000097986368 554023322 /nfs/dbraw/zinc/02/33/22/554023322.db2.gz WBLAEDWZTWAVOC-UHFFFAOYSA-N 0 0 549.653 2.408 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000097986818 554025784 /nfs/dbraw/zinc/02/57/84/554025784.db2.gz JSGMDITVQLFGOK-UHFFFAOYSA-N 0 0 594.646 2.416 50 0 KEAARN O=C(CSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1)NCCc1ccccc1 ZINC000097987866 554027901 /nfs/dbraw/zinc/02/79/01/554027901.db2.gz XJHFLPVHMNRMIY-UHFFFAOYSA-N 0 0 547.684 2.262 50 0 KEAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)NC(=O)OCc2ccccc2)CCOCCOCC1 ZINC000097990142 554028423 /nfs/dbraw/zinc/02/84/23/554028423.db2.gz OOCCZEZZWORAQC-HNRBIFIRSA-N 0 0 672.776 2.353 50 0 KEAARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCN(C(=O)[C@@H](C)NC(=O)OCc2ccccc2)CCOCCOCC1 ZINC000097990143 554028534 /nfs/dbraw/zinc/02/85/34/554028534.db2.gz OOCCZEZZWORAQC-VSGBNLITSA-N 0 0 672.776 2.353 50 0 KEAARN C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCCOCCN(C(=O)[C@H](C)NC(=O)OCc2ccccc2)CCOCCOCC1 ZINC000097990144 554028477 /nfs/dbraw/zinc/02/84/77/554028477.db2.gz OOCCZEZZWORAQC-NSOVKSMOSA-N 0 0 672.776 2.353 50 0 KEAARN COc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)CC1=O ZINC000097990161 554028529 /nfs/dbraw/zinc/02/85/29/554028529.db2.gz MXNNHBIVVUIIIV-CQSZACIVSA-N 0 0 526.600 2.368 50 0 KEAARN COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)s2)CC1=O ZINC000097990162 554028409 /nfs/dbraw/zinc/02/84/09/554028409.db2.gz MXNNHBIVVUIIIV-AWEZNQCLSA-N 0 0 526.600 2.368 50 0 KEAARN CCC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)s1 ZINC000097990829 554029114 /nfs/dbraw/zinc/02/91/14/554029114.db2.gz BCAYHVKFDIKBKL-UHFFFAOYSA-N 0 0 566.639 2.372 50 0 KEAARN O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)co2)s1)C1CC1 ZINC000097990841 554029373 /nfs/dbraw/zinc/02/93/73/554029373.db2.gz VNGFFZHQJWQEQM-UHFFFAOYSA-N 0 0 578.650 2.372 50 0 KEAARN Cc1cn2c(ncc(C(=O)NC[C@@H]3CCC[C@H](CNC(=O)c4cnc5sc(C)cn5c4=O)C3)c2=O)s1 ZINC000097990905 554030124 /nfs/dbraw/zinc/03/01/24/554030124.db2.gz RSXIVQZMSHCQJV-IYBDPMFKSA-N 0 0 526.644 2.408 50 0 KEAARN Cc1cn2c(ncc(C(=O)NC[C@H]3CCC[C@H](CNC(=O)c4cnc5sc(C)cn5c4=O)C3)c2=O)s1 ZINC000097990906 554030152 /nfs/dbraw/zinc/03/01/52/554030152.db2.gz RSXIVQZMSHCQJV-HOTGVXAUSA-N 0 0 526.644 2.408 50 0 KEAARN Cc1cn2c(ncc(C(=O)NC[C@@H]3CCC[C@@H](CNC(=O)c4cnc5sc(C)cn5c4=O)C3)c2=O)s1 ZINC000097990907 554030017 /nfs/dbraw/zinc/03/00/17/554030017.db2.gz RSXIVQZMSHCQJV-HZPDHXFCSA-N 0 0 526.644 2.408 50 0 KEAARN CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2c1CCN(C)C2 ZINC000097993348 554031204 /nfs/dbraw/zinc/03/12/04/554031204.db2.gz KMRLJUZITDLVTB-UHFFFAOYSA-N 0 0 539.676 2.449 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994034 554031488 /nfs/dbraw/zinc/03/14/88/554031488.db2.gz CWYBGYJFRNQMSG-QXMHVHEDSA-N 0 0 512.950 2.057 50 0 KEAARN COc1cc(C=CC(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)ccc1O ZINC000097994037 1066420651 /nfs/dbraw/zinc/42/06/51/1066420651.db2.gz PMENVUPYEUQJGQ-BENRWUELSA-N 0 0 522.558 2.127 50 0 KEAARN CC(C)CN(C(=O)COC(=O)C=Cc1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994041 1066420658 /nfs/dbraw/zinc/42/06/58/1066420658.db2.gz ZIYMRYRNWRNBSV-LUAWRHEFSA-N 0 0 520.542 2.141 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1ccc(SC)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994043 554031472 /nfs/dbraw/zinc/03/14/72/554031472.db2.gz TXSSLWSWNCVPEQ-RAXLEYEMSA-N 0 0 524.599 2.125 50 0 KEAARN CCN(C(=O)COC(=O)C=Cc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994109 1066420661 /nfs/dbraw/zinc/42/06/61/1066420661.db2.gz YAZJFDGLVZCKJH-SEYXRHQNSA-N 0 0 505.556 2.386 50 0 KEAARN CN(C(=O)COC(=O)C=Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097994149 1066420647 /nfs/dbraw/zinc/42/06/47/1066420647.db2.gz HNSGXBOQGLDEEF-XFXZXTDPSA-N 0 0 502.449 2.405 50 0 KEAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 ZINC000097994529 554032386 /nfs/dbraw/zinc/03/23/86/554032386.db2.gz XCCWCCWWXHIAHH-UHFFFAOYSA-N 0 0 532.630 2.348 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCN3CCOCC3)C2=S)cc1 ZINC000097995509 554035569 /nfs/dbraw/zinc/03/55/69/554035569.db2.gz DRXHRHJBGCWFFR-QHCPKHFHSA-N 0 0 568.652 2.313 50 0 KEAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCN3CCOCC3)C2=S)cc1 ZINC000097995510 554035482 /nfs/dbraw/zinc/03/54/82/554035482.db2.gz DRXHRHJBGCWFFR-HSZRJFAPSA-N 0 0 568.652 2.313 50 0 KEAARN COc1cc(OC)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)c1 ZINC000097996392 554038744 /nfs/dbraw/zinc/03/87/44/554038744.db2.gz FYBGGRWQWAGYNZ-DNTJNYDQSA-N 0 0 513.528 2.015 50 0 KEAARN CCn1c(N)c(C(=O)COC(=O)C=Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c(=O)[nH]c1=O ZINC000097997958 1066420654 /nfs/dbraw/zinc/42/06/54/1066420654.db2.gz OITVWKOAMZULOE-HJWRWDBZSA-N 0 0 506.346 2.438 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097998467 554041408 /nfs/dbraw/zinc/04/14/08/554041408.db2.gz VOHYSFSHGWMINE-JGTYQCAFSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097998468 554041323 /nfs/dbraw/zinc/04/13/23/554041323.db2.gz VOHYSFSHGWMINE-LYRGBEMXSA-N 0 0 536.562 2.267 50 0 KEAARN COc1ccccc1NC(=O)COC(=O)CN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3OC)cc2C1=O ZINC000097998489 554041783 /nfs/dbraw/zinc/04/17/83/554041783.db2.gz DYWRSYAMYKXBRV-UHFFFAOYSA-N 0 0 575.530 2.277 50 0 KEAARN CCOc1ccc(CCNC(=O)c2nnn(CC(=O)NCCc3ccc(OC)c(OC)c3)c2N)cc1OCC ZINC000097999299 554041753 /nfs/dbraw/zinc/04/17/53/554041753.db2.gz USKOTZSYTFUUKP-UHFFFAOYSA-N 0 0 540.621 2.006 50 0 KEAARN Cn1c2nc(SCSc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000098005841 554059215 /nfs/dbraw/zinc/05/92/15/554059215.db2.gz IQWVVCNKQXHWKS-UHFFFAOYSA-N 0 0 616.729 2.119 50 0 KEAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 ZINC000098006326 554061539 /nfs/dbraw/zinc/06/15/39/554061539.db2.gz AKXPHPMFWSADMA-HNRBIFIRSA-N 0 0 542.640 2.115 50 0 KEAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 ZINC000098006327 554061432 /nfs/dbraw/zinc/06/14/32/554061432.db2.gz AKXPHPMFWSADMA-VSGBNLITSA-N 0 0 542.640 2.115 50 0 KEAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 ZINC000098006328 554061461 /nfs/dbraw/zinc/06/14/61/554061461.db2.gz AKXPHPMFWSADMA-NSOVKSMOSA-N 0 0 542.640 2.115 50 0 KEAARN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F ZINC000098007017 554062360 /nfs/dbraw/zinc/06/23/60/554062360.db2.gz GZTFEZXRWFPLQF-HXUWFJFHSA-N 0 0 553.616 2.004 50 0 KEAARN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F ZINC000098007018 554062497 /nfs/dbraw/zinc/06/24/97/554062497.db2.gz GZTFEZXRWFPLQF-FQEVSTJZSA-N 0 0 553.616 2.004 50 0 KEAARN Cn1c2nc(SCc3nc(N)nc(N4CCCCC4)n3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000098007082 554062888 /nfs/dbraw/zinc/06/28/88/554062888.db2.gz QILIHMFDACKNSF-UHFFFAOYSA-N 0 0 528.042 2.185 50 0 KEAARN COc1cc(S(=O)(=O)NCCOc2ccccc2)c(S(=O)(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000098007091 554062941 /nfs/dbraw/zinc/06/29/41/554062941.db2.gz LEJJJLFBMOHMFT-UHFFFAOYSA-N 0 0 566.654 2.427 50 0 KEAARN CCOC(=O)c1ccc(CNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)o1 ZINC000098007374 554063860 /nfs/dbraw/zinc/06/38/60/554063860.db2.gz GPHZSDGBLLAPBH-UHFFFAOYSA-N 0 0 546.005 2.314 50 0 KEAARN COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@H]2CS(=O)(=O)C[C@@H]2S4)c1 ZINC000098007423 554064177 /nfs/dbraw/zinc/06/41/77/554064177.db2.gz HTAQZBISPUILAT-PXNSSMCTSA-N 0 0 556.622 2.460 50 0 KEAARN COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@H]2CS(=O)(=O)C[C@H]2S4)c1 ZINC000098007424 554064126 /nfs/dbraw/zinc/06/41/26/554064126.db2.gz HTAQZBISPUILAT-FXAWDEMLSA-N 0 0 556.622 2.460 50 0 KEAARN COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@@H]2CS(=O)(=O)C[C@@H]2S4)c1 ZINC000098007425 554064238 /nfs/dbraw/zinc/06/42/38/554064238.db2.gz HTAQZBISPUILAT-XLIONFOSSA-N 0 0 556.622 2.460 50 0 KEAARN COc1cccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c3nc4n(c(=O)c32)[C@@H]2CS(=O)(=O)C[C@H]2S4)c1 ZINC000098007426 554064130 /nfs/dbraw/zinc/06/41/30/554064130.db2.gz HTAQZBISPUILAT-YLJYHZDGSA-N 0 0 556.622 2.460 50 0 KEAARN Cn1c(SCCn2c3ccccc3nc2S(=O)(=O)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000098007837 554064405 /nfs/dbraw/zinc/06/44/05/554064405.db2.gz CCVCRWAMLLLNCI-UHFFFAOYSA-N 0 0 524.628 2.087 50 0 KEAARN CCS(=O)(=O)N(CC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)c1ccc(OC)cc1 ZINC000098008219 554066991 /nfs/dbraw/zinc/06/69/91/554066991.db2.gz BGGIGNKZKNRGPJ-UHFFFAOYSA-N 0 0 546.049 2.399 50 0 KEAARN Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCCN(S(=O)(=O)c5cc6c7c(c5)c(C)cc(=O)n7CC6)CC4)cc31)CC2 ZINC000098009023 554068725 /nfs/dbraw/zinc/06/87/25/554068725.db2.gz PXNYSIGOZZLWPV-UHFFFAOYSA-N 0 0 594.715 2.131 50 0 KEAARN COc1cc(F)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)c(OC)cc3F)CC2)cc1OC ZINC000098009029 554068780 /nfs/dbraw/zinc/06/87/80/554068780.db2.gz TWDQAGMHXUCVIE-UHFFFAOYSA-N 0 0 536.575 2.085 50 0 KEAARN CCN(C(=O)N(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000098009034 554068698 /nfs/dbraw/zinc/06/86/98/554068698.db2.gz MCUMRFZBMYDUAO-UHFFFAOYSA-N 0 0 566.702 2.201 50 0 KEAARN CN1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccc(F)cc4F)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000098014663 554091794 /nfs/dbraw/zinc/09/17/94/554091794.db2.gz ZDBVSXFKHDASLF-QHCPKHFHSA-N 0 0 530.547 2.351 50 0 KEAARN CN1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccc(F)cc4F)CC3)N2C(=O)c2ccc(F)cc2)CC1 ZINC000098014664 554091798 /nfs/dbraw/zinc/09/17/98/554091798.db2.gz ZDBVSXFKHDASLF-HSZRJFAPSA-N 0 0 530.547 2.351 50 0 KEAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014695 554092077 /nfs/dbraw/zinc/09/20/77/554092077.db2.gz UBVOOLGWSXNGGY-DQEYMECFSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014696 554092131 /nfs/dbraw/zinc/09/21/31/554092131.db2.gz UBVOOLGWSXNGGY-LOSJGSFVSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014697 554092098 /nfs/dbraw/zinc/09/20/98/554092098.db2.gz UBVOOLGWSXNGGY-RPBOFIJWSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014698 554092125 /nfs/dbraw/zinc/09/21/25/554092125.db2.gz UBVOOLGWSXNGGY-JWQCQUIFSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2)cc1OC ZINC000098014787 554092746 /nfs/dbraw/zinc/09/27/46/554092746.db2.gz DNWATLDOEKUNHS-GOTSBHOMSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@@H]2CCCO2)N3C(=O)c2ccccc2)cc1OC ZINC000098014788 554092725 /nfs/dbraw/zinc/09/27/25/554092725.db2.gz DNWATLDOEKUNHS-XZOQPEGZSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2)cc1OC ZINC000098014789 554092735 /nfs/dbraw/zinc/09/27/35/554092735.db2.gz DNWATLDOEKUNHS-PKTZIBPZSA-N 0 0 537.613 2.473 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC[C@H]2CCCO2)N3C(=O)c2ccccc2)cc1OC ZINC000098014790 554092750 /nfs/dbraw/zinc/09/27/50/554092750.db2.gz DNWATLDOEKUNHS-DHIUTWEWSA-N 0 0 537.613 2.473 50 0 KEAARN CCS(=O)(=O)N(CC(=O)N1CCN(c2c(Cl)cnn(-c3ccccc3)c2=O)CC1)c1ccc(OC)cc1 ZINC000098042771 554122034 /nfs/dbraw/zinc/12/20/34/554122034.db2.gz WEGLVKGQHQBYGG-UHFFFAOYSA-N 0 0 546.049 2.399 50 0 KEAARN COc1ccc(OC)c(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1 ZINC000098042809 554122319 /nfs/dbraw/zinc/12/23/19/554122319.db2.gz OANVVPCKIIEITP-UHFFFAOYSA-N 0 0 576.635 2.496 50 0 KEAARN O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000098042987 554123555 /nfs/dbraw/zinc/12/35/55/554123555.db2.gz PDCPMZFFFHODQN-UHFFFAOYSA-N 0 0 527.580 2.488 50 0 KEAARN O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)n1 ZINC000098043288 554126401 /nfs/dbraw/zinc/12/64/01/554126401.db2.gz LIBICHPIYZLEQJ-UHFFFAOYSA-N 0 0 545.614 2.495 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000098045781 554133855 /nfs/dbraw/zinc/13/38/55/554133855.db2.gz WXTVBKVASUCGBD-RUZDIDTESA-N 0 0 558.657 2.019 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000098045782 554133863 /nfs/dbraw/zinc/13/38/63/554133863.db2.gz WXTVBKVASUCGBD-VWLOTQADSA-N 0 0 558.657 2.019 50 0 KEAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccc(Br)c2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000098046979 554145716 /nfs/dbraw/zinc/14/57/16/554145716.db2.gz JVZGIRRJGLQDFW-CYBMUJFWSA-N 0 0 522.830 2.126 50 0 KEAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000098046980 554145727 /nfs/dbraw/zinc/14/57/27/554145727.db2.gz JVZGIRRJGLQDFW-ZDUSSCGKSA-N 0 0 522.830 2.126 50 0 KEAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)NC[C@@H]1CCCO1 ZINC000098048235 554160745 /nfs/dbraw/zinc/16/07/45/554160745.db2.gz UPLYVBPYGMXETR-SFHVURJKSA-N 0 0 572.717 2.285 50 0 KEAARN O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1)NC[C@H]1CCCO1 ZINC000098048236 554160770 /nfs/dbraw/zinc/16/07/70/554160770.db2.gz UPLYVBPYGMXETR-GOSISDBHSA-N 0 0 572.717 2.285 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)NC2CCCCC2)cc1 ZINC000098049271 554164691 /nfs/dbraw/zinc/16/46/91/554164691.db2.gz PCTNDRHOGOAOTE-UHFFFAOYSA-N 0 0 571.725 2.334 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1 ZINC000098049281 554164694 /nfs/dbraw/zinc/16/46/94/554164694.db2.gz VQKLGBLLJIFGLW-UHFFFAOYSA-N 0 0 583.692 2.185 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)NCCc2ccccc2)cc1 ZINC000098049307 554164872 /nfs/dbraw/zinc/16/48/72/554164872.db2.gz JMODCFQAGNZTTD-UHFFFAOYSA-N 0 0 593.731 2.244 50 0 KEAARN COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000098049316 554164889 /nfs/dbraw/zinc/16/48/89/554164889.db2.gz NRXJAJDQDHJYJY-UHFFFAOYSA-N 0 0 542.658 2.408 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCN2CCOCC2)cc1 ZINC000098049342 554165220 /nfs/dbraw/zinc/16/52/20/554165220.db2.gz WNPKGVHZSUWUEH-UHFFFAOYSA-N 0 0 554.625 2.423 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@@H]1CCCO1)Nc1nccs1 ZINC000098049408 554165651 /nfs/dbraw/zinc/16/56/51/554165651.db2.gz YFJYTQUGTPOIDN-IBGZPJMESA-N 0 0 572.713 2.215 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@H]1CCCO1)Nc1nccs1 ZINC000098049409 554165619 /nfs/dbraw/zinc/16/56/19/554165619.db2.gz YFJYTQUGTPOIDN-LJQANCHMSA-N 0 0 572.713 2.215 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@@H]1CCCO1)NCCc1ccccc1 ZINC000098049460 554166369 /nfs/dbraw/zinc/16/63/69/554166369.db2.gz DQTVRMZMWFRYAL-VWLOTQADSA-N 0 0 593.750 2.479 50 0 KEAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@H]1CCCO1)NCCc1ccccc1 ZINC000098049461 554166348 /nfs/dbraw/zinc/16/63/48/554166348.db2.gz DQTVRMZMWFRYAL-RUZDIDTESA-N 0 0 593.750 2.479 50 0 KEAARN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000098049794 554169042 /nfs/dbraw/zinc/16/90/42/554169042.db2.gz YRRHAYCIQCMJGC-UHFFFAOYSA-N 0 0 537.642 2.466 50 0 KEAARN Cc1sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000098050168 554172606 /nfs/dbraw/zinc/17/26/06/554172606.db2.gz NODXENFYMFCUKG-SOLBZPMBSA-N 0 0 546.671 2.389 50 0 KEAARN Cc1sc2ncn(CC(=O)NC[C@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000098050169 554172599 /nfs/dbraw/zinc/17/25/99/554172599.db2.gz NODXENFYMFCUKG-JZXOWHBKSA-N 0 0 546.671 2.389 50 0 KEAARN Cc1sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000098050170 554172626 /nfs/dbraw/zinc/17/26/26/554172626.db2.gz NODXENFYMFCUKG-XYJFISCASA-N 0 0 546.671 2.389 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000098050179 554172868 /nfs/dbraw/zinc/17/28/68/554172868.db2.gz SZGLNWRQQXLKRF-IBGZPJMESA-N 0 0 525.612 2.159 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3nsnc32)CC1 ZINC000098050180 554172916 /nfs/dbraw/zinc/17/29/16/554172916.db2.gz SZGLNWRQQXLKRF-LJQANCHMSA-N 0 0 525.612 2.159 50 0 KEAARN Cc1c(NC(=O)CN2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)c(=O)n(-c2ccccc2)n1C ZINC000098050545 554175256 /nfs/dbraw/zinc/17/52/56/554175256.db2.gz UYWCWAGXTHXDFS-UHFFFAOYSA-N 0 0 547.685 2.418 50 0 KEAARN O=C(c1ccccc1)N1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000098050594 554175485 /nfs/dbraw/zinc/17/54/85/554175485.db2.gz RBYBEOWVHIHZLA-LOYHVIPDSA-N 0 0 602.732 2.082 50 0 KEAARN O=C(c1ccccc1)N1CCN(C[C@H](O)COc2ccc(OC[C@@H](O)CN3CCN(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000098050595 554175475 /nfs/dbraw/zinc/17/54/75/554175475.db2.gz RBYBEOWVHIHZLA-KYJUHHDHSA-N 0 0 602.732 2.082 50 0 KEAARN CO[C@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@@H]21 ZINC000100011563 554181059 /nfs/dbraw/zinc/18/10/59/554181059.db2.gz QGXKMJVEULWQSB-ISKFKSNPSA-N 0 0 524.628 2.106 50 0 KEAARN O=C(OC[C@H]1O[C@@H](n2ncc(=O)[n-]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000100017233 554181637 /nfs/dbraw/zinc/18/16/37/554181637.db2.gz SRPSJMLVXZRXTM-WJNCPCKPSA-N 0 0 557.515 2.137 50 0 biogenic KEAARN COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(C)=O ZINC000100036672 554191220 /nfs/dbraw/zinc/19/12/20/554191220.db2.gz DMLKUPXKUQREOC-WFMHDFSVSA-N 0 0 575.412 2.186 50 0 KEAARN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000100056558 554196510 /nfs/dbraw/zinc/19/65/10/554196510.db2.gz PCFSNQYXXACUHM-YULOIDQLSA-N 0 0 546.576 2.182 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100072503 554202018 /nfs/dbraw/zinc/20/20/18/554202018.db2.gz NWOGROLFEFUITG-UZINISAASA-N 0 0 576.526 2.419 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100072511 554202386 /nfs/dbraw/zinc/20/23/86/554202386.db2.gz NNWAGEQDNUVUNB-UZINISAASA-N 0 0 558.536 2.280 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100072519 554202428 /nfs/dbraw/zinc/20/24/28/554202428.db2.gz FHAFYTMDIMBRQD-UZINISAASA-N 0 0 592.525 2.255 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100072542 554202480 /nfs/dbraw/zinc/20/24/80/554202480.db2.gz OPQDOPWWBGEPER-LIIQBVBMSA-N 0 0 630.599 2.441 50 0 biogenic KEAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)CCCC2 ZINC000100084819 554208472 /nfs/dbraw/zinc/20/84/72/554208472.db2.gz VBXTZRIJUOTCTN-DUXKGJEZSA-N 0 0 541.575 2.100 50 0 KEAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)CCCC2 ZINC000100084826 554208380 /nfs/dbraw/zinc/20/83/80/554208380.db2.gz VBXTZRIJUOTCTN-JRGCBEDISA-N 0 0 541.575 2.100 50 0 KEAARN CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OCC ZINC000100121970 554224399 /nfs/dbraw/zinc/22/43/99/554224399.db2.gz SKUAZLXFAHAXET-HSZRJFAPSA-N 0 0 536.463 2.309 50 0 KEAARN CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccco2)(C(F)(F)F)C(=O)N3)cc1OCC ZINC000100121974 554224368 /nfs/dbraw/zinc/22/43/68/554224368.db2.gz SKUAZLXFAHAXET-QHCPKHFHSA-N 0 0 536.463 2.309 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000100147343 554230725 /nfs/dbraw/zinc/23/07/25/554230725.db2.gz RSAIYCJRPJAJTF-RUZDIDTESA-N 0 0 546.502 2.255 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000100147347 554230710 /nfs/dbraw/zinc/23/07/10/554230710.db2.gz RSAIYCJRPJAJTF-VWLOTQADSA-N 0 0 546.502 2.255 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000100148457 554231015 /nfs/dbraw/zinc/23/10/15/554231015.db2.gz MIGCGNWBIKGDLI-XMMPIXPASA-N 0 0 532.475 2.245 50 0 KEAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000100148461 554230904 /nfs/dbraw/zinc/23/09/04/554230904.db2.gz MIGCGNWBIKGDLI-DEOSSOPVSA-N 0 0 532.475 2.245 50 0 KEAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100162573 554235627 /nfs/dbraw/zinc/23/56/27/554235627.db2.gz FVTZFOPRUPQXSV-LUODTHDFSA-N 0 0 524.577 2.038 50 0 KEAARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000100164919 554236244 /nfs/dbraw/zinc/23/62/44/554236244.db2.gz XQLSHABSFQRLSB-JOCHJYFZSA-N 0 0 554.865 2.345 50 0 KEAARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000100164921 554236168 /nfs/dbraw/zinc/23/61/68/554236168.db2.gz XQLSHABSFQRLSB-QFIPXVFZSA-N 0 0 554.865 2.345 50 0 KEAARN COc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OC ZINC000100181674 554241985 /nfs/dbraw/zinc/24/19/85/554241985.db2.gz AOQAVIMJZAOBKT-JOCHJYFZSA-N 0 0 545.639 2.406 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3Cc2ccco2)cc1 ZINC000100186905 554243042 /nfs/dbraw/zinc/24/30/42/554243042.db2.gz RYQMKWAJISJOTR-LJQANCHMSA-N 0 0 543.505 2.194 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3Cc2ccco2)cc1 ZINC000100186911 554243052 /nfs/dbraw/zinc/24/30/52/554243052.db2.gz RYQMKWAJISJOTR-IBGZPJMESA-N 0 0 543.505 2.194 50 0 KEAARN COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1C ZINC000100234228 554258047 /nfs/dbraw/zinc/25/80/47/554258047.db2.gz ZSRBBPPIVBLGMO-UHFFFAOYSA-N 0 0 539.676 2.279 50 0 KEAARN CCOC(=O)C1=C(Cn2c(Nc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000100239389 554260064 /nfs/dbraw/zinc/26/00/64/554260064.db2.gz OJJDJOBCTKUGLN-JOCHJYFZSA-N 0 0 573.610 2.405 50 0 KEAARN CCOC(=O)C1=C(Cn2c(Nc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000100239394 554260023 /nfs/dbraw/zinc/26/00/23/554260023.db2.gz OJJDJOBCTKUGLN-QFIPXVFZSA-N 0 0 573.610 2.405 50 0 KEAARN CC(C)(C)OC(=O)CN(CC[NH+](CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)[O-])CC(=O)OC(C)(C)C ZINC000100340124 554324931 /nfs/dbraw/zinc/32/49/31/554324931.db2.gz YOAXKQZNUYOPFL-UHFFFAOYSA-N 0 0 617.781 2.344 50 0 KEAARN CO[C@H]1O[C@H]([C@@H](O)OC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000100378311 193909789 /nfs/dbraw/zinc/90/97/89/193909789.db2.gz HGETVYKVKDWWIZ-APJCQQALSA-N 0 0 522.506 2.345 50 0 KEAARN CO[C@H]1O[C@H]([C@H](O)OC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000100378315 554361258 /nfs/dbraw/zinc/36/12/58/554361258.db2.gz HGETVYKVKDWWIZ-QEHLSAKUSA-N 0 0 522.506 2.345 50 0 KEAARN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(I)cc1 ZINC000100409112 554374447 /nfs/dbraw/zinc/37/44/47/554374447.db2.gz HEOVRNFGFNZWAX-UHFFFAOYSA-N 0 0 563.439 2.480 50 0 KEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1 ZINC000100409432 554374444 /nfs/dbraw/zinc/37/44/44/554374444.db2.gz CVFILFFOKDWOOB-UHFFFAOYSA-N 0 0 546.339 2.269 50 0 KEAARN COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000100513939 554408721 /nfs/dbraw/zinc/40/87/21/554408721.db2.gz DMLKUPXKUQREOC-HROMDODWSA-N 0 0 575.412 2.186 50 0 KEAARN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000100551345 554414689 /nfs/dbraw/zinc/41/46/89/554414689.db2.gz FJFKOFAODPKJPI-SANMLTNESA-N 0 0 554.694 2.099 50 0 KEAARN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000100551353 554414699 /nfs/dbraw/zinc/41/46/99/554414699.db2.gz FJFKOFAODPKJPI-AREMUKBSSA-N 0 0 554.694 2.099 50 0 KEAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN([C@H]4CC(=O)N(c5cccc(OCC)c5)C4=O)CC3)C2=O)c1 ZINC000100560633 554417807 /nfs/dbraw/zinc/41/78/07/554417807.db2.gz CRJIIOJCYVXWJX-PSWAGMNNSA-N 0 0 520.586 2.066 50 0 KEAARN CCOc1cccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CC(=O)N(c5cccc(OCC)c5)C4=O)CC3)C2=O)c1 ZINC000100560634 554417819 /nfs/dbraw/zinc/41/78/19/554417819.db2.gz CRJIIOJCYVXWJX-DNQXCXABSA-N 0 0 520.586 2.066 50 0 KEAARN CO[C@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CS[C@H]21 ZINC000100620399 554434319 /nfs/dbraw/zinc/43/43/19/554434319.db2.gz QGXKMJVEULWQSB-LADGPHEKSA-N 0 0 524.628 2.106 50 0 KEAARN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000100626405 554434973 /nfs/dbraw/zinc/43/49/73/554434973.db2.gz GWXKSZGNWIFDJC-IADCTJSHSA-N 0 0 597.636 2.494 50 0 KEAARN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000100626406 554434988 /nfs/dbraw/zinc/43/49/88/554434988.db2.gz GWXKSZGNWIFDJC-MUAVYFROSA-N 0 0 597.636 2.494 50 0 KEAARN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000100626407 554434945 /nfs/dbraw/zinc/43/49/45/554434945.db2.gz GWXKSZGNWIFDJC-BTYSJIOQSA-N 0 0 597.636 2.494 50 0 KEAARN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000100626409 554434960 /nfs/dbraw/zinc/43/49/60/554434960.db2.gz GWXKSZGNWIFDJC-RNWIMVQKSA-N 0 0 597.636 2.494 50 0 KEAARN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 ZINC000100626444 554435305 /nfs/dbraw/zinc/43/53/05/554435305.db2.gz UGFDSKRIBKKXLI-IADCTJSHSA-N 0 0 597.636 2.494 50 0 KEAARN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 ZINC000100626445 554435272 /nfs/dbraw/zinc/43/52/72/554435272.db2.gz UGFDSKRIBKKXLI-MUAVYFROSA-N 0 0 597.636 2.494 50 0 KEAARN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 ZINC000100626447 554435262 /nfs/dbraw/zinc/43/52/62/554435262.db2.gz UGFDSKRIBKKXLI-BTYSJIOQSA-N 0 0 597.636 2.494 50 0 KEAARN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)c1 ZINC000100626448 554435303 /nfs/dbraw/zinc/43/53/03/554435303.db2.gz UGFDSKRIBKKXLI-RNWIMVQKSA-N 0 0 597.636 2.494 50 0 KEAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1 ZINC000100627002 554435307 /nfs/dbraw/zinc/43/53/07/554435307.db2.gz IFZCJXZATINISS-HOFKKMOUSA-N 0 0 578.647 2.300 50 0 KEAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccncc2)c1 ZINC000100627003 554435301 /nfs/dbraw/zinc/43/53/01/554435301.db2.gz IFZCJXZATINISS-WNCULLNHSA-N 0 0 578.647 2.300 50 0 KEAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1 ZINC000100627006 554435228 /nfs/dbraw/zinc/43/52/28/554435228.db2.gz IFZCJXZATINISS-KCWPFWIISA-N 0 0 578.647 2.300 50 0 KEAARN COc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccncc2)c1 ZINC000100627007 554435243 /nfs/dbraw/zinc/43/52/43/554435243.db2.gz IFZCJXZATINISS-YIXXDRMTSA-N 0 0 578.647 2.300 50 0 KEAARN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000100629906 554435222 /nfs/dbraw/zinc/43/52/22/554435222.db2.gz KZLMPSIYXALDMI-LVXARBLLSA-N 0 0 567.620 2.498 50 0 KEAARN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000100629908 554435255 /nfs/dbraw/zinc/43/52/55/554435255.db2.gz KZLMPSIYXALDMI-HFZDXXHNSA-N 0 0 567.620 2.498 50 0 KEAARN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000100629910 554435442 /nfs/dbraw/zinc/43/54/42/554435442.db2.gz KZLMPSIYXALDMI-RLWLMLJZSA-N 0 0 567.620 2.498 50 0 KEAARN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 ZINC000100629913 554435446 /nfs/dbraw/zinc/43/54/46/554435446.db2.gz KZLMPSIYXALDMI-QFQXNSOFSA-N 0 0 567.620 2.498 50 0 KEAARN CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000100657338 554438248 /nfs/dbraw/zinc/43/82/48/554438248.db2.gz SYWWPBYRTBWRKE-ISJGIBHGSA-N 0 0 526.703 2.429 50 0 KEAARN CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000100657339 554438173 /nfs/dbraw/zinc/43/81/73/554438173.db2.gz SYWWPBYRTBWRKE-CCDWMCETSA-N 0 0 526.703 2.429 50 0 KEAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCC[NH+]1CCN(CCCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)CC1 ZINC000100700201 554451444 /nfs/dbraw/zinc/45/14/44/554451444.db2.gz QJTUCZXIWMBYSY-LRSLUSHPSA-N 0 0 537.488 2.420 50 0 KEAARN O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCC[NH+]1CCN(CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)CC1 ZINC000100700206 554451363 /nfs/dbraw/zinc/45/13/63/554451363.db2.gz QJTUCZXIWMBYSY-YSFYHYPLSA-N 0 0 537.488 2.420 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100702947 554452519 /nfs/dbraw/zinc/45/25/19/554452519.db2.gz ADNUJAJXWQWULX-SEXPAEGTSA-N 0 0 536.562 2.267 50 0 KEAARN COc1cc2c(cc1OC)[C@H](C1C(=O)CCCC1=O)N(C(=O)CSC(=S)N1CCOCC1)CC2 ZINC000100708279 554453107 /nfs/dbraw/zinc/45/31/07/554453107.db2.gz SUHPZNLKRBTZET-HSZRJFAPSA-N 0 0 506.646 2.418 50 0 KEAARN COc1cc2c(cc1OC)[C@@H](C1C(=O)CCCC1=O)N(C(=O)CSC(=S)N1CCOCC1)CC2 ZINC000100708281 554453118 /nfs/dbraw/zinc/45/31/18/554453118.db2.gz SUHPZNLKRBTZET-QHCPKHFHSA-N 0 0 506.646 2.418 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100720345 554455187 /nfs/dbraw/zinc/45/51/87/554455187.db2.gz BSMKKHOBVIMUCZ-XOBACGFXSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100720346 554455202 /nfs/dbraw/zinc/45/52/02/554455202.db2.gz BSMKKHOBVIMUCZ-SEXPAEGTSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)c1cc(C(=O)OC)c(CC(=O)C(=O)Nc2ccc(OC)cc2)nc1CC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000100721670 554455739 /nfs/dbraw/zinc/45/57/39/554455739.db2.gz PEJGFCRDMUBLSB-UHFFFAOYSA-N 0 0 577.546 2.173 50 0 KEAARN NC(=O)c1ccc(NC(=O)Cn2cnc3c(I)cc(I)cc3c2=O)cc1 ZINC000100744147 554463911 /nfs/dbraw/zinc/46/39/11/554463911.db2.gz KUXIGVRTVCBEAT-UHFFFAOYSA-N 0 0 574.116 2.343 50 0 KEAARN COCCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000100755887 554467142 /nfs/dbraw/zinc/46/71/42/554467142.db2.gz MSIPWYIZZGMAKK-SADKCHQCSA-N 0 0 523.998 2.425 50 0 KEAARN Cc1c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100772329 554471652 /nfs/dbraw/zinc/47/16/52/554471652.db2.gz ORGCEVJIXXAIBM-VWLOTQADSA-N 0 0 595.703 2.187 50 0 KEAARN Cc1c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000100772331 554471603 /nfs/dbraw/zinc/47/16/03/554471603.db2.gz ORGCEVJIXXAIBM-RUZDIDTESA-N 0 0 595.703 2.187 50 0 KEAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1 ZINC000100795407 554473568 /nfs/dbraw/zinc/47/35/68/554473568.db2.gz CSJSSYJWAYWYJD-SANMLTNESA-N 0 0 584.720 2.108 50 0 KEAARN COc1ccccc1N1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1 ZINC000100795412 554473582 /nfs/dbraw/zinc/47/35/82/554473582.db2.gz CSJSSYJWAYWYJD-AREMUKBSSA-N 0 0 584.720 2.108 50 0 KEAARN NS(=O)(=O)c1ccc(N=C2C[C@@H](c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000100813554 554475492 /nfs/dbraw/zinc/47/54/92/554475492.db2.gz OFTCFBBVIOYNJQ-NRFANRHFSA-N 0 0 502.549 2.204 50 0 KEAARN NS(=O)(=O)c1ccc(N=C2C[C@H](c3ccc(F)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000100813556 554475475 /nfs/dbraw/zinc/47/54/75/554475475.db2.gz OFTCFBBVIOYNJQ-OAQYLSRUSA-N 0 0 502.549 2.204 50 0 KEAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(=O)OC)C1 ZINC000100817767 554477924 /nfs/dbraw/zinc/47/79/24/554477924.db2.gz BGBQLZIUQOXYOJ-UHFFFAOYSA-N 0 0 539.676 2.449 50 0 KEAARN COC(=O)Cn1c2ccc(OC)cc2sc1=NC(=O)CSCC(=O)N1CCN(c2ccccc2)CC1 ZINC000100825377 554482013 /nfs/dbraw/zinc/48/20/13/554482013.db2.gz AKQCEHGCCBLBJR-QPLCGJKRSA-N 0 0 528.656 2.394 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838267 554485481 /nfs/dbraw/zinc/48/54/81/554485481.db2.gz OXUDQCZVXPPOBQ-XOBACGFXSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838269 554485459 /nfs/dbraw/zinc/48/54/59/554485459.db2.gz OXUDQCZVXPPOBQ-SEXPAEGTSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838270 554485467 /nfs/dbraw/zinc/48/54/67/554485467.db2.gz FIYIJTAREKIMFY-WLPTYJMBSA-N 0 0 566.588 2.276 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838272 554485469 /nfs/dbraw/zinc/48/54/69/554485469.db2.gz FIYIJTAREKIMFY-RLGZEVEKSA-N 0 0 566.588 2.276 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838275 554485478 /nfs/dbraw/zinc/48/54/78/554485478.db2.gz LQJRFKLUKGSCOL-XOBACGFXSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838277 554485470 /nfs/dbraw/zinc/48/54/70/554485470.db2.gz LQJRFKLUKGSCOL-SEXPAEGTSA-N 0 0 536.562 2.267 50 0 KEAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100838316 554485734 /nfs/dbraw/zinc/48/57/34/554485734.db2.gz ZSOPSYVGSGOTFQ-MYXKAAJQSA-N 0 0 561.616 2.469 50 0 KEAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100838318 554485677 /nfs/dbraw/zinc/48/56/77/554485677.db2.gz ZSOPSYVGSGOTFQ-QQYUXEJHSA-N 0 0 561.616 2.469 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838369 554485689 /nfs/dbraw/zinc/48/56/89/554485689.db2.gz BIQCAVXMPKQTID-XOBACGFXSA-N 0 0 568.604 2.368 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838371 554485770 /nfs/dbraw/zinc/48/57/70/554485770.db2.gz BIQCAVXMPKQTID-SEXPAEGTSA-N 0 0 568.604 2.368 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838377 554485702 /nfs/dbraw/zinc/48/57/02/554485702.db2.gz YCRWAUUQGAXTHM-JGTYQCAFSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000100838378 554485720 /nfs/dbraw/zinc/48/57/20/554485720.db2.gz YCRWAUUQGAXTHM-LYRGBEMXSA-N 0 0 538.578 2.359 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100839239 554487228 /nfs/dbraw/zinc/48/72/28/554487228.db2.gz ANRDPPOABOYMLE-FEYWKWKCSA-N 0 0 547.589 2.079 50 0 KEAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000100839240 554487209 /nfs/dbraw/zinc/48/72/09/554487209.db2.gz ANRDPPOABOYMLE-UGUGFTGJSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cccc(OC)c4n3C)cc2)CC1 ZINC000100843483 554490301 /nfs/dbraw/zinc/49/03/01/554490301.db2.gz WZKJBPWFEJVHOJ-ZNTNEXAZSA-N 0 0 518.617 2.452 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccco3)c2=O)cc1OC ZINC000100852547 554492782 /nfs/dbraw/zinc/49/27/82/554492782.db2.gz FLCPXCPMSXBZHC-UHFFFAOYSA-N 0 0 548.596 2.229 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000100852594 554492736 /nfs/dbraw/zinc/49/27/36/554492736.db2.gz PKTPBPPKFGACBH-UHFFFAOYSA-N 0 0 572.574 2.414 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc(OC)ccc4n3C)cc2)CC1 ZINC000100852854 554493106 /nfs/dbraw/zinc/49/31/06/554493106.db2.gz GNTHYBQSJDCVEY-ZNTNEXAZSA-N 0 0 518.617 2.452 50 0 KEAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000100868975 554497484 /nfs/dbraw/zinc/49/74/84/554497484.db2.gz CYBSFFGDRKWIDR-LJQANCHMSA-N 0 0 514.869 2.176 50 0 KEAARN Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N3)cc1 ZINC000100868979 554497577 /nfs/dbraw/zinc/49/75/77/554497577.db2.gz CYBSFFGDRKWIDR-IBGZPJMESA-N 0 0 514.869 2.176 50 0 KEAARN O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000100868983 554497564 /nfs/dbraw/zinc/49/75/64/554497564.db2.gz NFBPOUUUPVFMIL-GOSISDBHSA-N 0 0 518.832 2.007 50 0 KEAARN O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(F)cc2)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000100868987 554497511 /nfs/dbraw/zinc/49/75/11/554497511.db2.gz NFBPOUUUPVFMIL-SFHVURJKSA-N 0 0 518.832 2.007 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(C(=O)OC)ccc4n3CCOC)cc2)CC1 ZINC000100872435 554501086 /nfs/dbraw/zinc/50/10/86/554501086.db2.gz CKGGKQYHWHMGJI-RFBIWTDZSA-N 0 0 590.680 2.340 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100872934 554501974 /nfs/dbraw/zinc/50/19/74/554501974.db2.gz SPMJCUXTGAIWNL-BZZOAKBMSA-N 0 0 552.700 2.302 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000100872960 554502015 /nfs/dbraw/zinc/50/20/15/554502015.db2.gz NDGRMDVSTWUVCQ-PBPKIEIKSA-N 0 0 566.727 2.404 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000100872961 554501887 /nfs/dbraw/zinc/50/18/87/554501887.db2.gz NDGRMDVSTWUVCQ-JSOFMQCWSA-N 0 0 566.727 2.404 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000100872962 554501968 /nfs/dbraw/zinc/50/19/68/554501968.db2.gz NDGRMDVSTWUVCQ-OONGNWCQSA-N 0 0 566.727 2.404 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000100872988 554501997 /nfs/dbraw/zinc/50/19/97/554501997.db2.gz YIVVDYQUYASJPB-BZZOAKBMSA-N 0 0 552.700 2.158 50 0 KEAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1I ZINC000100873029 554501992 /nfs/dbraw/zinc/50/19/92/554501992.db2.gz GHCZBILSLVTKBE-JZJYNLBNSA-N 0 0 517.370 2.342 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2CCOC)cc1 ZINC000100873202 554502283 /nfs/dbraw/zinc/50/22/83/554502283.db2.gz QNCGITXWNRIDKR-IZHYLOQSSA-N 0 0 537.660 2.382 50 0 KEAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000100873590 554502480 /nfs/dbraw/zinc/50/24/80/554502480.db2.gz FMUZTPKCSUMFHY-GYHWCHFESA-N 0 0 540.689 2.158 50 0 KEAARN CCOCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100873608 554502443 /nfs/dbraw/zinc/50/24/43/554502443.db2.gz DHULKJFODRTHGY-BZZOAKBMSA-N 0 0 552.700 2.302 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)/N=c3\sc4cc(C)ccc4n3CC(=O)OC)cc2)CC1 ZINC000100876078 554504025 /nfs/dbraw/zinc/50/40/25/554504025.db2.gz LVNRNYHBLXBZLD-LCUIJRPUSA-N 0 0 560.654 2.388 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC(=O)OC)cc1 ZINC000100876131 554504075 /nfs/dbraw/zinc/50/40/75/554504075.db2.gz RBJLTPSNOGFJDB-IZHYLOQSSA-N 0 0 535.644 2.209 50 0 KEAARN CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2CC(=O)OC ZINC000100876149 554504061 /nfs/dbraw/zinc/50/40/61/554504061.db2.gz DDQUPLUTUOAFRZ-FCQUAONHSA-N 0 0 505.574 2.044 50 0 KEAARN COC(=O)Cn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100876210 554503999 /nfs/dbraw/zinc/50/39/99/554503999.db2.gz FCTIGASNNVJAAQ-VHXPQNKSSA-N 0 0 517.585 2.188 50 0 KEAARN COC(=O)Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100876356 554504395 /nfs/dbraw/zinc/50/43/95/554504395.db2.gz SFBVFRQRCMGFNX-LNVKXUELSA-N 0 0 509.993 2.291 50 0 KEAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)ccc3n2CC(=O)OC)cc1 ZINC000100876516 554504391 /nfs/dbraw/zinc/50/43/91/554504391.db2.gz LXZCQUOPDZTZRE-BZZOAKBMSA-N 0 0 539.607 2.040 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000100876627 554504441 /nfs/dbraw/zinc/50/44/41/554504441.db2.gz IAHFFMUYXPIIGM-LCUIJRPUSA-N 0 0 509.565 2.495 50 0 KEAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876648 554504643 /nfs/dbraw/zinc/50/46/43/554504643.db2.gz LHNKJXHMPXKSHE-BZZOAKBMSA-N 0 0 568.699 2.075 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000100876705 554504715 /nfs/dbraw/zinc/50/47/15/554504715.db2.gz HSHKWEXUNYWHQI-SGEDCAFJSA-N 0 0 600.700 2.406 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)COc1ccc(Cl)cc1Cl ZINC000100876721 554504603 /nfs/dbraw/zinc/50/46/03/554504603.db2.gz FOBGSNGYEVOEDN-PYCFMQQDSA-N 0 0 504.373 2.336 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100876731 554504626 /nfs/dbraw/zinc/50/46/26/554504626.db2.gz BYZNCWMPGHPLAS-SGEDCAFJSA-N 0 0 600.700 2.011 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100876794 554504598 /nfs/dbraw/zinc/50/45/98/554504598.db2.gz HQMLFMRSBADWFQ-LCUIJRPUSA-N 0 0 574.662 2.089 50 0 KEAARN CCOc1cc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc(OCC)c1OCC ZINC000100876820 554504672 /nfs/dbraw/zinc/50/46/72/554504672.db2.gz KANMBOVVZRYVNC-BZZOAKBMSA-N 0 0 537.616 2.460 50 0 KEAARN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876830 554504710 /nfs/dbraw/zinc/50/47/10/554504710.db2.gz QEOHAWCPQCHDLG-BZZOAKBMSA-N 0 0 568.699 2.075 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000100876837 554504633 /nfs/dbraw/zinc/50/46/33/554504633.db2.gz BQEBORFUYDZSDM-LCUIJRPUSA-N 0 0 580.710 2.218 50 0 KEAARN COC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100876840 554505018 /nfs/dbraw/zinc/50/50/18/554505018.db2.gz FNQZZQLEBVHNAA-RFBIWTDZSA-N 0 0 588.689 2.085 50 0 KEAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876844 554505033 /nfs/dbraw/zinc/50/50/33/554505033.db2.gz RACFFLRAPDKTJC-SGEDCAFJSA-N 0 0 602.716 2.475 50 0 KEAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876848 554504981 /nfs/dbraw/zinc/50/49/81/554504981.db2.gz PMXXCYXJOSKQNB-HIDBMEOHSA-N 0 0 580.710 2.218 50 0 KEAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876851 554504940 /nfs/dbraw/zinc/50/49/40/554504940.db2.gz PMXXCYXJOSKQNB-ZRZCPFIBSA-N 0 0 580.710 2.218 50 0 KEAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OC)cc1 ZINC000100876870 554505031 /nfs/dbraw/zinc/50/50/31/554505031.db2.gz JTASOLBJNHLBLS-RFBIWTDZSA-N 0 0 588.689 2.480 50 0 KEAARN COC(=O)Cn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100876902 554504963 /nfs/dbraw/zinc/50/49/63/554504963.db2.gz JYLVIRUQVVDRNQ-BZZOAKBMSA-N 0 0 516.601 2.360 50 0 KEAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100877007 554504959 /nfs/dbraw/zinc/50/49/59/554504959.db2.gz LYHVYCLLBUOBCC-NZOPGYSESA-N 0 0 533.628 2.423 50 0 KEAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000100877009 554504925 /nfs/dbraw/zinc/50/49/25/554504925.db2.gz LYHVYCLLBUOBCC-SCDOFFFQSA-N 0 0 533.628 2.423 50 0 KEAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100877013 554504936 /nfs/dbraw/zinc/50/49/36/554504936.db2.gz LYHVYCLLBUOBCC-WYRJXPFJSA-N 0 0 533.628 2.423 50 0 KEAARN CCOC(=O)Cn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100877167 554505336 /nfs/dbraw/zinc/50/53/36/554505336.db2.gz IKOJMQRXTIMEHZ-VHXPQNKSSA-N 0 0 503.602 2.336 50 0 KEAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OCC)cc1 ZINC000100877479 554505208 /nfs/dbraw/zinc/50/52/08/554505208.db2.gz ROSCROMERWDAQV-LCUIJRPUSA-N 0 0 582.726 2.465 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(Br)s1 ZINC000100877501 554505313 /nfs/dbraw/zinc/50/53/13/554505313.db2.gz POMMNAXBZXUXDL-MNDPQUGUSA-N 0 0 504.409 2.478 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100877506 554505173 /nfs/dbraw/zinc/50/51/73/554505173.db2.gz WADQRMHZWHSJRG-LCUIJRPUSA-N 0 0 580.710 2.219 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000100877554 554505551 /nfs/dbraw/zinc/50/55/51/554505551.db2.gz LOWWTQZAOUHJAY-KFHLKHCFSA-N 0 0 594.737 2.321 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000100877557 554505560 /nfs/dbraw/zinc/50/55/60/554505560.db2.gz LOWWTQZAOUHJAY-DLQBEQTCSA-N 0 0 594.737 2.321 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000100877560 554505513 /nfs/dbraw/zinc/50/55/13/554505513.db2.gz LOWWTQZAOUHJAY-KSNRWRLWSA-N 0 0 594.737 2.321 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000100877573 554505554 /nfs/dbraw/zinc/50/55/54/554505554.db2.gz SEMLQCMAMFJDNE-OHYPFYFLSA-N 0 0 614.727 2.401 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000100877598 554505529 /nfs/dbraw/zinc/50/55/29/554505529.db2.gz DNHMTNDUJNFAGK-LCUIJRPUSA-N 0 0 580.710 2.075 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000100877602 554505585 /nfs/dbraw/zinc/50/55/85/554505585.db2.gz XXZFJNOWBVPCOZ-KSHNMARYSA-N 0 0 580.710 2.075 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 ZINC000100877603 554505587 /nfs/dbraw/zinc/50/55/87/554505587.db2.gz XXZFJNOWBVPCOZ-VQUQMLDKSA-N 0 0 580.710 2.075 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000100877606 554505534 /nfs/dbraw/zinc/50/55/34/554505534.db2.gz AZCHHCWMJIXHKJ-KSHNMARYSA-N 0 0 580.710 2.218 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000100877608 554505526 /nfs/dbraw/zinc/50/55/26/554505526.db2.gz AZCHHCWMJIXHKJ-VQUQMLDKSA-N 0 0 580.710 2.218 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000100877651 554505522 /nfs/dbraw/zinc/50/55/22/554505522.db2.gz FHXXHOAJCOROFH-RFBIWTDZSA-N 0 0 588.689 2.480 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1I ZINC000100877667 554505572 /nfs/dbraw/zinc/50/55/72/554505572.db2.gz FZLRQBAQPWFXJS-UZYVYHOESA-N 0 0 545.380 2.259 50 0 KEAARN CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100877690 554505518 /nfs/dbraw/zinc/50/55/18/554505518.db2.gz VCSYBAQIJXTASF-SGEDCAFJSA-N 0 0 602.716 2.475 50 0 KEAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000100886449 554508734 /nfs/dbraw/zinc/50/87/34/554508734.db2.gz NRFDFJPCUYREJO-GASCZTMLSA-N 0 0 502.818 2.318 50 0 KEAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000100886451 554508717 /nfs/dbraw/zinc/50/87/17/554508717.db2.gz NRFDFJPCUYREJO-HUUCEWRRSA-N 0 0 502.818 2.318 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000100886925 554509039 /nfs/dbraw/zinc/50/90/39/554509039.db2.gz LSWGCTUTYCYFCC-GAISBVLPSA-N 0 0 586.464 2.434 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(N)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000100886926 554509049 /nfs/dbraw/zinc/50/90/49/554509049.db2.gz LSWGCTUTYCYFCC-AGIMELGASA-N 0 0 586.464 2.434 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100887641 554509061 /nfs/dbraw/zinc/50/90/61/554509061.db2.gz CDDMNFHEBQEPSK-ZCCPQQFYSA-N 0 0 589.626 2.386 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OCC)c1 ZINC000100887643 554509054 /nfs/dbraw/zinc/50/90/54/554509054.db2.gz CDDMNFHEBQEPSK-ULWNEYHBSA-N 0 0 589.626 2.386 50 0 KEAARN COc1cc(C(=O)N2CCN(C[C@@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)cc(OC)c1OC ZINC000100887834 554509463 /nfs/dbraw/zinc/50/94/63/554509463.db2.gz BJORSVLDUPOKDX-JOCHJYFZSA-N 0 0 548.036 2.430 50 0 KEAARN COc1cc(C(=O)N2CCN(C[C@H]3CN(C(=O)COc4ccc(Cl)cc4)CCO3)CC2)cc(OC)c1OC ZINC000100887836 554509376 /nfs/dbraw/zinc/50/93/76/554509376.db2.gz BJORSVLDUPOKDX-QFIPXVFZSA-N 0 0 548.036 2.430 50 0 KEAARN COc1cc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000100903056 554515349 /nfs/dbraw/zinc/51/53/49/554515349.db2.gz SFMBEAXHIWEEGG-ZDLGFXPLSA-N 0 0 532.347 2.485 50 0 KEAARN COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000100910603 554517324 /nfs/dbraw/zinc/51/73/24/554517324.db2.gz MMHVVKCBIXBDNO-VHXPQNKSSA-N 0 0 503.602 2.255 50 0 KEAARN CCOC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000100919805 554520803 /nfs/dbraw/zinc/52/08/03/554520803.db2.gz QOVGWWVMKZJFNB-UHFFFAOYSA-N 0 0 547.615 2.157 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccccc4OC)nn32)cc1 ZINC000100928612 554525569 /nfs/dbraw/zinc/52/55/69/554525569.db2.gz UZEZHGOPTICQGU-UHFFFAOYSA-N 0 0 528.616 2.393 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCCc4ccccc4)nn32)cc1 ZINC000100928626 554525593 /nfs/dbraw/zinc/52/55/93/554525593.db2.gz HFOFCWQKVLHURF-UHFFFAOYSA-N 0 0 526.644 2.105 50 0 KEAARN COc1cc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000100929578 554526132 /nfs/dbraw/zinc/52/61/32/554526132.db2.gz SFMBEAXHIWEEGG-VCHYOVAHSA-N 0 0 532.347 2.485 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)S(=O)(=O)c2ccc(OC)cc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000100968426 554543348 /nfs/dbraw/zinc/54/33/48/554543348.db2.gz DDNKVSCRESREKD-UHFFFAOYSA-N 0 0 592.740 2.035 50 0 KEAARN CCCCOC(=O)C1=C(N)OC(CC(=O)OC)=C(C(=O)OC)[C@@]12c1cc(Br)ccc1NC2=O ZINC000100988403 554549216 /nfs/dbraw/zinc/54/92/16/554549216.db2.gz OVRTXQRVCGRWKL-QFIPXVFZSA-N 0 0 523.336 2.173 50 0 KEAARN COC(=O)Cn1c2cc3c(cc2s/c1=N/C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)OCCO3 ZINC000100988440 554549113 /nfs/dbraw/zinc/54/91/13/554549113.db2.gz DIBLTYUTQQJNBA-FAFWDCIRSA-N 0 0 537.641 2.379 50 0 KEAARN COC(=O)Cn1c2cc3c(cc2s/c1=N/C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)OCCO3 ZINC000100988442 554549243 /nfs/dbraw/zinc/54/92/43/554549243.db2.gz DIBLTYUTQQJNBA-DGIAWOHRSA-N 0 0 537.641 2.379 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000101008280 554556570 /nfs/dbraw/zinc/55/65/70/554556570.db2.gz YZGBBVXKJHWWKV-UHFFFAOYSA-N 0 0 548.547 2.340 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c2ncn(Cc2cccc4ccccc42)c3=O)cc1 ZINC000101008295 554556573 /nfs/dbraw/zinc/55/65/73/554556573.db2.gz BMPDLGXGJSQXJB-UHFFFAOYSA-N 0 0 530.610 2.475 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)NC(=O)N[C@@H]1C ZINC000101010300 554557667 /nfs/dbraw/zinc/55/76/67/554557667.db2.gz STFBVIYPTBFLSC-OAHLLOKOSA-N 0 0 529.571 2.122 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)NC(=O)N[C@H]1C ZINC000101010302 554557630 /nfs/dbraw/zinc/55/76/30/554557630.db2.gz STFBVIYPTBFLSC-HNNXBMFYSA-N 0 0 529.571 2.122 50 0 KEAARN COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(I)cc2)CN=3)cc(OC)c1OC ZINC000101026088 554563856 /nfs/dbraw/zinc/56/38/56/554563856.db2.gz TUXORJXDQIBCAD-ZDLGFXPLSA-N 0 0 537.379 2.424 50 0 KEAARN CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(I)cc1)CN=3)C(=O)N2 ZINC000101027399 554564059 /nfs/dbraw/zinc/56/40/59/554564059.db2.gz QSGPNMMHESVAQD-ZCXUNETKSA-N 0 0 532.363 2.119 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)c2)CC1 ZINC000101054069 554568989 /nfs/dbraw/zinc/56/89/89/554568989.db2.gz GSRCPKBAZNDIJT-UHFFFAOYSA-N 0 0 587.562 2.295 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c2)CC1 ZINC000101054082 554568961 /nfs/dbraw/zinc/56/89/61/554568961.db2.gz FAQYNDDNRRYUAU-UHFFFAOYSA-N 0 0 561.101 2.325 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)c2)CC1 ZINC000101054102 554568897 /nfs/dbraw/zinc/56/88/97/554568897.db2.gz IMSWMALHMXMMMW-UHFFFAOYSA-N 0 0 550.747 2.458 50 0 KEAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)c2)CC1 ZINC000101054537 554569273 /nfs/dbraw/zinc/56/92/73/554569273.db2.gz PWQMRRWRHDDVQS-UHFFFAOYSA-N 0 0 543.111 2.186 50 0 KEAARN COc1ccc(NC(=O)COC(=O)CN2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(OC)cc4)cc3C2=O)cc1 ZINC000101089783 554581426 /nfs/dbraw/zinc/58/14/26/554581426.db2.gz IQANBMPALZELTJ-UHFFFAOYSA-N 0 0 575.530 2.277 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(F)cc4)CC3)nn2)cc1OC ZINC000101092486 554583056 /nfs/dbraw/zinc/58/30/56/554583056.db2.gz ZELKTWAOUMIMNV-UHFFFAOYSA-N 0 0 592.672 2.423 50 0 KEAARN COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)c1 ZINC000101092579 554583059 /nfs/dbraw/zinc/58/30/59/554583059.db2.gz OKKSTHOEKDDATG-UHFFFAOYSA-N 0 0 574.682 2.284 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)cc1OC ZINC000101093266 554583298 /nfs/dbraw/zinc/58/32/98/554583298.db2.gz CDWYRZYOMCXGJP-UHFFFAOYSA-N 0 0 554.692 2.016 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4)CC3)nn2)cc1OC ZINC000101093269 554583306 /nfs/dbraw/zinc/58/33/06/554583306.db2.gz MVKJYRWSEOLHCE-UHFFFAOYSA-N 0 0 574.682 2.284 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4F)CC3)nn2)cc1OC ZINC000101093353 554583504 /nfs/dbraw/zinc/58/35/04/554583504.db2.gz RJASOCLVHGGLDW-UHFFFAOYSA-N 0 0 592.672 2.423 50 0 KEAARN O=C(CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000101093649 554583548 /nfs/dbraw/zinc/58/35/48/554583548.db2.gz CRRZNWXROVAHOH-UHFFFAOYSA-N 0 0 529.391 2.306 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4cccs4)CC3)nn2)cc1OC ZINC000101093671 554583541 /nfs/dbraw/zinc/58/35/41/554583541.db2.gz HQQUDXJVJSRVFL-UHFFFAOYSA-N 0 0 580.711 2.346 50 0 KEAARN COC(=O)Cn1c2cc(OC)c(OC)cc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000101093775 554583584 /nfs/dbraw/zinc/58/35/84/554583584.db2.gz OXRAIEPRVDPQHL-GHVJWSGMSA-N 0 0 539.657 2.483 50 0 KEAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCN(c3ccc(-c4cccc(OC)c4)nn3)CC2)cc1 ZINC000101093801 554583523 /nfs/dbraw/zinc/58/35/23/554583523.db2.gz PXVFMYIVYPKMQL-UHFFFAOYSA-N 0 0 574.682 2.284 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)CC(C)C)CC3)nn2)c(OC)c1 ZINC000101095187 554584215 /nfs/dbraw/zinc/58/42/15/554584215.db2.gz NHRMOXPMKDNLGX-UHFFFAOYSA-N 0 0 554.692 2.016 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4cccc(F)c4)CC3)nn2)c(OC)c1 ZINC000101095263 554584446 /nfs/dbraw/zinc/58/44/46/554584446.db2.gz FQRNJWCVWDZOFX-UHFFFAOYSA-N 0 0 592.672 2.423 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4F)CC3)nn2)c(OC)c1 ZINC000101095274 554584457 /nfs/dbraw/zinc/58/44/57/554584457.db2.gz KMPSRYOOMIRNKR-UHFFFAOYSA-N 0 0 592.672 2.423 50 0 KEAARN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc4c(cc3N3CCOCC3)n(C)c(=O)c(=O)n4C)cc2c1C ZINC000101096710 554584685 /nfs/dbraw/zinc/58/46/85/554584685.db2.gz NJZZSLIBWRZTKN-UHFFFAOYSA-N 0 0 556.597 2.106 50 0 KEAARN NC(=O)C1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000101099545 554585988 /nfs/dbraw/zinc/58/59/88/554585988.db2.gz YDGGVAWJEJLPJD-UHFFFAOYSA-N 0 0 551.463 2.424 50 0 KEAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000101103458 554639385 /nfs/dbraw/zinc/63/93/85/554639385.db2.gz IROGWUCPHAGXNL-JOCHJYFZSA-N 0 0 565.490 2.249 50 0 KEAARN O=C(NCCCN1CCOCC1)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Br)c1)N2 ZINC000101103460 554639346 /nfs/dbraw/zinc/63/93/46/554639346.db2.gz IROGWUCPHAGXNL-QFIPXVFZSA-N 0 0 565.490 2.249 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)c1 ZINC000101112852 554642090 /nfs/dbraw/zinc/64/20/90/554642090.db2.gz UVCMFOPEGYUMLM-UHFFFAOYSA-N 0 0 540.602 2.337 50 0 KEAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000101112858 554642107 /nfs/dbraw/zinc/64/21/07/554642107.db2.gz CFNDCRLUHUJDEK-UHFFFAOYSA-N 0 0 540.602 2.337 50 0 KEAARN CC(=O)OC[C@H]1O[C@@H](COc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101124055 554644560 /nfs/dbraw/zinc/64/45/60/554644560.db2.gz BONQKRLFQLSKSA-MMKSVXGCSA-N 0 0 593.607 2.087 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128388 554646726 /nfs/dbraw/zinc/64/67/26/554646726.db2.gz QVIZXGXZWLSVSO-FJWZAKCXSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128392 554646658 /nfs/dbraw/zinc/64/66/58/554646658.db2.gz QVIZXGXZWLSVSO-RQLGBQGVSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128401 554646704 /nfs/dbraw/zinc/64/67/04/554646704.db2.gz OMMKRPTUPJAHJA-SEXPAEGTSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128404 554646725 /nfs/dbraw/zinc/64/67/25/554646725.db2.gz OMMKRPTUPJAHJA-XOBACGFXSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128419 554646697 /nfs/dbraw/zinc/64/66/97/554646697.db2.gz WSJAIEZQEMUPBE-XOBACGFXSA-N 0 0 538.578 2.359 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000101128422 554646677 /nfs/dbraw/zinc/64/66/77/554646677.db2.gz WSJAIEZQEMUPBE-SEXPAEGTSA-N 0 0 538.578 2.359 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000101131523 554650515 /nfs/dbraw/zinc/65/05/15/554650515.db2.gz QDZBVHSYWOUNQA-ZTPIVRPASA-N 0 0 602.545 2.276 50 0 KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000101131528 554650509 /nfs/dbraw/zinc/65/05/09/554650509.db2.gz QDZBVHSYWOUNQA-UIGAIOKKSA-N 0 0 602.545 2.276 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000101131530 554650590 /nfs/dbraw/zinc/65/05/90/554650590.db2.gz QDZBVHSYWOUNQA-KIGKJZQMSA-N 0 0 602.545 2.276 50 0 KEAARN CC(=O)OC[C@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000101131533 554650480 /nfs/dbraw/zinc/65/04/80/554650480.db2.gz QDZBVHSYWOUNQA-ADWZMSLQSA-N 0 0 602.545 2.276 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101131595 554650545 /nfs/dbraw/zinc/65/05/45/554650545.db2.gz QDZBVHSYWOUNQA-OHWAONTASA-N 0 0 602.545 2.276 50 0 KEAARN CC(=O)OC[C@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101131598 554650535 /nfs/dbraw/zinc/65/05/35/554650535.db2.gz QDZBVHSYWOUNQA-LILOYGOGSA-N 0 0 602.545 2.276 50 0 KEAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)CCCC2 ZINC000101170402 554661497 /nfs/dbraw/zinc/66/14/97/554661497.db2.gz VBXTZRIJUOTCTN-IOMROCGXSA-N 0 0 541.575 2.100 50 0 KEAARN CCOC(=O)c1c2c(sc1NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)CCCC2 ZINC000101170406 554661504 /nfs/dbraw/zinc/66/15/04/554661504.db2.gz VBXTZRIJUOTCTN-DZFGPLHGSA-N 0 0 541.575 2.100 50 0 KEAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000101181585 554667144 /nfs/dbraw/zinc/66/71/44/554667144.db2.gz ZVSQCJVVKRTPSB-UHFFFAOYSA-N 0 0 602.724 2.347 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)c(OC)c1 ZINC000101187411 554669611 /nfs/dbraw/zinc/66/96/11/554669611.db2.gz LGEHDDPXZIRGFL-UHFFFAOYSA-N 0 0 585.617 2.206 50 0 KEAARN CCc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)c1 ZINC000101192630 554670970 /nfs/dbraw/zinc/67/09/70/554670970.db2.gz VFNIHQLZGHTHAE-UHFFFAOYSA-N 0 0 553.670 2.268 50 0 KEAARN Cc1sc2ncn(CC(=O)N[C@@H](C)CCc3ccccc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101192654 554670999 /nfs/dbraw/zinc/67/09/99/554670999.db2.gz RJDPMWQFYWOUNH-IBGZPJMESA-N 0 0 581.724 2.205 50 0 KEAARN Cc1sc2ncn(CC(=O)N[C@H](C)CCc3ccccc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101192657 554671037 /nfs/dbraw/zinc/67/10/37/554671037.db2.gz RJDPMWQFYWOUNH-LJQANCHMSA-N 0 0 581.724 2.205 50 0 KEAARN CSc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)c1 ZINC000101192658 554671031 /nfs/dbraw/zinc/67/10/31/554671031.db2.gz XNTJMAKPTDXARB-UHFFFAOYSA-N 0 0 571.710 2.428 50 0 KEAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1 ZINC000101210502 554679302 /nfs/dbraw/zinc/67/93/02/554679302.db2.gz AZUHNUISVHRZAY-UHFFFAOYSA-N 0 0 555.591 2.197 50 0 KEAARN O=C(COc1ccccc1)N1CCN(c2nc(CN3CCN(Cc4ccc(Cl)cc4)CC3)cc(=O)[nH]2)CC1 ZINC000101210744 554679211 /nfs/dbraw/zinc/67/92/11/554679211.db2.gz PVSUTDWUOLSIMQ-UHFFFAOYSA-N 0 0 537.064 2.469 50 0 KEAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N(C)CCc4ccccn4)c(=O)c32)CC1 ZINC000101222756 554687883 /nfs/dbraw/zinc/68/78/83/554687883.db2.gz HKKWBKGAOYRMFV-UHFFFAOYSA-N 0 0 596.735 2.382 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)C1 ZINC000101222778 554687881 /nfs/dbraw/zinc/68/78/81/554687881.db2.gz IMPBTBNDLSGKSW-HXUWFJFHSA-N 0 0 617.750 2.088 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)C1 ZINC000101222780 554687898 /nfs/dbraw/zinc/68/78/98/554687898.db2.gz IMPBTBNDLSGKSW-FQEVSTJZSA-N 0 0 617.750 2.088 50 0 KEAARN CCN(CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O)c1cccc(C)c1 ZINC000101223253 554688206 /nfs/dbraw/zinc/68/82/06/554688206.db2.gz BIRNJEGTFSLRLE-UHFFFAOYSA-N 0 0 547.703 2.129 50 0 KEAARN COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264779 554698145 /nfs/dbraw/zinc/69/81/45/554698145.db2.gz KPYYXQFAXICZCS-JOCHJYFZSA-N 0 0 533.551 2.192 50 0 KEAARN COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264782 554698175 /nfs/dbraw/zinc/69/81/75/554698175.db2.gz KPYYXQFAXICZCS-QFIPXVFZSA-N 0 0 533.551 2.192 50 0 KEAARN CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264784 554698152 /nfs/dbraw/zinc/69/81/52/554698152.db2.gz AVIHJXHFJHJLDS-HSZRJFAPSA-N 0 0 545.562 2.386 50 0 KEAARN CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264785 554698173 /nfs/dbraw/zinc/69/81/73/554698173.db2.gz AVIHJXHFJHJLDS-QHCPKHFHSA-N 0 0 545.562 2.386 50 0 KEAARN CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264786 554698181 /nfs/dbraw/zinc/69/81/81/554698181.db2.gz WDDHSGOIZWMUML-HSZRJFAPSA-N 0 0 560.577 2.142 50 0 KEAARN CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101264787 554698142 /nfs/dbraw/zinc/69/81/42/554698142.db2.gz WDDHSGOIZWMUML-QHCPKHFHSA-N 0 0 560.577 2.142 50 0 KEAARN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264803 554698149 /nfs/dbraw/zinc/69/81/49/554698149.db2.gz AWIWBUQSBYIZMN-XMMPIXPASA-N 0 0 545.596 2.186 50 0 KEAARN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000101264805 554698172 /nfs/dbraw/zinc/69/81/72/554698172.db2.gz AWIWBUQSBYIZMN-DEOSSOPVSA-N 0 0 545.596 2.186 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000101266719 554699291 /nfs/dbraw/zinc/69/92/91/554699291.db2.gz MLAWOFPWVVADSQ-HDICACEKSA-N 0 0 544.703 2.177 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000101266720 554699299 /nfs/dbraw/zinc/69/92/99/554699299.db2.gz MLAWOFPWVVADSQ-ROUUACIJSA-N 0 0 544.703 2.177 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000101266721 554699265 /nfs/dbraw/zinc/69/92/65/554699265.db2.gz MLAWOFPWVVADSQ-QZTJIDSGSA-N 0 0 544.703 2.177 50 0 KEAARN COc1ccc(NC(=O)Cn2c3cc(OC)c(OC)cc3c(=O)n(CCC(=O)NCc3ccco3)c2=O)cc1 ZINC000101267675 554699560 /nfs/dbraw/zinc/69/95/60/554699560.db2.gz DIXUXUHVDUIIBL-UHFFFAOYSA-N 0 0 536.541 2.127 50 0 KEAARN COc1ccccc1NC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(CCC(=O)NCc2ccco2)c1=O ZINC000101267676 554699573 /nfs/dbraw/zinc/69/95/73/554699573.db2.gz CEDHVMVIZBAJRC-UHFFFAOYSA-N 0 0 536.541 2.127 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1)c(=O)n(CCCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000101267692 554699570 /nfs/dbraw/zinc/69/95/70/554699570.db2.gz ZYGVQRKNDVCLNX-FQEVSTJZSA-N 0 0 538.601 2.203 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1ccc(C)cc1)c(=O)n(CCCC(=O)NC[C@H]1CCCO1)c2=O ZINC000101267696 554699596 /nfs/dbraw/zinc/69/95/96/554699596.db2.gz ZYGVQRKNDVCLNX-HXUWFJFHSA-N 0 0 538.601 2.203 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n(CCC(=O)NC[C@@H]1CCCO1)c2=O ZINC000101267713 554699506 /nfs/dbraw/zinc/69/95/06/554699506.db2.gz GLPIRSLACRAWSJ-SFHVURJKSA-N 0 0 544.992 2.158 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)Nc1cccc(Cl)c1)c(=O)n(CCC(=O)NC[C@H]1CCCO1)c2=O ZINC000101267714 554699484 /nfs/dbraw/zinc/69/94/84/554699484.db2.gz GLPIRSLACRAWSJ-GOSISDBHSA-N 0 0 544.992 2.158 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)N1CCCc3ccccc31)c(=O)n(CCC(=O)NCc1ccco1)c2=O ZINC000101267715 554699515 /nfs/dbraw/zinc/69/95/15/554699515.db2.gz DAQKNONTHDKPBH-UHFFFAOYSA-N 0 0 546.580 2.459 50 0 KEAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000101269067 554700028 /nfs/dbraw/zinc/70/00/28/554700028.db2.gz IMFOMAPIMJCVOB-UHFFFAOYSA-N 0 0 540.667 2.454 50 0 KEAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000101273194 554701607 /nfs/dbraw/zinc/70/16/07/554701607.db2.gz FCWXDTLRMDGIHK-MRXNPFEDSA-N 0 0 517.379 2.480 50 0 KEAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@H]1c1ccc(O)c(OC)c1 ZINC000101273195 554701649 /nfs/dbraw/zinc/70/16/49/554701649.db2.gz FCWXDTLRMDGIHK-INIZCTEOSA-N 0 0 517.379 2.480 50 0 KEAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)N3CCCCC3)c2=O)cc1 ZINC000101273627 554701956 /nfs/dbraw/zinc/70/19/56/554701956.db2.gz UWKJYLQJMMASMV-UHFFFAOYSA-N 0 0 552.628 2.008 50 0 KEAARN O=C(Cn1nc2n(c3ccsc3c(=O)n2Cc2cccs2)c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000101277341 554703448 /nfs/dbraw/zinc/70/34/48/554703448.db2.gz OFFXFFPGIPIXNV-UHFFFAOYSA-N 0 0 524.603 2.470 50 0 KEAARN COc1ccccc1N1CCN(C(=O)Cn2nc3n(c4ccsc4c(=O)n3Cc3cccs3)c2=O)CC1 ZINC000101277412 554703932 /nfs/dbraw/zinc/70/39/32/554703932.db2.gz JLYSPDCMJAWHSE-UHFFFAOYSA-N 0 0 536.639 2.340 50 0 KEAARN Cc1sc2ncn(CC(=O)NCCC3=CCCCC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304256 554714288 /nfs/dbraw/zinc/71/42/88/554714288.db2.gz GZFXMLLZOSVQIZ-UHFFFAOYSA-N 0 0 557.702 2.074 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3cccc(Cl)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304276 554714248 /nfs/dbraw/zinc/71/42/48/554714248.db2.gz GLQOAYCUSLJYGW-UHFFFAOYSA-N 0 0 560.061 2.359 50 0 KEAARN Cc1sc2ncn(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304299 554714291 /nfs/dbraw/zinc/71/42/91/554714291.db2.gz GXRBLBZGYLANRL-UHFFFAOYSA-N 0 0 578.051 2.499 50 0 KEAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1Cl ZINC000101304306 554714278 /nfs/dbraw/zinc/71/42/78/554714278.db2.gz ZQKYESMUEIHLHD-UHFFFAOYSA-N 0 0 590.087 2.368 50 0 KEAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000101304321 554714304 /nfs/dbraw/zinc/71/43/04/554714304.db2.gz VNGJCOZJBVNJKT-UHFFFAOYSA-N 0 0 590.087 2.368 50 0 KEAARN COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1Cl ZINC000101304345 554714250 /nfs/dbraw/zinc/71/42/50/554714250.db2.gz OKDCGGLDZSKWGQ-UHFFFAOYSA-N 0 0 620.113 2.377 50 0 KEAARN Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304396 554714303 /nfs/dbraw/zinc/71/43/03/554714303.db2.gz SWIHYLJUSIQWFQ-JENIJYKNSA-N 0 0 559.718 2.008 50 0 KEAARN Cc1sc2ncn(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304405 554714240 /nfs/dbraw/zinc/71/42/40/554714240.db2.gz SWIHYLJUSIQWFQ-ZIFCJYIRSA-N 0 0 559.718 2.008 50 0 KEAARN CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1 ZINC000101304491 554714401 /nfs/dbraw/zinc/71/44/01/554714401.db2.gz CNRRUYZFIHCLJF-UHFFFAOYSA-N 0 0 569.669 2.105 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3ccc(Cl)cc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304654 554714419 /nfs/dbraw/zinc/71/44/19/554714419.db2.gz HPWCHTQVKHBSIC-UHFFFAOYSA-N 0 0 574.088 2.384 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3ccccc3C)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304708 554714671 /nfs/dbraw/zinc/71/46/71/554714671.db2.gz NILLTDMLWHRHHG-UHFFFAOYSA-N 0 0 553.670 2.039 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3cccc(Cl)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304711 554714668 /nfs/dbraw/zinc/71/46/68/554714668.db2.gz LLXVVWGIYBRNPI-UHFFFAOYSA-N 0 0 574.088 2.384 50 0 KEAARN COc1ccc(C)cc1N(C)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000101304715 554714660 /nfs/dbraw/zinc/71/46/60/554714660.db2.gz JFWFDLIIQQJZCV-UHFFFAOYSA-N 0 0 583.696 2.047 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3ccc(C)c(C)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304723 554714643 /nfs/dbraw/zinc/71/46/43/554714643.db2.gz NPFHQTWLVNWQSP-UHFFFAOYSA-N 0 0 567.697 2.347 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3ccc(Br)cc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304740 554714669 /nfs/dbraw/zinc/71/46/69/554714669.db2.gz DXZISHAQJNTEIM-UHFFFAOYSA-N 0 0 618.539 2.493 50 0 KEAARN CCN(C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1cccc(C)c1 ZINC000101304750 554714653 /nfs/dbraw/zinc/71/46/53/554714653.db2.gz NTCQPQVONPQFMT-UHFFFAOYSA-N 0 0 567.697 2.429 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3cc(C)ccc3C)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304754 554714665 /nfs/dbraw/zinc/71/46/65/554714665.db2.gz SLEOZQUUJKZGJX-UHFFFAOYSA-N 0 0 567.697 2.347 50 0 KEAARN CCN(C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1ccccc1C ZINC000101304758 554714659 /nfs/dbraw/zinc/71/46/59/554714659.db2.gz VFULTUWIGMQTOJ-UHFFFAOYSA-N 0 0 567.697 2.429 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3ccccc3Cl)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304761 554714676 /nfs/dbraw/zinc/71/46/76/554714676.db2.gz UURWGKSNGVSFAM-UHFFFAOYSA-N 0 0 574.088 2.384 50 0 KEAARN CCN(C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O)c1ccc(F)cc1 ZINC000101304764 554714674 /nfs/dbraw/zinc/71/46/74/554714674.db2.gz YJOOUWNHVXYSDD-UHFFFAOYSA-N 0 0 571.660 2.260 50 0 KEAARN Cc1sc2ncn(CC(=O)N(C)c3cccc(C)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304774 554714645 /nfs/dbraw/zinc/71/46/45/554714645.db2.gz XSEMQCYTMYANIY-UHFFFAOYSA-N 0 0 553.670 2.039 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000101304923 554714866 /nfs/dbraw/zinc/71/48/66/554714866.db2.gz HXRJAZFOKAXVQN-UHFFFAOYSA-N 0 0 539.548 2.045 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccccc3)c2=O)cc1OC ZINC000101318245 554725151 /nfs/dbraw/zinc/72/51/51/554725151.db2.gz NGHKQVSEAGBGHD-UHFFFAOYSA-N 0 0 550.637 2.307 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1OC ZINC000101318345 554725420 /nfs/dbraw/zinc/72/54/20/554725420.db2.gz IVPZAVMRIMRCJQ-UHFFFAOYSA-N 0 0 594.646 2.036 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000101318358 554725418 /nfs/dbraw/zinc/72/54/18/554725418.db2.gz JQISMBPGFBCBCQ-UHFFFAOYSA-N 0 0 564.576 2.085 50 0 KEAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O)NCc1ccc2c(c1)OCO2 ZINC000101318408 554725385 /nfs/dbraw/zinc/72/53/85/554725385.db2.gz ZDOJJUPZMHSWMY-UHFFFAOYSA-N 0 0 524.530 2.438 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)cc1OC ZINC000101318542 554725715 /nfs/dbraw/zinc/72/57/15/554725715.db2.gz BNRQZUVBMXLJIY-UHFFFAOYSA-N 0 0 608.673 2.426 50 0 KEAARN COc1ccc(CNC(=O)CCn2c(=O)c3sccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)cc1 ZINC000101318868 554726243 /nfs/dbraw/zinc/72/62/43/554726243.db2.gz LFMWSLBVNVFQFO-UHFFFAOYSA-N 0 0 531.594 2.304 50 0 KEAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC[C@@H]2CCCO2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000101318931 554726228 /nfs/dbraw/zinc/72/62/28/554726228.db2.gz KJGAOWPKHBVNPE-IBGZPJMESA-N 0 0 556.641 2.125 50 0 KEAARN O=C(CCCCCn1c(=O)c2sccc2n(CC(=O)NC[C@H]2CCCO2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000101318934 554726425 /nfs/dbraw/zinc/72/64/25/554726425.db2.gz KJGAOWPKHBVNPE-LJQANCHMSA-N 0 0 556.641 2.125 50 0 KEAARN COc1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)cc1 ZINC000101319255 554726913 /nfs/dbraw/zinc/72/69/13/554726913.db2.gz OUCQKQUYRNVXEZ-UHFFFAOYSA-N 0 0 552.609 2.248 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000101319333 554726943 /nfs/dbraw/zinc/72/69/43/554726943.db2.gz OXVHWORFIZJTRA-UHFFFAOYSA-N 0 0 534.594 2.399 50 0 KEAARN COc1cccc(NC(=O)Cn2c3ccsc3c(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)c1 ZINC000101319408 554727221 /nfs/dbraw/zinc/72/72/21/554727221.db2.gz HAKHIOIREIHPBD-UHFFFAOYSA-N 0 0 552.609 2.248 50 0 KEAARN Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccc4c(c3)OCO4)c2=O)n[nH]1 ZINC000101329624 554730258 /nfs/dbraw/zinc/73/02/58/554730258.db2.gz MHQDGMCHWFJPPH-UHFFFAOYSA-N 0 0 532.557 2.049 50 0 KEAARN O=C(CCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000101329788 554730503 /nfs/dbraw/zinc/73/05/03/554730503.db2.gz AXZDXEIOJZEWNO-UHFFFAOYSA-N 0 0 583.645 2.337 50 0 KEAARN Cc1cccc2nc(Cn3c4ccccc4c(=O)n(CCCC(=O)NCc4ccc5c(c4)OCO5)c3=O)cc(=O)n12 ZINC000101329792 554730467 /nfs/dbraw/zinc/73/04/67/554730467.db2.gz QYLKGIURQQGHKZ-UHFFFAOYSA-N 0 0 553.575 2.353 50 0 KEAARN COc1ccccc1CNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O ZINC000101329949 554730594 /nfs/dbraw/zinc/73/05/94/554730594.db2.gz AXJATQFTTFRPSC-UHFFFAOYSA-N 0 0 555.635 2.227 50 0 KEAARN COC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NCCc2ccc(OC)c(OC)c2)c1=O ZINC000101330048 554730684 /nfs/dbraw/zinc/73/06/84/554730684.db2.gz TUJSGMLADLNGJD-UHFFFAOYSA-N 0 0 588.617 2.355 50 0 KEAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1OC ZINC000101330073 554730861 /nfs/dbraw/zinc/73/08/61/554730861.db2.gz OBKGBNGCJRMRDX-UHFFFAOYSA-N 0 0 548.596 2.229 50 0 KEAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1OC ZINC000101330080 554730870 /nfs/dbraw/zinc/73/08/70/554730870.db2.gz HOKLNPRMKITCNA-UHFFFAOYSA-N 0 0 569.618 2.376 50 0 KEAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)NC[C@@H]4CCCO4)c3=O)cc2)cc1OC ZINC000101330200 554731054 /nfs/dbraw/zinc/73/10/54/554731054.db2.gz FVTRZDPPMQVMHL-VWLOTQADSA-N 0 0 600.672 2.496 50 0 KEAARN COc1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4ccccc4n(CC(=O)NC[C@H]4CCCO4)c3=O)cc2)cc1OC ZINC000101330201 554730990 /nfs/dbraw/zinc/73/09/90/554730990.db2.gz FVTRZDPPMQVMHL-RUZDIDTESA-N 0 0 600.672 2.496 50 0 KEAARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1OC ZINC000101330256 554730984 /nfs/dbraw/zinc/73/09/84/554730984.db2.gz MHDSMYXXEITWFO-QFIPXVFZSA-N 0 0 566.655 2.005 50 0 KEAARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1OC ZINC000101330259 554731014 /nfs/dbraw/zinc/73/10/14/554731014.db2.gz MHDSMYXXEITWFO-JOCHJYFZSA-N 0 0 566.655 2.005 50 0 KEAARN COCCCNC(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NCc3ccccc3OC)cc2)c1=O ZINC000101331186 554731766 /nfs/dbraw/zinc/73/17/66/554731766.db2.gz QITKIRPAFJYPDA-UHFFFAOYSA-N 0 0 544.608 2.303 50 0 KEAARN COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000101331657 554732591 /nfs/dbraw/zinc/73/25/91/554732591.db2.gz HRUCDXRBVSEIMY-UHFFFAOYSA-N 0 0 558.591 2.388 50 0 KEAARN O=C(CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O)NCCc1ccccc1 ZINC000101331849 554732807 /nfs/dbraw/zinc/73/28/07/554732807.db2.gz ZHMPMJPSYUTYQG-UHFFFAOYSA-N 0 0 528.565 2.322 50 0 KEAARN COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1Cl ZINC000101332177 554733232 /nfs/dbraw/zinc/73/32/32/554733232.db2.gz MUHFMCWPCQBNHD-UHFFFAOYSA-N 0 0 526.933 2.382 50 0 KEAARN CCOC(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(=O)NCCc3ccccc3)c2=O)cc1 ZINC000101332472 554733428 /nfs/dbraw/zinc/73/34/28/554733428.db2.gz LCRZKZJQQOXOTJ-UHFFFAOYSA-N 0 0 528.565 2.338 50 0 KEAARN O=C(NCCc1ccccc1)c1ccc2c(c1)n(Cc1cc(=O)n3ccccc3n1)c(=O)n(C[C@@H]1CCCO1)c2=O ZINC000101332736 554733703 /nfs/dbraw/zinc/73/37/03/554733703.db2.gz JAORGRXYRFGCNW-DEOSSOPVSA-N 0 0 551.603 2.371 50 0 KEAARN O=C(NCCc1ccccc1)c1ccc2c(c1)n(Cc1cc(=O)n3ccccc3n1)c(=O)n(C[C@H]1CCCO1)c2=O ZINC000101332740 554733693 /nfs/dbraw/zinc/73/36/93/554733693.db2.gz JAORGRXYRFGCNW-XMMPIXPASA-N 0 0 551.603 2.371 50 0 KEAARN COc1ccc(CNC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1OC ZINC000101354056 554739173 /nfs/dbraw/zinc/73/91/73/554739173.db2.gz PCHRLGWAIXTXIV-UHFFFAOYSA-N 0 0 534.569 2.302 50 0 KEAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O)NC1CCCC1 ZINC000101354063 554739172 /nfs/dbraw/zinc/73/91/72/554739172.db2.gz ZNMJMBRUVGRNPA-UHFFFAOYSA-N 0 0 547.587 2.456 50 0 KEAARN O=C(Cn1c(=O)c2oc3ccccc3c2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O)NC1CCCC1 ZINC000101354065 554739161 /nfs/dbraw/zinc/73/91/61/554739161.db2.gz DXJWRBVZEUQXFU-UHFFFAOYSA-N 0 0 547.587 2.456 50 0 KEAARN COc1cccc(CNC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c1OC ZINC000101354066 554739159 /nfs/dbraw/zinc/73/91/59/554739159.db2.gz XKZUDZHDUZUZKN-UHFFFAOYSA-N 0 0 534.569 2.302 50 0 KEAARN COc1ccccc1N1CCN(C(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)CC1 ZINC000101354088 554739176 /nfs/dbraw/zinc/73/91/76/554739176.db2.gz IXQGADFJDHFSJA-UHFFFAOYSA-N 0 0 559.623 2.326 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1OC ZINC000101354095 554739174 /nfs/dbraw/zinc/73/91/74/554739174.db2.gz FKMAHLALKVQTOE-UHFFFAOYSA-N 0 0 548.596 2.344 50 0 KEAARN COC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000101357953 554741054 /nfs/dbraw/zinc/74/10/54/554741054.db2.gz AXFFJYHLEIHFCU-ZEQRLZLVSA-N 0 0 629.671 2.122 50 0 KEAARN COC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000101357957 554741102 /nfs/dbraw/zinc/74/11/02/554741102.db2.gz AXFFJYHLEIHFCU-BJKOFHAPSA-N 0 0 629.671 2.122 50 0 KEAARN CN(CCCN1c2ccccc2CCc2ccccc21)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000101362198 554743286 /nfs/dbraw/zinc/74/32/86/554743286.db2.gz OFUODXVCBTZQDG-ZYWWQZICSA-N 0 0 516.602 2.201 50 0 KEAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000101363591 554743521 /nfs/dbraw/zinc/74/35/21/554743521.db2.gz SRJHDJSIWCMJSQ-LDLUVENISA-N 0 0 617.692 2.143 50 0 KEAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000101363594 554743529 /nfs/dbraw/zinc/74/35/29/554743529.db2.gz SRJHDJSIWCMJSQ-LBEKAKSKSA-N 0 0 617.692 2.143 50 0 KEAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000101363596 554743550 /nfs/dbraw/zinc/74/35/50/554743550.db2.gz SRJHDJSIWCMJSQ-RBSBEOHCSA-N 0 0 617.692 2.143 50 0 KEAARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000101363597 554743512 /nfs/dbraw/zinc/74/35/12/554743512.db2.gz SRJHDJSIWCMJSQ-YRVHBCJASA-N 0 0 617.692 2.143 50 0 KEAARN COc1ccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)N4CCN(c5ccccn5)CC4)c3N)cc2)cc1 ZINC000101377174 554746636 /nfs/dbraw/zinc/74/66/36/554746636.db2.gz CQLMUSSGDIKEKM-UHFFFAOYSA-N 0 0 534.602 2.016 50 0 KEAARN COc1ccc(NC(=O)Cn2c3cc(=O)n(N4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1 ZINC000101378132 554747329 /nfs/dbraw/zinc/74/73/29/554747329.db2.gz JFCUDNAZGLPUGQ-UHFFFAOYSA-N 0 0 576.635 2.496 50 0 KEAARN COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000101385777 554750234 /nfs/dbraw/zinc/75/02/34/554750234.db2.gz HUYJFTBNQZWNEY-HSZRJFAPSA-N 0 0 548.669 2.270 50 0 KEAARN COCCCNC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)N3CCN(c4ccccc4)CC3)C(=O)N21 ZINC000101385783 554750215 /nfs/dbraw/zinc/75/02/15/554750215.db2.gz HUYJFTBNQZWNEY-QHCPKHFHSA-N 0 0 548.669 2.270 50 0 KEAARN O=C(NCCN1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000101403161 554760659 /nfs/dbraw/zinc/76/06/59/554760659.db2.gz KTCJRFPTKJTWLI-UHFFFAOYSA-N 0 0 532.667 2.170 50 0 KEAARN Cc1c(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000101406426 554761657 /nfs/dbraw/zinc/76/16/57/554761657.db2.gz RABDPODASIDYPJ-UHFFFAOYSA-N 0 0 548.463 2.192 50 0 KEAARN O=C(CSc1nc2ccccc2nc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000101408320 554763177 /nfs/dbraw/zinc/76/31/77/554763177.db2.gz PKGSWFZVTNUJSF-UHFFFAOYSA-N 0 0 531.635 2.231 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101415907 554764878 /nfs/dbraw/zinc/76/48/78/554764878.db2.gz FWUNJEFXOAPOHH-UHFFFAOYSA-N 0 0 540.642 2.013 50 0 KEAARN CCn1cc(C(=O)NCCCN2CCOCC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101418324 554766677 /nfs/dbraw/zinc/76/66/77/554766677.db2.gz GNLJSQHRPQZHBK-UHFFFAOYSA-N 0 0 538.670 2.221 50 0 KEAARN COc1ccc(CN2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCC(C)CC5)cc43)CC2)c(OC)c1OC ZINC000101424306 554768033 /nfs/dbraw/zinc/76/80/33/554768033.db2.gz FHZOIMIBTCFJOH-UHFFFAOYSA-N 0 0 616.737 2.203 50 0 KEAARN COc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc32)cc1OC ZINC000101425047 554768292 /nfs/dbraw/zinc/76/82/92/554768292.db2.gz NRSYENWVWFGGGK-KDURUIRLSA-N 0 0 545.658 2.455 50 0 KEAARN COc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc32)cc1OC ZINC000101425051 554768252 /nfs/dbraw/zinc/76/82/52/554768252.db2.gz NRSYENWVWFGGGK-OALUTQOASA-N 0 0 545.658 2.455 50 0 KEAARN COc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc32)cc1OC ZINC000101425055 554768266 /nfs/dbraw/zinc/76/82/66/554768266.db2.gz NRSYENWVWFGGGK-RTBURBONSA-N 0 0 545.658 2.455 50 0 KEAARN COc1ccc(OC)c(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc32)c1 ZINC000101425519 554768551 /nfs/dbraw/zinc/76/85/51/554768551.db2.gz FOSZYNIIEJXISC-KDURUIRLSA-N 0 0 545.658 2.455 50 0 KEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCN4CCN(c5ccccc5)CC4)[nH]c3c2cc1OC ZINC000101425522 554768454 /nfs/dbraw/zinc/76/84/54/554768454.db2.gz DJUXHZLBJVQACD-HXUWFJFHSA-N 0 0 536.658 2.090 50 0 KEAARN COc1ccc(OC)c(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc32)c1 ZINC000101425524 554768435 /nfs/dbraw/zinc/76/84/35/554768435.db2.gz FOSZYNIIEJXISC-OALUTQOASA-N 0 0 545.658 2.455 50 0 KEAARN COc1cc2nc(=S)n3c(O)c(CCC(=O)NCCN4CCN(c5ccccc5)CC4)[nH]c3c2cc1OC ZINC000101425526 554768519 /nfs/dbraw/zinc/76/85/19/554768519.db2.gz DJUXHZLBJVQACD-FQEVSTJZSA-N 0 0 536.658 2.090 50 0 KEAARN COc1ccc(OC)c(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc32)c1 ZINC000101425528 554768554 /nfs/dbraw/zinc/76/85/54/554768554.db2.gz FOSZYNIIEJXISC-RTBURBONSA-N 0 0 545.658 2.455 50 0 KEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(Cc4ccccc4)CC2)C(=O)CO3)C1 ZINC000101425831 554768431 /nfs/dbraw/zinc/76/84/31/554768431.db2.gz RWCSVJWHCFXSSF-SZPZYZBQSA-N 0 0 540.686 2.423 50 0 KEAARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(Cc4ccccc4)CC2)C(=O)CO3)C1 ZINC000101425833 554768463 /nfs/dbraw/zinc/76/84/63/554768463.db2.gz RWCSVJWHCFXSSF-VXKWHMMOSA-N 0 0 540.686 2.423 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(Cc4ccccc4)CC2)C(=O)CO3)C1 ZINC000101425836 554768441 /nfs/dbraw/zinc/76/84/41/554768441.db2.gz RWCSVJWHCFXSSF-FGZHOGPDSA-N 0 0 540.686 2.423 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000101427842 554769188 /nfs/dbraw/zinc/76/91/88/554769188.db2.gz SJZLGFPAKQXHSI-RUZDIDTESA-N 0 0 538.601 2.421 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000101427845 554769201 /nfs/dbraw/zinc/76/92/01/554769201.db2.gz SJZLGFPAKQXHSI-VWLOTQADSA-N 0 0 538.601 2.421 50 0 KEAARN O=C([C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000101430352 554770337 /nfs/dbraw/zinc/77/03/37/554770337.db2.gz WKBKRANXJRJGTM-XMMPIXPASA-N 0 0 549.634 2.151 50 0 KEAARN O=C([C@@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000101430357 554770435 /nfs/dbraw/zinc/77/04/35/554770435.db2.gz WKBKRANXJRJGTM-DEOSSOPVSA-N 0 0 549.634 2.151 50 0 KEAARN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000101430361 554770416 /nfs/dbraw/zinc/77/04/16/554770416.db2.gz PTSOLQKNXWCBHS-JOCHJYFZSA-N 0 0 563.661 2.021 50 0 KEAARN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000101430367 554770366 /nfs/dbraw/zinc/77/03/66/554770366.db2.gz PTSOLQKNXWCBHS-QFIPXVFZSA-N 0 0 563.661 2.021 50 0 KEAARN Cc1cc(NC(=O)Cn2c3cc(C(=O)NCCc4ccccc4)ccc3c(=O)n(Cc3ccco3)c2=O)n[nH]1 ZINC000101432952 554771468 /nfs/dbraw/zinc/77/14/68/554771468.db2.gz RCXRBKAACPUJQQ-UHFFFAOYSA-N 0 0 526.553 2.447 50 0 KEAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)CC1 ZINC000101439774 554772477 /nfs/dbraw/zinc/77/24/77/554772477.db2.gz WVSJASIJJLMYQP-UHFFFAOYSA-N 0 0 529.519 2.382 50 0 KEAARN CC(=O)N1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)CC1 ZINC000101439816 554772493 /nfs/dbraw/zinc/77/24/93/554772493.db2.gz DNMMDVDRIZOPPT-UHFFFAOYSA-N 0 0 535.910 2.419 50 0 KEAARN CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCN1CCN(c3cccc(Cl)c3)CC1)cn2C ZINC000101446066 554774051 /nfs/dbraw/zinc/77/40/51/554774051.db2.gz BVPZASVNNOWTGM-UHFFFAOYSA-N 0 0 546.093 2.384 50 0 KEAARN CC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3Cc2cc(=O)n3ccccc3n2)C1 ZINC000101452890 554775807 /nfs/dbraw/zinc/77/58/07/554775807.db2.gz WPYFVXDELDJGNG-UHFFFAOYSA-N 0 0 527.606 2.428 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000101464132 554779862 /nfs/dbraw/zinc/77/98/62/554779862.db2.gz LWMAAAYQNXZTOO-IDISGSTGSA-N 0 0 592.630 2.020 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000101464135 554779856 /nfs/dbraw/zinc/77/98/56/554779856.db2.gz LWMAAAYQNXZTOO-KDYSTLNUSA-N 0 0 592.630 2.020 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000101464138 554779835 /nfs/dbraw/zinc/77/98/35/554779835.db2.gz LWMAAAYQNXZTOO-ZBLYBZFDSA-N 0 0 592.630 2.020 50 0 KEAARN O=C(CN1C(=O)c2ccccc2S1(=O)=O)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000101464141 554779871 /nfs/dbraw/zinc/77/98/71/554779871.db2.gz LWMAAAYQNXZTOO-JIPXPUAJSA-N 0 0 592.630 2.020 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)NC[C@@H]2CCCO2)C1 ZINC000101504564 554789441 /nfs/dbraw/zinc/78/94/41/554789441.db2.gz YKIALMRCIIELDL-KRWDZBQOSA-N 0 0 530.578 2.163 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)NC[C@H]2CCCO2)C1 ZINC000101504566 554789443 /nfs/dbraw/zinc/78/94/43/554789443.db2.gz YKIALMRCIIELDL-QGZVFWFLSA-N 0 0 530.578 2.163 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)NC[C@@H]2CCCO2)C1 ZINC000101504693 554789454 /nfs/dbraw/zinc/78/94/54/554789454.db2.gz RBLAXEQOPVRWSI-IBGZPJMESA-N 0 0 540.642 2.277 50 0 KEAARN CCOC(=O)N1CCc2c(sc3c2c(=O)n(CCc2ccccc2)c(=O)n3CC(=O)NC[C@H]2CCCO2)C1 ZINC000101504694 554789445 /nfs/dbraw/zinc/78/94/45/554789445.db2.gz RBLAXEQOPVRWSI-LJQANCHMSA-N 0 0 540.642 2.277 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCC2)CN3c2ccccc2)cc1 ZINC000101510041 554792247 /nfs/dbraw/zinc/79/22/47/554792247.db2.gz WWJVTEPYOVXCRH-UHFFFAOYSA-N 0 0 539.658 2.097 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1 ZINC000101510845 554792565 /nfs/dbraw/zinc/79/25/65/554792565.db2.gz HAGPZKOWAVRCJU-UHFFFAOYSA-N 0 0 542.618 2.422 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1 ZINC000101510847 554792512 /nfs/dbraw/zinc/79/25/12/554792512.db2.gz RGWLOTCCAKDRQP-UHFFFAOYSA-N 0 0 530.657 2.344 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1 ZINC000101510851 554792525 /nfs/dbraw/zinc/79/25/25/554792525.db2.gz PFHNBGQRKAGXEG-UHFFFAOYSA-N 0 0 542.618 2.422 50 0 KEAARN CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn43)CC2)s1 ZINC000101551750 554796405 /nfs/dbraw/zinc/79/64/05/554796405.db2.gz VFNKOXIVPYYIMU-UHFFFAOYSA-N 0 0 526.648 2.258 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cccc(C(C)=O)c3)c2=O)cc1 ZINC000101616360 554806129 /nfs/dbraw/zinc/80/61/29/554806129.db2.gz JEIFHDQHFUXOMN-UHFFFAOYSA-N 0 0 544.564 2.430 50 0 KEAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)CC3)CC2)cc1 ZINC000101621808 554809551 /nfs/dbraw/zinc/80/95/51/554809551.db2.gz ORZRBUAJZHEPLQ-UHFFFAOYSA-N 0 0 540.642 2.278 50 0 KEAARN CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)C3)CC2)cc1 ZINC000101621819 554809608 /nfs/dbraw/zinc/80/96/08/554809608.db2.gz WRWQXCIDZZYAIM-NRFANRHFSA-N 0 0 540.642 2.278 50 0 KEAARN CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)CO5)C3)CC2)cc1 ZINC000101621821 554809612 /nfs/dbraw/zinc/80/96/12/554809612.db2.gz WRWQXCIDZZYAIM-OAQYLSRUSA-N 0 0 540.642 2.278 50 0 KEAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)CC1 ZINC000101623773 554811024 /nfs/dbraw/zinc/81/10/24/554811024.db2.gz JUWAGOVBSPYWHK-UHFFFAOYSA-N 0 0 549.049 2.429 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(C(C)=O)cc3)c2=O)cc1 ZINC000101624311 554810989 /nfs/dbraw/zinc/81/09/89/554810989.db2.gz MWVGRBGXMYPYHZ-UHFFFAOYSA-N 0 0 544.564 2.430 50 0 KEAARN COC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(C)cc4)n3n2)cc1 ZINC000101626555 554811195 /nfs/dbraw/zinc/81/11/95/554811195.db2.gz MCTFAHRVHJPNKG-UHFFFAOYSA-N 0 0 540.627 2.471 50 0 KEAARN COc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)c(OC)c1 ZINC000101626599 554811152 /nfs/dbraw/zinc/81/11/52/554811152.db2.gz IPEMHDJSVNBAIH-UHFFFAOYSA-N 0 0 528.616 2.393 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(OC)cc4OC)nn32)cc1 ZINC000101626615 554811157 /nfs/dbraw/zinc/81/11/57/554811157.db2.gz KMEYCLMBZIFGNL-UHFFFAOYSA-N 0 0 558.642 2.402 50 0 KEAARN COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)c1 ZINC000101626645 554811307 /nfs/dbraw/zinc/81/13/07/554811307.db2.gz XMBVOKXATKDQNN-UHFFFAOYSA-N 0 0 528.616 2.393 50 0 KEAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCO5)nn32)cc1 ZINC000101626785 554811163 /nfs/dbraw/zinc/81/11/63/554811163.db2.gz UNEAPLCMQYZUPF-UHFFFAOYSA-N 0 0 526.600 2.413 50 0 KEAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nn32)cc1 ZINC000101626836 554811189 /nfs/dbraw/zinc/81/11/89/554811189.db2.gz HZHPDMLUKHZNMO-UHFFFAOYSA-N 0 0 540.627 2.456 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccc(F)cc4)nn32)cc1 ZINC000101626884 554811130 /nfs/dbraw/zinc/81/11/30/554811130.db2.gz IEOWWEGGRMBAHQ-UHFFFAOYSA-N 0 0 530.607 2.202 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc(OC)c4)nn32)cc1 ZINC000101627146 554811124 /nfs/dbraw/zinc/81/11/24/554811124.db2.gz OSOGXAKGKLKQAO-UHFFFAOYSA-N 0 0 528.616 2.393 50 0 KEAARN O=C(NN1C(=O)c2ccccc2C1=O)c1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000101633347 554812142 /nfs/dbraw/zinc/81/21/42/554812142.db2.gz LSRDYZQFTAMVIJ-UHFFFAOYSA-N 0 0 599.515 2.369 50 0 KEAARN COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCn2ccnc2)cc(OC)c1OC ZINC000101635145 554812673 /nfs/dbraw/zinc/81/26/73/554812673.db2.gz CLRZDXDWUHVWOR-HAHDFKILSA-N 0 0 610.693 2.496 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4)CC3)nn2)c1 ZINC000101640781 554814413 /nfs/dbraw/zinc/81/44/13/554814413.db2.gz PXMKSVLHCLNLRN-UHFFFAOYSA-N 0 0 544.656 2.275 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc(F)cc4)CC3)nn2)c1 ZINC000101640808 554814457 /nfs/dbraw/zinc/81/44/57/554814457.db2.gz NVGDVQXVZTZCNW-UHFFFAOYSA-N 0 0 562.646 2.415 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4cccs4)CC3)nn2)c1 ZINC000101640814 554814442 /nfs/dbraw/zinc/81/44/42/554814442.db2.gz SPGBBDDWWGGRKN-UHFFFAOYSA-N 0 0 550.685 2.337 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccccc4F)CC3)nn2)c1 ZINC000101640883 554814449 /nfs/dbraw/zinc/81/44/49/554814449.db2.gz RQGYWGZZMVAIQC-UHFFFAOYSA-N 0 0 562.646 2.415 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4cccc(F)c4)CC3)nn2)c1 ZINC000101640912 554814472 /nfs/dbraw/zinc/81/44/72/554814472.db2.gz NTUXSURKWXOJCA-UHFFFAOYSA-N 0 0 562.646 2.415 50 0 KEAARN COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCN(c3ccc(-c4ccccc4)nn3)CC2)c1 ZINC000101641395 554814468 /nfs/dbraw/zinc/81/44/68/554814468.db2.gz RLCWXKXHOSXOKQ-UHFFFAOYSA-N 0 0 544.656 2.275 50 0 KEAARN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000101691028 554830706 /nfs/dbraw/zinc/83/07/06/554830706.db2.gz KIDBKIBEGPXVNZ-UHFFFAOYSA-N 0 0 555.072 2.451 50 0 KEAARN COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1N1CCN(C(=O)c2cc(F)ccc2Cl)CC1 ZINC000101691036 554830803 /nfs/dbraw/zinc/83/08/03/554830803.db2.gz ZAWJRYIAKVMZSF-UHFFFAOYSA-N 0 0 555.072 2.451 50 0 KEAARN CC(C)(NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000101772308 554837608 /nfs/dbraw/zinc/83/76/08/554837608.db2.gz SYQAGBDBMSEQAC-MYKRZTLLSA-N 0 0 599.688 2.178 50 0 KEAARN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1 ZINC000101813039 554840028 /nfs/dbraw/zinc/84/00/28/554840028.db2.gz PGJCOEJMNUARCI-CRJMXQGDSA-N 0 0 516.550 2.173 50 0 KEAARN CC(C)C(=O)O[C@@H]1[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000101898252 554847141 /nfs/dbraw/zinc/84/71/41/554847141.db2.gz POYLUMRXMKSMJK-FCHSSTLOSA-N 0 0 530.611 2.200 50 0 KEAARN COc1ccc(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000101926398 554851835 /nfs/dbraw/zinc/85/18/35/554851835.db2.gz SOAYYDUFICWSIT-POYMRFPPSA-N 0 0 588.566 2.008 50 0 KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2c3CCCC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101969377 554854826 /nfs/dbraw/zinc/85/48/26/554854826.db2.gz BNGZCOVORSGMMU-ZANOAUCBSA-N 0 0 546.525 2.134 50 0 KEAARN CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)cc12 ZINC000101969383 554854704 /nfs/dbraw/zinc/85/47/04/554854704.db2.gz HYVXPHGGLPRFAX-PRDVQWLOSA-N 0 0 554.932 2.471 50 0 KEAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101969394 554855080 /nfs/dbraw/zinc/85/50/80/554855080.db2.gz XZVTYSMAGDMFFS-HOZVGSINSA-N 0 0 560.552 2.442 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@@H]1c1cnn(C)c1C ZINC000102001978 554866167 /nfs/dbraw/zinc/86/61/67/554866167.db2.gz TUDBPIPZZMQEMA-QJKHOBJASA-N 0 0 534.379 2.055 50 0 KEAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)cc3)c(=O)n2[C@H]1c1cnn(C)c1C ZINC000102001983 554866211 /nfs/dbraw/zinc/86/62/11/554866211.db2.gz TUDBPIPZZMQEMA-WBNHJWIASA-N 0 0 534.379 2.055 50 0 KEAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccc5c(c4)OCO5)nn32)cc1 ZINC000102002827 554866364 /nfs/dbraw/zinc/86/63/64/554866364.db2.gz RGGUHUYAPAALOA-UHFFFAOYSA-N 0 0 540.627 2.091 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCO5)nn32)cc1 ZINC000102002953 554866355 /nfs/dbraw/zinc/86/63/55/554866355.db2.gz OIGYFJWZSVMNNV-UHFFFAOYSA-N 0 0 542.599 2.113 50 0 KEAARN COc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc5c(c4)OCCO5)nn32)cc1 ZINC000102002958 554866372 /nfs/dbraw/zinc/86/63/72/554866372.db2.gz KQRBKRCGWGCVCE-UHFFFAOYSA-N 0 0 556.626 2.156 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1cccc(OC)c1 ZINC000102034994 554869134 /nfs/dbraw/zinc/86/91/34/554869134.db2.gz IIIRGVWGTNJNMQ-DEOSSOPVSA-N 0 0 530.647 2.298 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1cccc(OC)c1 ZINC000102034998 554869139 /nfs/dbraw/zinc/86/91/39/554869139.db2.gz IIIRGVWGTNJNMQ-XMMPIXPASA-N 0 0 530.647 2.298 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccccc1OC ZINC000102042436 554869743 /nfs/dbraw/zinc/86/97/43/554869743.db2.gz UTQNPAWZLYQXNV-DEOSSOPVSA-N 0 0 530.647 2.298 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccccc1OC ZINC000102042439 554869724 /nfs/dbraw/zinc/86/97/24/554869724.db2.gz UTQNPAWZLYQXNV-XMMPIXPASA-N 0 0 530.647 2.298 50 0 KEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCN4CCN(c5ccccc5F)CC4)CC3)cc2C[C@H]1C ZINC000102050545 554870771 /nfs/dbraw/zinc/87/07/71/554870771.db2.gz SHKQHMGXSKIASE-OAQYLSRUSA-N 0 0 571.719 2.462 50 0 KEAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)NCCN4CCN(c5ccccc5F)CC4)CC3)cc2C[C@@H]1C ZINC000102050550 554870775 /nfs/dbraw/zinc/87/07/75/554870775.db2.gz SHKQHMGXSKIASE-NRFANRHFSA-N 0 0 571.719 2.462 50 0 KEAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(CC3=CC[C@H]4C[C@@H]3C4(C)C)C2)c1C(=O)OC ZINC000102069326 554873556 /nfs/dbraw/zinc/87/35/56/554873556.db2.gz DKCSDIFVPFVLQH-ZULIPRJHSA-N 0 0 511.579 2.369 50 0 KEAARN O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)no1)N1CCCCC1 ZINC000102088540 554876984 /nfs/dbraw/zinc/87/69/84/554876984.db2.gz HUVPXVHWEMEIRP-UHFFFAOYSA-N 0 0 532.486 2.345 50 0 KEAARN COc1ccc(CCNC(=O)Cn2c3cc4c(cc3c(=O)n(Cc3nc(-c5ccccc5)no3)c2=O)OCO4)cc1OC ZINC000102089463 554877496 /nfs/dbraw/zinc/87/74/96/554877496.db2.gz TYUCHSBSQQKCNT-UHFFFAOYSA-N 0 0 585.573 2.366 50 0 KEAARN COc1cc(CNC(=O)c2cc3n(n2)C[C@@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc(OC)c1OC ZINC000102096425 554879387 /nfs/dbraw/zinc/87/93/87/554879387.db2.gz QGBHJFHGQGKQQV-NDEPHWFRSA-N 0 0 535.601 2.308 50 0 KEAARN COc1cc(CNC(=O)c2cc3n(n2)C[C@](C)(C(=O)NCc2ccc(C)cc2)N(C)C3=O)cc(OC)c1OC ZINC000102096431 554879379 /nfs/dbraw/zinc/87/93/79/554879379.db2.gz QGBHJFHGQGKQQV-MUUNZHRXSA-N 0 0 535.601 2.308 50 0 KEAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)N(Cc3ccc(OC)cc3)C2)c1C(=O)OC ZINC000102100552 554881486 /nfs/dbraw/zinc/88/14/86/554881486.db2.gz KJYGTIBXQDFISE-UNMCSNQZSA-N 0 0 535.557 2.344 50 0 KEAARN O=C(Cn1cc(I)c(=O)c(I)c1)OCC(=O)N1CCc2ccccc21 ZINC000102172706 554891752 /nfs/dbraw/zinc/89/17/52/554891752.db2.gz PTVOHBLDNDGGLB-UHFFFAOYSA-N 0 0 564.117 2.190 50 0 KEAARN O=C(Cn1cc(I)c(=O)c(I)c1)OCC(=O)N1CCc2ccccc2C1 ZINC000102176917 554892752 /nfs/dbraw/zinc/89/27/52/554892752.db2.gz FMLBGXXWWANAIM-UHFFFAOYSA-N 0 0 578.144 2.186 50 0 KEAARN O=C(Cn1cc(I)c(=O)c(I)c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000102210384 554896517 /nfs/dbraw/zinc/89/65/17/554896517.db2.gz SFGMJPJVDQRQGV-UHFFFAOYSA-N 0 0 565.149 2.112 50 0 KEAARN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)C2)CC1 ZINC000102216539 554898476 /nfs/dbraw/zinc/89/84/76/554898476.db2.gz WFDMJRDEYJLQMC-QGZVFWFLSA-N 0 0 549.049 2.429 50 0 KEAARN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)C2)CC1 ZINC000102216544 554898492 /nfs/dbraw/zinc/89/84/92/554898492.db2.gz WFDMJRDEYJLQMC-KRWDZBQOSA-N 0 0 549.049 2.429 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)C3)CC2)c1 ZINC000102216551 554898429 /nfs/dbraw/zinc/89/84/29/554898429.db2.gz RPNVKBXJPBCXCG-QGZVFWFLSA-N 0 0 549.049 2.429 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)C3)CC2)c1 ZINC000102216555 554898497 /nfs/dbraw/zinc/89/84/97/554898497.db2.gz RPNVKBXJPBCXCG-KRWDZBQOSA-N 0 0 549.049 2.429 50 0 KEAARN COc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc5c(cc4Cl)NC(=O)CO5)CC3)CC2)c1 ZINC000102216845 554898486 /nfs/dbraw/zinc/89/84/86/554898486.db2.gz MGVPKFNVOVSQRI-UHFFFAOYSA-N 0 0 549.049 2.429 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)[C@@H](C)O5)C3)CC2)c1 ZINC000102217182 554898499 /nfs/dbraw/zinc/89/84/99/554898499.db2.gz BQBJFFRVPNQFML-UXHICEINSA-N 0 0 542.658 2.473 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)[C@@H](C)O5)C3)CC2)c1 ZINC000102217187 554898500 /nfs/dbraw/zinc/89/85/00/554898500.db2.gz BQBJFFRVPNQFML-WOJBJXKFSA-N 0 0 542.658 2.473 50 0 KEAARN COc1ccc(C(=O)COC(=O)Cn2cc(I)c(=O)c(I)c2)cc1 ZINC000102218570 554898700 /nfs/dbraw/zinc/89/87/00/554898700.db2.gz NMNZELAONDSERC-UHFFFAOYSA-N 0 0 553.090 2.492 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)NC(=O)N[C@@H]1c1ccco1 ZINC000102220296 554898647 /nfs/dbraw/zinc/89/86/47/554898647.db2.gz RAGWQUBRCQJUTR-OAQYLSRUSA-N 0 0 533.559 2.101 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)NC(=O)N[C@H]1c1ccco1 ZINC000102220299 554898674 /nfs/dbraw/zinc/89/86/74/554898674.db2.gz RAGWQUBRCQJUTR-NRFANRHFSA-N 0 0 533.559 2.101 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000102220432 554898921 /nfs/dbraw/zinc/89/89/21/554898921.db2.gz SBTOKECGSIJXIY-OAQYLSRUSA-N 0 0 529.527 2.379 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000102220436 554898935 /nfs/dbraw/zinc/89/89/35/554898935.db2.gz SBTOKECGSIJXIY-NRFANRHFSA-N 0 0 529.527 2.379 50 0 KEAARN CCOC(=O)C1=C(COC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000102220465 554898966 /nfs/dbraw/zinc/89/89/66/554898966.db2.gz QIUYPJULCGOZEK-DYESRHJHSA-N 0 0 567.642 2.103 50 0 KEAARN CCOC(=O)C1=C(COC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000102220467 554898954 /nfs/dbraw/zinc/89/89/54/554898954.db2.gz QIUYPJULCGOZEK-UTKZUKDTSA-N 0 0 567.642 2.103 50 0 KEAARN CCOC(=O)C1=C(COC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000102220470 554898948 /nfs/dbraw/zinc/89/89/48/554898948.db2.gz QIUYPJULCGOZEK-LAUBAEHRSA-N 0 0 567.642 2.103 50 0 KEAARN CCOC(=O)C1=C(COC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000102220472 554898912 /nfs/dbraw/zinc/89/89/12/554898912.db2.gz QIUYPJULCGOZEK-UWJYYQICSA-N 0 0 567.642 2.103 50 0 KEAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc1)c2=O ZINC000102221519 554899395 /nfs/dbraw/zinc/89/93/95/554899395.db2.gz LVFKKXMLIJOYKW-UHFFFAOYSA-N 0 0 538.607 2.455 50 0 KEAARN COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c1)c2=O ZINC000102221584 554899333 /nfs/dbraw/zinc/89/93/33/554899333.db2.gz BBWRSYLQZOGVEV-UHFFFAOYSA-N 0 0 538.607 2.455 50 0 KEAARN O=S(=O)(c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1)N1CCOCC1 ZINC000102255894 554904551 /nfs/dbraw/zinc/90/45/51/554904551.db2.gz YCKNCTAXGHZYHF-UHFFFAOYSA-N 0 0 545.108 2.064 50 0 KEAARN CC(C)NC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000102296131 554907727 /nfs/dbraw/zinc/90/77/27/554907727.db2.gz JLNDBCPPAJZJHX-QHCPKHFHSA-N 0 0 551.685 2.427 50 0 KEAARN CC(C)NC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000102296136 554907721 /nfs/dbraw/zinc/90/77/21/554907721.db2.gz JLNDBCPPAJZJHX-HSZRJFAPSA-N 0 0 551.685 2.427 50 0 KEAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000102322439 554912165 /nfs/dbraw/zinc/91/21/65/554912165.db2.gz BKIYUCHNBWYLJL-IPVPECPMSA-N 0 0 609.632 2.175 50 0 KEAARN COc1ccccc1-n1c(-c2ccncc2)nn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)c1=S ZINC000102325667 554912280 /nfs/dbraw/zinc/91/22/80/554912280.db2.gz FGJVWRAAWAUALO-CXTGUETESA-N 0 0 613.649 2.302 50 0 KEAARN Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cnn1C(F)F ZINC000102349795 554913582 /nfs/dbraw/zinc/91/35/82/554913582.db2.gz NKKJVYBIEQYEDU-UHFFFAOYSA-N 0 0 521.575 2.225 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)cc1OC ZINC000102349829 554913560 /nfs/dbraw/zinc/91/35/60/554913560.db2.gz FYRZVSOIGHVIHN-UHFFFAOYSA-N 0 0 527.628 2.342 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)sc4n3)CC2)c1 ZINC000102349835 554913563 /nfs/dbraw/zinc/91/35/63/554913563.db2.gz PVIIEMSTSMXWJX-UHFFFAOYSA-N 0 0 527.628 2.342 50 0 KEAARN O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)nc2sc(-c3ccccc3)nn21 ZINC000102349843 554913548 /nfs/dbraw/zinc/91/35/48/554913548.db2.gz YKFQIJGPZNICEM-UHFFFAOYSA-N 0 0 525.641 2.329 50 0 KEAARN Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cnn1C(F)F ZINC000102350176 554913829 /nfs/dbraw/zinc/91/38/29/554913829.db2.gz XXYRPCSHKMMPPH-UHFFFAOYSA-N 0 0 539.565 2.364 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)cc1OC ZINC000102350215 554914038 /nfs/dbraw/zinc/91/40/38/554914038.db2.gz RQUGBARKBLTGCT-UHFFFAOYSA-N 0 0 545.618 2.481 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5F)sc4n3)CC2)c1 ZINC000102350222 554914062 /nfs/dbraw/zinc/91/40/62/554914062.db2.gz ICBDIXNZZALKBV-UHFFFAOYSA-N 0 0 545.618 2.481 50 0 KEAARN O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)nc2sc(-c3ccccc3F)nn21 ZINC000102350233 554914044 /nfs/dbraw/zinc/91/40/44/554914044.db2.gz NGYQFLMKIDTVJY-UHFFFAOYSA-N 0 0 543.631 2.468 50 0 KEAARN Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cnn1C(F)F ZINC000102350265 554914058 /nfs/dbraw/zinc/91/40/58/554914058.db2.gz CYFXMAPVYBOOFB-UHFFFAOYSA-N 0 0 539.565 2.364 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)cc1OC ZINC000102350305 554914056 /nfs/dbraw/zinc/91/40/56/554914056.db2.gz CBVCOYVSZIRAEW-UHFFFAOYSA-N 0 0 545.618 2.481 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(F)c5)sc4n3)CC2)c1 ZINC000102350309 554914061 /nfs/dbraw/zinc/91/40/61/554914061.db2.gz WOYFIAMEQNYWIE-UHFFFAOYSA-N 0 0 545.618 2.481 50 0 KEAARN O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)nc2sc(-c3cccc(F)c3)nn21 ZINC000102350315 554914069 /nfs/dbraw/zinc/91/40/69/554914069.db2.gz YXUBGBZMBIDXTP-UHFFFAOYSA-N 0 0 543.631 2.468 50 0 KEAARN Cc1c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cnn1C(F)F ZINC000102350359 554914035 /nfs/dbraw/zinc/91/40/35/554914035.db2.gz BWNNAAQZBYSVRI-UHFFFAOYSA-N 0 0 527.604 2.286 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)cc1OC ZINC000102350399 554914071 /nfs/dbraw/zinc/91/40/71/554914071.db2.gz YQTUHTPEKHZGJH-UHFFFAOYSA-N 0 0 533.657 2.403 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccs5)sc4n3)CC2)c1 ZINC000102350402 554914074 /nfs/dbraw/zinc/91/40/74/554914074.db2.gz NGEDEFDLHOIEOJ-UHFFFAOYSA-N 0 0 533.657 2.403 50 0 KEAARN O=c1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)nc2sc(-c3cccs3)nn21 ZINC000102350407 554914034 /nfs/dbraw/zinc/91/40/34/554914034.db2.gz DMZXRGITBCJQCO-UHFFFAOYSA-N 0 0 531.670 2.391 50 0 KEAARN COc1ccc(CCNC(=O)Cn2cc(I)c(=O)c(I)c2)cc1 ZINC000102358307 554915657 /nfs/dbraw/zinc/91/56/57/554915657.db2.gz LGCCGTRAKKEHKD-UHFFFAOYSA-N 0 0 538.123 2.425 50 0 KEAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(C)=O)[C@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000102375116 554917824 /nfs/dbraw/zinc/91/78/24/554917824.db2.gz VZDOSINIGYICAZ-DEOSSOPVSA-N 0 0 538.601 2.291 50 0 KEAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(C)=O)[C@@H](c3ccc4c(c3)OCO4)C2)c(OC)c1 ZINC000102375119 554918113 /nfs/dbraw/zinc/91/81/13/554918113.db2.gz VZDOSINIGYICAZ-XMMPIXPASA-N 0 0 538.601 2.291 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000102375122 554918130 /nfs/dbraw/zinc/91/81/30/554918130.db2.gz AMFSYOYQBOKTEF-SANMLTNESA-N 0 0 554.644 2.197 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000102375124 554918061 /nfs/dbraw/zinc/91/80/61/554918061.db2.gz AMFSYOYQBOKTEF-AREMUKBSSA-N 0 0 554.644 2.197 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)cc1 ZINC000102375210 554918123 /nfs/dbraw/zinc/91/81/23/554918123.db2.gz KOCLOOFVKPWKAI-SANMLTNESA-N 0 0 554.644 2.197 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)cc1 ZINC000102375213 554918069 /nfs/dbraw/zinc/91/80/69/554918069.db2.gz KOCLOOFVKPWKAI-AREMUKBSSA-N 0 0 554.644 2.197 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)C1 ZINC000102397819 1066207657 /nfs/dbraw/zinc/20/76/57/1066207657.db2.gz GEUCGFYOYNGWJM-SXOMAYOGSA-N 0 0 548.684 2.170 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)C1 ZINC000102397822 1066207761 /nfs/dbraw/zinc/20/77/61/1066207761.db2.gz GEUCGFYOYNGWJM-KAYWLYCHSA-N 0 0 548.684 2.170 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)C1 ZINC000102397826 1066207648 /nfs/dbraw/zinc/20/76/48/1066207648.db2.gz GEUCGFYOYNGWJM-SVBPBHIXSA-N 0 0 548.684 2.170 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)C1 ZINC000102397829 1066207812 /nfs/dbraw/zinc/20/78/12/1066207812.db2.gz GEUCGFYOYNGWJM-RRPNLBNLSA-N 0 0 548.684 2.170 50 0 KEAARN CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000102399354 1066207662 /nfs/dbraw/zinc/20/76/62/1066207662.db2.gz RKTXISGOZJDCBA-MHZLTWQESA-N 0 0 552.672 2.270 50 0 KEAARN CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000102399357 1066207639 /nfs/dbraw/zinc/20/76/39/1066207639.db2.gz RKTXISGOZJDCBA-HHHXNRCGSA-N 0 0 552.672 2.270 50 0 KEAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000102402295 1066207738 /nfs/dbraw/zinc/20/77/38/1066207738.db2.gz MOJKRSPPZUMZAD-ILBGXUMGSA-N 0 0 561.676 2.100 50 0 KEAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)CCN(C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000102402298 1066207706 /nfs/dbraw/zinc/20/77/06/1066207706.db2.gz MOJKRSPPZUMZAD-NOZRDPDXSA-N 0 0 561.676 2.100 50 0 KEAARN Cc1cc(C(=O)COC(=O)Cn2cc(I)c(=O)c(I)c2)c(C)n1C ZINC000102404025 554920233 /nfs/dbraw/zinc/92/02/33/554920233.db2.gz NLBNEZVPNBYUQY-UHFFFAOYSA-N 0 0 554.122 2.439 50 0 KEAARN COc1ccccc1N1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3cnc2=O)CC1 ZINC000102435146 554927851 /nfs/dbraw/zinc/92/78/51/554927851.db2.gz GXFOESXKSVUQHK-HXUWFJFHSA-N 0 0 539.658 2.317 50 0 KEAARN COc1ccccc1N1CCN(C(=O)Cn2c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3cnc2=O)CC1 ZINC000102435150 554927814 /nfs/dbraw/zinc/92/78/14/554927814.db2.gz GXFOESXKSVUQHK-FQEVSTJZSA-N 0 0 539.658 2.317 50 0 KEAARN Cn1c2ccc(C(=O)Nc3ccc4c(c3)oc3ccc(S(=O)(=O)N5CCOCC5)cc34)cc2c(=O)n(C)c1=O ZINC000102451932 554932554 /nfs/dbraw/zinc/93/25/54/554932554.db2.gz SVCKCQIYHSOBLT-UHFFFAOYSA-N 0 0 548.577 2.410 50 0 KEAARN CCCN1C(=O)c2c(C(=O)N3CCN(c4ccccn4)CC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000102501135 554943080 /nfs/dbraw/zinc/94/30/80/554943080.db2.gz RBJJDXBHXQFBKY-LJAQVGFWSA-N 0 0 545.644 2.190 50 0 KEAARN CCCN1C(=O)c2c(C(=O)N3CCN(c4ccccn4)CC3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000102501142 554943067 /nfs/dbraw/zinc/94/30/67/554943067.db2.gz RBJJDXBHXQFBKY-GDLZYMKVSA-N 0 0 545.644 2.190 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1 ZINC000102523534 554950192 /nfs/dbraw/zinc/95/01/92/554950192.db2.gz HWZWLAZDCSGBMG-UHFFFAOYSA-N 0 0 532.553 2.236 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1 ZINC000102523553 554950215 /nfs/dbraw/zinc/95/02/15/554950215.db2.gz JUXHIQQTUBEHPM-UHFFFAOYSA-N 0 0 532.553 2.236 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1 ZINC000102523590 554950190 /nfs/dbraw/zinc/95/01/90/554950190.db2.gz JEWKEYIKFSEPJI-UHFFFAOYSA-N 0 0 530.581 2.213 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccc(OC)cc3)c2=O)cc1 ZINC000102523601 554950211 /nfs/dbraw/zinc/95/02/11/554950211.db2.gz BJCKWJQHHLDPPI-UHFFFAOYSA-N 0 0 532.553 2.236 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 ZINC000102523664 554950402 /nfs/dbraw/zinc/95/04/02/554950402.db2.gz WFPBZJCWARWSNM-UHFFFAOYSA-N 0 0 534.544 2.044 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCCCc3ccccc3)c2=O)cc1 ZINC000102523678 554950464 /nfs/dbraw/zinc/95/04/64/554950464.db2.gz KWPDNFZLIHPQHW-UHFFFAOYSA-N 0 0 544.608 2.337 50 0 KEAARN CNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C(=O)OC)ccc3OC)c2=O)cc1 ZINC000102523721 554950426 /nfs/dbraw/zinc/95/04/26/554950426.db2.gz AZQZUSSLLNWIQF-UHFFFAOYSA-N 0 0 547.564 2.432 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)N1CCCC1)c(=O)n(Cc1ccc(C(=O)NCc3ccco3)cc1)c2=O ZINC000102523744 554950459 /nfs/dbraw/zinc/95/04/59/554950459.db2.gz VAFJSYALVUYYCO-UHFFFAOYSA-N 0 0 546.580 2.374 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NC(C)C)c(=O)n(Cc1ccc(C(=O)NCc3ccco3)cc1)c2=O ZINC000102523765 554950443 /nfs/dbraw/zinc/95/04/43/554950443.db2.gz WCVMYSNKZVIZKH-UHFFFAOYSA-N 0 0 534.569 2.276 50 0 KEAARN CCCNC(=O)Cn1c2cc(OC)c(OC)cc2c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c1=O ZINC000102523770 554950446 /nfs/dbraw/zinc/95/04/46/554950446.db2.gz UZQHLISIRCLWQY-UHFFFAOYSA-N 0 0 534.569 2.278 50 0 KEAARN CCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000102523836 554950418 /nfs/dbraw/zinc/95/04/18/554950418.db2.gz MXKXCUUZQYJPRQ-UHFFFAOYSA-N 0 0 534.569 2.278 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NCc1ccco1)c(=O)n(Cc1ccc(C(=O)NC(C)C)cc1)c2=O ZINC000102524051 554950944 /nfs/dbraw/zinc/95/09/44/554950944.db2.gz HLGRBVHMBZOSJV-UHFFFAOYSA-N 0 0 534.569 2.276 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NCc1ccco1)c(=O)n(Cc1ccc(C(=O)N3CCCC3)cc1)c2=O ZINC000102524153 554950888 /nfs/dbraw/zinc/95/08/88/554950888.db2.gz CXSRWSFPUPRINP-UHFFFAOYSA-N 0 0 546.580 2.374 50 0 KEAARN COc1cc2c(cc1OC)n(CC(=O)NCc1ccccc1)c(=O)n(Cc1ccc(C(=O)NC3CC3)cc1)c2=O ZINC000102524406 554951148 /nfs/dbraw/zinc/95/11/48/554951148.db2.gz YTZVINOZGIXDKZ-UHFFFAOYSA-N 0 0 542.592 2.437 50 0 KEAARN COCCNC(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1 ZINC000102524622 554951388 /nfs/dbraw/zinc/95/13/88/554951388.db2.gz ZFKNOPXRZULNPB-UHFFFAOYSA-N 0 0 546.580 2.244 50 0 KEAARN COc1cc(OC)c([C@@H](c2c([O-])nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1OC ZINC000102541163 554957386 /nfs/dbraw/zinc/95/73/86/554957386.db2.gz SDLWNZWSRQNPJE-INIZCTEOSA-N 0 0 546.627 2.409 50 0 KEAARN COc1cc(OC)c([C@H](c2c([O-])nc3n(c2=O)CCCS3)c2c(O)nc3n(c2=O)CCCS3)cc1OC ZINC000102541167 554957432 /nfs/dbraw/zinc/95/74/32/554957432.db2.gz SDLWNZWSRQNPJE-MRXNPFEDSA-N 0 0 546.627 2.409 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(CCc1ccc(OC)c(OC)c1)[C@@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000102551035 554961912 /nfs/dbraw/zinc/96/19/12/554961912.db2.gz NIOVJXFNEIZHSL-MUUNZHRXSA-N 0 0 536.585 2.469 50 0 KEAARN COC(=O)c1ncn2c1C(=O)N(CCc1ccc(OC)c(OC)c1)[C@](C)(C(=O)NCc1ccccc1OC)C2 ZINC000102551039 554961854 /nfs/dbraw/zinc/96/18/54/554961854.db2.gz NIOVJXFNEIZHSL-NDEPHWFRSA-N 0 0 536.585 2.469 50 0 KEAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3cccs3)N(Cc3ccc(OC)c(C)c3)C2)c1C(=O)OC ZINC000102629996 1066207774 /nfs/dbraw/zinc/20/77/74/1066207774.db2.gz PIZLIKLXNBJWMO-HKUYNNGSSA-N 0 0 527.603 2.362 50 0 KEAARN Cc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)CN4C(=O)c5ccccc5C4=O)CC3)cc2=O)s1 ZINC000102649175 554994534 /nfs/dbraw/zinc/99/45/34/554994534.db2.gz ATINCWAGTIUJKO-UHFFFAOYSA-N 0 0 528.594 2.067 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000102662757 555001049 /nfs/dbraw/zinc/00/10/49/555001049.db2.gz DQKSRVVLQSCGGB-STLXWTDXSA-N 0 0 530.627 2.418 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccccc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000102662762 555001038 /nfs/dbraw/zinc/00/10/38/555001038.db2.gz DQKSRVVLQSCGGB-NELHNXLGSA-N 0 0 530.627 2.418 50 0 KEAARN COC(=O)c1cc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc(C(=O)OC)c1 ZINC000102687758 555007319 /nfs/dbraw/zinc/00/73/19/555007319.db2.gz SCIDZEHNBSBNEI-UHFFFAOYSA-N 0 0 559.597 2.045 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 ZINC000102693676 555009144 /nfs/dbraw/zinc/00/91/44/555009144.db2.gz DSQBOZQTQXRVMO-VWLOTQADSA-N 0 0 542.608 2.328 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000102693679 555009168 /nfs/dbraw/zinc/00/91/68/555009168.db2.gz DSQBOZQTQXRVMO-RUZDIDTESA-N 0 0 542.608 2.328 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F ZINC000102693801 555009142 /nfs/dbraw/zinc/00/91/42/555009142.db2.gz HTSVPAJZWSNJJI-VWLOTQADSA-N 0 0 542.608 2.328 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F ZINC000102693803 555009123 /nfs/dbraw/zinc/00/91/23/555009123.db2.gz HTSVPAJZWSNJJI-RUZDIDTESA-N 0 0 542.608 2.328 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1cc(OC)ccc1OC ZINC000102694307 555009582 /nfs/dbraw/zinc/00/95/82/555009582.db2.gz SQGHHEAQBRRGER-VWLOTQADSA-N 0 0 542.608 2.328 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1cc(OC)ccc1OC ZINC000102694311 555009525 /nfs/dbraw/zinc/00/95/25/555009525.db2.gz SQGHHEAQBRRGER-RUZDIDTESA-N 0 0 542.608 2.328 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)c2ccccc2)cnc1S(=O)(=O)Cc1cccc(OC)c1 ZINC000102705661 555014330 /nfs/dbraw/zinc/01/43/30/555014330.db2.gz SUUGZOIKHJXXAU-UHFFFAOYSA-N 0 0 556.685 2.487 50 0 KEAARN CCOC(=O)N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)CCN3CCOCC3)c2)CC1 ZINC000102725623 555021540 /nfs/dbraw/zinc/02/15/40/555021540.db2.gz TVJSODDYMOIVGH-NOZRDPDXSA-N 0 0 606.724 2.047 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000102730101 555023189 /nfs/dbraw/zinc/02/31/89/555023189.db2.gz LLBLTLDFJHSDFL-RUZDIDTESA-N 0 0 618.741 2.481 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccccc4)C(=O)N32)cc1 ZINC000102730103 555023303 /nfs/dbraw/zinc/02/33/03/555023303.db2.gz LLBLTLDFJHSDFL-VWLOTQADSA-N 0 0 618.741 2.481 50 0 KEAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000102737505 555026693 /nfs/dbraw/zinc/02/66/93/555026693.db2.gz NNBNGUBQKWNUDZ-GHTZIAJQSA-N 0 0 563.636 2.499 50 0 KEAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000102737507 555026714 /nfs/dbraw/zinc/02/67/14/555026714.db2.gz NNBNGUBQKWNUDZ-RXVVDRJESA-N 0 0 563.636 2.499 50 0 KEAARN O=C(CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000102737509 555026692 /nfs/dbraw/zinc/02/66/92/555026692.db2.gz NNBNGUBQKWNUDZ-WIYYLYMNSA-N 0 0 563.636 2.499 50 0 KEAARN O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NC[C@H]3CCCO3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000102737512 555026720 /nfs/dbraw/zinc/02/67/20/555026720.db2.gz NNBNGUBQKWNUDZ-NQIIRXRSSA-N 0 0 563.636 2.499 50 0 KEAARN CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000102738807 555027470 /nfs/dbraw/zinc/02/74/70/555027470.db2.gz MZKGMNRGLFGAAW-JOCHJYFZSA-N 0 0 584.724 2.081 50 0 KEAARN CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)N2C1=O ZINC000102738809 555027481 /nfs/dbraw/zinc/02/74/81/555027481.db2.gz MZKGMNRGLFGAAW-QFIPXVFZSA-N 0 0 584.724 2.081 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NC4CCCCC4)C(=O)N32)cc1 ZINC000102740412 555029359 /nfs/dbraw/zinc/02/93/59/555029359.db2.gz ZBFOBSFFJUEIPI-HSZRJFAPSA-N 0 0 596.735 2.224 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NC4CCCCC4)C(=O)N32)cc1 ZINC000102740414 555029303 /nfs/dbraw/zinc/02/93/03/555029303.db2.gz ZBFOBSFFJUEIPI-QHCPKHFHSA-N 0 0 596.735 2.224 50 0 KEAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)c2=O ZINC000102740506 555029561 /nfs/dbraw/zinc/02/95/61/555029561.db2.gz WGDFZOIOILCAMG-UHFFFAOYSA-N 0 0 536.585 2.110 50 0 KEAARN CCCCNC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC000102741408 555030299 /nfs/dbraw/zinc/03/02/99/555030299.db2.gz ZEBJIKPZLXLRMV-UHFFFAOYSA-N 0 0 532.644 2.082 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000102746699 555039613 /nfs/dbraw/zinc/03/96/13/555039613.db2.gz MRDDACQQFHWJAF-XMMPIXPASA-N 0 0 622.704 2.230 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)NCc4ccc(F)cc4)C(=O)N32)cc1 ZINC000102746700 555039601 /nfs/dbraw/zinc/03/96/01/555039601.db2.gz MRDDACQQFHWJAF-DEOSSOPVSA-N 0 0 622.704 2.230 50 0 KEAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000102746709 555039628 /nfs/dbraw/zinc/03/96/28/555039628.db2.gz JDRFMSZIKCIPET-UHFFFAOYSA-N 0 0 610.670 2.059 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccc(OC)cc1OC ZINC000102747086 555040432 /nfs/dbraw/zinc/04/04/32/555040432.db2.gz SAKBGTBJCLPARB-VWLOTQADSA-N 0 0 560.673 2.307 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccc(OC)cc1OC ZINC000102747088 555040452 /nfs/dbraw/zinc/04/04/52/555040452.db2.gz SAKBGTBJCLPARB-RUZDIDTESA-N 0 0 560.673 2.307 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1cccc(OC)c1OC ZINC000102747090 555040524 /nfs/dbraw/zinc/04/05/24/555040524.db2.gz DDAVJGWMUHDAPT-DEOSSOPVSA-N 0 0 560.673 2.307 50 0 KEAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102747092 555040408 /nfs/dbraw/zinc/04/04/08/555040408.db2.gz DDAVJGWMUHDAPT-XMMPIXPASA-N 0 0 560.673 2.307 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1 ZINC000102750550 555044211 /nfs/dbraw/zinc/04/42/11/555044211.db2.gz LUHWLFJOGJATRG-UHFFFAOYSA-N 0 0 589.721 2.246 50 0 KEAARN CN1CCO[C@H](CN(CCCOc2ccc(S(C)(=O)=O)cc2)CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000102750694 555044169 /nfs/dbraw/zinc/04/41/69/555044169.db2.gz AVKCEKLLJQSDIF-DEOSSOPVSA-N 0 0 554.731 2.364 50 0 KEAARN CN1CCO[C@@H](CN(CCCOc2ccc(S(C)(=O)=O)cc2)CCCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000102750696 555044135 /nfs/dbraw/zinc/04/41/35/555044135.db2.gz AVKCEKLLJQSDIF-XMMPIXPASA-N 0 0 554.731 2.364 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCC(=O)Nc2nccs2)cc1 ZINC000102750883 555044181 /nfs/dbraw/zinc/04/41/81/555044181.db2.gz DRGLEGKGBWYBGO-UHFFFAOYSA-N 0 0 592.750 2.432 50 0 KEAARN COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3 ZINC000102755475 555047389 /nfs/dbraw/zinc/04/73/89/555047389.db2.gz CVCXKDGQVHVDPL-UHFFFAOYSA-N 0 0 567.668 2.109 50 0 KEAARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755603 555047875 /nfs/dbraw/zinc/04/78/75/555047875.db2.gz ZDWHPIBGXXTPPL-SFHVURJKSA-N 0 0 582.635 2.338 50 0 KEAARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755606 555047869 /nfs/dbraw/zinc/04/78/69/555047869.db2.gz ZDWHPIBGXXTPPL-GOSISDBHSA-N 0 0 582.635 2.338 50 0 KEAARN COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccc(OC)c(OC)c1 ZINC000102756358 193916273 /nfs/dbraw/zinc/91/62/73/193916273.db2.gz HSLKUQHNPQOPAJ-UHFFFAOYSA-N 0 0 542.658 2.348 50 0 KEAARN C[C@@H](Cn1cccn1)N(CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000102758071 555050231 /nfs/dbraw/zinc/05/02/31/555050231.db2.gz BFCRPOMEGTXNOB-RBZQAINGSA-N 0 0 563.655 2.170 50 0 KEAARN C[C@H](Cn1cccn1)N(CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000102758073 555050226 /nfs/dbraw/zinc/05/02/26/555050226.db2.gz BFCRPOMEGTXNOB-WXFUMESZSA-N 0 0 563.655 2.170 50 0 KEAARN C[C@H](Cn1cccn1)N(CC(=O)N(C)C[C@@H]1COc2ccccc2O1)CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000102758078 555050335 /nfs/dbraw/zinc/05/03/35/555050335.db2.gz BFCRPOMEGTXNOB-SMIHKQSGSA-N 0 0 563.655 2.170 50 0 KEAARN COc1cc(CNC(=O)c2ccc(N3CCOCC3)nc2)ccc1OC(=O)c1ccc(N2CCOCC2)nc1 ZINC000102761775 193920419 /nfs/dbraw/zinc/92/04/19/193920419.db2.gz ZGVWWEJFQQQYGC-UHFFFAOYSA-N 0 0 533.585 2.308 50 0 KEAARN Cc1cccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 ZINC000102777375 555063282 /nfs/dbraw/zinc/06/32/82/555063282.db2.gz WKMJTNVPLAXODM-VWLOTQADSA-N 0 0 540.667 2.372 50 0 KEAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C ZINC000102777465 555063315 /nfs/dbraw/zinc/06/33/15/555063315.db2.gz IDCKTRODCIBZFI-QHCPKHFHSA-N 0 0 542.029 2.490 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)cc1 ZINC000102777617 555063245 /nfs/dbraw/zinc/06/32/45/555063245.db2.gz IYAZKDMEEQACPS-QHCPKHFHSA-N 0 0 538.557 2.477 50 0 KEAARN COCCn1c(N)c(N(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)c(=O)[nH]c1=O ZINC000102777630 555063262 /nfs/dbraw/zinc/06/32/62/555063262.db2.gz DIBDNTDWEZMCFU-NRFANRHFSA-N 0 0 547.637 2.401 50 0 KEAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000102777727 555063718 /nfs/dbraw/zinc/06/37/18/555063718.db2.gz UYTRZXBHSGSMCY-QFIPXVFZSA-N 0 0 556.012 2.436 50 0 KEAARN CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1C(=O)c2ccccc2C1=O ZINC000102777815 555063761 /nfs/dbraw/zinc/06/37/61/555063761.db2.gz BJGSXHRQTPUCHZ-QFIPXVFZSA-N 0 0 564.016 2.163 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000102777884 555063768 /nfs/dbraw/zinc/06/37/68/555063768.db2.gz BTJNRYOLWGIYGR-DEOSSOPVSA-N 0 0 539.610 2.074 50 0 KEAARN CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000102778034 555064204 /nfs/dbraw/zinc/06/42/04/555064204.db2.gz VAPQDDIQXRRDSZ-FQEVSTJZSA-N 0 0 532.040 2.075 50 0 KEAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102778259 555064396 /nfs/dbraw/zinc/06/43/96/555064396.db2.gz LWTJMUMNXXAKAF-QFIPXVFZSA-N 0 0 563.032 2.071 50 0 KEAARN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000102778294 555064345 /nfs/dbraw/zinc/06/43/45/555064345.db2.gz WCJHJENLPOZDKE-QFIPXVFZSA-N 0 0 528.587 2.255 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)C(C)C)c1 ZINC000102778499 555064581 /nfs/dbraw/zinc/06/45/81/555064581.db2.gz MLNFLGUNEAVJSQ-SANMLTNESA-N 0 0 558.701 2.364 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2ccccc2C(=O)OC)C(C)C)c1 ZINC000102778596 555064630 /nfs/dbraw/zinc/06/46/30/555064630.db2.gz MFDRHMKTEINVCP-QHCPKHFHSA-N 0 0 547.630 2.440 50 0 KEAARN O=C(COC(=O)[C@@H]1CCCN1C(=O)c1cccs1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102778655 555064831 /nfs/dbraw/zinc/06/48/31/555064831.db2.gz UECVQWSIFZHDNO-KRWDZBQOSA-N 0 0 542.035 2.209 50 0 KEAARN O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000102778741 555064766 /nfs/dbraw/zinc/06/47/66/555064766.db2.gz ILHVTTHVBKZAJM-QFIPXVFZSA-N 0 0 557.650 2.292 50 0 KEAARN CCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1cccc(C)c1 ZINC000102783822 555066796 /nfs/dbraw/zinc/06/67/96/555066796.db2.gz BCDJGHJJPGNJHE-UHFFFAOYSA-N 0 0 546.715 2.487 50 0 KEAARN CCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000102786127 555067729 /nfs/dbraw/zinc/06/77/29/555067729.db2.gz RKINMHWBBSPEDA-UHFFFAOYSA-N 0 0 532.688 2.179 50 0 KEAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000102792746 555069556 /nfs/dbraw/zinc/06/95/56/555069556.db2.gz TYPILINYUSJHDI-UHFFFAOYSA-N 0 0 552.447 2.490 50 0 KEAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)cc21 ZINC000102792897 555069698 /nfs/dbraw/zinc/06/96/98/555069698.db2.gz UDGRKTMFFOSPHX-UHFFFAOYSA-N 0 0 534.432 2.350 50 0 KEAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ncccn5)CC4)C3)cc21 ZINC000102793021 555070032 /nfs/dbraw/zinc/07/00/32/555070032.db2.gz PPKVTMSIEXTJED-IBGZPJMESA-N 0 0 591.532 2.288 50 0 KEAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)cc21 ZINC000102793022 555070059 /nfs/dbraw/zinc/07/00/59/555070059.db2.gz PPKVTMSIEXTJED-LJQANCHMSA-N 0 0 591.532 2.288 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000102805068 555073023 /nfs/dbraw/zinc/07/30/23/555073023.db2.gz FHAFYTMDIMBRQD-DJOAIXOZSA-N 0 0 592.525 2.255 50 0 biogenic KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000102808609 555073774 /nfs/dbraw/zinc/07/37/74/555073774.db2.gz OPQDOPWWBGEPER-SEZOVNKOSA-N 0 0 630.599 2.441 50 0 biogenic KEAARN CCCn1nnnc1CN1CCN(Cc2nc3scc(-c4cccs4)c3c(=O)n2Cc2nnnn2CCC)CC1 ZINC000102838148 555080504 /nfs/dbraw/zinc/08/05/04/555080504.db2.gz UQIHTMHEUSLSCG-UHFFFAOYSA-N 0 0 580.748 2.346 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 ZINC000102839903 555081182 /nfs/dbraw/zinc/08/11/82/555081182.db2.gz KRYBYMXOIDPHCZ-UHFFFAOYSA-N 0 0 530.441 2.259 50 0 KEAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)cc21 ZINC000102840264 555081295 /nfs/dbraw/zinc/08/12/95/555081295.db2.gz UTGXSRVEQKWTJR-UHFFFAOYSA-N 0 0 546.443 2.350 50 0 KEAARN CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)CC1 ZINC000102840809 555081532 /nfs/dbraw/zinc/08/15/32/555081532.db2.gz MLMPWMRFCGHIIG-UHFFFAOYSA-N 0 0 530.441 2.213 50 0 KEAARN CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)CC1 ZINC000102843688 555083872 /nfs/dbraw/zinc/08/38/72/555083872.db2.gz BDMAXYHGVYOSPJ-UHFFFAOYSA-N 0 0 542.452 2.213 50 0 KEAARN C[C@](NC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)(C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000102844327 555084110 /nfs/dbraw/zinc/08/41/10/555084110.db2.gz OOCOWZUNTJNLTD-WJOKGBTCSA-N 0 0 546.716 2.143 50 0 KEAARN C[C@@](NC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1)(C(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000102844330 555084187 /nfs/dbraw/zinc/08/41/87/555084187.db2.gz OOCOWZUNTJNLTD-HKBQPEDESA-N 0 0 546.716 2.143 50 0 KEAARN Cc1cc(=O)n(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000102848810 555084565 /nfs/dbraw/zinc/08/45/65/555084565.db2.gz NTDJHNRMDTUXGC-UHFFFAOYSA-N 0 0 613.718 2.362 50 0 KEAARN COc1cc(OC)nc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC000102850112 555085341 /nfs/dbraw/zinc/08/53/41/555085341.db2.gz UEVYSEIJENJGNO-UHFFFAOYSA-N 0 0 523.921 2.111 50 0 KEAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](Cc3ccccc3)NC(N)=O)C2=O)cc(OC)c1OC ZINC000102851884 555086300 /nfs/dbraw/zinc/08/63/00/555086300.db2.gz LQZWTPQNSPBURY-HDAKKWKLSA-N 0 0 528.587 2.145 50 0 KEAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@H](Cc3ccccc3)NC(N)=O)C2=O)cc(OC)c1OC ZINC000102851886 555086232 /nfs/dbraw/zinc/08/62/32/555086232.db2.gz LQZWTPQNSPBURY-TYSUYXETSA-N 0 0 528.587 2.145 50 0 KEAARN CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)nc1-c1ccccc1 ZINC000102852182 555086297 /nfs/dbraw/zinc/08/62/97/555086297.db2.gz VXTLRCHGSVQQRU-UHFFFAOYSA-N 0 0 545.643 2.464 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(N)nc(N(C)C)n3)n2[C@@H](C)COC)c1 ZINC000102853735 555086804 /nfs/dbraw/zinc/08/68/04/555086804.db2.gz XNXIJDAFTFRVBT-HNNXBMFYSA-N 0 0 535.700 2.309 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(N)nc(N(C)C)n3)n2[C@H](C)COC)c1 ZINC000102853737 555086847 /nfs/dbraw/zinc/08/68/47/555086847.db2.gz XNXIJDAFTFRVBT-OAHLLOKOSA-N 0 0 535.700 2.309 50 0 KEAARN COCCCN(C(=O)CCCn1cnc2c(C)cccc2c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102854430 555086981 /nfs/dbraw/zinc/08/69/81/555086981.db2.gz BKSZQMJZEFYGFS-UHFFFAOYSA-N 0 0 532.601 2.035 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)cc1OCC ZINC000102854836 555087413 /nfs/dbraw/zinc/08/74/13/555087413.db2.gz SHDOKLDVKHVDMH-UHFFFAOYSA-N 0 0 537.660 2.171 50 0 KEAARN CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1 ZINC000102862450 555092520 /nfs/dbraw/zinc/09/25/20/555092520.db2.gz ASWJANLEERLIFL-UHFFFAOYSA-N 0 0 532.637 2.193 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)C(C)C)CC2)cc1 ZINC000102869517 555098757 /nfs/dbraw/zinc/09/87/57/555098757.db2.gz CNCMPPOCHIOPDC-MHZLTWQESA-N 0 0 620.794 2.078 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000102870802 555101242 /nfs/dbraw/zinc/10/12/42/555101242.db2.gz DAFFADQRYGEYSR-UHFFFAOYSA-N 0 0 540.686 2.407 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 ZINC000102873170 555103716 /nfs/dbraw/zinc/10/37/16/555103716.db2.gz ANAZCACPBJGWBY-UHFFFAOYSA-N 0 0 528.450 2.136 50 0 KEAARN CCCn1c(N2CCN(CC(=O)Nc3c4cc(Br)ccc4[nH]c3C(=O)OC)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000102873320 555103722 /nfs/dbraw/zinc/10/37/22/555103722.db2.gz CXHDPKZKYLZQRT-UHFFFAOYSA-N 0 0 601.462 2.037 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000102874196 555104403 /nfs/dbraw/zinc/10/44/03/555104403.db2.gz WBAMBLXSYUBEDR-UHFFFAOYSA-N 0 0 533.550 2.272 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000102874311 555104584 /nfs/dbraw/zinc/10/45/84/555104584.db2.gz XTDOTQCSUPQNMK-UHFFFAOYSA-N 0 0 528.450 2.136 50 0 KEAARN O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000102874494 555104496 /nfs/dbraw/zinc/10/44/96/555104496.db2.gz MQDIEVHKFIBZCO-UHFFFAOYSA-N 0 0 528.450 2.136 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000102874967 555104809 /nfs/dbraw/zinc/10/48/09/555104809.db2.gz BPEUKGVCGZNXKF-REWPJTCUSA-N 0 0 553.659 2.059 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000102874971 555104831 /nfs/dbraw/zinc/10/48/31/555104831.db2.gz BPEUKGVCGZNXKF-NZQKXSOJSA-N 0 0 553.659 2.059 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000102874973 555104877 /nfs/dbraw/zinc/10/48/77/555104877.db2.gz BPEUKGVCGZNXKF-OFNKIYASSA-N 0 0 553.659 2.059 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC(C)=O)CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000102874978 555105338 /nfs/dbraw/zinc/10/53/38/555105338.db2.gz BPEUKGVCGZNXKF-NFBKMPQASA-N 0 0 553.659 2.059 50 0 KEAARN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000102876777 555106598 /nfs/dbraw/zinc/10/65/98/555106598.db2.gz YTFWCDVGGITYHG-LJQANCHMSA-N 0 0 564.686 2.095 50 0 KEAARN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)C1 ZINC000102876779 555106626 /nfs/dbraw/zinc/10/66/26/555106626.db2.gz YTFWCDVGGITYHG-IBGZPJMESA-N 0 0 564.686 2.095 50 0 KEAARN O=C(CN1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000102887596 555119520 /nfs/dbraw/zinc/11/95/20/555119520.db2.gz DMKASXGSKNFMQH-UHFFFAOYSA-N 0 0 568.678 2.480 50 0 KEAARN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC)Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000102889048 555122915 /nfs/dbraw/zinc/12/29/15/555122915.db2.gz GBDBHHTUBCYZNC-UHFFFAOYSA-N 0 0 548.065 2.330 50 0 KEAARN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000102889237 555123169 /nfs/dbraw/zinc/12/31/69/555123169.db2.gz GGDGIQYQAQWOFV-UHFFFAOYSA-N 0 0 529.446 2.201 50 0 KEAARN CCCn1c2c(c(=O)n(CC(=O)Nc3ccccc3F)c1=O)C(=O)[C@H](C)N2CC(=O)Nc1ccccc1F ZINC000102890235 555125296 /nfs/dbraw/zinc/12/52/96/555125296.db2.gz FVQYWBIDOUEUMK-HNNXBMFYSA-N 0 0 525.512 2.367 50 0 KEAARN CCCn1c2c(c(=O)n(CC(=O)Nc3ccccc3F)c1=O)C(=O)[C@@H](C)N2CC(=O)Nc1ccccc1F ZINC000102890238 555125324 /nfs/dbraw/zinc/12/53/24/555125324.db2.gz FVQYWBIDOUEUMK-OAHLLOKOSA-N 0 0 525.512 2.367 50 0 KEAARN CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000102894762 555132914 /nfs/dbraw/zinc/13/29/14/555132914.db2.gz OIEYVHCXQXQDPV-RUZDIDTESA-N 0 0 534.585 2.217 50 0 KEAARN CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 ZINC000102894765 555132927 /nfs/dbraw/zinc/13/29/27/555132927.db2.gz OIEYVHCXQXQDPV-VWLOTQADSA-N 0 0 534.585 2.217 50 0 KEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 ZINC000102895352 555134281 /nfs/dbraw/zinc/13/42/81/555134281.db2.gz YAWHBVAIIYFWAS-ZDXGUKGBSA-N 0 0 592.671 2.056 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 ZINC000102895361 555134309 /nfs/dbraw/zinc/13/43/09/555134309.db2.gz YAWHBVAIIYFWAS-VDYXTEHCSA-N 0 0 592.671 2.056 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000102895818 555135273 /nfs/dbraw/zinc/13/52/73/555135273.db2.gz RBTMJHUVQJHWII-MRXNPFEDSA-N 0 0 533.006 2.233 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)[C@H](C)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000102895822 555135178 /nfs/dbraw/zinc/13/51/78/555135178.db2.gz RBTMJHUVQJHWII-INIZCTEOSA-N 0 0 533.006 2.233 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)CC2)cc1OC ZINC000102896108 555135666 /nfs/dbraw/zinc/13/56/66/555135666.db2.gz ZCHLIAUEDFPORC-NDEPHWFRSA-N 0 0 566.636 2.157 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)CC2)cc1OC ZINC000102896111 555135710 /nfs/dbraw/zinc/13/57/10/555135710.db2.gz ZCHLIAUEDFPORC-MUUNZHRXSA-N 0 0 566.636 2.157 50 0 KEAARN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O ZINC000102896335 555136286 /nfs/dbraw/zinc/13/62/86/555136286.db2.gz OYWDHTMCAMYGMX-QHCPKHFHSA-N 0 0 574.965 2.381 50 0 KEAARN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O ZINC000102896337 555136274 /nfs/dbraw/zinc/13/62/74/555136274.db2.gz OYWDHTMCAMYGMX-HSZRJFAPSA-N 0 0 574.965 2.381 50 0 KEAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O ZINC000102896341 555136356 /nfs/dbraw/zinc/13/63/56/555136356.db2.gz PFDWLCDKDYAMDN-QHCPKHFHSA-N 0 0 540.976 2.308 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1=O ZINC000102896344 555136278 /nfs/dbraw/zinc/13/62/78/555136278.db2.gz PFDWLCDKDYAMDN-HSZRJFAPSA-N 0 0 540.976 2.308 50 0 KEAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)C3=O)ccc2c1 ZINC000102896373 555136319 /nfs/dbraw/zinc/13/63/19/555136319.db2.gz MZHUGDHOHJEONX-MHZLTWQESA-N 0 0 572.590 2.427 50 0 KEAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)N4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)C3=O)ccc2c1 ZINC000102896376 555136276 /nfs/dbraw/zinc/13/62/76/555136276.db2.gz MZHUGDHOHJEONX-HHHXNRCGSA-N 0 0 572.590 2.427 50 0 KEAARN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1 ZINC000102896402 555136327 /nfs/dbraw/zinc/13/63/27/555136327.db2.gz WBUTURBNUKEUIH-UHFFFAOYSA-N 0 0 560.632 2.218 50 0 KEAARN NS(=O)(=O)c1ccc(CCN(Cc2nc3ccsc3c(=O)[nH]2)Cc2nc3ccsc3c(=O)[nH]2)cc1 ZINC000102898848 555138510 /nfs/dbraw/zinc/13/85/10/555138510.db2.gz JQSOCWLSZSUODG-UHFFFAOYSA-N 0 0 528.641 2.175 50 0 KEAARN CON(C)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Cl ZINC000102900000 555139655 /nfs/dbraw/zinc/13/96/55/555139655.db2.gz NNVQWXUSBPFONF-UHFFFAOYSA-N 0 0 547.771 2.250 50 0 KEAARN Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000102900132 555139597 /nfs/dbraw/zinc/13/95/97/555139597.db2.gz VQPFUYRJAGJBEM-MRXNPFEDSA-N 0 0 544.497 2.384 50 0 KEAARN Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000102900134 555139699 /nfs/dbraw/zinc/13/96/99/555139699.db2.gz VQPFUYRJAGJBEM-INIZCTEOSA-N 0 0 544.497 2.384 50 0 KEAARN COC(=O)Cc1c(C(=O)OC)sc2nc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)[nH]c(=O)c12 ZINC000102903728 555140956 /nfs/dbraw/zinc/14/09/56/555140956.db2.gz WGJIWAZKPCZJPS-UHFFFAOYSA-N 0 0 525.509 2.223 50 0 KEAARN COc1cc(NC(=O)Cn2c(=O)c3ccccc3c(=O)n2CC(=O)Nc2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000102903889 555140976 /nfs/dbraw/zinc/14/09/76/555140976.db2.gz YXOOLQSUJUUDOZ-UHFFFAOYSA-N 0 0 548.552 2.475 50 0 KEAARN CCOC(=O)c1cnc(SCC(=O)OCC(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)nc1N ZINC000102904860 555141211 /nfs/dbraw/zinc/14/12/11/555141211.db2.gz LMPBXXQKBMLWGG-UHFFFAOYSA-N 0 0 530.390 2.275 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c1 ZINC000102908389 555141671 /nfs/dbraw/zinc/14/16/71/555141671.db2.gz JWUZPGWRTLWSPT-UHFFFAOYSA-N 0 0 525.381 2.445 50 0 KEAARN Cn1c(=O)c(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000102910285 555142402 /nfs/dbraw/zinc/14/24/02/555142402.db2.gz NCUXKCVTLGMINZ-UHFFFAOYSA-N 0 0 545.518 2.234 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@H](C)O1 ZINC000102911049 555142707 /nfs/dbraw/zinc/14/27/07/555142707.db2.gz OOGUZDXXRMUGQB-DLEQGYHRSA-N 0 0 572.640 2.052 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@@H](C)O1 ZINC000102911053 555142777 /nfs/dbraw/zinc/14/27/77/555142777.db2.gz OOGUZDXXRMUGQB-KMVLGAPJSA-N 0 0 572.640 2.052 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000102911063 555142737 /nfs/dbraw/zinc/14/27/37/555142737.db2.gz PKNDMOPPKMFHGQ-RUZDIDTESA-N 0 0 530.603 2.284 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000102911065 555142814 /nfs/dbraw/zinc/14/28/14/555142814.db2.gz PKNDMOPPKMFHGQ-VWLOTQADSA-N 0 0 530.603 2.284 50 0 KEAARN NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)cc1 ZINC000102911283 555142963 /nfs/dbraw/zinc/14/29/63/555142963.db2.gz LODCTXIQWMVIEX-HXUWFJFHSA-N 0 0 529.644 2.077 50 0 KEAARN NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)cc1 ZINC000102911286 555142998 /nfs/dbraw/zinc/14/29/98/555142998.db2.gz LODCTXIQWMVIEX-FQEVSTJZSA-N 0 0 529.644 2.077 50 0 KEAARN COc1cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC ZINC000102914140 555143462 /nfs/dbraw/zinc/14/34/62/555143462.db2.gz NEVIQTGADBDCDW-AWQFTUOYSA-N 0 0 543.554 2.024 50 0 KEAARN O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000102914612 555143705 /nfs/dbraw/zinc/14/37/05/555143705.db2.gz QBMHKZLRZKYQGC-OAHLLOKOSA-N 0 0 523.970 2.136 50 0 KEAARN O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000102914613 555143693 /nfs/dbraw/zinc/14/36/93/555143693.db2.gz QBMHKZLRZKYQGC-HNNXBMFYSA-N 0 0 523.970 2.136 50 0 KEAARN CC(C)(C)NC(=O)N(CCN1CCOCC1)CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000102916856 555144183 /nfs/dbraw/zinc/14/41/83/555144183.db2.gz VCTAUJATQJGHJE-UHFFFAOYSA-N 0 0 541.672 2.464 50 0 KEAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3sc(NC(C)=O)nc3C)CC2)cc1OC ZINC000102917042 555144167 /nfs/dbraw/zinc/14/41/67/555144167.db2.gz UPMNXDDGWNAAHF-UHFFFAOYSA-N 0 0 558.646 2.043 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n1 ZINC000102920223 555145245 /nfs/dbraw/zinc/14/52/45/555145245.db2.gz WCQMIZVHMXEZQQ-UHFFFAOYSA-N 0 0 537.690 2.388 50 0 KEAARN CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000102920246 555145281 /nfs/dbraw/zinc/14/52/81/555145281.db2.gz AFVULAKCGBBADE-UHFFFAOYSA-N 0 0 547.678 2.182 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000102920315 555145384 /nfs/dbraw/zinc/14/53/84/555145384.db2.gz WZVOYEOYSQULTA-SFHVURJKSA-N 0 0 538.070 2.483 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000102920318 555145406 /nfs/dbraw/zinc/14/54/06/555145406.db2.gz WZVOYEOYSQULTA-GOSISDBHSA-N 0 0 538.070 2.483 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000102920341 555145367 /nfs/dbraw/zinc/14/53/67/555145367.db2.gz LFPZYRXRPWFWRG-UHFFFAOYSA-N 0 0 538.070 2.483 50 0 KEAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 ZINC000102920348 555145410 /nfs/dbraw/zinc/14/54/10/555145410.db2.gz NFEZNQXZDGXMSF-UHFFFAOYSA-N 0 0 535.469 2.004 50 0 KEAARN CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000102920374 555145452 /nfs/dbraw/zinc/14/54/52/555145452.db2.gz HYZCWIAZWORAIM-UHFFFAOYSA-N 0 0 538.070 2.437 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 ZINC000102920527 555145678 /nfs/dbraw/zinc/14/56/78/555145678.db2.gz SGNZRUPYWXHIAP-UHFFFAOYSA-N 0 0 544.081 2.425 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1 ZINC000102920611 555145846 /nfs/dbraw/zinc/14/58/46/555145846.db2.gz XBBRDLUEDUOEMW-UHFFFAOYSA-N 0 0 547.678 2.228 50 0 KEAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2nn(C)cc2C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000102920789 555146096 /nfs/dbraw/zinc/14/60/96/555146096.db2.gz PUVGBYNKGGGKPV-UHFFFAOYSA-N 0 0 544.081 2.250 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000102920814 555146107 /nfs/dbraw/zinc/14/61/07/555146107.db2.gz BSHZOFNMIWCXCJ-UHFFFAOYSA-N 0 0 544.081 2.425 50 0 KEAARN CCOC(=O)N1CCC(NC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000102920869 555146093 /nfs/dbraw/zinc/14/60/93/555146093.db2.gz GXEXIHOVENCVEY-UHFFFAOYSA-N 0 0 546.694 2.381 50 0 KEAARN Cc1cccc(N2CCN(S(=O)(=O)c3nn(C)cc3C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)c1C ZINC000102920887 555146086 /nfs/dbraw/zinc/14/60/86/555146086.db2.gz QFZVZPSJWTWDEY-UHFFFAOYSA-N 0 0 531.660 2.204 50 0 KEAARN CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000102921054 555146347 /nfs/dbraw/zinc/14/63/47/555146347.db2.gz RFPLVEMTFCDAGW-UHFFFAOYSA-N 0 0 538.070 2.437 50 0 KEAARN CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000102921071 555146351 /nfs/dbraw/zinc/14/63/51/555146351.db2.gz WMTQPJAODJASCQ-UHFFFAOYSA-N 0 0 537.690 2.388 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000102921104 555146310 /nfs/dbraw/zinc/14/63/10/555146310.db2.gz UQSPCGAXZWIANP-GOSISDBHSA-N 0 0 538.070 2.308 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000102921107 555146336 /nfs/dbraw/zinc/14/63/36/555146336.db2.gz UQSPCGAXZWIANP-SFHVURJKSA-N 0 0 538.070 2.308 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000102921157 555146547 /nfs/dbraw/zinc/14/65/47/555146547.db2.gz HJQPWWWZUKFSQG-UHFFFAOYSA-N 0 0 538.070 2.308 50 0 KEAARN CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000102921191 555146517 /nfs/dbraw/zinc/14/65/17/555146517.db2.gz ZIYHIXASAGFCBC-UHFFFAOYSA-N 0 0 538.070 2.437 50 0 KEAARN CCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n1 ZINC000102921237 555146543 /nfs/dbraw/zinc/14/65/43/555146543.db2.gz NLBJQXRMENLADI-UHFFFAOYSA-N 0 0 538.070 2.355 50 0 KEAARN O=C1C[C@@H](Sc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)C(=O)N1c1ccc(F)cc1 ZINC000102921609 555146993 /nfs/dbraw/zinc/14/69/93/555146993.db2.gz WGBKPRMVIORCIT-GOSISDBHSA-N 0 0 518.548 2.321 50 0 KEAARN COc1ccc(CCN2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1OC ZINC000102922160 555147241 /nfs/dbraw/zinc/14/72/41/555147241.db2.gz KHGYZIXDSMYYHQ-INIZCTEOSA-N 0 0 528.052 2.095 50 0 KEAARN COc1ccc(CCN2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1OC ZINC000102922162 555147189 /nfs/dbraw/zinc/14/71/89/555147189.db2.gz KHGYZIXDSMYYHQ-MRXNPFEDSA-N 0 0 528.052 2.095 50 0 KEAARN COc1ccc(CCN2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(Br)c(C)c4)CC3)C2=O)cc1OC ZINC000102922302 555147366 /nfs/dbraw/zinc/14/73/66/555147366.db2.gz HLTLKCWMUWGTTI-OAQYLSRUSA-N 0 0 580.501 2.451 50 0 KEAARN COc1ccc(CCN2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Br)c(C)c4)CC3)C2=O)cc1OC ZINC000102922307 555147375 /nfs/dbraw/zinc/14/73/75/555147375.db2.gz HLTLKCWMUWGTTI-NRFANRHFSA-N 0 0 580.501 2.451 50 0 KEAARN COc1ccc(-n2c([S-])c(C(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)[n+]3cc(C(N)=O)ccc23)cc1 ZINC000102924964 555149194 /nfs/dbraw/zinc/14/91/94/555149194.db2.gz GQTIVOCHHHHWBV-UHFFFAOYSA-O 0 0 540.647 2.423 50 0 KEAARN CC(C)c1ccccc1NC(=O)COC(=O)Cc1[nH]c2c(c1O)c(=O)n(C)c(=O)n2Cc1ccccc1 ZINC000102925854 555150203 /nfs/dbraw/zinc/15/02/03/555150203.db2.gz AHJNYDOARNFWPK-HXUWFJFHSA-N 0 0 504.543 2.268 50 0 KEAARN Cc1cccc(C)c1NC(=S)NNC(=S)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102927963 555152877 /nfs/dbraw/zinc/15/28/77/555152877.db2.gz RNTLZMOWUOUGGO-UHFFFAOYSA-N 0 0 535.717 2.149 50 0 KEAARN Cc1nc(C)c(NC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1NC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000102928403 555153718 /nfs/dbraw/zinc/15/37/18/555153718.db2.gz JGFGONXQZIXVKM-UHFFFAOYSA-N 0 0 533.592 2.281 50 0 KEAARN COc1cc(C(=O)NC(=S)NC[C@H](C)NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000102928483 555154016 /nfs/dbraw/zinc/15/40/16/555154016.db2.gz XAIKVCCLEDPUES-ZDUSSCGKSA-N 0 0 580.685 2.036 50 0 KEAARN COc1cc(C(=O)NC(=S)NC[C@@H](C)NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000102928486 555153977 /nfs/dbraw/zinc/15/39/77/555153977.db2.gz XAIKVCCLEDPUES-CYBMUJFWSA-N 0 0 580.685 2.036 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(NC(=S)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000102929331 555155116 /nfs/dbraw/zinc/15/51/16/555155116.db2.gz FACASOWOFCUJTQ-UHFFFAOYSA-N 0 0 554.716 2.173 50 0 KEAARN O=C(Nc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102929421 555155298 /nfs/dbraw/zinc/15/52/98/555155298.db2.gz RPEJUWPBUYLJTG-UHFFFAOYSA-N 0 0 614.702 2.233 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000102929528 555155299 /nfs/dbraw/zinc/15/52/99/555155299.db2.gz BYVPLWKDRUYZKL-UHFFFAOYSA-N 0 0 566.727 2.317 50 0 KEAARN CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2c1 ZINC000102932294 555159729 /nfs/dbraw/zinc/15/97/29/555159729.db2.gz QBONARHZFFYZJQ-UHFFFAOYSA-N 0 0 525.630 2.373 50 0 KEAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O ZINC000102938318 555166546 /nfs/dbraw/zinc/16/65/46/555166546.db2.gz WAHQOJJQCYYNCB-IZZDOVSWSA-N 0 0 535.644 2.240 50 0 KEAARN CC(C)(CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000102939419 555168050 /nfs/dbraw/zinc/16/80/50/555168050.db2.gz GRPGSMNIHYIPSM-UHFFFAOYSA-N 0 0 576.741 2.442 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000102939483 555168091 /nfs/dbraw/zinc/16/80/91/555168091.db2.gz VVNBBXKDJJBYRI-UHFFFAOYSA-N 0 0 537.660 2.088 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCOC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000102939496 555168048 /nfs/dbraw/zinc/16/80/48/555168048.db2.gz KLRAYVUCUVSVFY-UHFFFAOYSA-N 0 0 537.660 2.088 50 0 KEAARN O=C(Nc1ccccc1OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000102939658 555168316 /nfs/dbraw/zinc/16/83/16/555168316.db2.gz OIUAJSXEPHPVLH-UHFFFAOYSA-N 0 0 615.686 2.200 50 0 KEAARN COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)NC(=N)NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000102944846 555171497 /nfs/dbraw/zinc/17/14/97/555171497.db2.gz JZIIZUOJZKHVMU-STZFKDTASA-N 0 0 553.597 2.095 50 0 KEAARN CCS(=O)(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1 ZINC000102949881 555172759 /nfs/dbraw/zinc/17/27/59/555172759.db2.gz WHTRANDOXMWJJU-UHFFFAOYSA-N 0 0 551.731 2.475 50 0 KEAARN COCCN(CC(=O)N(Cc1ccc(C)cc1)C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1ccccc1 ZINC000102949960 555172720 /nfs/dbraw/zinc/17/27/20/555172720.db2.gz VNIGDWLQMATJMU-UHFFFAOYSA-N 0 0 537.704 2.085 50 0 KEAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(S(=O)(=O)CC)CC1 ZINC000102950366 555172988 /nfs/dbraw/zinc/17/29/88/555172988.db2.gz JSUVCZRWHBGCRH-UHFFFAOYSA-N 0 0 538.132 2.171 50 0 KEAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(S(=O)(=O)CC)CC1 ZINC000102950482 555172979 /nfs/dbraw/zinc/17/29/79/555172979.db2.gz QWKYMMDFKZOYED-UHFFFAOYSA-N 0 0 538.132 2.171 50 0 KEAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000102950513 555173040 /nfs/dbraw/zinc/17/30/40/555173040.db2.gz MGXRLPFLKJQXOX-UHFFFAOYSA-N 0 0 555.694 2.306 50 0 KEAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000102950524 555173055 /nfs/dbraw/zinc/17/30/55/555173055.db2.gz BJJBUKHETXTVAB-UHFFFAOYSA-N 0 0 569.721 2.447 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102955732 1066229000 /nfs/dbraw/zinc/22/90/00/1066229000.db2.gz LNIQVSSEMYAZHI-XFXZXTDPSA-N 0 0 546.502 2.422 50 0 KEAARN COCCN(C(=O)COC(=O)C=Cc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102956215 1066229091 /nfs/dbraw/zinc/22/90/91/1066229091.db2.gz ZFKZXJACFLVAQK-QXMHVHEDSA-N 0 0 535.582 2.013 50 0 KEAARN COCCN(C(=O)COC(=O)c1c2c(nc3ccccc31)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102956826 555174182 /nfs/dbraw/zinc/17/41/82/555174182.db2.gz NSCIDJXPSCLSGE-UHFFFAOYSA-N 0 0 543.580 2.040 50 0 KEAARN COCCN(C(=O)COC(=O)CCCc1c[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000102956955 555174135 /nfs/dbraw/zinc/17/41/35/555174135.db2.gz SQFAFHAGNGHYLP-UHFFFAOYSA-N 0 0 533.585 2.194 50 0 KEAARN O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000102957526 1066229706 /nfs/dbraw/zinc/22/97/06/1066229706.db2.gz LRUZLXGTEAPFNY-FLIBITNWSA-N 0 0 590.705 2.305 50 0 KEAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C2=O)cc(OC)c1OC ZINC000102964420 1066229742 /nfs/dbraw/zinc/22/97/42/1066229742.db2.gz WJNKRJYXJAPIEK-JCMHNJIXSA-N 0 0 591.664 2.200 50 0 KEAARN O=S(=O)(/C=C\c1ccccc1)N1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000102971655 1066230282 /nfs/dbraw/zinc/23/02/82/1066230282.db2.gz GBVOAXRZHIIGGO-GRSHGNNSSA-N 0 0 536.701 2.023 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000102971723 555181904 /nfs/dbraw/zinc/18/19/04/555181904.db2.gz NNWAGEQDNUVUNB-DJOAIXOZSA-N 0 0 558.536 2.280 50 0 biogenic KEAARN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000102973812 555183497 /nfs/dbraw/zinc/18/34/97/555183497.db2.gz NADYSPXNRBEYKR-UHFFFAOYSA-N 0 0 537.660 2.208 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102974543 555183988 /nfs/dbraw/zinc/18/39/88/555183988.db2.gz BRPGWEBMZPSFBZ-UHFFFAOYSA-N 0 0 537.660 2.208 50 0 KEAARN CCCN(S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000102974772 555184394 /nfs/dbraw/zinc/18/43/94/555184394.db2.gz MEVFXDGNFIFAHF-UHFFFAOYSA-N 0 0 532.662 2.278 50 0 KEAARN CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)sc2c1CC[C@@H](C)C2 ZINC000102984275 555190211 /nfs/dbraw/zinc/19/02/11/555190211.db2.gz HXDHNQPQLPYTRI-OAHLLOKOSA-N 0 0 579.697 2.243 50 0 KEAARN CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)sc2c1CC[C@H](C)C2 ZINC000102984277 555190210 /nfs/dbraw/zinc/19/02/10/555190210.db2.gz HXDHNQPQLPYTRI-HNNXBMFYSA-N 0 0 579.697 2.243 50 0 KEAARN COc1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000102987645 555191334 /nfs/dbraw/zinc/19/13/34/555191334.db2.gz OJFIUMWPXQVFPW-NRFANRHFSA-N 0 0 552.049 2.312 50 0 KEAARN COc1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000102987646 555191387 /nfs/dbraw/zinc/19/13/87/555191387.db2.gz OJFIUMWPXQVFPW-OAQYLSRUSA-N 0 0 552.049 2.312 50 0 KEAARN COc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2=O)c(OC)c1 ZINC000102988046 555191340 /nfs/dbraw/zinc/19/13/40/555191340.db2.gz BJZDXFJIJCOAGI-IBGZPJMESA-N 0 0 527.521 2.361 50 0 KEAARN COc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2=O)c(OC)c1 ZINC000102988048 555191431 /nfs/dbraw/zinc/19/14/31/555191431.db2.gz BJZDXFJIJCOAGI-LJQANCHMSA-N 0 0 527.521 2.361 50 0 KEAARN O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102988073 555191408 /nfs/dbraw/zinc/19/14/08/555191408.db2.gz RXGAGHVGXZJVRX-SFHVURJKSA-N 0 0 526.398 2.403 50 0 KEAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000102988076 555191574 /nfs/dbraw/zinc/19/15/74/555191574.db2.gz FPFTUAULPAVFSF-GOSISDBHSA-N 0 0 525.505 2.115 50 0 KEAARN O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C(=O)N1c1ccc2ccccc2c1 ZINC000102988078 555191611 /nfs/dbraw/zinc/19/16/11/555191611.db2.gz IDDCKVRTYNIQQV-JOCHJYFZSA-N 0 0 507.568 2.249 50 0 KEAARN COc1ccc(N[C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000102988156 555191559 /nfs/dbraw/zinc/19/15/59/555191559.db2.gz MHIMCMGCKRJHBY-QGZVFWFLSA-N 0 0 523.995 2.431 50 0 KEAARN O=C(CNC(=O)c1ccc(Br)o1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000102993096 555193496 /nfs/dbraw/zinc/19/34/96/555193496.db2.gz HRCSGJSOUSVBQB-UHFFFAOYSA-N 0 0 524.315 2.324 50 0 KEAARN CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000102994515 555194712 /nfs/dbraw/zinc/19/47/12/555194712.db2.gz HSEKWKLLLNUACW-HSZRJFAPSA-N 0 0 548.683 2.262 50 0 KEAARN CC(C)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000102994519 555194723 /nfs/dbraw/zinc/19/47/23/555194723.db2.gz HSEKWKLLLNUACW-QHCPKHFHSA-N 0 0 548.683 2.262 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000102996252 555195747 /nfs/dbraw/zinc/19/57/47/555195747.db2.gz HWEXVYMHMCWMPZ-UHFFFAOYSA-N 0 0 538.692 2.088 50 0 KEAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000102999111 555198618 /nfs/dbraw/zinc/19/86/18/555198618.db2.gz DOIXPXDPNLQWRJ-UHFFFAOYSA-N 0 0 568.674 2.015 50 0 KEAARN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000103000468 555200265 /nfs/dbraw/zinc/20/02/65/555200265.db2.gz LPEFLULUZCMRLE-UHFFFAOYSA-N 0 0 533.628 2.350 50 0 KEAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000103000644 555200530 /nfs/dbraw/zinc/20/05/30/555200530.db2.gz PSGMPSGWOGFUTN-UHFFFAOYSA-N 0 0 548.687 2.113 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000103007001 555204600 /nfs/dbraw/zinc/20/46/00/555204600.db2.gz LNRBXEXJYAFWFL-UHFFFAOYSA-N 0 0 535.475 2.189 50 0 KEAARN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1Cl ZINC000103007092 555204662 /nfs/dbraw/zinc/20/46/62/555204662.db2.gz RVAVFWVHDQBQPK-UHFFFAOYSA-N 0 0 535.475 2.189 50 0 KEAARN CCOC(=O)c1c2c(sc1NC(=O)CNc1cc(S(=O)(=O)N3CCOCC3)ccc1N1CCOCC1)CCC2 ZINC000103007578 555204844 /nfs/dbraw/zinc/20/48/44/555204844.db2.gz ACCCSKILKCYVGF-UHFFFAOYSA-N 0 0 578.713 2.322 50 0 KEAARN CCOC(=O)c1sc(NC(=O)CNc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)OCC)c1C ZINC000103007638 555204809 /nfs/dbraw/zinc/20/48/09/555204809.db2.gz VQYARYNOWOYJBS-UHFFFAOYSA-N 0 0 539.632 2.481 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000103009227 555205458 /nfs/dbraw/zinc/20/54/58/555205458.db2.gz GBQHRAGPKCIDLC-POHUPDAJSA-N 0 0 615.476 2.444 50 0 KEAARN CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(Cl)cc2Cl)CC1 ZINC000103009260 555205411 /nfs/dbraw/zinc/20/54/11/555205411.db2.gz GLTYNNOVXSJFSL-UHFFFAOYSA-N 0 0 593.511 2.076 50 0 KEAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103012502 555207265 /nfs/dbraw/zinc/20/72/65/555207265.db2.gz FVTZFOPRUPQXSV-MJIUFTLYSA-N 0 0 524.577 2.038 50 0 KEAARN CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000103014350 555208245 /nfs/dbraw/zinc/20/82/45/555208245.db2.gz FPOBNJWBZKNFDP-UHFFFAOYSA-N 0 0 549.715 2.297 50 0 KEAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000103014459 555208240 /nfs/dbraw/zinc/20/82/40/555208240.db2.gz ZQVQTMCZJFQHTL-UHFFFAOYSA-N 0 0 534.541 2.340 50 0 KEAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000103017010 555209897 /nfs/dbraw/zinc/20/98/97/555209897.db2.gz GLWTZROBBSLRCC-UHFFFAOYSA-N 0 0 551.672 2.473 50 0 KEAARN COCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000103019187 555210974 /nfs/dbraw/zinc/21/09/74/555210974.db2.gz BRFUQKYFFMASKL-UHFFFAOYSA-N 0 0 543.646 2.202 50 0 KEAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 ZINC000103019192 555211005 /nfs/dbraw/zinc/21/10/05/555211005.db2.gz RNSNBHFEHBGPBG-UHFFFAOYSA-N 0 0 543.646 2.283 50 0 KEAARN COCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000103019203 555210984 /nfs/dbraw/zinc/21/09/84/555210984.db2.gz QJRFPOWOLARLIB-UHFFFAOYSA-N 0 0 543.646 2.202 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)cc1C ZINC000103020402 555211689 /nfs/dbraw/zinc/21/16/89/555211689.db2.gz JOMKPAAHACRRCR-UHFFFAOYSA-N 0 0 534.704 2.301 50 0 KEAARN O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000103020674 555211873 /nfs/dbraw/zinc/21/18/73/555211873.db2.gz DQLARGCTOYHALT-UHFFFAOYSA-N 0 0 570.089 2.433 50 0 KEAARN O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000103020690 555211880 /nfs/dbraw/zinc/21/18/80/555211880.db2.gz KXJFEEGXCPLYFW-UHFFFAOYSA-N 0 0 546.605 2.363 50 0 KEAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000103020700 555211936 /nfs/dbraw/zinc/21/19/36/555211936.db2.gz ALHDCHZEUSXEMN-UHFFFAOYSA-N 0 0 551.687 2.415 50 0 KEAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)CC2)c1 ZINC000103021068 555212318 /nfs/dbraw/zinc/21/23/18/555212318.db2.gz WYWDMOOLUMHCEB-UHFFFAOYSA-N 0 0 534.704 2.301 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)CC2)c(C)c1 ZINC000103022240 555213277 /nfs/dbraw/zinc/21/32/77/555213277.db2.gz AZAVSGVWMNZAPJ-UHFFFAOYSA-N 0 0 577.725 2.399 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 ZINC000103022250 555213366 /nfs/dbraw/zinc/21/33/66/555213366.db2.gz XBIQENMZKNPLHL-UHFFFAOYSA-N 0 0 563.698 2.024 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1 ZINC000103023128 555214215 /nfs/dbraw/zinc/21/42/15/555214215.db2.gz GMEQLYZCVLOXJL-UHFFFAOYSA-N 0 0 536.676 2.200 50 0 KEAARN CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)NCC(=O)OCC)CC1)S(=O)(=O)CCC ZINC000103023465 555214108 /nfs/dbraw/zinc/21/41/08/555214108.db2.gz AERSJAKNWFCZPR-UHFFFAOYSA-N 0 0 542.674 2.343 50 0 KEAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000103023621 555214103 /nfs/dbraw/zinc/21/41/03/555214103.db2.gz KYBHWPCDBFIBBR-UHFFFAOYSA-N 0 0 563.648 2.486 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000103024392 555214844 /nfs/dbraw/zinc/21/48/44/555214844.db2.gz AOIGNFSJXFFQEM-HYARGMPZSA-N 0 0 568.633 2.015 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c(=O)[nH]c1=O ZINC000103024725 555215143 /nfs/dbraw/zinc/21/51/43/555215143.db2.gz SKUCPNPAJZTCCD-UHFFFAOYSA-N 0 0 549.694 2.123 50 0 KEAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)c(=O)[nH]c1=O ZINC000103024733 555215147 /nfs/dbraw/zinc/21/51/47/555215147.db2.gz BTZHVSIHELXJSV-UHFFFAOYSA-N 0 0 549.584 2.017 50 0 KEAARN O=C(CCc1ccccc1)N1CCCN(c2nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000103025723 555215901 /nfs/dbraw/zinc/21/59/01/555215901.db2.gz XNKUNVCGPOOEDO-UHFFFAOYSA-N 0 0 558.683 2.488 50 0 KEAARN COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000103026243 555216146 /nfs/dbraw/zinc/21/61/46/555216146.db2.gz RJXPIMPXXVRHHA-KRWDZBQOSA-N 0 0 577.612 2.227 50 0 KEAARN COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC ZINC000103026245 555216130 /nfs/dbraw/zinc/21/61/30/555216130.db2.gz RJXPIMPXXVRHHA-QGZVFWFLSA-N 0 0 577.612 2.227 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1 ZINC000103026705 555216529 /nfs/dbraw/zinc/21/65/29/555216529.db2.gz FZZXAAGOWFWWDR-UHFFFAOYSA-N 0 0 551.565 2.151 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000103027075 555216890 /nfs/dbraw/zinc/21/68/90/555216890.db2.gz MTFCITDTHXAJFW-UHFFFAOYSA-N 0 0 537.440 2.202 50 0 KEAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000103028383 555217781 /nfs/dbraw/zinc/21/77/81/555217781.db2.gz VMGYKSWQYQTZLQ-UHFFFAOYSA-N 0 0 563.742 2.471 50 0 KEAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000103030132 555218611 /nfs/dbraw/zinc/21/86/11/555218611.db2.gz FEAAOQNZFFFICO-IBGZPJMESA-N 0 0 546.580 2.465 50 0 KEAARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000103030135 555218680 /nfs/dbraw/zinc/21/86/80/555218680.db2.gz FEAAOQNZFFFICO-LJQANCHMSA-N 0 0 546.580 2.465 50 0 KEAARN Nc1c(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000103032888 555220390 /nfs/dbraw/zinc/22/03/90/555220390.db2.gz FLBKKZHABASDHZ-UHFFFAOYSA-N 0 0 575.647 2.035 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O ZINC000103033145 555220857 /nfs/dbraw/zinc/22/08/57/555220857.db2.gz HUJAPWOFJXSABX-BCVFTJSSSA-N 0 0 633.787 2.455 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 ZINC000103040440 555224880 /nfs/dbraw/zinc/22/48/80/555224880.db2.gz FALPEAJHQQTIJW-UHFFFAOYSA-N 0 0 529.612 2.138 50 0 KEAARN Cc1c(N(C)S(=O)(=O)c2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000103040623 555225068 /nfs/dbraw/zinc/22/50/68/555225068.db2.gz RYQIGUUOPNIBAB-DEOSSOPVSA-N 0 0 567.089 2.270 50 0 KEAARN COc1ccc(-c2cnc3ncnn3c2N2CCN(S(=O)(=O)c3sc(NC(C)=O)nc3C)CC2)cc1 ZINC000103040757 555224954 /nfs/dbraw/zinc/22/49/54/555224954.db2.gz LXIQBCXFRDTAMS-UHFFFAOYSA-N 0 0 528.620 2.034 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000103041124 555225227 /nfs/dbraw/zinc/22/52/27/555225227.db2.gz DJIALRPHKJAJTK-UHFFFAOYSA-N 0 0 542.540 2.338 50 0 KEAARN COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1 ZINC000103041661 555225484 /nfs/dbraw/zinc/22/54/84/555225484.db2.gz CSVVSOKIUTZVEJ-UHFFFAOYSA-N 0 0 540.436 2.118 50 0 KEAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc(OC)c1OC ZINC000103042320 1066386684 /nfs/dbraw/zinc/38/66/84/1066386684.db2.gz ZGVPJYICVIPGBQ-ZHZULCJRSA-N 0 0 549.627 2.429 50 0 KEAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3nn(C)c(=O)c4ccccc43)C2=O)cc(OC)c1OC ZINC000103042400 1066387353 /nfs/dbraw/zinc/38/73/53/1066387353.db2.gz SOEVNADQBVYXGL-UYRXBGFRSA-N 0 0 524.555 2.426 50 0 KEAARN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000103042480 555226391 /nfs/dbraw/zinc/22/63/91/555226391.db2.gz YHUIJGSJSMLZBK-HMMYKYKNSA-N 0 0 558.638 2.122 50 0 KEAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3sc(NC(C)=O)nc3C)CC2)cc1 ZINC000103043507 555227085 /nfs/dbraw/zinc/22/70/85/555227085.db2.gz RLOGDHZAIRAASC-UHFFFAOYSA-N 0 0 542.647 2.424 50 0 KEAARN CCOc1ccc(NC(=O)CN(C)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1OCC ZINC000103044519 555227448 /nfs/dbraw/zinc/22/74/48/555227448.db2.gz RWLQQOSYNLMSQN-UHFFFAOYSA-N 0 0 549.646 2.153 50 0 KEAARN CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OCC ZINC000103044570 555227418 /nfs/dbraw/zinc/22/74/18/555227418.db2.gz IFYLURCOLVRGPA-UHFFFAOYSA-N 0 0 546.646 2.048 50 0 KEAARN O=C(CN1CCN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000103044626 555227452 /nfs/dbraw/zinc/22/74/52/555227452.db2.gz SERKJRBCXVADCI-IYBDPMFKSA-N 0 0 512.916 2.393 50 0 KEAARN O=C(CN1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000103044628 555227522 /nfs/dbraw/zinc/22/75/22/555227522.db2.gz SERKJRBCXVADCI-HOTGVXAUSA-N 0 0 512.916 2.393 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000103047334 555229071 /nfs/dbraw/zinc/22/90/71/555229071.db2.gz LPCDINCVEKQSNU-DEOSSOPVSA-N 0 0 552.561 2.086 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)NC(=O)[C@H]1COc2ccccc2O1 ZINC000103047338 555229101 /nfs/dbraw/zinc/22/91/01/555229101.db2.gz LPCDINCVEKQSNU-XMMPIXPASA-N 0 0 552.561 2.086 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000103048494 555229927 /nfs/dbraw/zinc/22/99/27/555229927.db2.gz YIQNPAHGTWRAPZ-UHFFFAOYSA-N 0 0 594.756 2.146 50 0 KEAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)cc1 ZINC000103048548 555230224 /nfs/dbraw/zinc/23/02/24/555230224.db2.gz XZZXYIVHRKIDGL-UHFFFAOYSA-N 0 0 568.718 2.260 50 0 KEAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103048619 555230337 /nfs/dbraw/zinc/23/03/37/555230337.db2.gz NSRJWLPOIXRGRB-UHFFFAOYSA-N 0 0 599.131 2.234 50 0 KEAARN CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1 ZINC000103048670 555230445 /nfs/dbraw/zinc/23/04/45/555230445.db2.gz WLGBDDMDQGSTSW-UHFFFAOYSA-N 0 0 566.702 2.014 50 0 KEAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)cc1S(=O)(=O)N(C)C ZINC000103049182 555231076 /nfs/dbraw/zinc/23/10/76/555231076.db2.gz QRGKOABSBVGMPT-UHFFFAOYSA-N 0 0 536.676 2.119 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c(N)n(Cc2ccccc2)c1=O ZINC000103049668 555231803 /nfs/dbraw/zinc/23/18/03/555231803.db2.gz FRIZKQCAQFUDMN-UHFFFAOYSA-N 0 0 556.575 2.280 50 0 KEAARN COc1cccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)c1 ZINC000103050228 555232760 /nfs/dbraw/zinc/23/27/60/555232760.db2.gz SEGWFTALTHRAEL-UHFFFAOYSA-N 0 0 604.708 2.293 50 0 KEAARN O=C(c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCN(c2ncccn2)CC1 ZINC000103050408 555232788 /nfs/dbraw/zinc/23/27/88/555232788.db2.gz NIZOCOCSCBBNGH-UHFFFAOYSA-N 0 0 555.060 2.239 50 0 KEAARN COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1 ZINC000103051407 555233687 /nfs/dbraw/zinc/23/36/87/555233687.db2.gz PTXXEFAHIVJOPG-UHFFFAOYSA-N 0 0 538.475 2.438 50 0 KEAARN CCCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2=O)cc1OCCC ZINC000103051712 555234098 /nfs/dbraw/zinc/23/40/98/555234098.db2.gz GNCBXNNEMMUPLQ-UHFFFAOYSA-N 0 0 588.639 2.219 50 0 KEAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000103053386 555235173 /nfs/dbraw/zinc/23/51/73/555235173.db2.gz YHKJMMNLKOHSCD-UHFFFAOYSA-N 0 0 550.593 2.393 50 0 KEAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O ZINC000103053480 555235244 /nfs/dbraw/zinc/23/52/44/555235244.db2.gz GJNWJCNUZQPWJD-NDEPHWFRSA-N 0 0 532.601 2.013 50 0 KEAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O ZINC000103053485 555235183 /nfs/dbraw/zinc/23/51/83/555235183.db2.gz GJNWJCNUZQPWJD-MUUNZHRXSA-N 0 0 532.601 2.013 50 0 KEAARN CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)OCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000103054159 555235865 /nfs/dbraw/zinc/23/58/65/555235865.db2.gz YHTZXXJUOJHXBJ-SFHVURJKSA-N 0 0 528.583 2.074 50 0 KEAARN COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 ZINC000103054193 555235845 /nfs/dbraw/zinc/23/58/45/555235845.db2.gz SAMKVTJOKQAFNT-UHFFFAOYSA-N 0 0 537.582 2.150 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)CC2)cc1 ZINC000103054309 555235793 /nfs/dbraw/zinc/23/57/93/555235793.db2.gz UPFJCIMUQOQMQF-UHFFFAOYSA-N 0 0 538.602 2.194 50 0 KEAARN COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CCC(Cc3ccccc3)CC1)c(=O)n2Cc1ccccc1 ZINC000103054380 555236113 /nfs/dbraw/zinc/23/61/13/555236113.db2.gz DKUXGGDHBXUDDW-UHFFFAOYSA-N 0 0 573.650 2.079 50 0 KEAARN COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)N(Cc1ccccc1)C(C)C)c(=O)n2Cc1ccccc1 ZINC000103054398 555236041 /nfs/dbraw/zinc/23/60/41/555236041.db2.gz UGRFTQXQERYUON-UHFFFAOYSA-N 0 0 547.612 2.035 50 0 KEAARN O=C(COC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103054595 555236354 /nfs/dbraw/zinc/23/63/54/555236354.db2.gz UPITWSRLTZPRRI-UHFFFAOYSA-N 0 0 563.588 2.299 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NCc1ccc3c(c1)OCO3)n2C ZINC000103054933 555236544 /nfs/dbraw/zinc/23/65/44/555236544.db2.gz JPLFRHNWCFZBHD-UHFFFAOYSA-N 0 0 530.603 2.125 50 0 KEAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000103054977 555236547 /nfs/dbraw/zinc/23/65/47/555236547.db2.gz OJVZVOPASRXCFD-UHFFFAOYSA-N 0 0 551.643 2.190 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000103055161 555236734 /nfs/dbraw/zinc/23/67/34/555236734.db2.gz IGADTCQRAFCMOP-UHFFFAOYSA-N 0 0 579.997 2.060 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000103055202 555236778 /nfs/dbraw/zinc/23/67/78/555236778.db2.gz URXPMFWWIRXBDX-UHFFFAOYSA-N 0 0 542.540 2.338 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3nn(CCC(C)C)c(=O)c4ccccc43)CC2)cc1 ZINC000103056130 555237454 /nfs/dbraw/zinc/23/74/54/555237454.db2.gz RXRRGASEMOEJAW-UHFFFAOYSA-N 0 0 540.642 2.441 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)n2CC ZINC000103056206 555237696 /nfs/dbraw/zinc/23/76/96/555237696.db2.gz MIYKBHKUPZFJQD-UHFFFAOYSA-N 0 0 553.732 2.185 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc(Br)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103056881 555237883 /nfs/dbraw/zinc/23/78/83/555237883.db2.gz YTBJLBWPKBIZEK-UHFFFAOYSA-N 0 0 576.425 2.094 50 0 KEAARN NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)c(Cl)c1 ZINC000103057945 555238854 /nfs/dbraw/zinc/23/88/54/555238854.db2.gz CFFIPOMURHYZFC-UHFFFAOYSA-N 0 0 565.240 2.408 50 0 KEAARN CCOc1cc(C(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O ZINC000103058333 555239173 /nfs/dbraw/zinc/23/91/73/555239173.db2.gz VKOODKXOASKXJD-UHFFFAOYSA-N 0 0 539.006 2.484 50 0 KEAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103059799 555240399 /nfs/dbraw/zinc/24/03/99/555240399.db2.gz ZDAXPTVLTSGBKP-LLVKDONJSA-N 0 0 596.467 2.114 50 0 KEAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000103059802 555240380 /nfs/dbraw/zinc/24/03/80/555240380.db2.gz ZDAXPTVLTSGBKP-NSHDSACASA-N 0 0 596.467 2.114 50 0 KEAARN CCCCn1c(CCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000103061013 555242222 /nfs/dbraw/zinc/24/22/22/555242222.db2.gz AZLALLTZKUIFTN-UHFFFAOYSA-N 0 0 571.656 2.071 50 0 KEAARN CCCCn1c(CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000103061018 555242213 /nfs/dbraw/zinc/24/22/13/555242213.db2.gz MCHOHUDQZDMJGX-UHFFFAOYSA-N 0 0 586.667 2.378 50 0 KEAARN CCCCn1c(CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000103061065 555242338 /nfs/dbraw/zinc/24/23/38/555242338.db2.gz OCIUFTGTMKPQAG-UHFFFAOYSA-N 0 0 583.667 2.318 50 0 KEAARN CCCCn1c(CCC(=O)OCC(=O)Nc2cc(C)on2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000103061070 555242333 /nfs/dbraw/zinc/24/23/33/555242333.db2.gz QNUNGPXFJYXVOS-UHFFFAOYSA-N 0 0 533.607 2.268 50 0 KEAARN COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc(Br)c1O ZINC000103061136 555242372 /nfs/dbraw/zinc/24/23/72/555242372.db2.gz DZYDIMVFMUTBCB-UHFFFAOYSA-N 0 0 541.420 2.470 50 0 KEAARN COCCN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000103062168 555243363 /nfs/dbraw/zinc/24/33/63/555243363.db2.gz HIVXFXQHXDQZNX-UHFFFAOYSA-N 0 0 526.550 2.128 50 0 KEAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CNS(=O)(=O)/C=C\c1ccccc1 ZINC000103063200 1066387372 /nfs/dbraw/zinc/38/73/72/1066387372.db2.gz OTLGCYVZGVSCFT-GDNBJRDFSA-N 0 0 547.630 2.393 50 0 KEAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000103063260 555243997 /nfs/dbraw/zinc/24/39/97/555243997.db2.gz AJYHETUEFQFUMB-UHFFFAOYSA-N 0 0 596.684 2.134 50 0 KEAARN Cn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)nnc1-c1ccc(F)cc1 ZINC000103064141 555244741 /nfs/dbraw/zinc/24/47/41/555244741.db2.gz ZPGSWEXLHBBULT-UHFFFAOYSA-N 0 0 576.676 2.210 50 0 KEAARN O=C(/C=C\c1ccc(OC(F)F)cc1)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000103064995 1066386898 /nfs/dbraw/zinc/38/68/98/1066386898.db2.gz KAVVSXJHQHHAQT-BAQGIRSFSA-N 0 0 581.594 2.341 50 0 KEAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)COC(=O)CNC1=NS(=O)(=O)c3ccccc31)CC2 ZINC000103066537 555246988 /nfs/dbraw/zinc/24/69/88/555246988.db2.gz MZBRXPLBJRFJCZ-MHZLTWQESA-N 0 0 549.605 2.460 50 0 KEAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)COC(=O)CNC1=NS(=O)(=O)c3ccccc31)CC2 ZINC000103066541 555246977 /nfs/dbraw/zinc/24/69/77/555246977.db2.gz MZBRXPLBJRFJCZ-HHHXNRCGSA-N 0 0 549.605 2.460 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000103066767 555246968 /nfs/dbraw/zinc/24/69/68/555246968.db2.gz RSYNFXTUQFFSKX-UHFFFAOYSA-N 0 0 580.468 2.060 50 0 KEAARN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 ZINC000103067003 555247128 /nfs/dbraw/zinc/24/71/28/555247128.db2.gz ZVEAFSXVOORZHD-UHFFFAOYSA-N 0 0 550.911 2.143 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000103067771 555248066 /nfs/dbraw/zinc/24/80/66/555248066.db2.gz WXIKHAIHENXSPU-UHFFFAOYSA-N 0 0 540.019 2.204 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C ZINC000103067913 555248256 /nfs/dbraw/zinc/24/82/56/555248256.db2.gz VPFWGRVFMXRHQY-YADARESESA-N 0 0 535.619 2.457 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C ZINC000103067916 555248276 /nfs/dbraw/zinc/24/82/76/555248276.db2.gz VPFWGRVFMXRHQY-NTKDMRAZSA-N 0 0 535.619 2.457 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C ZINC000103067919 555248274 /nfs/dbraw/zinc/24/82/74/555248274.db2.gz VPFWGRVFMXRHQY-CYFREDJKSA-N 0 0 535.619 2.457 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1S(=O)(=O)N(C)C ZINC000103067922 555248261 /nfs/dbraw/zinc/24/82/61/555248261.db2.gz VPFWGRVFMXRHQY-DVECYGJZSA-N 0 0 535.619 2.457 50 0 KEAARN Cc1ccccc1Nc1nc(N)nc(COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000103070310 555251215 /nfs/dbraw/zinc/25/12/15/555251215.db2.gz CMFPISHGJWJMQV-UHFFFAOYSA-N 0 0 540.602 2.421 50 0 KEAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000103070531 1066387077 /nfs/dbraw/zinc/38/70/77/1066387077.db2.gz IHTPGYJMOPXLOB-FOQNGQEVSA-N 0 0 527.024 2.049 50 0 KEAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000103070533 1066387131 /nfs/dbraw/zinc/38/71/31/1066387131.db2.gz IHTPGYJMOPXLOB-FJOGCWAESA-N 0 0 527.024 2.049 50 0 KEAARN COc1cc(NC(=O)COC(=O)/C=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc(OC)c1OC ZINC000103070575 1066387188 /nfs/dbraw/zinc/38/71/88/1066387188.db2.gz KPKJEDBCGDJSSH-IYKSTZQJSA-N 0 0 527.983 2.425 50 0 KEAARN COc1cc(NC(=O)COC(=O)/C=C\c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc(OC)c1OC ZINC000103070578 1066387387 /nfs/dbraw/zinc/38/73/87/1066387387.db2.gz KPKJEDBCGDJSSH-YVACAVLKSA-N 0 0 527.983 2.425 50 0 KEAARN CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000103071241 555251656 /nfs/dbraw/zinc/25/16/56/555251656.db2.gz IJZFNNXXRVBRMF-UHFFFAOYSA-N 0 0 545.593 2.133 50 0 KEAARN CCn1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000103071450 555251807 /nfs/dbraw/zinc/25/18/07/555251807.db2.gz WVSMLPAZDRQNRV-HTAPYJJXSA-N 0 0 557.623 2.390 50 0 KEAARN CCn1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000103071452 555251816 /nfs/dbraw/zinc/25/18/16/555251816.db2.gz WVSMLPAZDRQNRV-JTSKRJEESA-N 0 0 557.623 2.390 50 0 KEAARN CCn1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000103071454 555251864 /nfs/dbraw/zinc/25/18/64/555251864.db2.gz WVSMLPAZDRQNRV-VGOFRKELSA-N 0 0 557.623 2.390 50 0 KEAARN CCn1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000103071457 555251871 /nfs/dbraw/zinc/25/18/71/555251871.db2.gz WVSMLPAZDRQNRV-VGSWGCGISA-N 0 0 557.623 2.390 50 0 KEAARN COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000103072680 555252370 /nfs/dbraw/zinc/25/23/70/555252370.db2.gz AEYPACSQVLHPJD-NRFANRHFSA-N 0 0 593.724 2.257 50 0 KEAARN COc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000103072682 555252631 /nfs/dbraw/zinc/25/26/31/555252631.db2.gz AEYPACSQVLHPJD-OAQYLSRUSA-N 0 0 593.724 2.257 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 ZINC000103073646 555253138 /nfs/dbraw/zinc/25/31/38/555253138.db2.gz MUKFUMDSSJWDTO-UHFFFAOYSA-N 0 0 528.564 2.110 50 0 KEAARN COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000103073664 555253154 /nfs/dbraw/zinc/25/31/54/555253154.db2.gz OPYPAIODOULBJM-UHFFFAOYSA-N 0 0 586.600 2.131 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1S(=O)(=O)N(C)C ZINC000103073678 555253560 /nfs/dbraw/zinc/25/35/60/555253560.db2.gz HLUKCIJHFOFSCW-UHFFFAOYSA-N 0 0 542.591 2.418 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(N)n(Cc2ccccc2)c1=O ZINC000103073714 555253537 /nfs/dbraw/zinc/25/35/37/555253537.db2.gz JOHVIPLDTYNQGI-UHFFFAOYSA-N 0 0 520.325 2.160 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000103073824 555253514 /nfs/dbraw/zinc/25/35/14/555253514.db2.gz BZKSXCRHIFOUJD-AWEZNQCLSA-N 0 0 564.378 2.314 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000103073826 555253528 /nfs/dbraw/zinc/25/35/28/555253528.db2.gz BZKSXCRHIFOUJD-CQSZACIVSA-N 0 0 564.378 2.314 50 0 KEAARN O=C(COC(=O)c1cccnc1SCC(=O)NCc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000103074101 555253756 /nfs/dbraw/zinc/25/37/56/555253756.db2.gz JNKQNLATJKBLKT-UHFFFAOYSA-N 0 0 537.550 2.421 50 0 KEAARN CCOc1cc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)cc(OCC)c1OCC ZINC000103074370 555254107 /nfs/dbraw/zinc/25/41/07/555254107.db2.gz PUSXIRVFIYIOCX-UHFFFAOYSA-N 0 0 583.594 2.049 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000103074708 555254515 /nfs/dbraw/zinc/25/45/15/555254515.db2.gz GOQIGUGMVUDOCB-VWLOTQADSA-N 0 0 584.670 2.206 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103074713 555254541 /nfs/dbraw/zinc/25/45/41/555254541.db2.gz GOQIGUGMVUDOCB-RUZDIDTESA-N 0 0 584.670 2.206 50 0 KEAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)[C@H](C)OC(C)=O)CC3)c2)cc1OC ZINC000103076788 555255786 /nfs/dbraw/zinc/25/57/86/555255786.db2.gz BKLSOWSLMXBBIT-IBGZPJMESA-N 0 0 563.673 2.176 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000103076827 555255914 /nfs/dbraw/zinc/25/59/14/555255914.db2.gz MNXANCDOSLHKGC-UHFFFAOYSA-N 0 0 555.543 2.084 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000103077416 555256133 /nfs/dbraw/zinc/25/61/33/555256133.db2.gz JTZLAPAJIZBQMQ-UHFFFAOYSA-N 0 0 549.593 2.246 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(=O)NCc3ccc4c(c3)OCO4)CC2)c(OC)c1 ZINC000103077444 555256061 /nfs/dbraw/zinc/25/60/61/555256061.db2.gz ZQDIASXNVHHWEJ-UHFFFAOYSA-N 0 0 540.598 2.268 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc2c(c1)OCO2 ZINC000103079602 555258069 /nfs/dbraw/zinc/25/80/69/555258069.db2.gz ZUJQDTXWBZUNJF-DEOSSOPVSA-N 0 0 567.643 2.474 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000103079606 555258079 /nfs/dbraw/zinc/25/80/79/555258079.db2.gz ZUJQDTXWBZUNJF-XMMPIXPASA-N 0 0 567.643 2.474 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000103081153 555259944 /nfs/dbraw/zinc/25/99/44/555259944.db2.gz IXILQQJGCUNUGL-CQSZACIVSA-N 0 0 526.409 2.308 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000103081157 555259907 /nfs/dbraw/zinc/25/99/07/555259907.db2.gz IXILQQJGCUNUGL-AWEZNQCLSA-N 0 0 526.409 2.308 50 0 KEAARN CCN(C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000103081353 1066386916 /nfs/dbraw/zinc/38/69/16/1066386916.db2.gz FVUUVWGUYVREEU-ZDKIGPTLSA-N 0 0 532.640 2.030 50 0 KEAARN CCN(C(=O)COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000103081358 1066387143 /nfs/dbraw/zinc/38/71/43/1066387143.db2.gz FVUUVWGUYVREEU-ZAGZISDZSA-N 0 0 532.640 2.030 50 0 KEAARN Cn1c(N)c(C(=O)COC(=O)c2c3c(nc4ccccc42)C(=Cc2ccc4c(c2)OCO4)CC3)c(=O)n(C)c1=O ZINC000103081623 555260478 /nfs/dbraw/zinc/26/04/78/555260478.db2.gz BOCAVRAZOZAJIT-WJDWOHSUSA-N 0 0 540.532 2.470 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)[C@H](C)OC(C)=O)CC1 ZINC000103081788 555260623 /nfs/dbraw/zinc/26/06/23/555260623.db2.gz SENDUGJMHJKPOJ-SFHVURJKSA-N 0 0 561.657 2.060 50 0 KEAARN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)N1CCN(c2ccccc2)CC1 ZINC000103082219 555261307 /nfs/dbraw/zinc/26/13/07/555261307.db2.gz CFJHRQVFXOMLTQ-UHFFFAOYSA-N 0 0 529.644 2.198 50 0 KEAARN CCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2ccccc2c1=O ZINC000103083088 555262022 /nfs/dbraw/zinc/26/20/22/555262022.db2.gz BJGYIOWMWRUJBR-UHFFFAOYSA-N 0 0 563.636 2.299 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000103083784 555262638 /nfs/dbraw/zinc/26/26/38/555262638.db2.gz LUUDXNOTQCDOIL-UHFFFAOYSA-N 0 0 583.626 2.488 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000103084164 555263120 /nfs/dbraw/zinc/26/31/20/555263120.db2.gz XAASVIBEWGKUIJ-UHFFFAOYSA-N 0 0 522.539 2.412 50 0 KEAARN CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c(=O)n(C)c1=O ZINC000103084330 555263145 /nfs/dbraw/zinc/26/31/45/555263145.db2.gz BQHPXFTXUXTUSL-UHFFFAOYSA-N 0 0 563.032 2.303 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(NCc3ccccc3)s2)c(N)n(Cc2ccccc2)c1=O ZINC000103084947 555263597 /nfs/dbraw/zinc/26/35/97/555263597.db2.gz RQBQWAKTJZOERQ-UHFFFAOYSA-N 0 0 552.638 2.252 50 0 KEAARN CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000103085776 555264463 /nfs/dbraw/zinc/26/44/63/555264463.db2.gz BAWRTWFBSVHEAT-GOSISDBHSA-N 0 0 541.047 2.284 50 0 KEAARN CCN(C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 ZINC000103085777 555264470 /nfs/dbraw/zinc/26/44/70/555264470.db2.gz BAWRTWFBSVHEAT-SFHVURJKSA-N 0 0 541.047 2.284 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NC(=O)NCc1ccccc1 ZINC000103085948 555264725 /nfs/dbraw/zinc/26/47/25/555264725.db2.gz KGJLXLUMPWEEDO-UHFFFAOYSA-N 0 0 536.610 2.380 50 0 KEAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000103086743 555265311 /nfs/dbraw/zinc/26/53/11/555265311.db2.gz IFNHKQCAVZWSFK-UHFFFAOYSA-N 0 0 548.832 2.453 50 0 KEAARN CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 ZINC000103086840 555265417 /nfs/dbraw/zinc/26/54/17/555265417.db2.gz NHTYACLWWOQWPC-UHFFFAOYSA-N 0 0 562.963 2.298 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)COc2ccc(-c3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103086932 555265622 /nfs/dbraw/zinc/26/56/22/555265622.db2.gz JLMVDYDEKBQZTL-UHFFFAOYSA-N 0 0 557.559 2.285 50 0 KEAARN COc1cc(/C=C\C(=O)OCC(=O)NC(=O)NC(C)C)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000103087899 1066387155 /nfs/dbraw/zinc/38/71/55/1066387155.db2.gz KMJLZBYEAGKZRV-KTKRTIGZSA-N 0 0 531.587 2.246 50 0 KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103087917 555266783 /nfs/dbraw/zinc/26/67/83/555266783.db2.gz DUGMWRVAQLBEEH-UHFFFAOYSA-N 0 0 586.088 2.331 50 0 KEAARN O=C(NCCCN1CCOCC1)c1c(-c2ccccc2)n(Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000103088157 555267149 /nfs/dbraw/zinc/26/71/49/555267149.db2.gz PGELRMBGUKDLLO-UHFFFAOYSA-N 0 0 539.702 2.211 50 0 KEAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103088227 555267136 /nfs/dbraw/zinc/26/71/36/555267136.db2.gz MJSXWUKHEVFCAP-UHFFFAOYSA-N 0 0 567.715 2.236 50 0 KEAARN CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000103088311 555267195 /nfs/dbraw/zinc/26/71/95/555267195.db2.gz ATTVMRVQLHEXRN-UHFFFAOYSA-N 0 0 597.741 2.244 50 0 KEAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)nc3c2)cc1 ZINC000103088349 555267397 /nfs/dbraw/zinc/26/73/97/555267397.db2.gz IOWITLUWUSQYRW-OAHLLOKOSA-N 0 0 525.630 2.375 50 0 KEAARN COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)nc3c2)cc1 ZINC000103088352 555267376 /nfs/dbraw/zinc/26/73/76/555267376.db2.gz IOWITLUWUSQYRW-HNNXBMFYSA-N 0 0 525.630 2.375 50 0 KEAARN CCOC(=O)c1sc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(C(=O)OCC)c1C ZINC000103088518 555267405 /nfs/dbraw/zinc/26/74/05/555267405.db2.gz OFNRWNZKADPLPB-UHFFFAOYSA-N 0 0 526.589 2.179 50 0 KEAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC000103088526 555267351 /nfs/dbraw/zinc/26/73/51/555267351.db2.gz SNOQBYDCFRVVQB-UHFFFAOYSA-N 0 0 535.619 2.089 50 0 KEAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)c1C ZINC000103089963 555268918 /nfs/dbraw/zinc/26/89/18/555268918.db2.gz LOFSITHDKBUECH-UHFFFAOYSA-N 0 0 544.564 2.272 50 0 KEAARN COc1ccc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1 ZINC000103090961 555269890 /nfs/dbraw/zinc/26/98/90/555269890.db2.gz RSVZBZOKMJBSDT-UHFFFAOYSA-N 0 0 524.420 2.207 50 0 KEAARN COc1ccc(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1S(=O)(=O)N1CCOCC1 ZINC000103091004 555269934 /nfs/dbraw/zinc/26/99/34/555269934.db2.gz ULFOWROMPDHLTR-UHFFFAOYSA-N 0 0 549.558 2.149 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(CCN3CCOCC3)Cc3cccc(OC)c3OC)n2)C1 ZINC000103091688 555270441 /nfs/dbraw/zinc/27/04/41/555270441.db2.gz WBWDKBHBNFWWEJ-JOCHJYFZSA-N 0 0 544.649 2.442 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(CCN3CCOCC3)Cc3cccc(OC)c3OC)n2)C1 ZINC000103091693 555270485 /nfs/dbraw/zinc/27/04/85/555270485.db2.gz WBWDKBHBNFWWEJ-QFIPXVFZSA-N 0 0 544.649 2.442 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)c(C)c1 ZINC000103092928 555271851 /nfs/dbraw/zinc/27/18/51/555271851.db2.gz NGIIGMDHJVZFFJ-UHFFFAOYSA-N 0 0 528.583 2.173 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000103093483 555272575 /nfs/dbraw/zinc/27/25/75/555272575.db2.gz OCEQUGYNLAHGMF-UHFFFAOYSA-N 0 0 543.689 2.361 50 0 KEAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000103093611 555272577 /nfs/dbraw/zinc/27/25/77/555272577.db2.gz AQUIUCVRBGXHJG-UHFFFAOYSA-N 0 0 565.645 2.092 50 0 KEAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103093677 555272559 /nfs/dbraw/zinc/27/25/59/555272559.db2.gz ONQBLFRWJCVRTJ-SFHVURJKSA-N 0 0 577.656 2.235 50 0 KEAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103093680 555272578 /nfs/dbraw/zinc/27/25/78/555272578.db2.gz ONQBLFRWJCVRTJ-GOSISDBHSA-N 0 0 577.656 2.235 50 0 KEAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000103093719 555272787 /nfs/dbraw/zinc/27/27/87/555272787.db2.gz UOQGWWSWRQHKGA-SFHVURJKSA-N 0 0 554.600 2.248 50 0 KEAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000103093723 555272745 /nfs/dbraw/zinc/27/27/45/555272745.db2.gz UOQGWWSWRQHKGA-GOSISDBHSA-N 0 0 554.600 2.248 50 0 KEAARN COCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000103094762 555273473 /nfs/dbraw/zinc/27/34/73/555273473.db2.gz XTSVQQQKVZJWCO-UHFFFAOYSA-N 0 0 563.611 2.213 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000103096109 555274057 /nfs/dbraw/zinc/27/40/57/555274057.db2.gz AMDKMJXCPYEHJL-HDICACEKSA-N 0 0 533.603 2.028 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000103096114 555274072 /nfs/dbraw/zinc/27/40/72/555274072.db2.gz AMDKMJXCPYEHJL-ROUUACIJSA-N 0 0 533.603 2.028 50 0 KEAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000103096119 555274063 /nfs/dbraw/zinc/27/40/63/555274063.db2.gz AMDKMJXCPYEHJL-QZTJIDSGSA-N 0 0 533.603 2.028 50 0 KEAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000103096719 555274304 /nfs/dbraw/zinc/27/43/04/555274304.db2.gz QXIYJKCIJLCKFC-HNNXBMFYSA-N 0 0 533.584 2.327 50 0 KEAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)cc1 ZINC000103096724 555274300 /nfs/dbraw/zinc/27/43/00/555274300.db2.gz QXIYJKCIJLCKFC-OAHLLOKOSA-N 0 0 533.584 2.327 50 0 KEAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000103096898 555274329 /nfs/dbraw/zinc/27/43/29/555274329.db2.gz MIJBAVWKAIIYRP-UHFFFAOYSA-N 0 0 528.580 2.497 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000103096924 1066387014 /nfs/dbraw/zinc/38/70/14/1066387014.db2.gz QHGLMWONORAEEX-LCYFTJDESA-N 0 0 579.697 2.242 50 0 KEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000103097845 555274826 /nfs/dbraw/zinc/27/48/26/555274826.db2.gz OJAQADKNWSYJOW-UHFFFAOYSA-N 0 0 573.649 2.328 50 0 KEAARN O=C(COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000103098487 555275939 /nfs/dbraw/zinc/27/59/39/555275939.db2.gz KKKKEGFQNZOTEO-UHFFFAOYSA-N 0 0 579.603 2.456 50 0 KEAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1ccc(Cl)cc1)C1CCN(C(=O)NCC(=O)OCC)CC1 ZINC000103099257 555276636 /nfs/dbraw/zinc/27/66/36/555276636.db2.gz CBHLSTLJKJQAAW-UHFFFAOYSA-N 0 0 575.128 2.094 50 0 KEAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000103099416 555276765 /nfs/dbraw/zinc/27/67/65/555276765.db2.gz IGRDCNFXFJSBAC-UHFFFAOYSA-N 0 0 594.495 2.053 50 0 KEAARN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000103099421 555276784 /nfs/dbraw/zinc/27/67/84/555276784.db2.gz XANKFRLVPGMLPR-UHFFFAOYSA-N 0 0 594.495 2.053 50 0 KEAARN NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(Cl)cc1Cl ZINC000103099439 555277112 /nfs/dbraw/zinc/27/71/12/555277112.db2.gz WMPDBKSLYGVDDW-UHFFFAOYSA-N 0 0 586.859 2.111 50 0 KEAARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1 ZINC000103099451 555277050 /nfs/dbraw/zinc/27/70/50/555277050.db2.gz CRNHFEAJMTZVQV-UHFFFAOYSA-N 0 0 544.822 2.340 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(OCCC(C)C)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103100025 555277681 /nfs/dbraw/zinc/27/76/81/555277681.db2.gz PEDYCEKCELTGGP-UHFFFAOYSA-N 0 0 537.569 2.278 50 0 KEAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000103100884 555278457 /nfs/dbraw/zinc/27/84/57/555278457.db2.gz TWEZDICRIIATPQ-UHFFFAOYSA-N 0 0 594.738 2.214 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc(Br)cc2C)c(N)n(Cc2ccccc2)c1=O ZINC000103101005 555278467 /nfs/dbraw/zinc/27/84/67/555278467.db2.gz RCZZSADYJXUYPB-UHFFFAOYSA-N 0 0 590.452 2.403 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CC(=O)Nc2ccccc21 ZINC000103101302 555278720 /nfs/dbraw/zinc/27/87/20/555278720.db2.gz KNNDKSWOZRGHHU-UHFFFAOYSA-N 0 0 548.621 2.335 50 0 KEAARN COC(=O)c1sc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(=O)OC)c1C ZINC000103101417 555278838 /nfs/dbraw/zinc/27/88/38/555278838.db2.gz JGLIEEABZHPCCM-UHFFFAOYSA-N 0 0 524.573 2.210 50 0 KEAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000103101625 555279032 /nfs/dbraw/zinc/27/90/32/555279032.db2.gz ZDYWPGMSOTUEBU-UHFFFAOYSA-N 0 0 618.528 2.296 50 0 KEAARN CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)/C=C\c1ccc(O)c(OC)c1 ZINC000103101934 555279517 /nfs/dbraw/zinc/27/95/17/555279517.db2.gz GQYKKSPFGLJNCW-XFFZJAGNSA-N 0 0 547.630 2.463 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103102061 555279499 /nfs/dbraw/zinc/27/94/99/555279499.db2.gz DRLVQSVJGFZCBE-UHFFFAOYSA-N 0 0 585.660 2.254 50 0 KEAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1ccc2c(c1)NC(=O)CO2 ZINC000103102359 555279672 /nfs/dbraw/zinc/27/96/72/555279672.db2.gz FAIOJNKGUSVJNG-UHFFFAOYSA-N 0 0 529.354 2.385 50 0 KEAARN COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1 ZINC000103102377 555279872 /nfs/dbraw/zinc/27/98/72/555279872.db2.gz QRALXYLOSZNGPB-UHFFFAOYSA-N 0 0 545.397 2.274 50 0 KEAARN CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)c1 ZINC000103102383 555279865 /nfs/dbraw/zinc/27/98/65/555279865.db2.gz QQMIBVVUIPKGDL-UHFFFAOYSA-N 0 0 580.468 2.060 50 0 KEAARN CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1OCC ZINC000103103368 555280999 /nfs/dbraw/zinc/28/09/99/555280999.db2.gz CHRSZGOYMQROOT-UHFFFAOYSA-N 0 0 535.619 2.426 50 0 KEAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103105036 555282290 /nfs/dbraw/zinc/28/22/90/555282290.db2.gz HAJRUNRAJSFIQZ-UHFFFAOYSA-N 0 0 565.670 2.068 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)CSc2ccc3ccccc3c2)c(N)n(Cc2ccccc2)c1=O ZINC000103106056 555282955 /nfs/dbraw/zinc/28/29/55/555282955.db2.gz NJMFNUJBMHZXOJ-UHFFFAOYSA-N 0 0 547.589 2.485 50 0 KEAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc1ccc(Cl)cc1C ZINC000103107443 555283672 /nfs/dbraw/zinc/28/36/72/555283672.db2.gz VNNWVXCEPRUDBF-UHFFFAOYSA-N 0 0 541.384 2.387 50 0 KEAARN O=C(COC(=O)c1ccccc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000103108370 555284015 /nfs/dbraw/zinc/28/40/15/555284015.db2.gz AYEYYLQALXSMRJ-UHFFFAOYSA-N 0 0 594.646 2.091 50 0 KEAARN COc1ccc(-n2nc(C(=O)NC[C@@H]3CCCO3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000103109217 555284567 /nfs/dbraw/zinc/28/45/67/555284567.db2.gz AREDEJCXDXVGNN-SFHVURJKSA-N 0 0 534.491 2.387 50 0 KEAARN COc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000103109222 555284569 /nfs/dbraw/zinc/28/45/69/555284569.db2.gz AREDEJCXDXVGNN-GOSISDBHSA-N 0 0 534.491 2.387 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(N)n(Cc2ccccc2)c1=O ZINC000103110412 555285003 /nfs/dbraw/zinc/28/50/03/555285003.db2.gz BHEOCFICNITGMS-UHFFFAOYSA-N 0 0 541.560 2.372 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000103110996 555285249 /nfs/dbraw/zinc/28/52/49/555285249.db2.gz ODXYJHMQSFGDBY-UHFFFAOYSA-N 0 0 520.325 2.160 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000103111031 555285236 /nfs/dbraw/zinc/28/52/36/555285236.db2.gz XBXRULPGCGZEKG-UHFFFAOYSA-N 0 0 520.325 2.160 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc(Cl)c2Cl)c(N)n(Cc2ccccc2)c1=O ZINC000103111084 555285300 /nfs/dbraw/zinc/28/53/00/555285300.db2.gz AUHGATAVAHUJRL-UHFFFAOYSA-N 0 0 520.325 2.160 50 0 KEAARN O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000103111273 555285466 /nfs/dbraw/zinc/28/54/66/555285466.db2.gz GUMNSBINCKMLRJ-UHFFFAOYSA-N 0 0 556.012 2.061 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103111564 555285708 /nfs/dbraw/zinc/28/57/08/555285708.db2.gz DVYLJESECWKGKT-UHFFFAOYSA-N 0 0 569.570 2.393 50 0 KEAARN Cc1ccc(NC(=O)COC(=O)c2cccc(I)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000103112397 555285898 /nfs/dbraw/zinc/28/58/98/555285898.db2.gz DJJFBKPVWDAHAY-UHFFFAOYSA-N 0 0 544.367 2.416 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cccc(I)c1 ZINC000103112401 555285922 /nfs/dbraw/zinc/28/59/22/555285922.db2.gz PSLSSFBHAKJYPT-UHFFFAOYSA-N 0 0 544.367 2.416 50 0 KEAARN CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCCOC)ccc1Cl ZINC000103113311 555286356 /nfs/dbraw/zinc/28/63/56/555286356.db2.gz LZEIVWBQYTWLCO-UHFFFAOYSA-N 0 0 590.076 2.438 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1I ZINC000103113364 555286606 /nfs/dbraw/zinc/28/66/06/555286606.db2.gz VSHZXYVNWDDMQM-UHFFFAOYSA-N 0 0 544.367 2.416 50 0 KEAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103113560 555286885 /nfs/dbraw/zinc/28/68/85/555286885.db2.gz YQHUXNDHUPNLCN-UHFFFAOYSA-N 0 0 526.589 2.062 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 ZINC000103113988 555287034 /nfs/dbraw/zinc/28/70/34/555287034.db2.gz OZTAJADKLZXNRL-UHFFFAOYSA-N 0 0 574.077 2.187 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2cccc(OCc3ccccc3)c2)c(N)n(Cc2ccccc2)c1=O ZINC000103114482 555287314 /nfs/dbraw/zinc/28/73/14/555287314.db2.gz NRJKKSYXOZPHEZ-UHFFFAOYSA-N 0 0 557.559 2.432 50 0 KEAARN COc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)cc1 ZINC000103114586 555287303 /nfs/dbraw/zinc/28/73/03/555287303.db2.gz CSRCGAOQIGYTME-UHFFFAOYSA-N 0 0 589.648 2.312 50 0 KEAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000103115443 555287801 /nfs/dbraw/zinc/28/78/01/555287801.db2.gz DLYPJXFTKHIERP-VWLOTQADSA-N 0 0 527.555 2.311 50 0 KEAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000103115446 555287789 /nfs/dbraw/zinc/28/77/89/555287789.db2.gz DLYPJXFTKHIERP-RUZDIDTESA-N 0 0 527.555 2.311 50 0 KEAARN CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000103115556 555287754 /nfs/dbraw/zinc/28/77/54/555287754.db2.gz ACZOBLOXFRWJJX-KRWDZBQOSA-N 0 0 533.603 2.308 50 0 KEAARN CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000103115558 555287767 /nfs/dbraw/zinc/28/77/67/555287767.db2.gz ACZOBLOXFRWJJX-QGZVFWFLSA-N 0 0 533.603 2.308 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3ccccc3C)c2=O)C1 ZINC000103115719 555288088 /nfs/dbraw/zinc/28/80/88/555288088.db2.gz ZFIHYHDAAFPJOK-HXUWFJFHSA-N 0 0 536.585 2.183 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3ccccc3C)c2=O)C1 ZINC000103115723 555288046 /nfs/dbraw/zinc/28/80/46/555288046.db2.gz ZFIHYHDAAFPJOK-FQEVSTJZSA-N 0 0 536.585 2.183 50 0 KEAARN COC(=O)CCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2OC)CC1 ZINC000103115954 555288018 /nfs/dbraw/zinc/28/80/18/555288018.db2.gz QJJQVKVMXYXNON-UHFFFAOYSA-N 0 0 575.684 2.451 50 0 KEAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000103116040 555288044 /nfs/dbraw/zinc/28/80/44/555288044.db2.gz NSCUNWBJPHGKKH-MUUNZHRXSA-N 0 0 554.600 2.498 50 0 KEAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O ZINC000103116045 555288062 /nfs/dbraw/zinc/28/80/62/555288062.db2.gz NSCUNWBJPHGKKH-NDEPHWFRSA-N 0 0 554.600 2.498 50 0 KEAARN CCOC(=O)CCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2OC)CC1 ZINC000103116124 555288257 /nfs/dbraw/zinc/28/82/57/555288257.db2.gz WDCGXPKXTNLWTD-UHFFFAOYSA-N 0 0 575.684 2.451 50 0 KEAARN O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000103116790 555288765 /nfs/dbraw/zinc/28/87/65/555288765.db2.gz OPMOQIIVMOMEET-HSZRJFAPSA-N 0 0 536.031 2.345 50 0 KEAARN O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000103116791 555288742 /nfs/dbraw/zinc/28/87/42/555288742.db2.gz OPMOQIIVMOMEET-QHCPKHFHSA-N 0 0 536.031 2.345 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103119096 555289305 /nfs/dbraw/zinc/28/93/05/555289305.db2.gz YTNJFLAMFLBUPI-UHFFFAOYSA-N 0 0 555.543 2.084 50 0 KEAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c1 ZINC000103120844 555290209 /nfs/dbraw/zinc/29/02/09/555290209.db2.gz RAEJIUQFIHUDJQ-UHFFFAOYSA-N 0 0 556.622 2.122 50 0 KEAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000103122737 555291405 /nfs/dbraw/zinc/29/14/05/555291405.db2.gz QYMHEBRKACQZKE-UHFFFAOYSA-N 0 0 537.585 2.074 50 0 KEAARN COCCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000103122856 555291377 /nfs/dbraw/zinc/29/13/77/555291377.db2.gz DGTFBXJEOXASBT-LBPRGKRZSA-N 0 0 545.618 2.254 50 0 KEAARN COCCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2scc(-c3ccc(F)cc3)c2c1=O ZINC000103122858 555291388 /nfs/dbraw/zinc/29/13/88/555291388.db2.gz DGTFBXJEOXASBT-GFCCVEGCSA-N 0 0 545.618 2.254 50 0 KEAARN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000103122938 555291531 /nfs/dbraw/zinc/29/15/31/555291531.db2.gz NKFRLSMUNIMRSI-NSHDSACASA-N 0 0 521.901 2.112 50 0 KEAARN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000103122939 555291551 /nfs/dbraw/zinc/29/15/51/555291551.db2.gz NKFRLSMUNIMRSI-LLVKDONJSA-N 0 0 521.901 2.112 50 0 KEAARN CCOC(=O)C1=C(COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1cccs1 ZINC000103122946 555291613 /nfs/dbraw/zinc/29/16/13/555291613.db2.gz KFIACHCZDDMFKX-LJQANCHMSA-N 0 0 528.008 2.484 50 0 KEAARN CCOC(=O)C1=C(COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)NC(=O)N[C@H]1c1cccs1 ZINC000103122948 555291598 /nfs/dbraw/zinc/29/15/98/555291598.db2.gz KFIACHCZDDMFKX-IBGZPJMESA-N 0 0 528.008 2.484 50 0 KEAARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O ZINC000103123669 555291845 /nfs/dbraw/zinc/29/18/45/555291845.db2.gz DYZXAMKEEZTRLJ-VWLOTQADSA-N 0 0 528.587 2.386 50 0 KEAARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)C1=O ZINC000103123672 555291774 /nfs/dbraw/zinc/29/17/74/555291774.db2.gz DYZXAMKEEZTRLJ-RUZDIDTESA-N 0 0 528.587 2.386 50 0 KEAARN COc1ccccc1-c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1N ZINC000103124397 555292084 /nfs/dbraw/zinc/29/20/84/555292084.db2.gz WXTLFJIDJRDFJR-UHFFFAOYSA-N 0 0 538.655 2.446 50 0 KEAARN CC(C)Cn1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103125052 555292978 /nfs/dbraw/zinc/29/29/78/555292978.db2.gz GDBBUSHGKUEXMN-UHFFFAOYSA-N 0 0 558.686 2.452 50 0 KEAARN CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103125069 555292977 /nfs/dbraw/zinc/29/29/77/555292977.db2.gz YNZVMKYVRNYFQO-SFHVURJKSA-N 0 0 608.768 2.389 50 0 KEAARN CC(C)Cn1c(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103125073 555292985 /nfs/dbraw/zinc/29/29/85/555292985.db2.gz YNZVMKYVRNYFQO-GOSISDBHSA-N 0 0 608.768 2.389 50 0 KEAARN Cn1c(=O)c(C(=O)COC(=O)C=Cc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103125392 1066387173 /nfs/dbraw/zinc/38/71/73/1066387173.db2.gz QNNXIQNKKWYOHC-SSZFMOIBSA-N 0 0 580.663 2.182 50 0 KEAARN CCCCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000103126089 555294310 /nfs/dbraw/zinc/29/43/10/555294310.db2.gz DWNVASPDEBGQIO-UHFFFAOYSA-N 0 0 583.752 2.305 50 0 KEAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000103127155 555295214 /nfs/dbraw/zinc/29/52/14/555295214.db2.gz QCSHSXGGCZHEIG-QGZVFWFLSA-N 0 0 555.005 2.177 50 0 KEAARN COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000103127157 555295246 /nfs/dbraw/zinc/29/52/46/555295246.db2.gz QCSHSXGGCZHEIG-KRWDZBQOSA-N 0 0 555.005 2.177 50 0 KEAARN O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000103128055 555296083 /nfs/dbraw/zinc/29/60/83/555296083.db2.gz YTKFBXOAKBFJQM-IBGZPJMESA-N 0 0 540.019 2.346 50 0 KEAARN O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000103128058 555296092 /nfs/dbraw/zinc/29/60/92/555296092.db2.gz YTKFBXOAKBFJQM-LJQANCHMSA-N 0 0 540.019 2.346 50 0 KEAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000103128421 555296549 /nfs/dbraw/zinc/29/65/49/555296549.db2.gz UBURXIHIPHOYLB-UHFFFAOYSA-N 0 0 536.050 2.430 50 0 KEAARN O=C(COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cn1 ZINC000103128431 555296524 /nfs/dbraw/zinc/29/65/24/555296524.db2.gz WMFJWYVXKLRVNP-UHFFFAOYSA-N 0 0 529.402 2.183 50 0 KEAARN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000103128445 555296544 /nfs/dbraw/zinc/29/65/44/555296544.db2.gz LKDMXBCMJNXEQF-UHFFFAOYSA-N 0 0 578.691 2.345 50 0 KEAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1OC ZINC000103128662 555297050 /nfs/dbraw/zinc/29/70/50/555297050.db2.gz RCEBLKPWYFVTTH-VWLOTQADSA-N 0 0 530.603 2.284 50 0 KEAARN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1OC ZINC000103128665 555297018 /nfs/dbraw/zinc/29/70/18/555297018.db2.gz RCEBLKPWYFVTTH-RUZDIDTESA-N 0 0 530.603 2.284 50 0 KEAARN O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103128758 555297002 /nfs/dbraw/zinc/29/70/02/555297002.db2.gz UNMOHLPSICRXIB-NDEPHWFRSA-N 0 0 548.621 2.336 50 0 KEAARN O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103128760 555297044 /nfs/dbraw/zinc/29/70/44/555297044.db2.gz UNMOHLPSICRXIB-MUUNZHRXSA-N 0 0 548.621 2.336 50 0 KEAARN Cn1c(N)c(C(=O)CSC2=NC(=Cc3ccco3)C(=O)N2c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O ZINC000103129329 555297688 /nfs/dbraw/zinc/29/76/88/555297688.db2.gz PTIGFHIYFCVAJQ-GDNBJRDFSA-N 0 0 531.497 2.220 50 0 KEAARN Cn1c(N)c(C(=O)CSC2=NC(=Cc3ccco3)C(=O)N2c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O ZINC000103129331 555297760 /nfs/dbraw/zinc/29/77/60/555297760.db2.gz PTIGFHIYFCVAJQ-XNTDXEJSSA-N 0 0 531.497 2.220 50 0 KEAARN CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccccc1 ZINC000103129586 555298250 /nfs/dbraw/zinc/29/82/50/555298250.db2.gz KQASTWDZXNBHLR-UHFFFAOYSA-N 0 0 534.598 2.067 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000103130756 555299757 /nfs/dbraw/zinc/29/97/57/555299757.db2.gz VGYJUIPTRNHQSK-INIZCTEOSA-N 0 0 548.058 2.456 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000103130760 555299762 /nfs/dbraw/zinc/29/97/62/555299762.db2.gz VGYJUIPTRNHQSK-MRXNPFEDSA-N 0 0 548.058 2.456 50 0 KEAARN COCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1cccc(C)c1 ZINC000103130766 555299801 /nfs/dbraw/zinc/29/98/01/555299801.db2.gz QIMROBNFFJSCLL-UHFFFAOYSA-N 0 0 578.651 2.002 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1I ZINC000103132033 555301513 /nfs/dbraw/zinc/30/15/13/555301513.db2.gz XQIMDZJBPPZDAN-CQSZACIVSA-N 0 0 573.409 2.150 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1I ZINC000103132036 555301496 /nfs/dbraw/zinc/30/14/96/555301496.db2.gz XQIMDZJBPPZDAN-AWEZNQCLSA-N 0 0 573.409 2.150 50 0 KEAARN COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1Cl ZINC000103132788 555302354 /nfs/dbraw/zinc/30/23/54/555302354.db2.gz MWYFJAUNKFLXMS-GDNBJRDFSA-N 0 0 529.962 2.281 50 0 KEAARN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000103132872 555302660 /nfs/dbraw/zinc/30/26/60/555302660.db2.gz VFPQKJAUWMFYRW-UHFFFAOYSA-N 0 0 534.571 2.324 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000103133005 555302711 /nfs/dbraw/zinc/30/27/11/555302711.db2.gz JJOLRMAIMDIXSV-UHFFFAOYSA-N 0 0 557.559 2.432 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(N)n(Cc2ccccc2)c1=O ZINC000103134328 555303980 /nfs/dbraw/zinc/30/39/80/555303980.db2.gz NNGXYQSHIRINKP-UHFFFAOYSA-N 0 0 555.016 2.237 50 0 KEAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O ZINC000103134426 555303996 /nfs/dbraw/zinc/30/39/96/555303996.db2.gz NZIRPZBYYBFUFK-KZULUSFZSA-N 0 0 533.024 2.405 50 0 KEAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O ZINC000103134428 555303969 /nfs/dbraw/zinc/30/39/69/555303969.db2.gz NZIRPZBYYBFUFK-XIKOKIGWSA-N 0 0 533.024 2.405 50 0 KEAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O ZINC000103134431 555304029 /nfs/dbraw/zinc/30/40/29/555304029.db2.gz NZIRPZBYYBFUFK-KPZWWZAWSA-N 0 0 533.024 2.405 50 0 KEAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O ZINC000103134433 555303956 /nfs/dbraw/zinc/30/39/56/555303956.db2.gz NZIRPZBYYBFUFK-SGTLLEGYSA-N 0 0 533.024 2.405 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2nn(CCC)c(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000103134498 555303961 /nfs/dbraw/zinc/30/39/61/555303961.db2.gz IDRKLHHGCKVDEP-UHFFFAOYSA-N 0 0 540.621 2.275 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000103134729 555304175 /nfs/dbraw/zinc/30/41/75/555304175.db2.gz LRYKDLVFALMKJX-KRWDZBQOSA-N 0 0 530.068 2.317 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000103134731 555304114 /nfs/dbraw/zinc/30/41/14/555304114.db2.gz LRYKDLVFALMKJX-QGZVFWFLSA-N 0 0 530.068 2.317 50 0 KEAARN CCOC(=O)CNC(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CCOC)S(=O)(=O)c2ccccc2)CC1 ZINC000103135232 555304845 /nfs/dbraw/zinc/30/48/45/555304845.db2.gz BBXSCSFAAJFJOK-UHFFFAOYSA-N 0 0 588.727 2.398 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)NC(=O)N[C@@H]1C ZINC000103135732 555305197 /nfs/dbraw/zinc/30/51/97/555305197.db2.gz ANZYFZMKSXNTQN-CYBMUJFWSA-N 0 0 528.543 2.216 50 0 KEAARN CCOC(=O)C1=C(COC(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)NC(=O)N[C@H]1C ZINC000103135733 555305493 /nfs/dbraw/zinc/30/54/93/555305493.db2.gz ANZYFZMKSXNTQN-ZDUSSCGKSA-N 0 0 528.543 2.216 50 0 KEAARN CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000103136282 555306331 /nfs/dbraw/zinc/30/63/31/555306331.db2.gz ZFOWEZKRCWRZJA-CYBMUJFWSA-N 0 0 529.464 2.120 50 0 KEAARN CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000103136285 555306296 /nfs/dbraw/zinc/30/62/96/555306296.db2.gz ZFOWEZKRCWRZJA-ZDUSSCGKSA-N 0 0 529.464 2.120 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O ZINC000103136957 555307268 /nfs/dbraw/zinc/30/72/68/555307268.db2.gz WSJXVMJYVGXRQG-OAQYLSRUSA-N 0 0 555.632 2.162 50 0 KEAARN CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O ZINC000103136959 555307204 /nfs/dbraw/zinc/30/72/04/555307204.db2.gz WSJXVMJYVGXRQG-NRFANRHFSA-N 0 0 555.632 2.162 50 0 KEAARN CN(C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000103137533 555307670 /nfs/dbraw/zinc/30/76/70/555307670.db2.gz FJDAWJLNAAOQHD-QGZVFWFLSA-N 0 0 525.612 2.232 50 0 KEAARN CN(C(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)[C@H]1CCS(=O)(=O)C1 ZINC000103137534 555307579 /nfs/dbraw/zinc/30/75/79/555307579.db2.gz FJDAWJLNAAOQHD-KRWDZBQOSA-N 0 0 525.612 2.232 50 0 KEAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(CC(C)C)c(=O)n(C)c4=O)cc3C2=O)cc1 ZINC000103137694 555307804 /nfs/dbraw/zinc/30/78/04/555307804.db2.gz ZZJNVQZPJCDYNK-UHFFFAOYSA-N 0 0 548.552 2.024 50 0 KEAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(Cc5ccccc5)c(=O)n(C)c4=O)cc3C2=O)cc1 ZINC000103137697 555307816 /nfs/dbraw/zinc/30/78/16/555307816.db2.gz UZQBNNNLPCLBGB-UHFFFAOYSA-N 0 0 582.569 2.417 50 0 KEAARN CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc(S(N)(=O)=O)c4)cc3C2=O)cc1 ZINC000103137709 555307808 /nfs/dbraw/zinc/30/78/08/555307808.db2.gz BSTSQQUBHKPORH-UHFFFAOYSA-N 0 0 523.523 2.329 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000103138607 555308433 /nfs/dbraw/zinc/30/84/33/555308433.db2.gz QPEJAPVZOSWHPM-UHFFFAOYSA-N 0 0 526.541 2.458 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000103138684 555308634 /nfs/dbraw/zinc/30/86/34/555308634.db2.gz IKKMEDDIZINPDL-UHFFFAOYSA-N 0 0 526.541 2.458 50 0 KEAARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000103138741 555308672 /nfs/dbraw/zinc/30/86/72/555308672.db2.gz JVTGDXONODSGBJ-UHFFFAOYSA-N 0 0 542.540 2.338 50 0 KEAARN O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103138968 555308905 /nfs/dbraw/zinc/30/89/05/555308905.db2.gz KTKRVXWNXBHGOZ-UHFFFAOYSA-N 0 0 534.594 2.142 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000103138999 555308911 /nfs/dbraw/zinc/30/89/11/555308911.db2.gz UZKHUEXXYCMKTP-UHFFFAOYSA-N 0 0 564.620 2.150 50 0 KEAARN COc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000103139349 1066387036 /nfs/dbraw/zinc/38/70/36/1066387036.db2.gz CEPKSWOWFIJCBC-NGNXSQLZSA-N 0 0 531.587 2.258 50 0 KEAARN COc1ccc(/C=C\C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000103139354 1066386942 /nfs/dbraw/zinc/38/69/42/1066386942.db2.gz CEPKSWOWFIJCBC-KPFINFFTSA-N 0 0 531.587 2.258 50 0 KEAARN O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103139446 555309296 /nfs/dbraw/zinc/30/92/96/555309296.db2.gz JYFKVMCNNPFVSL-UHFFFAOYSA-N 0 0 562.648 2.422 50 0 KEAARN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000103139640 555309568 /nfs/dbraw/zinc/30/95/68/555309568.db2.gz HMHBLMRKQGJXAA-QLODZENZSA-N 0 0 532.594 2.419 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000103139643 555309520 /nfs/dbraw/zinc/30/95/20/555309520.db2.gz HMHBLMRKQGJXAA-LEHBWIKQSA-N 0 0 532.594 2.419 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O ZINC000103139648 555309537 /nfs/dbraw/zinc/30/95/37/555309537.db2.gz HMHBLMRKQGJXAA-RYUVBPIJSA-N 0 0 532.594 2.419 50 0 KEAARN COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1 ZINC000103139723 555309553 /nfs/dbraw/zinc/30/95/53/555309553.db2.gz SFVOCCVONAMTAV-MHZLTWQESA-N 0 0 552.609 2.275 50 0 KEAARN COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)Nc4ccc(S(=O)(=O)N5CCOCC5)cc4)C3=O)ccc2c1 ZINC000103139726 555309525 /nfs/dbraw/zinc/30/95/25/555309525.db2.gz SFVOCCVONAMTAV-HHHXNRCGSA-N 0 0 552.609 2.275 50 0 KEAARN C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000103140307 555309986 /nfs/dbraw/zinc/30/99/86/555309986.db2.gz OHNAQNJMBQYCPK-DEOSSOPVSA-N 0 0 535.022 2.243 50 0 KEAARN C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000103140309 555309970 /nfs/dbraw/zinc/30/99/70/555309970.db2.gz OHNAQNJMBQYCPK-XMMPIXPASA-N 0 0 535.022 2.243 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000103140651 555310239 /nfs/dbraw/zinc/31/02/39/555310239.db2.gz PZSDMLWHFHWONM-UHFFFAOYSA-N 0 0 532.040 2.173 50 0 KEAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000103141472 555311117 /nfs/dbraw/zinc/31/11/17/555311117.db2.gz JBOMLXBNNBPWTP-UHFFFAOYSA-N 0 0 537.660 2.362 50 0 KEAARN CN(C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000103141646 555311405 /nfs/dbraw/zinc/31/14/05/555311405.db2.gz NTLGPBMOEFIHHE-UHFFFAOYSA-N 0 0 524.628 2.099 50 0 KEAARN COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000103141685 555311375 /nfs/dbraw/zinc/31/13/75/555311375.db2.gz XEGWJZFVEQHVPL-UHFFFAOYSA-N 0 0 626.761 2.235 50 0 KEAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000103142105 555311565 /nfs/dbraw/zinc/31/15/65/555311565.db2.gz DBADHXTWZFBDPK-QFIPXVFZSA-N 0 0 541.413 2.420 50 0 KEAARN C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000103142107 555311550 /nfs/dbraw/zinc/31/15/50/555311550.db2.gz DBADHXTWZFBDPK-JOCHJYFZSA-N 0 0 541.413 2.420 50 0 KEAARN CCCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(Cl)c1)C1CCN(C(=O)NCC(=O)OCC)CC1 ZINC000103145375 555312934 /nfs/dbraw/zinc/31/29/34/555312934.db2.gz PWFQNXUHBDHOFY-UHFFFAOYSA-N 0 0 575.128 2.094 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)C(C)(C)OC(C)=O)CC1 ZINC000103148982 555315521 /nfs/dbraw/zinc/31/55/21/555315521.db2.gz PRKUHZOCOGDSFS-UHFFFAOYSA-N 0 0 575.684 2.450 50 0 KEAARN COCCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CCOC)S(=O)(=O)c1ccc(OC)cc1 ZINC000103150131 555315945 /nfs/dbraw/zinc/31/59/45/555315945.db2.gz RLZCJAFLQBIWTF-UHFFFAOYSA-N 0 0 537.660 2.349 50 0 KEAARN CCCCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(S(=O)(=O)NCCN2CCOCC2)c1 ZINC000103157961 555320146 /nfs/dbraw/zinc/32/01/46/555320146.db2.gz BJFNLJLSLIZARM-UHFFFAOYSA-N 0 0 595.788 2.174 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3ccc(C)cc3)c2=O)CC1 ZINC000103160561 555320756 /nfs/dbraw/zinc/32/07/56/555320756.db2.gz CTIGKZQOKISNJS-UHFFFAOYSA-N 0 0 536.585 2.183 50 0 KEAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3cccc(F)c3)c2=O)C1 ZINC000103160959 555320953 /nfs/dbraw/zinc/32/09/53/555320953.db2.gz YDKZVQLNYDPAQE-GOSISDBHSA-N 0 0 540.548 2.014 50 0 KEAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3cccc(F)c3)c2=O)C1 ZINC000103160962 555320932 /nfs/dbraw/zinc/32/09/32/555320932.db2.gz YDKZVQLNYDPAQE-SFHVURJKSA-N 0 0 540.548 2.014 50 0 KEAARN CCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(OC)c(OC)c3)c(=O)n(Cc3ccccc3C)c2=O)CC1 ZINC000103164837 555322310 /nfs/dbraw/zinc/32/23/10/555322310.db2.gz VOKLWLLOBYMSIC-UHFFFAOYSA-N 0 0 536.585 2.183 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000103184087 555330041 /nfs/dbraw/zinc/33/00/41/555330041.db2.gz MTFFGNYFHQVPMQ-SFHVURJKSA-N 0 0 574.519 2.426 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000103184090 555330091 /nfs/dbraw/zinc/33/00/91/555330091.db2.gz MTFFGNYFHQVPMQ-GOSISDBHSA-N 0 0 574.519 2.426 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103184094 555330132 /nfs/dbraw/zinc/33/01/32/555330132.db2.gz OVRYFHCDVYVZRY-IBGZPJMESA-N 0 0 549.646 2.141 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000103184097 555330049 /nfs/dbraw/zinc/33/00/49/555330049.db2.gz OVRYFHCDVYVZRY-LJQANCHMSA-N 0 0 549.646 2.141 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000103184229 555330378 /nfs/dbraw/zinc/33/03/78/555330378.db2.gz HTWPJIOQHDLYKD-SFHVURJKSA-N 0 0 530.068 2.317 50 0 KEAARN COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000103184232 555330382 /nfs/dbraw/zinc/33/03/82/555330382.db2.gz HTWPJIOQHDLYKD-GOSISDBHSA-N 0 0 530.068 2.317 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C(=O)NCc3ccc4c(c3)OCO4)CC2)c1 ZINC000103185391 555331016 /nfs/dbraw/zinc/33/10/16/555331016.db2.gz XEOPICMZZBWBPK-UHFFFAOYSA-N 0 0 540.598 2.268 50 0 KEAARN COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000103190816 555333300 /nfs/dbraw/zinc/33/33/00/555333300.db2.gz OEIQSWJAVMZPCB-UHFFFAOYSA-N 0 0 533.585 2.318 50 0 KEAARN COCCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000103201984 555337560 /nfs/dbraw/zinc/33/75/60/555337560.db2.gz GEGWXHYDXLNZJK-UHFFFAOYSA-N 0 0 539.658 2.447 50 0 KEAARN COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)n2)CC1 ZINC000103208222 555339502 /nfs/dbraw/zinc/33/95/02/555339502.db2.gz ISDXYGZIYPWWGI-UHFFFAOYSA-N 0 0 553.063 2.482 50 0 KEAARN O=c1cc(CN2CCN(c3ccccc3F)CC2)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000103208298 555339508 /nfs/dbraw/zinc/33/95/08/555339508.db2.gz RYEHDSMHNYSLAJ-UHFFFAOYSA-N 0 0 547.056 2.396 50 0 KEAARN COCCNC(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O ZINC000103209141 555339303 /nfs/dbraw/zinc/33/93/03/555339303.db2.gz LMJNUGVAALFXLC-UHFFFAOYSA-N 0 0 536.654 2.432 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccco1)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000103228747 555341614 /nfs/dbraw/zinc/34/16/14/555341614.db2.gz BTZYIUPFBZCKMA-UHFFFAOYSA-N 0 0 536.608 2.389 50 0 KEAARN COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000103228773 555341625 /nfs/dbraw/zinc/34/16/25/555341625.db2.gz SETSYDBJYZSKSO-UHFFFAOYSA-N 0 0 538.475 2.438 50 0 KEAARN Cc1sc2ncn(CC(=O)NC[C@@H]3COc4ccccc4O3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000103229590 555341704 /nfs/dbraw/zinc/34/17/04/555341704.db2.gz NODXENFYMFCUKG-JFIYKMOQSA-N 0 0 546.671 2.389 50 0 KEAARN COc1ccc(-c2nc(N3CCN(CC(=O)N4CCOCC4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000103252897 555344793 /nfs/dbraw/zinc/34/47/93/555344793.db2.gz VYKSERNMSQXDNE-UHFFFAOYSA-N 0 0 558.643 2.063 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000103268674 555347964 /nfs/dbraw/zinc/34/79/64/555347964.db2.gz CJSQKCYQAOHDGO-RUZDIDTESA-N 0 0 558.657 2.224 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000103268677 555347862 /nfs/dbraw/zinc/34/78/62/555347862.db2.gz CJSQKCYQAOHDGO-VWLOTQADSA-N 0 0 558.657 2.224 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(OC)cc1 ZINC000103278624 555350397 /nfs/dbraw/zinc/35/03/97/555350397.db2.gz AYZMAZRVFMZSOW-UHFFFAOYSA-N 0 0 537.617 2.302 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000103280697 555351434 /nfs/dbraw/zinc/35/14/34/555351434.db2.gz OVOCSILZHFRLDB-UHFFFAOYSA-N 0 0 576.741 2.335 50 0 KEAARN O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(CCN2CCOCC2)C(=S)NC2CC2)n1C[C@@H]1CCCO1 ZINC000103283789 555351995 /nfs/dbraw/zinc/35/19/95/555351995.db2.gz AMORHSPORCRDNX-DEOSSOPVSA-N 0 0 565.737 2.346 50 0 KEAARN O=S(=O)(Cc1ccc(F)cc1)c1ncc(CN(CCN2CCOCC2)C(=S)NC2CC2)n1C[C@H]1CCCO1 ZINC000103283792 555351961 /nfs/dbraw/zinc/35/19/61/555351961.db2.gz AMORHSPORCRDNX-XMMPIXPASA-N 0 0 565.737 2.346 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000103283933 555352377 /nfs/dbraw/zinc/35/23/77/555352377.db2.gz PYUZJQSRNRRCFC-QHCPKHFHSA-N 0 0 537.658 2.039 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000103283938 555352380 /nfs/dbraw/zinc/35/23/80/555352380.db2.gz PYUZJQSRNRRCFC-HSZRJFAPSA-N 0 0 537.658 2.039 50 0 KEAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1ccc2c(c1)OCO2 ZINC000103287065 555353436 /nfs/dbraw/zinc/35/34/36/555353436.db2.gz OOIFDNKCTLWHAG-UHFFFAOYSA-N 0 0 577.045 2.428 50 0 KEAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)COc4ccccc4)CC3)n2)CC1 ZINC000103295326 555354217 /nfs/dbraw/zinc/35/42/17/555354217.db2.gz XAMDEGJKPDCUIX-UHFFFAOYSA-N 0 0 553.063 2.482 50 0 KEAARN CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1 ZINC000103297739 555355168 /nfs/dbraw/zinc/35/51/68/555355168.db2.gz FWLMVFUGMHIOAA-UHFFFAOYSA-N 0 0 510.502 2.397 50 0 investigational KEAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCN(CC(=O)N3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000103318510 555358390 /nfs/dbraw/zinc/35/83/90/555358390.db2.gz LDMBRXOUQKEDOG-UHFFFAOYSA-N 0 0 552.561 2.463 50 0 KEAARN COc1ccc(-n2nc3nc(N4CCN(CC(=O)N5CCOCC5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000103318515 555358655 /nfs/dbraw/zinc/35/86/55/555358655.db2.gz NOJVTLSBKKXZBC-UHFFFAOYSA-N 0 0 546.607 2.193 50 0 KEAARN COCCN(CCC(=O)NCc1ccc2c(c1)OCO2)C(=O)c1cc2n(n1)CCCN(Cc1ccccc1)C2=O ZINC000103319801 555358702 /nfs/dbraw/zinc/35/87/02/555358702.db2.gz HCHRCVDAOIVOAC-UHFFFAOYSA-N 0 0 547.612 2.453 50 0 KEAARN COc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4c(OC)cccc4OC)CC3)n2)CC1 ZINC000103330640 555359317 /nfs/dbraw/zinc/35/93/17/555359317.db2.gz RZNRKNXWBXUCLP-UHFFFAOYSA-N 0 0 548.644 2.080 50 0 KEAARN COc1cccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)COc5ccc(Cl)cc5)CC4)n3)CC2)c1 ZINC000103330697 555359290 /nfs/dbraw/zinc/35/92/90/555359290.db2.gz SYHAJKGTHHCRST-UHFFFAOYSA-N 0 0 553.063 2.482 50 0 KEAARN COCCn1c(CN(CCN2CCOCC2)C(=O)NC(C)C)cnc1S(=O)(=O)Cc1ccccc1Cl ZINC000103345473 555362175 /nfs/dbraw/zinc/36/21/75/555362175.db2.gz UINXARTZUZIRHD-UHFFFAOYSA-N 0 0 542.102 2.409 50 0 KEAARN CCNC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000103346350 555362223 /nfs/dbraw/zinc/36/22/23/555362223.db2.gz HYUAZEZDYBVWAU-QHCPKHFHSA-N 0 0 553.726 2.204 50 0 KEAARN CCNC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000103346353 555362128 /nfs/dbraw/zinc/36/21/28/555362128.db2.gz HYUAZEZDYBVWAU-HSZRJFAPSA-N 0 0 553.726 2.204 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000103346549 555362249 /nfs/dbraw/zinc/36/22/49/555362249.db2.gz DFHYDRITBYHFOM-QFIPXVFZSA-N 0 0 537.658 2.039 50 0 KEAARN CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000103346551 555362157 /nfs/dbraw/zinc/36/21/57/555362157.db2.gz DFHYDRITBYHFOM-JOCHJYFZSA-N 0 0 537.658 2.039 50 0 KEAARN CCNC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1 ZINC000103346578 555362164 /nfs/dbraw/zinc/36/21/64/555362164.db2.gz ZJZVJQNEOAZOPK-QFIPXVFZSA-N 0 0 553.726 2.204 50 0 KEAARN CCNC(=S)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1 ZINC000103346582 555362245 /nfs/dbraw/zinc/36/22/45/555362245.db2.gz ZJZVJQNEOAZOPK-JOCHJYFZSA-N 0 0 553.726 2.204 50 0 KEAARN O=C(CN(CCN1CCOCC1)C(=O)c1ccc2c(c1)OCO2)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000103372378 555367422 /nfs/dbraw/zinc/36/74/22/555367422.db2.gz RIRYLHZBHDFRSU-UHFFFAOYSA-N 0 0 572.666 2.386 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)c1 ZINC000103373761 555368718 /nfs/dbraw/zinc/36/87/18/555368718.db2.gz YPRWAZULKPRUDX-UHFFFAOYSA-N 0 0 594.738 2.132 50 0 KEAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)S(=O)(=O)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000103375968 555370132 /nfs/dbraw/zinc/37/01/32/555370132.db2.gz YPULSCFRYXUBND-UHFFFAOYSA-N 0 0 578.739 2.432 50 0 KEAARN COc1cccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)c1 ZINC000103381495 555371780 /nfs/dbraw/zinc/37/17/80/555371780.db2.gz ODUXKYWWQUGTKT-UHFFFAOYSA-N 0 0 588.665 2.004 50 0 KEAARN COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000103390099 555375731 /nfs/dbraw/zinc/37/57/31/555375731.db2.gz FFJJEYJKZCOQIJ-UHFFFAOYSA-N 0 0 563.611 2.327 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1 ZINC000103395359 555380189 /nfs/dbraw/zinc/38/01/89/555380189.db2.gz DZZZAZQTQBLDOO-SANMLTNESA-N 0 0 538.645 2.497 50 0 KEAARN COCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1 ZINC000103395361 555380204 /nfs/dbraw/zinc/38/02/04/555380204.db2.gz DZZZAZQTQBLDOO-AREMUKBSSA-N 0 0 538.645 2.497 50 0 KEAARN NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2S(=O)(=O)N2CCOCC2)CC1 ZINC000103403185 555389274 /nfs/dbraw/zinc/38/92/74/555389274.db2.gz GPFXCVCVHQNRQZ-UHFFFAOYSA-N 0 0 551.463 2.424 50 0 KEAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CCN4CCOCC4)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1OC ZINC000103405898 555392355 /nfs/dbraw/zinc/39/23/55/555392355.db2.gz ITSNSGOQNLFHCT-UHFFFAOYSA-N 0 0 618.691 2.013 50 0 KEAARN COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2CCN(c3ccc(-c4ccc(OC)c(OC)c4)nn3)CC2)cc1 ZINC000103405919 555392466 /nfs/dbraw/zinc/39/24/66/555392466.db2.gz OCGMZDHRKRVGQC-UHFFFAOYSA-N 0 0 604.708 2.293 50 0 KEAARN COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1N1CCN(C(=O)c2ccno2)CC1 ZINC000103436569 555418262 /nfs/dbraw/zinc/41/82/62/555418262.db2.gz CVHIVVBLHCMPQR-UHFFFAOYSA-N 0 0 542.614 2.410 50 0 KEAARN Cc1c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000103527400 555429082 /nfs/dbraw/zinc/42/90/82/555429082.db2.gz CHBDVMRGZGGYEG-HEIROHQZSA-N 0 0 575.662 2.457 50 0 biogenic KEAARN Cc1c2ccc(OCC(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000103527403 555429031 /nfs/dbraw/zinc/42/90/31/555429031.db2.gz CHBDVMRGZGGYEG-JPQMRUPTSA-N 0 0 575.662 2.457 50 0 biogenic KEAARN COC(=O)C12CCC(CC1)[C@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](C3=O)C3(C(=O)OC)CCC4CC3)C(=O)[C@H]12 ZINC000103553120 555444881 /nfs/dbraw/zinc/44/48/81/555444881.db2.gz ADLRANCHRAKKIO-TUSIJJDXSA-N 0 0 556.656 2.476 50 0 KEAARN COC(=O)C12CCC(CC1)[C@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@@H](C3=O)C3CCC4(C(=O)OC)CC3)C(=O)[C@H]12 ZINC000103553133 555444738 /nfs/dbraw/zinc/44/47/38/555444738.db2.gz ADLRANCHRAKKIO-ALYVAULWSA-N 0 0 556.656 2.476 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103567059 555450378 /nfs/dbraw/zinc/45/03/78/555450378.db2.gz LVMHPRIXWLGHEH-GJISQHIDSA-N 0 0 582.679 2.169 50 0 KEAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103567065 555450456 /nfs/dbraw/zinc/45/04/56/555450456.db2.gz LVMHPRIXWLGHEH-YVVITCHPSA-N 0 0 582.679 2.169 50 0 KEAARN CC(=O)Nc1c(C)c(CNC(=O)CSc2nnc(N)s2)c(C)c(CNC(=O)CSc2nnc(N)s2)c1C ZINC000103650194 555460708 /nfs/dbraw/zinc/46/07/08/555460708.db2.gz LTVJKEZZWNJXOR-UHFFFAOYSA-N 0 0 581.775 2.255 50 0 KEAARN COC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000104101107 571373917 /nfs/dbraw/zinc/37/39/17/571373917.db2.gz AXFFJYHLEIHFCU-DNQXCXABSA-N 0 0 629.671 2.122 50 0 KEAARN COC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000104101112 571373914 /nfs/dbraw/zinc/37/39/14/571373914.db2.gz AXFFJYHLEIHFCU-RPWUZVMVSA-N 0 0 629.671 2.122 50 0 KEAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1N ZINC000104406509 571380928 /nfs/dbraw/zinc/38/09/28/571380928.db2.gz QEXPANLFCOMRHF-UHFFFAOYSA-N 0 0 539.039 2.073 50 0 KEAARN O=C(NCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104920166 571387695 /nfs/dbraw/zinc/38/76/95/571387695.db2.gz IBJBHMBYWOJSLW-TZIWHRDSSA-N 0 0 506.525 2.250 50 0 KEAARN O=C(NCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 ZINC000104920170 571387729 /nfs/dbraw/zinc/38/77/29/571387729.db2.gz IBJBHMBYWOJSLW-PZJWPPBQSA-N 0 0 506.525 2.250 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000104945416 571388445 /nfs/dbraw/zinc/38/84/45/571388445.db2.gz GFRZURMJGXGLDA-GAJHUEQPSA-N 0 0 517.627 2.341 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000104945560 571388492 /nfs/dbraw/zinc/38/84/92/571388492.db2.gz PNLJXRTXXHKWNE-GAJHUEQPSA-N 0 0 517.627 2.341 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000104945844 571388489 /nfs/dbraw/zinc/38/84/89/571388489.db2.gz GIOBKLPPXOMIMR-HTAPYJJXSA-N 0 0 517.627 2.341 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105367549 571404509 /nfs/dbraw/zinc/40/45/09/571404509.db2.gz NWOGROLFEFUITG-DJOAIXOZSA-N 0 0 576.526 2.419 50 0 biogenic KEAARN Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000105960396 571409559 /nfs/dbraw/zinc/40/95/59/571409559.db2.gz LTXONJIMBSIFMY-UHFFFAOYSA-N 0 0 548.666 2.483 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)[C@H](C)O5)C3)CC2)c1 ZINC000106303925 571411791 /nfs/dbraw/zinc/41/17/91/571411791.db2.gz BQBJFFRVPNQFML-VQTJNVASSA-N 0 0 542.658 2.473 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc5c(cc4C)NC(=O)[C@H](C)O5)C3)CC2)c1 ZINC000106303929 571411738 /nfs/dbraw/zinc/41/17/38/571411738.db2.gz BQBJFFRVPNQFML-PMACEKPBSA-N 0 0 542.658 2.473 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000106303944 571411729 /nfs/dbraw/zinc/41/17/29/571411729.db2.gz ODWNNBBBWGGUIW-PMACEKPBSA-N 0 0 512.632 2.464 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C1)O[C@@H](C)C(=O)N2 ZINC000106303949 571411794 /nfs/dbraw/zinc/41/17/94/571411794.db2.gz SSWUAKALFSAUBZ-DOTOQJQBSA-N 0 0 501.561 2.160 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C1)O[C@@H](C)C(=O)N2 ZINC000106303953 571411766 /nfs/dbraw/zinc/41/17/66/571411766.db2.gz SSWUAKALFSAUBZ-RDJZCZTQSA-N 0 0 501.561 2.160 50 0 KEAARN Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1 ZINC000108447320 571423580 /nfs/dbraw/zinc/42/35/80/571423580.db2.gz BNYBUTCVPIZYGY-WJNCPCKPSA-N 0 0 556.531 2.426 50 0 biogenic KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447866 571423958 /nfs/dbraw/zinc/42/39/58/571423958.db2.gz BZWLWVYYFZVCBH-QHCPKHFHSA-N 0 0 616.737 2.159 50 0 biogenic KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449759 193924776 /nfs/dbraw/zinc/92/47/76/193924776.db2.gz WRFAQYGEBZRJJL-QHCPKHFHSA-N 0 0 610.689 2.239 50 0 biogenic KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450847 571425491 /nfs/dbraw/zinc/42/54/91/571425491.db2.gz UNGNSRMJTQHXCK-KNQAVFIVSA-N 0 0 587.695 2.358 50 0 biogenic KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450850 571425461 /nfs/dbraw/zinc/42/54/61/571425461.db2.gz UNGNSRMJTQHXCK-UGKGYDQZSA-N 0 0 587.695 2.358 50 0 biogenic KEAARN COc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)C2=O)cc1OC ZINC000108940086 571427749 /nfs/dbraw/zinc/42/77/49/571427749.db2.gz JTJKOYLTVGCCAK-SHACYNPGSA-N 0 0 501.561 2.064 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@H](C)O1 ZINC000108941225 571427682 /nfs/dbraw/zinc/42/76/82/571427682.db2.gz OOGUZDXXRMUGQB-WNGDZKDKSA-N 0 0 572.640 2.052 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCCCO5)C3=O)cc2)C[C@@H](C)O1 ZINC000108941229 571427686 /nfs/dbraw/zinc/42/76/86/571427686.db2.gz OOGUZDXXRMUGQB-URAKLDTCSA-N 0 0 572.640 2.052 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000110557651 571431547 /nfs/dbraw/zinc/43/15/47/571431547.db2.gz ZFKVWNUPWMEURA-QXQSRQBGSA-N 0 0 557.552 2.079 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000110557666 571431561 /nfs/dbraw/zinc/43/15/61/571431561.db2.gz LLLNTXZITKTKCA-QXQSRQBGSA-N 0 0 557.552 2.079 50 0 KEAARN COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000110994155 571431913 /nfs/dbraw/zinc/43/19/13/571431913.db2.gz SISGBWZDEMMSLV-QMDPOKHVSA-N 0 0 534.359 2.042 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@H](C)[C@@H]1O ZINC000123352821 571448638 /nfs/dbraw/zinc/44/86/38/571448638.db2.gz SOPZOCCINHAAOP-ZRKFOFJASA-N 0 0 550.689 2.081 50 0 KEAARN O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000135642027 571448663 /nfs/dbraw/zinc/44/86/63/571448663.db2.gz LERDBTVHIISUTB-UHFFFAOYSA-N 0 0 549.696 2.073 50 0 KEAARN CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C/C=C/C(=O)OCC[C@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@]31CO1 ZINC000136615818 571449687 /nfs/dbraw/zinc/44/96/87/571449687.db2.gz NLUGUZJQJYVUHS-LLRDHYDLSA-N 0 0 502.560 2.171 50 0 KEAARN Cc1ccc(S(=O)(=O)N2CCOCCOCCOCCOCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000138183770 571451106 /nfs/dbraw/zinc/45/11/06/571451106.db2.gz IQIAAKUYOBFMLT-UHFFFAOYSA-N 0 0 570.730 2.065 50 0 KEAARN COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O ZINC000138826869 571452237 /nfs/dbraw/zinc/45/22/37/571452237.db2.gz DMLKUPXKUQREOC-MHQFVSHOSA-N 0 0 575.412 2.186 50 0 KEAARN COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 ZINC000139150330 571453123 /nfs/dbraw/zinc/45/31/23/571453123.db2.gz OSPUWYWJNWIARF-XYPQWYOHSA-N 0 0 604.561 2.124 50 0 KEAARN CC(C)(C)c1cc(Br)cc([C@H](CC(=O)[O-])NC(=O)CNC(=O)c2cc(O)cc(NC3=[NH+]C[C@@H](O)CN3)c2)c1 ZINC000146485349 562838605 /nfs/dbraw/zinc/83/86/05/562838605.db2.gz YDHAGPCZRFQPOI-NRFANRHFSA-N 0 0 590.475 2.246 50 0 in-vitro KEAARN COc1cc2ccc(/C=C/c3ccccc3N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)nc2c(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c1 ZINC000150345005 571459725 /nfs/dbraw/zinc/45/97/25/571459725.db2.gz LEFGNZVSFRGPIG-ZRDIBKRKSA-N 0 0 811.750 2.282 50 0 KEAARN CCC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(=O)CC)O[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]2OC(=O)CC)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CC ZINC000150346758 571460659 /nfs/dbraw/zinc/46/06/59/571460659.db2.gz DQEFEBPAPFSJLV-WLTGXWPBSA-N 0 0 790.809 2.290 50 0 KEAARN CCn1c(N2CCN(C[C@H](O)COc3c(Br)cc(Br)cc3Br)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000150376943 571466488 /nfs/dbraw/zinc/46/64/88/571466488.db2.gz JCHOESILGISCKB-ZDUSSCGKSA-N 0 0 665.181 2.293 50 0 KEAARN CCn1c(N2CCN(C[C@@H](O)COc3c(Br)cc(Br)cc3Br)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000150376945 571466509 /nfs/dbraw/zinc/46/65/09/571466509.db2.gz JCHOESILGISCKB-CYBMUJFWSA-N 0 0 665.181 2.293 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000150385783 571468942 /nfs/dbraw/zinc/46/89/42/571468942.db2.gz NFHIYWBQQDBMPJ-GNRLCUHXSA-N 0 0 650.731 2.453 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150385784 571468962 /nfs/dbraw/zinc/46/89/62/571468962.db2.gz NFHIYWBQQDBMPJ-GAZVVYGOSA-N 0 0 650.731 2.453 50 0 KEAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 ZINC000150386873 571469454 /nfs/dbraw/zinc/46/94/54/571469454.db2.gz QDXFDPNGVBPRHC-RNPORBBMSA-N 0 0 680.890 2.313 50 0 KEAARN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCOCCOCCN(C(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)CCOCC2)C(C)C)cc1 ZINC000150386884 571469574 /nfs/dbraw/zinc/46/95/74/571469574.db2.gz QSDRDNPBRVFEFS-MEKGRNQZSA-N 0 0 724.943 2.330 50 0 KEAARN Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2cccc(C)c2)s1 ZINC000150387511 571470079 /nfs/dbraw/zinc/47/00/79/571470079.db2.gz ODNMGPSEFSOCQU-UHFFFAOYSA-N 0 0 628.762 2.417 50 0 KEAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)Nc1nnc(C)s1 ZINC000150387513 571470119 /nfs/dbraw/zinc/47/01/19/571470119.db2.gz UFXHBBFSHKXFQU-UHFFFAOYSA-N 0 0 644.761 2.118 50 0 KEAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc2SCC(=O)Nc2nnc(C)s2)c1 ZINC000150387517 571470054 /nfs/dbraw/zinc/47/00/54/571470054.db2.gz IKTWYGKAQURCAX-UHFFFAOYSA-N 0 0 632.750 2.356 50 0 KEAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nnc(C)s2)c1 ZINC000150387525 571470107 /nfs/dbraw/zinc/47/01/07/571470107.db2.gz RFPZDTJLHPNYEW-UHFFFAOYSA-N 0 0 674.787 2.126 50 0 KEAARN NS(=O)(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4ccc(S(N)(=O)=O)cc4)C5=O)cc3C2=O)cc1 ZINC000150388702 571471137 /nfs/dbraw/zinc/47/11/37/571471137.db2.gz DBPCVHHWBHXQMU-UHFFFAOYSA-N 0 0 618.605 2.375 50 0 KEAARN COc1ccc(CCNC(=O)CCn2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc3c2=O)cc1OC ZINC000150388830 571471164 /nfs/dbraw/zinc/47/11/64/571471164.db2.gz FJTQFDAOHBUUDO-UHFFFAOYSA-N 0 0 653.783 2.261 50 0 KEAARN COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000150398127 571477120 /nfs/dbraw/zinc/47/71/20/571477120.db2.gz MKWWCDNXUXCHJM-IBGZPJMESA-N 0 0 638.772 2.378 50 0 KEAARN COCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCC3)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000150398130 571477092 /nfs/dbraw/zinc/47/70/92/571477092.db2.gz MKWWCDNXUXCHJM-LJQANCHMSA-N 0 0 638.772 2.378 50 0 KEAARN CCCCn1c(CCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000150402243 571478382 /nfs/dbraw/zinc/47/83/82/571478382.db2.gz RHAQMBMTGFCXFQ-UHFFFAOYSA-N 0 0 691.829 2.301 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CCC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000150406925 571480013 /nfs/dbraw/zinc/48/00/13/571480013.db2.gz XOPXGWXBPUWZIE-XMMPIXPASA-N 0 0 662.750 2.210 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CCC(=O)NCc4ccc5c(c4)OCO5)C(=O)N32)cc1 ZINC000150406932 571480064 /nfs/dbraw/zinc/48/00/64/571480064.db2.gz XOPXGWXBPUWZIE-DEOSSOPVSA-N 0 0 662.750 2.210 50 0 KEAARN COc1cc(OC)c(N(C)C(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1Cl ZINC000150407526 571480265 /nfs/dbraw/zinc/48/02/65/571480265.db2.gz AAODXZMZCUGARG-UHFFFAOYSA-N 0 0 634.140 2.401 50 0 KEAARN CCOc1ccc(CCNC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ncccn5)CC4)c3c2=O)cc1OCC ZINC000150407531 571480307 /nfs/dbraw/zinc/48/03/07/571480307.db2.gz AVFHJFWBQQDUPY-UHFFFAOYSA-N 0 0 641.776 2.224 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000150407538 571480245 /nfs/dbraw/zinc/48/02/45/571480245.db2.gz CWADUMRQUWVGBI-UHFFFAOYSA-N 0 0 662.720 2.435 50 0 KEAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000150408194 571480556 /nfs/dbraw/zinc/48/05/56/571480556.db2.gz HRRSFOABKPFDJR-UHFFFAOYSA-N 0 0 659.772 2.423 50 0 KEAARN COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1SCC(=O)Nc1nccs1 ZINC000150408599 571481027 /nfs/dbraw/zinc/48/10/27/571481027.db2.gz CEKSXKSUCSMPIW-UHFFFAOYSA-N 0 0 629.746 2.414 50 0 KEAARN Cc1sc2ncn(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000150408727 571481069 /nfs/dbraw/zinc/48/10/69/571481069.db2.gz CDSIYMTWRIMROD-UHFFFAOYSA-N 0 0 643.195 2.378 50 0 KEAARN COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 ZINC000150423650 571488850 /nfs/dbraw/zinc/48/88/50/571488850.db2.gz YFSNUJFTZCWZGG-AREMUKBSSA-N 0 0 648.767 2.490 50 0 KEAARN COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 ZINC000150423657 571488720 /nfs/dbraw/zinc/48/87/20/571488720.db2.gz YFSNUJFTZCWZGG-SANMLTNESA-N 0 0 648.767 2.490 50 0 KEAARN COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 ZINC000150425069 571489547 /nfs/dbraw/zinc/48/95/47/571489547.db2.gz ZYCGPRJMVWRFRO-RUZDIDTESA-N 0 0 634.740 2.100 50 0 KEAARN COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N3C2=O)cc1 ZINC000150425072 571489510 /nfs/dbraw/zinc/48/95/10/571489510.db2.gz ZYCGPRJMVWRFRO-VWLOTQADSA-N 0 0 634.740 2.100 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000150425546 571489873 /nfs/dbraw/zinc/48/98/73/571489873.db2.gz XPMUAXXTKLKWRW-UHFFFAOYSA-N 0 0 643.769 2.382 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000150426660 1066355374 /nfs/dbraw/zinc/35/53/74/1066355374.db2.gz NFHIYWBQQDBMPJ-HMUDIZEXSA-N 0 0 650.731 2.453 50 0 KEAARN COC(=O)C1=c2sc(=Cc3ccc(OC)c(OC)c3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150426668 1066355810 /nfs/dbraw/zinc/35/58/10/1066355810.db2.gz NFHIYWBQQDBMPJ-PKVQIGPHSA-N 0 0 650.731 2.453 50 0 KEAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc2n[nH]cc2c1 ZINC000150437565 571496848 /nfs/dbraw/zinc/49/68/48/571496848.db2.gz NULNEKWPAMYFBN-UHFFFAOYSA-N 0 0 639.712 2.092 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCn2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc3ccccc3c2=O)cc1 ZINC000150443789 571499541 /nfs/dbraw/zinc/49/95/41/571499541.db2.gz FKEMSUDFGLOQQS-UHFFFAOYSA-N 0 0 863.038 2.003 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1 ZINC000150444493 571499675 /nfs/dbraw/zinc/49/96/75/571499675.db2.gz IENJRRVIKYWZGE-UHFFFAOYSA-N 0 0 681.749 2.049 50 0 KEAARN O=c1n(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c2ccccc2n1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000150449188 571501659 /nfs/dbraw/zinc/50/16/59/571501659.db2.gz RMAJZQDKCUGABI-UHFFFAOYSA-N 0 0 754.888 2.054 50 0 KEAARN NS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000150480115 571511982 /nfs/dbraw/zinc/51/19/82/571511982.db2.gz SFVRKTNAENTVMB-UHFFFAOYSA-N 0 0 661.784 2.408 50 0 KEAARN CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000150480151 571511987 /nfs/dbraw/zinc/51/19/87/571511987.db2.gz CUHVRZXBQZGONF-XYFQYJLHSA-N 0 0 676.858 2.473 50 0 KEAARN CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000150480157 571511965 /nfs/dbraw/zinc/51/19/65/571511965.db2.gz CUHVRZXBQZGONF-HVIPQOSHSA-N 0 0 676.858 2.473 50 0 KEAARN CC1(C)C[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000150480163 571511973 /nfs/dbraw/zinc/51/19/73/571511973.db2.gz CUHVRZXBQZGONF-IEWVHIKDSA-N 0 0 676.858 2.473 50 0 KEAARN CC1(C)C[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@](C)(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000150480170 571511879 /nfs/dbraw/zinc/51/18/79/571511879.db2.gz CUHVRZXBQZGONF-DICHSLLOSA-N 0 0 676.858 2.473 50 0 KEAARN COC(=O)Cn1c(=O)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2c(C)n(C)n(-c3ccccc3)c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000150497295 571518280 /nfs/dbraw/zinc/51/82/80/571518280.db2.gz WWFNASMPMPKBLE-UHFFFAOYSA-N 0 0 693.742 2.285 50 0 KEAARN O=C(c1ccccc1)N1CCN(c2ncnc(N3CCN(c4ncnc(N5CCN(C(=O)c6ccccc6)CC5)c4[N+](=O)[O-])CC3)c2[N+](=O)[O-])CC1 ZINC000150497362 1066427114 /nfs/dbraw/zinc/42/71/14/1066427114.db2.gz NEMAICUVNHFCSB-UHFFFAOYSA-N 0 0 708.740 2.334 50 0 KEAARN O=S(=O)(c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000150512856 571519971 /nfs/dbraw/zinc/51/99/71/571519971.db2.gz QJFLNHKYSISGKR-RNPORBBMSA-N 0 0 688.851 2.433 50 0 KEAARN O=S(=O)(c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1)c1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000150512857 571519929 /nfs/dbraw/zinc/51/99/29/571519929.db2.gz QJFLNHKYSISGKR-LOYHVIPDSA-N 0 0 688.851 2.433 50 0 KEAARN O=S(=O)(c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 ZINC000150512860 571519911 /nfs/dbraw/zinc/51/99/11/571519911.db2.gz QJFLNHKYSISGKR-KYJUHHDHSA-N 0 0 688.851 2.433 50 0 KEAARN COc1ccc(CCc2nnc(S[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)n2C2CC2)cc1OC ZINC000150660466 571527193 /nfs/dbraw/zinc/52/71/93/571527193.db2.gz XVSXFCBNDHDIJH-LZEBPPIWSA-N 0 0 634.708 2.164 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000150662868 571528000 /nfs/dbraw/zinc/52/80/00/571528000.db2.gz PFBLKVNVZYAFHC-MPFGFTFXSA-N 0 0 661.756 2.249 50 0 KEAARN CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O ZINC000150662870 571528013 /nfs/dbraw/zinc/52/80/13/571528013.db2.gz PFBLKVNVZYAFHC-NLDZOOGBSA-N 0 0 661.756 2.249 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CNC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000150682887 571529041 /nfs/dbraw/zinc/52/90/41/571529041.db2.gz AVSHDWPJCNVDBH-SWIJEOLNSA-N 0 0 664.847 2.468 50 0 KEAARN COc1ccc(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000169616017 571553506 /nfs/dbraw/zinc/55/35/06/571553506.db2.gz SOAYYDUFICWSIT-XDZVQPMWSA-N 0 0 588.566 2.008 50 0 KEAARN COc1ccc(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000169616018 571553653 /nfs/dbraw/zinc/55/36/53/571553653.db2.gz SOAYYDUFICWSIT-POTDNYQPSA-N 0 0 588.566 2.008 50 0 KEAARN COc1ccc(NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000169616019 571553687 /nfs/dbraw/zinc/55/36/87/571553687.db2.gz SOAYYDUFICWSIT-VEYUFSJPSA-N 0 0 588.566 2.008 50 0 KEAARN CC(=O)O[C@@H](C(=O)NC1CCCCCC1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC1CCCCCC1 ZINC000169616028 571553675 /nfs/dbraw/zinc/55/36/75/571553675.db2.gz XQZLNYADHFMINB-POTDNYQPSA-N 0 0 568.664 2.391 50 0 KEAARN CC(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=O)Nc1ccc(F)cc1 ZINC000169616031 571553561 /nfs/dbraw/zinc/55/35/61/571553561.db2.gz HYVFXXNGZULTPQ-YCAMKHIRSA-N 0 0 564.494 2.269 50 0 KEAARN COC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)/N=C/C(=O)N[C@H](C(=O)OC)Cc2c[nH]c3cccc(c23)/N=C/C(=O)N1 ZINC000169666424 571554551 /nfs/dbraw/zinc/55/45/51/571554551.db2.gz NYMSKNZKHDUWBE-GCQZKDJISA-N 0 0 542.552 2.168 50 0 KEAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@@H]12 ZINC000169677905 571555553 /nfs/dbraw/zinc/55/55/53/571555553.db2.gz CPYRVTMKQBVJDQ-IRLDBZIGSA-N 0 0 504.557 2.201 50 0 KEAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@@H](O)COCc3ccccc3)CCO2)cc1 ZINC000169678822 571555903 /nfs/dbraw/zinc/55/59/03/571555903.db2.gz MPFFYFPJMOEVQO-VSGBNLITSA-N 0 0 511.663 2.048 50 0 KEAARN Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2CN(C[C@@H](O)COc3ccc(F)cc3)CCO2)cc1 ZINC000169679717 571556565 /nfs/dbraw/zinc/55/65/65/571556565.db2.gz QQQPRALHFIAQOB-XNMGPUDCSA-N 0 0 515.626 2.049 50 0 KEAARN CCCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3OC)NC(=O)N2C)C[C@@H]1C ZINC000169679943 571556782 /nfs/dbraw/zinc/55/67/82/571556782.db2.gz GZBSHTUOKZWUPK-HTAPYJJXSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3OC)NC(=O)N2CC)C[C@@H]1C ZINC000169679953 571556781 /nfs/dbraw/zinc/55/67/81/571556781.db2.gz IUJALVYKLNOGOG-HTAPYJJXSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)C[C@@H]1C ZINC000169681887 571557764 /nfs/dbraw/zinc/55/77/64/571557764.db2.gz HZWFXAIHQLSUDU-GAJHUEQPSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)C[C@@H]1C ZINC000169682011 571557769 /nfs/dbraw/zinc/55/77/69/571557769.db2.gz KUJOVZSBYVTYAB-GAJHUEQPSA-N 0 0 517.627 2.343 50 0 KEAARN Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C1)O[C@@H](C)C(=O)N2 ZINC000169683578 571558168 /nfs/dbraw/zinc/55/81/68/571558168.db2.gz ODWNNBBBWGGUIW-VQTJNVASSA-N 0 0 512.632 2.464 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@@H](c5nc(C6CCOCC6)no5)C4)CC3)cc2oc1=O ZINC000169779869 1066356664 /nfs/dbraw/zinc/35/66/64/1066356664.db2.gz IBLOHSUFZUONPW-LJQANCHMSA-N 0 0 559.645 2.215 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC[C@H](c5nc(C6CCOCC6)no5)C4)CC3)cc2oc1=O ZINC000169779870 1066356643 /nfs/dbraw/zinc/35/66/43/1066356643.db2.gz IBLOHSUFZUONPW-IBGZPJMESA-N 0 0 559.645 2.215 50 0 KEAARN CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](c4nc(C5CCOCC5)no4)C3)CC2)CC1 ZINC000169779885 1066356851 /nfs/dbraw/zinc/35/68/51/1066356851.db2.gz XZKIJZPBMPCHTI-OAQYLSRUSA-N 0 0 509.673 2.358 50 0 KEAARN CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](c4nc(C5CCOCC5)no4)C3)CC2)CC1 ZINC000169779886 1066356798 /nfs/dbraw/zinc/35/67/98/1066356798.db2.gz XZKIJZPBMPCHTI-NRFANRHFSA-N 0 0 509.673 2.358 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@@H](c4nc(C5CCOCC5)no4)C3)ccc21 ZINC000169779889 1066356677 /nfs/dbraw/zinc/35/66/77/1066356677.db2.gz REIQLLCFZAKKMU-HXUWFJFHSA-N 0 0 516.620 2.443 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@H](c4nc(C5CCOCC5)no4)C3)ccc21 ZINC000169779890 1066356752 /nfs/dbraw/zinc/35/67/52/1066356752.db2.gz REIQLLCFZAKKMU-FQEVSTJZSA-N 0 0 516.620 2.443 50 0 KEAARN CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(c4nc(C5CCOCC5)no4)CC3)CC2)CC1 ZINC000169779936 1066356768 /nfs/dbraw/zinc/35/67/68/1066356768.db2.gz PRQNZFSKEFAHLZ-UHFFFAOYSA-N 0 0 509.673 2.358 50 0 KEAARN CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4nc(C5CCOCC5)no4)CC3)CC2)CC1 ZINC000169779950 1066356809 /nfs/dbraw/zinc/35/68/09/1066356809.db2.gz NHARRPZLGOVFLQ-UHFFFAOYSA-N 0 0 523.700 2.433 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000169779955 1066356785 /nfs/dbraw/zinc/35/67/85/1066356785.db2.gz BGUBMGQMWAMRJY-UHFFFAOYSA-N 0 0 544.634 2.382 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC(Cc5nc(C6CCOCC6)no5)CC4)CC3)cc2oc1=O ZINC000169779958 1066356693 /nfs/dbraw/zinc/35/66/93/1066356693.db2.gz SMNNHAWZFIDFME-UHFFFAOYSA-N 0 0 573.672 2.291 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)CC1 ZINC000169779963 1066356606 /nfs/dbraw/zinc/35/66/06/1066356606.db2.gz QVLBGUGNPSMJIE-UHFFFAOYSA-N 0 0 521.640 2.450 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC(Cc2nncn2CC2CC2)CC1 ZINC000169779979 1066356736 /nfs/dbraw/zinc/35/67/36/1066356736.db2.gz ORHSMBDOEUFKNX-UHFFFAOYSA-N 0 0 513.624 2.106 50 0 KEAARN Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CCC(Cc5nncn5CC5CC5)CC4)CC3)ccc21 ZINC000169779982 1066356838 /nfs/dbraw/zinc/35/68/38/1066356838.db2.gz OSWKAXLRGMWROP-UHFFFAOYSA-N 0 0 542.662 2.015 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[C@@H](c2nc(C3CCOCC3)no2)C1 ZINC000169780005 1066356623 /nfs/dbraw/zinc/35/66/23/1066356623.db2.gz HRZGQEQMGFTMPQ-QGZVFWFLSA-N 0 0 532.648 2.385 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CC[C@H](c2nc(C3CCOCC3)no2)C1 ZINC000169780006 1066356721 /nfs/dbraw/zinc/35/67/21/1066356721.db2.gz HRZGQEQMGFTMPQ-KRWDZBQOSA-N 0 0 532.648 2.385 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CC[C@@H](c4nc(C5CCOCC5)no4)C3)ccc21 ZINC000169780007 1066356861 /nfs/dbraw/zinc/35/68/61/1066356861.db2.gz BVRPOZZUSUXWMB-LJQANCHMSA-N 0 0 502.593 2.053 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CC[C@H](c4nc(C5CCOCC5)no4)C3)ccc21 ZINC000169780008 1066356638 /nfs/dbraw/zinc/35/66/38/1066356638.db2.gz BVRPOZZUSUXWMB-IBGZPJMESA-N 0 0 502.593 2.053 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC[C@@H]1c1nc(C2CCOCC2)no1 ZINC000169780025 1066356823 /nfs/dbraw/zinc/35/68/23/1066356823.db2.gz OPTDJADEWLJJEK-GOSISDBHSA-N 0 0 516.580 2.264 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC[C@H]1c1nc(C2CCOCC2)no1 ZINC000169780026 1066356871 /nfs/dbraw/zinc/35/68/71/1066356871.db2.gz OPTDJADEWLJJEK-SFHVURJKSA-N 0 0 516.580 2.264 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@@H]3c3nc(C4CCOCC4)no3)ccc21 ZINC000169780027 1066356705 /nfs/dbraw/zinc/35/67/05/1066356705.db2.gz IDKSFDHTKZDZCY-OAQYLSRUSA-N 0 0 502.593 2.400 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC[C@H]3c3nc(C4CCOCC4)no3)ccc21 ZINC000169780028 1066357301 /nfs/dbraw/zinc/35/73/01/1066357301.db2.gz IDKSFDHTKZDZCY-NRFANRHFSA-N 0 0 502.593 2.400 50 0 KEAARN CC(C)n1cnnc1CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)CC1 ZINC000169780087 1066357361 /nfs/dbraw/zinc/35/73/61/1066357361.db2.gz NBSPNLPRIBKBHR-UHFFFAOYSA-N 0 0 501.613 2.277 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)N2CCCC2)C1)N1CCC(Cc2nncn2Cc2ccccc2)CC1 ZINC000169780102 1066357031 /nfs/dbraw/zinc/35/70/31/1066357031.db2.gz PMAMBGJEDOQACN-HSZRJFAPSA-N 0 0 500.669 2.160 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)N2CCCC2)C1)N1CCC(Cc2nncn2Cc2ccccc2)CC1 ZINC000169780103 1066357323 /nfs/dbraw/zinc/35/73/23/1066357323.db2.gz PMAMBGJEDOQACN-QHCPKHFHSA-N 0 0 500.669 2.160 50 0 KEAARN O=C(CNc1ccc2nnc(-c3cccnc3)n2n1)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000169780399 1066357196 /nfs/dbraw/zinc/35/71/96/1066357196.db2.gz IMOSZJMIHIGIPL-UHFFFAOYSA-N 0 0 503.567 2.357 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC[C@@H](c2nc(C3CCOCC3)no2)C1 ZINC000169780537 1066357343 /nfs/dbraw/zinc/35/73/43/1066357343.db2.gz WFUQHYFFNYKEEV-GOSISDBHSA-N 0 0 530.607 2.307 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC[C@H](c2nc(C3CCOCC3)no2)C1 ZINC000169780538 1066355289 /nfs/dbraw/zinc/35/52/89/1066355289.db2.gz WFUQHYFFNYKEEV-SFHVURJKSA-N 0 0 530.607 2.307 50 0 KEAARN CCn1cnnc1CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000169780857 1066357005 /nfs/dbraw/zinc/35/70/05/1066357005.db2.gz WXOIEDRWYAYAEW-UHFFFAOYSA-N 0 0 503.654 2.185 50 0 KEAARN Cn1nc(-c2nncn2-c2ccccc2)c2c1CCN(C(=O)CCC(=O)N1CC(=O)Nc3ccccc31)C2 ZINC000169785254 1066357123 /nfs/dbraw/zinc/35/71/23/1066357123.db2.gz PGNCOMCYMHVUMN-UHFFFAOYSA-N 0 0 510.558 2.318 50 0 KEAARN CN(CC(=O)N1CCC[C@@H](Cc2nncn2Cc2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000169788272 1066357285 /nfs/dbraw/zinc/35/72/85/1066357285.db2.gz YTTORNLZHXMCED-NRFANRHFSA-N 0 0 536.658 2.313 50 0 KEAARN CN(CC(=O)N1CCC[C@H](Cc2nncn2Cc2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000169788273 1066357110 /nfs/dbraw/zinc/35/71/10/1066357110.db2.gz YTTORNLZHXMCED-OAQYLSRUSA-N 0 0 536.658 2.313 50 0 KEAARN CN(CC(=O)N1CCC[C@@H](Cc2nncn2-c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000169788284 1066357149 /nfs/dbraw/zinc/35/71/49/1066357149.db2.gz ILJAWBAIYXJOFV-IBGZPJMESA-N 0 0 522.631 2.254 50 0 KEAARN CN(CC(=O)N1CCC[C@H](Cc2nncn2-c2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000169788285 1066357273 /nfs/dbraw/zinc/35/72/73/1066357273.db2.gz ILJAWBAIYXJOFV-LJQANCHMSA-N 0 0 522.631 2.254 50 0 KEAARN COc1cc(C(=O)c2coc3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc23)cc(OC)c1OC ZINC000170625289 571563126 /nfs/dbraw/zinc/56/31/26/571563126.db2.gz SNFPXPMRLILMCD-OAHLLOKOSA-N 0 0 503.529 2.372 50 0 KEAARN COc1cc(C(=O)c2coc3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc23)cc(OC)c1OC ZINC000170625290 571563095 /nfs/dbraw/zinc/56/30/95/571563095.db2.gz SNFPXPMRLILMCD-HNNXBMFYSA-N 0 0 503.529 2.372 50 0 KEAARN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000195528613 571563127 /nfs/dbraw/zinc/56/31/27/571563127.db2.gz HMHBLMRKQGJXAA-XOWTYJCDSA-N 0 0 532.594 2.419 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)C2C=CC3[C@H]3C(=O)N(c4cccc(S(=O)(=O)N(CC)CC)c4)C(=O)[C@H]32)c1 ZINC000195528973 571563383 /nfs/dbraw/zinc/56/33/83/571563383.db2.gz GSHXHFGOLJGKKB-OUUZQZJESA-N 0 0 668.794 2.475 50 0 KEAARN CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000195529663 571563473 /nfs/dbraw/zinc/56/34/73/571563473.db2.gz VNTISDIOZWRTSL-YLJYHZDGSA-N 0 0 520.629 2.019 50 0 KEAARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 ZINC000195531196 571563712 /nfs/dbraw/zinc/56/37/12/571563712.db2.gz YAWHBVAIIYFWAS-COLOXBMXSA-N 0 0 592.671 2.056 50 0 KEAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCS(=O)(=O)c5ccc(F)cc54)C3=O)cc2)C1 ZINC000195531197 571563666 /nfs/dbraw/zinc/56/36/66/571563666.db2.gz YAWHBVAIIYFWAS-KRXBEKAOSA-N 0 0 592.671 2.056 50 0 KEAARN C[C@]1(O)[C@H](OC(=O)c2ccccc2)C=NO[C@@H]1[C@@H]1[C@H](NC(=O)Cc2ccccc2)C(=O)N1NC(=O)OCC[Si](C)(C)C ZINC000195800635 1066352378 /nfs/dbraw/zinc/35/23/78/1066352378.db2.gz APIRTMCKSHHNDF-IMEKWULKSA-N 0 0 596.713 2.265 50 0 KEAARN CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1CCn1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC ZINC000195821780 571563979 /nfs/dbraw/zinc/56/39/79/571563979.db2.gz OLUPJXNYUDZGIX-UHFFFAOYSA-N 0 0 684.764 2.282 50 0 KEAARN C[C@@]1(O)[C@H](OC(=O)c2ccccc2)C=NO[C@H]1[C@@H]1[C@@H](NC(=O)Cc2ccccc2)C(=O)N1NC(=O)OCC[Si](C)(C)C ZINC000196094067 1066229215 /nfs/dbraw/zinc/22/92/15/1066229215.db2.gz APIRTMCKSHHNDF-HBEZYRDMSA-N 0 0 596.713 2.265 50 0 KEAARN C[C@@]1(O)[C@H](OC(=O)c2ccccc2)C=NO[C@H]1[C@H]1[C@@H](NC(=O)Cc2ccccc2)C(=O)N1NC(=O)OCC[Si](C)(C)C ZINC000196094075 1066229115 /nfs/dbraw/zinc/22/91/15/1066229115.db2.gz APIRTMCKSHHNDF-JNLZIMPLSA-N 0 0 596.713 2.265 50 0 KEAARN COc1ccc(C(O[C@H]2[C@@H](O)[C@H](n3ccc(N)nc3=O)O[C@@H]2CO)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000198697758 571568543 /nfs/dbraw/zinc/56/85/43/571568543.db2.gz XDIJHJHQBXVBMJ-YULOIDQLSA-N 0 0 545.592 2.471 50 0 KEAARN CCOC(=O)C(O)=CC(=O)c1ccc(N2CCN(c3ccc(C(=O)C=C(O)C(=O)OCC)cc3)CC2)cc1 ZINC000198728263 571568866 /nfs/dbraw/zinc/56/88/66/571568866.db2.gz VIPPIDRDKYXSOL-UHFFFAOYSA-N 0 0 522.554 2.423 50 0 KEAARN O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](COCc3ccccc3)C(=O)N2C1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000200572823 1066362884 /nfs/dbraw/zinc/36/28/84/1066362884.db2.gz KVKDBYBZBOLWON-YYWHXJBOSA-N 0 0 527.503 2.306 50 0 KEAARN CCCSc1nc2c(nnn2[C@H]2C[C@@H](OCCO)[C@H](O)[C@@H]2O)c(N[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000204935758 1066442324 /nfs/dbraw/zinc/44/23/24/1066442324.db2.gz OEKWJQXRCDYSHL-ZQHKCTDPSA-N 0 0 522.578 2.014 50 0 KEAARN C=CS(=O)(=O)NC1CCN(C(=O)CNc2cc(I)c(Cl)cc2OC)CC1 ZINC000205220330 1066355030 /nfs/dbraw/zinc/35/50/30/1066355030.db2.gz ZGUSBCDCZNBNQT-UHFFFAOYSA-N 0 0 513.785 2.419 50 0 in-vitro KEAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000214945120 571582062 /nfs/dbraw/zinc/58/20/62/571582062.db2.gz XBGOXOZYGAXNFP-RLSLOFABSA-N 0 0 639.665 2.447 50 0 KEAARN CCOC(=O)CC[C@@H](NC(=O)CCCCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC ZINC000216759858 571597871 /nfs/dbraw/zinc/59/78/71/571597871.db2.gz KGURLBRIRXSQRB-BGYRXZFFSA-N 0 0 544.642 2.109 50 0 KEAARN CCOC(=O)CC[C@H](NC(=O)CCCCCCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC ZINC000216759903 571597880 /nfs/dbraw/zinc/59/78/80/571597880.db2.gz KGURLBRIRXSQRB-PMACEKPBSA-N 0 0 544.642 2.109 50 0 KEAARN CCOC(=O)CC[C@@H](NC(=O)CCCCCCC(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)C(=O)OCC ZINC000216759945 571597777 /nfs/dbraw/zinc/59/77/77/571597777.db2.gz KGURLBRIRXSQRB-WOJBJXKFSA-N 0 0 544.642 2.109 50 0 KEAARN CCOC(=O)C1=NO[C@@H]2[C@@H]3C[C@H]([C@@H]12)[C@@H]1C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@@H]31 ZINC000221611169 571604355 /nfs/dbraw/zinc/60/43/55/571604355.db2.gz OXPDVIMGYINVSJ-QABYWAEXSA-N 0 0 500.861 2.351 50 0 KEAARN CCOC(=O)C1=NO[C@H]2[C@@H]3C[C@@H]([C@@H]4C(=O)N(CCNc5ncc(C(F)(F)F)cc5Cl)C(=O)[C@@H]34)[C@@H]12 ZINC000221611228 571604383 /nfs/dbraw/zinc/60/43/83/571604383.db2.gz OXPDVIMGYINVSJ-CKBDFNCMSA-N 0 0 500.861 2.351 50 0 KEAARN O=C(C1=NO[C@H]2[C@H]3C[C@@H]([C@@H]12)[C@@H]1C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@@H]31)N1CCCC1 ZINC000221611526 571604372 /nfs/dbraw/zinc/60/43/72/571604372.db2.gz GUSGYQPWCNAVBH-RBJYUBNVSA-N 0 0 525.915 2.410 50 0 KEAARN O=C(/C=C\c1ccc(Br)o1)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000221956678 1066386438 /nfs/dbraw/zinc/38/64/38/1066386438.db2.gz HLMVPVWHVOKYPV-KXFIGUGUSA-N 0 0 584.445 2.095 50 0 KEAARN O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000225067537 571643677 /nfs/dbraw/zinc/64/36/77/571643677.db2.gz CPYRVTMKQBVJDQ-IFMALSPDSA-N 0 0 504.557 2.201 50 0 KEAARN O=C(NCCCN1CCOCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ncccn3)C[C@H]12 ZINC000225067598 571643726 /nfs/dbraw/zinc/64/37/26/571643726.db2.gz CPYRVTMKQBVJDQ-RBBKRZOGSA-N 0 0 504.557 2.201 50 0 KEAARN O=c1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1O ZINC000225406348 571775479 /nfs/dbraw/zinc/77/54/79/571775479.db2.gz OBLBPEZLHUSAHF-YADHBBJMSA-N 0 0 546.624 2.173 50 0 KEAARN COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421150 571788501 /nfs/dbraw/zinc/78/85/01/571788501.db2.gz NFPKQZUZCZYHKS-SLYNCCJLSA-N 0 0 560.607 2.012 50 0 KEAARN COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000225421184 571788367 /nfs/dbraw/zinc/78/83/67/571788367.db2.gz NFPKQZUZCZYHKS-LMNJBCLMSA-N 0 0 560.607 2.012 50 0 KEAARN COC(=O)COc1cccc([C@@H](CC(=O)OC)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)c1 ZINC000225422635 571789365 /nfs/dbraw/zinc/78/93/65/571789365.db2.gz BPCKNTVJHJQZRE-QMHWCDLVSA-N 0 0 564.591 2.373 50 0 KEAARN COC(=O)COc1cccc([C@H](CC(=O)OC)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)c1 ZINC000225422679 571789237 /nfs/dbraw/zinc/78/92/37/571789237.db2.gz BPCKNTVJHJQZRE-RFWXGWTQSA-N 0 0 564.591 2.373 50 0 KEAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000229666110 572159450 /nfs/dbraw/zinc/15/94/50/572159450.db2.gz DTXUVWSXPILRPF-NAVNFMRLSA-N 0 0 504.565 2.227 50 0 KEAARN COC(=O)C12CCC(CC1)[C@@H]1C(=O)N(CCCCCCN3C(=O)[C@H]4[C@H](C3=O)C3(C(=O)OC)CCC4CC3)C(=O)[C@H]12 ZINC000229866258 572162428 /nfs/dbraw/zinc/16/24/28/572162428.db2.gz ADLRANCHRAKKIO-YFAFEQFXSA-N 0 0 556.656 2.476 50 0 KEAARN CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000230037320 572181011 /nfs/dbraw/zinc/18/10/11/572181011.db2.gz VUEIIBXTOTUGJY-PKSHOOMXSA-N 0 0 606.698 2.440 50 0 KEAARN C[C@]1(O)[C@H](OC(=O)c2ccccc2)C=NO[C@@H]1[C@@H]1[C@@H](NC(=O)Cc2ccccc2)C(=O)N1NC(=O)OCC[Si](C)(C)C ZINC000230231507 572185883 /nfs/dbraw/zinc/18/58/83/572185883.db2.gz APIRTMCKSHHNDF-KHWOSFCASA-N 0 0 596.713 2.265 50 0 KEAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000230290516 572185931 /nfs/dbraw/zinc/18/59/31/572185931.db2.gz XBGOXOZYGAXNFP-ZYLNGJIFSA-N 0 0 639.665 2.447 50 0 KEAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000230290525 572186004 /nfs/dbraw/zinc/18/60/04/572186004.db2.gz XBGOXOZYGAXNFP-OHUGHZGNSA-N 0 0 639.665 2.447 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)C2)CC1 ZINC000243914680 572199840 /nfs/dbraw/zinc/19/98/40/572199840.db2.gz BJIMESHFWFGTIM-VQTJNVASSA-N 0 0 520.586 2.256 50 0 KEAARN O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)C2)CC1 ZINC000243914681 572199752 /nfs/dbraw/zinc/19/97/52/572199752.db2.gz BJIMESHFWFGTIM-WOJBJXKFSA-N 0 0 520.586 2.256 50 0 KEAARN O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)NCc1ccc2c(c1)OCO2 ZINC000245053558 572200900 /nfs/dbraw/zinc/20/09/00/572200900.db2.gz OZXVGXPGEAVSAV-UHFFFAOYSA-N 0 0 500.555 2.099 50 0 KEAARN C[C@H](Cn1cccn1)N(CC(=O)N(C)C[C@H]1COc2ccccc2O1)CC(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000245224672 572202383 /nfs/dbraw/zinc/20/23/83/572202383.db2.gz BFCRPOMEGTXNOB-SGNDLWITSA-N 0 0 563.655 2.170 50 0 KEAARN CCN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000245228400 572204970 /nfs/dbraw/zinc/20/49/70/572204970.db2.gz VNTISDIOZWRTSL-XLIONFOSSA-N 0 0 520.629 2.019 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245237496 572211022 /nfs/dbraw/zinc/21/10/22/572211022.db2.gz LBSRZJUTWXANAX-JQZXIOIQSA-N 0 0 557.980 2.007 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCOc2ccc(Cl)cc2C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245237497 572211052 /nfs/dbraw/zinc/21/10/52/572211052.db2.gz LBSRZJUTWXANAX-LSYLRQOFSA-N 0 0 557.980 2.007 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000245240933 572214663 /nfs/dbraw/zinc/21/46/63/572214663.db2.gz VHFJTWKDAGBIQF-HNASSTCJSA-N 0 0 503.392 2.242 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000245240934 572214653 /nfs/dbraw/zinc/21/46/53/572214653.db2.gz VHFJTWKDAGBIQF-KGZKIYMESA-N 0 0 503.392 2.242 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000245240935 572214781 /nfs/dbraw/zinc/21/47/81/572214781.db2.gz VHFJTWKDAGBIQF-UKCJKJFHSA-N 0 0 503.392 2.242 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000245240936 572214628 /nfs/dbraw/zinc/21/46/28/572214628.db2.gz VHFJTWKDAGBIQF-XBDAJRGFSA-N 0 0 503.392 2.242 50 0 KEAARN CCOC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000245245387 572217680 /nfs/dbraw/zinc/21/76/80/572217680.db2.gz ILIWIHNLKASJOV-ABWFTKRFSA-N 0 0 530.624 2.490 50 0 KEAARN CCOC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000245245389 572217831 /nfs/dbraw/zinc/21/78/31/572217831.db2.gz ILIWIHNLKASJOV-GIUCKOKDSA-N 0 0 530.624 2.490 50 0 KEAARN CCOC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000245245391 572217997 /nfs/dbraw/zinc/21/79/97/572217997.db2.gz ILIWIHNLKASJOV-UOIBIHNKSA-N 0 0 530.624 2.490 50 0 KEAARN CCOC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000245245393 572217857 /nfs/dbraw/zinc/21/78/57/572217857.db2.gz ILIWIHNLKASJOV-ZIYGHJJUSA-N 0 0 530.624 2.490 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000245246088 572218718 /nfs/dbraw/zinc/21/87/18/572218718.db2.gz HUJAPWOFJXSABX-OAMWMJSBSA-N 0 0 633.787 2.455 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O ZINC000245246089 572218861 /nfs/dbraw/zinc/21/88/61/572218861.db2.gz HUJAPWOFJXSABX-XYYTWLRXSA-N 0 0 633.787 2.455 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O ZINC000245246090 572218574 /nfs/dbraw/zinc/21/85/74/572218574.db2.gz HUJAPWOFJXSABX-YDYQCYGMSA-N 0 0 633.787 2.455 50 0 KEAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1ccc(Br)cc1 ZINC000245254587 572222040 /nfs/dbraw/zinc/22/20/40/572222040.db2.gz AOGQSZQTIQEDRS-CXQPBAHBSA-N 0 0 518.382 2.197 50 0 KEAARN CC(=O)N[C@@H]1[C@H](Sc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245254588 572221897 /nfs/dbraw/zinc/22/18/97/572221897.db2.gz AOGQSZQTIQEDRS-DEPCRRQNSA-N 0 0 518.382 2.197 50 0 KEAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1ccc(Br)cc1 ZINC000245254589 572222100 /nfs/dbraw/zinc/22/21/00/572222100.db2.gz AOGQSZQTIQEDRS-IVDHNXQLSA-N 0 0 518.382 2.197 50 0 KEAARN CC(=O)N[C@@H]1[C@H](Sc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245254590 572222038 /nfs/dbraw/zinc/22/20/38/572222038.db2.gz AOGQSZQTIQEDRS-RMMWZPCPSA-N 0 0 518.382 2.197 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C(=O)N(c4cccc(S(=O)(=O)N(CC)CC)c4)C(=O)[C@H]32)c1 ZINC000245265389 572223551 /nfs/dbraw/zinc/22/35/51/572223551.db2.gz GSHXHFGOLJGKKB-JZFZMOLRSA-N 0 0 668.794 2.475 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3[C@H]3C(=O)N(c4cccc(S(=O)(=O)N(CC)CC)c4)C(=O)[C@H]32)c1 ZINC000245265390 572223480 /nfs/dbraw/zinc/22/34/80/572223480.db2.gz GSHXHFGOLJGKKB-LMHMGINLSA-N 0 0 668.794 2.475 50 0 KEAARN CCN(CC)S(=O)(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C(=O)N(c4cccc(S(=O)(=O)N(CC)CC)c4)C(=O)[C@@H]32)c1 ZINC000245265391 572223458 /nfs/dbraw/zinc/22/34/58/572223458.db2.gz GSHXHFGOLJGKKB-SMCKKPLMSA-N 0 0 668.794 2.475 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000245267381 1066360398 /nfs/dbraw/zinc/36/03/98/1066360398.db2.gz LLLNTXZITKTKCA-IDFBPUONSA-N 0 0 557.552 2.079 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245267383 1066360477 /nfs/dbraw/zinc/36/04/77/1066360477.db2.gz LLLNTXZITKTKCA-KVFWAJHPSA-N 0 0 557.552 2.079 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245267385 1066360364 /nfs/dbraw/zinc/36/03/64/1066360364.db2.gz LLLNTXZITKTKCA-ZPLZDBFASA-N 0 0 557.552 2.079 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000245285880 572226077 /nfs/dbraw/zinc/22/60/77/572226077.db2.gz ZFKVWNUPWMEURA-IDFBPUONSA-N 0 0 557.552 2.079 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245285881 572226065 /nfs/dbraw/zinc/22/60/65/572226065.db2.gz ZFKVWNUPWMEURA-KVFWAJHPSA-N 0 0 557.552 2.079 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245285882 572226088 /nfs/dbraw/zinc/22/60/88/572226088.db2.gz ZFKVWNUPWMEURA-ZPLZDBFASA-N 0 0 557.552 2.079 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)C[C@H]1C ZINC000245327047 572233481 /nfs/dbraw/zinc/23/34/81/572233481.db2.gz HZWFXAIHQLSUDU-UZUQRXQVSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3OC)NC(=O)N2CC)C[C@H]1C ZINC000245327087 572233459 /nfs/dbraw/zinc/23/34/59/572233459.db2.gz IUJALVYKLNOGOG-VGOFRKELSA-N 0 0 517.627 2.343 50 0 KEAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)C[C@H]1C ZINC000245327571 572234071 /nfs/dbraw/zinc/23/40/71/572234071.db2.gz KUJOVZSBYVTYAB-UZUQRXQVSA-N 0 0 517.627 2.343 50 0 KEAARN CC(C)C[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000245380363 562881586 /nfs/dbraw/zinc/88/15/86/562881586.db2.gz XNJISPIGUVSARX-XPWALMASSA-N 0 0 522.602 2.058 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000245380431 562881602 /nfs/dbraw/zinc/88/16/02/562881602.db2.gz ZDQWBWOFDJWWJQ-ASLXYRGWSA-N 0 0 522.602 2.058 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000245380432 562881603 /nfs/dbraw/zinc/88/16/03/562881603.db2.gz ZDQWBWOFDJWWJQ-IVDSKFSHSA-N 0 0 522.602 2.058 50 0 KEAARN CC[C@H](C)[C@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000245380433 562881599 /nfs/dbraw/zinc/88/15/99/562881599.db2.gz ZDQWBWOFDJWWJQ-ZFIHGSKBSA-N 0 0 522.602 2.058 50 0 KEAARN COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)c1 ZINC000245391938 572240455 /nfs/dbraw/zinc/24/04/55/572240455.db2.gz OGRQOXXUZIKSML-GPXJYUFESA-N 0 0 566.394 2.394 50 0 KEAARN COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2NC(C)=O)c1 ZINC000245391940 572240518 /nfs/dbraw/zinc/24/05/18/572240518.db2.gz OGRQOXXUZIKSML-NQXIECBCSA-N 0 0 566.394 2.394 50 0 KEAARN COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)c1 ZINC000245391942 572240428 /nfs/dbraw/zinc/24/04/28/572240428.db2.gz OGRQOXXUZIKSML-UKFQPJBISA-N 0 0 566.394 2.394 50 0 KEAARN COC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)c1 ZINC000245391944 572240591 /nfs/dbraw/zinc/24/05/91/572240591.db2.gz OGRQOXXUZIKSML-XIRKIXBGSA-N 0 0 566.394 2.394 50 0 KEAARN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000247803359 572244959 /nfs/dbraw/zinc/24/49/59/572244959.db2.gz XBGOXOZYGAXNFP-RNHFSVANSA-N 0 0 639.665 2.447 50 0 KEAARN COC(=O)C12CCC(CC1)[C@H]1C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](C3=O)C3(C(=O)OC)CCC4CC3)C(=O)[C@@H]12 ZINC000247806888 572245359 /nfs/dbraw/zinc/24/53/59/572245359.db2.gz ADLRANCHRAKKIO-WDPDPBBYSA-N 0 0 556.656 2.476 50 0 KEAARN O=C(C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21)N1CCCC1 ZINC000247845344 572245897 /nfs/dbraw/zinc/24/58/97/572245897.db2.gz GUSGYQPWCNAVBH-HCLUDAPVSA-N 0 0 525.915 2.410 50 0 KEAARN O=C(C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21)N1CCCC1 ZINC000247845352 572246115 /nfs/dbraw/zinc/24/61/15/572246115.db2.gz GUSGYQPWCNAVBH-JCMAPOIDSA-N 0 0 525.915 2.410 50 0 KEAARN O=C(C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12)N1CCCC1 ZINC000247845357 572245986 /nfs/dbraw/zinc/24/59/86/572245986.db2.gz GUSGYQPWCNAVBH-PTGSCEPCSA-N 0 0 525.915 2.410 50 0 KEAARN O=C(C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12)N1CCCC1 ZINC000247845363 572246007 /nfs/dbraw/zinc/24/60/07/572246007.db2.gz GUSGYQPWCNAVBH-UHBSZPTMSA-N 0 0 525.915 2.410 50 0 KEAARN COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 ZINC000247922320 572249623 /nfs/dbraw/zinc/24/96/23/572249623.db2.gz OSPUWYWJNWIARF-HWVUQVAQSA-N 0 0 604.561 2.124 50 0 KEAARN C[C@@H]1N[C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]12 ZINC000247939336 572249996 /nfs/dbraw/zinc/24/99/96/572249996.db2.gz FVTZFOPRUPQXSV-UPYNIBQZSA-N 0 0 524.577 2.038 50 0 KEAARN COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H](c2ccc(C)cc2)N2[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@H](c3ccc(C)cc3)N12 ZINC000248077564 572253261 /nfs/dbraw/zinc/25/32/61/572253261.db2.gz IUUYWCNJCMIPCN-MRIDXKINSA-N 0 0 524.570 2.294 50 0 KEAARN COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H](c2ccc(C)cc2)N2[C@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H](c3ccc(C)cc3)N12 ZINC000248077572 572253305 /nfs/dbraw/zinc/25/33/05/572253305.db2.gz IUUYWCNJCMIPCN-NOGMDXJMSA-N 0 0 524.570 2.294 50 0 KEAARN COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H](c2ccc(C)cc2)N2[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H](c3ccc(C)cc3)N12 ZINC000248077589 572253287 /nfs/dbraw/zinc/25/32/87/572253287.db2.gz IUUYWCNJCMIPCN-ZJCHSKCTSA-N 0 0 524.570 2.294 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000248136622 572254924 /nfs/dbraw/zinc/25/49/24/572254924.db2.gz OJCRNEDUKACBCC-BCCBVXTOSA-N 0 0 533.418 2.251 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000248136626 572254926 /nfs/dbraw/zinc/25/49/26/572254926.db2.gz OJCRNEDUKACBCC-BGEMRTGESA-N 0 0 533.418 2.251 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F ZINC000248136629 572254930 /nfs/dbraw/zinc/25/49/30/572254930.db2.gz OJCRNEDUKACBCC-HZMZCJTDSA-N 0 0 533.418 2.251 50 0 KEAARN CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F ZINC000248136632 572254993 /nfs/dbraw/zinc/25/49/93/572254993.db2.gz OJCRNEDUKACBCC-KDQHYCTGSA-N 0 0 533.418 2.251 50 0 KEAARN COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000248138758 572255139 /nfs/dbraw/zinc/25/51/39/572255139.db2.gz PYRQISFDANFGQF-AXFSNSGFSA-N 0 0 516.597 2.100 50 0 KEAARN COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000248138761 572255122 /nfs/dbraw/zinc/25/51/22/572255122.db2.gz PYRQISFDANFGQF-INVBPPQYSA-N 0 0 516.597 2.100 50 0 KEAARN COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000248138763 572255120 /nfs/dbraw/zinc/25/51/20/572255120.db2.gz PYRQISFDANFGQF-PXTWDAFRSA-N 0 0 516.597 2.100 50 0 KEAARN COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(OC)c(OC)c3)[C@@H]2C1=O ZINC000248138767 572255111 /nfs/dbraw/zinc/25/51/11/572255111.db2.gz PYRQISFDANFGQF-WTAXKWFHSA-N 0 0 516.597 2.100 50 0 KEAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]12 ZINC000248318659 572257940 /nfs/dbraw/zinc/25/79/40/572257940.db2.gz OXPDVIMGYINVSJ-BNNFPGKKSA-N 0 0 500.861 2.351 50 0 KEAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]12 ZINC000248318660 572257848 /nfs/dbraw/zinc/25/78/48/572257848.db2.gz OXPDVIMGYINVSJ-HRNUKNRHSA-N 0 0 500.861 2.351 50 0 KEAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]21 ZINC000248318661 572257846 /nfs/dbraw/zinc/25/78/46/572257846.db2.gz OXPDVIMGYINVSJ-WSVUXOBPSA-N 0 0 500.861 2.351 50 0 KEAARN CCOC(=O)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]21 ZINC000248318662 572257871 /nfs/dbraw/zinc/25/78/71/572257871.db2.gz OXPDVIMGYINVSJ-YOJNJTBDSA-N 0 0 500.861 2.351 50 0 KEAARN CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O ZINC000249682265 572258699 /nfs/dbraw/zinc/25/86/99/572258699.db2.gz CBDVADVIHJPHMA-AZKGINQHSA-N 0 0 599.062 2.279 50 0 KEAARN CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000249682268 572258697 /nfs/dbraw/zinc/25/86/97/572258697.db2.gz CBDVADVIHJPHMA-FFYZIMEISA-N 0 0 599.062 2.279 50 0 KEAARN CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000249682272 572258667 /nfs/dbraw/zinc/25/86/67/572258667.db2.gz CBDVADVIHJPHMA-SKFMWMRISA-N 0 0 599.062 2.279 50 0 KEAARN CCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000249682276 572258687 /nfs/dbraw/zinc/25/86/87/572258687.db2.gz CBDVADVIHJPHMA-ZXGKGEBGSA-N 0 0 599.062 2.279 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252430703 572260702 /nfs/dbraw/zinc/26/07/02/572260702.db2.gz GBQHRAGPKCIDLC-ITBHCLRTSA-N 0 0 615.476 2.444 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252430704 572260676 /nfs/dbraw/zinc/26/06/76/572260676.db2.gz GBQHRAGPKCIDLC-KGWSWXIGSA-N 0 0 615.476 2.444 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](N2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000252430705 572260655 /nfs/dbraw/zinc/26/06/55/572260655.db2.gz GBQHRAGPKCIDLC-PPGORRQASA-N 0 0 615.476 2.444 50 0 KEAARN O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N(CCO)Cc1ccccc1 ZINC000252492547 572261717 /nfs/dbraw/zinc/26/17/17/572261717.db2.gz MOZSEZZKJUYYSJ-UHFFFAOYSA-N 0 0 500.599 2.075 50 0 KEAARN COc1ccc(CCNC(=O)CN2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1OC ZINC000252495063 572261732 /nfs/dbraw/zinc/26/17/32/572261732.db2.gz OLZHKXMHVKEQFU-UHFFFAOYSA-N 0 0 530.625 2.430 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252570400 572263601 /nfs/dbraw/zinc/26/36/01/572263601.db2.gz WRFAQYGEBZRJJL-HSZRJFAPSA-N 0 0 610.689 2.239 50 0 KEAARN C[C@]1(O)[C@H](OC(=O)c2ccccc2)C=NO[C@@H]1[C@H]1[C@H](NC(=O)Cc2ccccc2)C(=O)N1NC(=O)OCC[Si](C)(C)C ZINC000252590133 572266546 /nfs/dbraw/zinc/26/65/46/572266546.db2.gz APIRTMCKSHHNDF-GTUSQSJESA-N 0 0 596.713 2.265 50 0 KEAARN C[C@]1(O)[C@H](OC(=O)c2ccccc2)C=NO[C@@H]1[C@H]1[C@@H](NC(=O)Cc2ccccc2)C(=O)N1NC(=O)OCC[Si](C)(C)C ZINC000252590134 572266463 /nfs/dbraw/zinc/26/64/63/572266463.db2.gz APIRTMCKSHHNDF-UUWKDYOPSA-N 0 0 596.713 2.265 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000252617552 562881742 /nfs/dbraw/zinc/88/17/42/562881742.db2.gz KVKPMJCOWPEUBL-CBWIYWRDSA-N 0 0 562.597 2.499 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252617553 562881744 /nfs/dbraw/zinc/88/17/44/562881744.db2.gz KVKPMJCOWPEUBL-JJVSTHJESA-N 0 0 562.597 2.499 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252617554 562881761 /nfs/dbraw/zinc/88/17/61/562881761.db2.gz KVKPMJCOWPEUBL-LBVSQVJBSA-N 0 0 562.597 2.499 50 0 KEAARN COc1cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000252621833 572269674 /nfs/dbraw/zinc/26/96/74/572269674.db2.gz NHRZTLIRGAPHBX-UHFFFAOYSA-N 0 0 544.593 2.159 50 0 KEAARN CC(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)C)[C@@H](O)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000252624496 572270287 /nfs/dbraw/zinc/27/02/87/572270287.db2.gz POYLUMRXMKSMJK-LAFIBXOBSA-N 0 0 530.611 2.200 50 0 KEAARN CC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000252624497 572270277 /nfs/dbraw/zinc/27/02/77/572270277.db2.gz POYLUMRXMKSMJK-MFHSYZQISA-N 0 0 530.611 2.200 50 0 KEAARN CC(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@H]1OC(=O)C(C)C ZINC000252624498 572270296 /nfs/dbraw/zinc/27/02/96/572270296.db2.gz POYLUMRXMKSMJK-RZTRGMPVSA-N 0 0 530.611 2.200 50 0 KEAARN CC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000252624499 572270316 /nfs/dbraw/zinc/27/03/16/572270316.db2.gz POYLUMRXMKSMJK-XVMFTKMYSA-N 0 0 530.611 2.200 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252666001 572272638 /nfs/dbraw/zinc/27/26/38/572272638.db2.gz ADNUJAJXWQWULX-DEOSSOPVSA-N 0 0 536.562 2.267 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252666002 572272647 /nfs/dbraw/zinc/27/26/47/572272647.db2.gz ADNUJAJXWQWULX-XMMPIXPASA-N 0 0 536.562 2.267 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252666050 572272649 /nfs/dbraw/zinc/27/26/49/572272649.db2.gz AIPIFVGMKVEDEF-DEOSSOPVSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252666051 572272668 /nfs/dbraw/zinc/27/26/68/572272668.db2.gz AIPIFVGMKVEDEF-XMMPIXPASA-N 0 0 539.610 2.245 50 0 KEAARN CCN(CC)C(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252666226 572272880 /nfs/dbraw/zinc/27/28/80/572272880.db2.gz AVEPJDIHEZHYJH-HSZRJFAPSA-N 0 0 532.622 2.443 50 0 KEAARN CCN(CC)C(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252666227 572272853 /nfs/dbraw/zinc/27/28/53/572272853.db2.gz AVEPJDIHEZHYJH-QHCPKHFHSA-N 0 0 532.622 2.443 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(Cl)cc3)sc2=C(C(N)=O)[C@H]1c1ccc(Cl)cc1 ZINC000252666379 572273077 /nfs/dbraw/zinc/27/30/77/572273077.db2.gz BGXVQPAACRZHSG-KRWDZBQOSA-N 0 0 516.406 2.169 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(Cl)cc3)sc2=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000252666380 572273074 /nfs/dbraw/zinc/27/30/74/572273074.db2.gz BGXVQPAACRZHSG-QGZVFWFLSA-N 0 0 516.406 2.169 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252666598 572273424 /nfs/dbraw/zinc/27/34/24/572273424.db2.gz BZZUZSIWCPGWLK-HSZRJFAPSA-N 0 0 508.552 2.351 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252666599 572273413 /nfs/dbraw/zinc/27/34/13/572273413.db2.gz BZZUZSIWCPGWLK-QHCPKHFHSA-N 0 0 508.552 2.351 50 0 KEAARN CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000252666798 572273552 /nfs/dbraw/zinc/27/35/52/572273552.db2.gz CIDWNQHXLKUQMM-HSZRJFAPSA-N 0 0 531.590 2.460 50 0 KEAARN CCCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000252666799 572273551 /nfs/dbraw/zinc/27/35/51/572273551.db2.gz CIDWNQHXLKUQMM-QHCPKHFHSA-N 0 0 531.590 2.460 50 0 KEAARN COc1cc(C=c2sc3nc4ccccc4n3c2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000252667879 572273844 /nfs/dbraw/zinc/27/38/44/572273844.db2.gz DMZMVVYIAZDLMZ-UHFFFAOYSA-N 0 0 573.635 2.116 50 0 KEAARN CCOC(=O)C1=c2sc(=Cc3ccccc3F)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccccc1F ZINC000252668010 572273988 /nfs/dbraw/zinc/27/39/88/572273988.db2.gz DQZNEQWVJYJMBH-IBGZPJMESA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=c2sc(=Cc3ccccc3F)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccccc1F ZINC000252668012 572274001 /nfs/dbraw/zinc/27/40/01/572274001.db2.gz DQZNEQWVJYJMBH-LJQANCHMSA-N 0 0 512.534 2.218 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252668042 572273950 /nfs/dbraw/zinc/27/39/50/572273950.db2.gz DTBCDNZRUGLABZ-DEOSSOPVSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252668045 572273941 /nfs/dbraw/zinc/27/39/41/572273941.db2.gz DTBCDNZRUGLABZ-XMMPIXPASA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252668177 572273929 /nfs/dbraw/zinc/27/39/29/572273929.db2.gz DVPMPIDHKACKGP-HSZRJFAPSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252668178 572273958 /nfs/dbraw/zinc/27/39/58/572273958.db2.gz DVPMPIDHKACKGP-QHCPKHFHSA-N 0 0 547.589 2.079 50 0 KEAARN CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=c2sc(=Cc3cccc(OCC(=O)N4CCOCC4)c3)c(=O)n21 ZINC000252668816 572274202 /nfs/dbraw/zinc/27/42/02/572274202.db2.gz FRBSHNJVMPCOLQ-HHHXNRCGSA-N 0 0 577.659 2.045 50 0 KEAARN CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=c2sc(=Cc3cccc(OCC(=O)N4CCOCC4)c3)c(=O)n21 ZINC000252668817 572274187 /nfs/dbraw/zinc/27/41/87/572274187.db2.gz FRBSHNJVMPCOLQ-MHZLTWQESA-N 0 0 577.659 2.045 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252668876 572274210 /nfs/dbraw/zinc/27/42/10/572274210.db2.gz FVHQYDTXFYXEAA-JOCHJYFZSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252668877 572274193 /nfs/dbraw/zinc/27/41/93/572274193.db2.gz FVHQYDTXFYXEAA-QFIPXVFZSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000252669335 572274806 /nfs/dbraw/zinc/27/48/06/572274806.db2.gz HEVLKCFPBZRKFW-DEOSSOPVSA-N 0 0 536.562 2.461 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000252669336 572274751 /nfs/dbraw/zinc/27/47/51/572274751.db2.gz HEVLKCFPBZRKFW-XMMPIXPASA-N 0 0 536.562 2.461 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252669599 572275144 /nfs/dbraw/zinc/27/51/44/572275144.db2.gz IBCPCVZHIQCZTC-DEOSSOPVSA-N 0 0 548.621 2.006 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252669600 572275093 /nfs/dbraw/zinc/27/50/93/572275093.db2.gz IBCPCVZHIQCZTC-XMMPIXPASA-N 0 0 548.621 2.006 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000252669647 572275136 /nfs/dbraw/zinc/27/51/36/572275136.db2.gz IGHNYUZIXCUKFB-HSZRJFAPSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000252669648 572275145 /nfs/dbraw/zinc/27/51/45/572275145.db2.gz IGHNYUZIXCUKFB-QHCPKHFHSA-N 0 0 547.589 2.079 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252670347 572275894 /nfs/dbraw/zinc/27/58/94/572275894.db2.gz KGPGRIRIXKHZJN-PMERELPUSA-N 0 0 729.816 2.466 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252670348 572275952 /nfs/dbraw/zinc/27/59/52/572275952.db2.gz KGPGRIRIXKHZJN-SSEXGKCCSA-N 0 0 729.816 2.466 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000252670468 572276033 /nfs/dbraw/zinc/27/60/33/572276033.db2.gz KRJPQFMYVYQMBR-DEOSSOPVSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000252670469 572276048 /nfs/dbraw/zinc/27/60/48/572276048.db2.gz KRJPQFMYVYQMBR-XMMPIXPASA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252670780 572276373 /nfs/dbraw/zinc/27/63/73/572276373.db2.gz LRLOAIVXECIGEG-JOCHJYFZSA-N 0 0 519.579 2.162 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252670781 572276392 /nfs/dbraw/zinc/27/63/92/572276392.db2.gz LRLOAIVXECIGEG-QFIPXVFZSA-N 0 0 519.579 2.162 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252671034 572276576 /nfs/dbraw/zinc/27/65/76/572276576.db2.gz MLYBGHPZIBZTNA-RUZDIDTESA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252671035 572276568 /nfs/dbraw/zinc/27/65/68/572276568.db2.gz MLYBGHPZIBZTNA-VWLOTQADSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(OCC)cc3)sc2=C(C(=O)OC)[C@@H]1c1ccc(OCC)cc1 ZINC000252671183 572276703 /nfs/dbraw/zinc/27/67/03/572276703.db2.gz MXMSOJOZGOZYRL-JOCHJYFZSA-N 0 0 550.633 2.348 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(OCC)cc3)sc2=C(C(=O)OC)[C@H]1c1ccc(OCC)cc1 ZINC000252671184 572276673 /nfs/dbraw/zinc/27/66/73/572276673.db2.gz MXMSOJOZGOZYRL-QFIPXVFZSA-N 0 0 550.633 2.348 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252671577 572276967 /nfs/dbraw/zinc/27/69/67/572276967.db2.gz NQCCKRSFHAZCBZ-HSZRJFAPSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252671578 572276977 /nfs/dbraw/zinc/27/69/77/572276977.db2.gz NQCCKRSFHAZCBZ-QHCPKHFHSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252672231 572277594 /nfs/dbraw/zinc/27/75/94/572277594.db2.gz PQKCSZJAFMCFBW-RUZDIDTESA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252672232 572277602 /nfs/dbraw/zinc/27/76/02/572277602.db2.gz PQKCSZJAFMCFBW-VWLOTQADSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000252672324 572277749 /nfs/dbraw/zinc/27/77/49/572277749.db2.gz PXIJZJVEVQATSG-HSZRJFAPSA-N 0 0 506.536 2.298 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000252672325 572277704 /nfs/dbraw/zinc/27/77/04/572277704.db2.gz PXIJZJVEVQATSG-QHCPKHFHSA-N 0 0 506.536 2.298 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252672742 572278033 /nfs/dbraw/zinc/27/80/33/572278033.db2.gz QLLQLDHUMNJZDL-DEOSSOPVSA-N 0 0 569.636 2.254 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252672743 572278054 /nfs/dbraw/zinc/27/80/54/572278054.db2.gz QLLQLDHUMNJZDL-XMMPIXPASA-N 0 0 569.636 2.254 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000252672824 572278056 /nfs/dbraw/zinc/27/80/56/572278056.db2.gz QOQUGXZAJWKAFH-DEOSSOPVSA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000252672827 572278089 /nfs/dbraw/zinc/27/80/89/572278089.db2.gz QOQUGXZAJWKAFH-XMMPIXPASA-N 0 0 539.610 2.245 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@@H]1c1ccc(OC)cc1 ZINC000252673033 572278050 /nfs/dbraw/zinc/27/80/50/572278050.db2.gz QSHOVOSIKPNDHC-JOCHJYFZSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccc(OC)cc3)sc2=C(C(=O)OC(C)C)[C@H]1c1ccc(OC)cc1 ZINC000252673034 572278095 /nfs/dbraw/zinc/27/80/95/572278095.db2.gz QSHOVOSIKPNDHC-QFIPXVFZSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252673918 572278403 /nfs/dbraw/zinc/27/84/03/572278403.db2.gz RMKJDJWZVLSFOB-HSZRJFAPSA-N 0 0 506.536 2.452 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252673919 572278438 /nfs/dbraw/zinc/27/84/38/572278438.db2.gz RMKJDJWZVLSFOB-QHCPKHFHSA-N 0 0 506.536 2.452 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000252675042 572278974 /nfs/dbraw/zinc/27/89/74/572278974.db2.gz SSVTYXHAQSYDSS-RUZDIDTESA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000252675043 572279021 /nfs/dbraw/zinc/27/90/21/572279021.db2.gz SSVTYXHAQSYDSS-VWLOTQADSA-N 0 0 552.653 2.160 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000252675093 572278982 /nfs/dbraw/zinc/27/89/82/572278982.db2.gz SYJURCORJQPLMF-DEOSSOPVSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000252675094 572278992 /nfs/dbraw/zinc/27/89/92/572278992.db2.gz SYJURCORJQPLMF-XMMPIXPASA-N 0 0 522.627 2.152 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000252675369 572279099 /nfs/dbraw/zinc/27/90/99/572279099.db2.gz TXHYHMHTPVHKQF-FQEVSTJZSA-N 0 0 507.955 2.325 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000252675370 572279104 /nfs/dbraw/zinc/27/91/04/572279104.db2.gz TXHYHMHTPVHKQF-HXUWFJFHSA-N 0 0 507.955 2.325 50 0 KEAARN CCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000252675518 572279169 /nfs/dbraw/zinc/27/91/69/572279169.db2.gz UGIKAUDHAOJHNE-JOCHJYFZSA-N 0 0 517.563 2.070 50 0 KEAARN CCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000252675519 572279238 /nfs/dbraw/zinc/27/92/38/572279238.db2.gz UGIKAUDHAOJHNE-QFIPXVFZSA-N 0 0 517.563 2.070 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252676412 572280121 /nfs/dbraw/zinc/28/01/21/572280121.db2.gz XAGCJEMXPIBHOH-HSZRJFAPSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252676413 572280074 /nfs/dbraw/zinc/28/00/74/572280074.db2.gz XAGCJEMXPIBHOH-QHCPKHFHSA-N 0 0 509.584 2.237 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252676427 572280168 /nfs/dbraw/zinc/28/01/68/572280168.db2.gz XBHXKOIZLLIIKT-DEOSSOPVSA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CCN(C)CC4)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252676428 572280221 /nfs/dbraw/zinc/28/02/21/572280221.db2.gz XBHXKOIZLLIIKT-XMMPIXPASA-N 0 0 522.627 2.152 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000252676887 572280429 /nfs/dbraw/zinc/28/04/29/572280429.db2.gz XTLDZEMCTOFNAI-HSZRJFAPSA-N 0 0 531.590 2.460 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000252676888 572280441 /nfs/dbraw/zinc/28/04/41/572280441.db2.gz XTLDZEMCTOFNAI-QHCPKHFHSA-N 0 0 531.590 2.460 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C(=O)OC(C)C)[C@@H]1c1cccc(OC)c1 ZINC000252677124 572280537 /nfs/dbraw/zinc/28/05/37/572280537.db2.gz YDSZDSBVFMOZDF-JOCHJYFZSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(N)n2c(=O)c(=Cc3cccc(OC)c3)sc2=C(C(=O)OC(C)C)[C@H]1c1cccc(OC)c1 ZINC000252677126 572280627 /nfs/dbraw/zinc/28/06/27/572280627.db2.gz YDSZDSBVFMOZDF-QFIPXVFZSA-N 0 0 550.633 2.346 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000252677137 572280623 /nfs/dbraw/zinc/28/06/23/572280623.db2.gz YDYVTRAWPGNHBH-DEOSSOPVSA-N 0 0 561.616 2.469 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=C3c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000252677140 572280642 /nfs/dbraw/zinc/28/06/42/572280642.db2.gz YDYVTRAWPGNHBH-XMMPIXPASA-N 0 0 561.616 2.469 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000252677380 572280757 /nfs/dbraw/zinc/28/07/57/572280757.db2.gz YNJBFRQVLBEXKL-GDLZYMKVSA-N 0 0 699.790 2.457 50 0 KEAARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(Oc4nc(N5CCOCC5)nc(N5CCOCC5)n4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000252677381 572280768 /nfs/dbraw/zinc/28/07/68/572280768.db2.gz YNJBFRQVLBEXKL-LJAQVGFWSA-N 0 0 699.790 2.457 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000252677485 572280871 /nfs/dbraw/zinc/28/08/71/572280871.db2.gz YXIDTTIJXSKUSB-NRFANRHFSA-N 0 0 512.565 2.320 50 0 KEAARN COC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000252677486 572280885 /nfs/dbraw/zinc/28/08/85/572280885.db2.gz YXIDTTIJXSKUSB-OAQYLSRUSA-N 0 0 512.565 2.320 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253388598 572283012 /nfs/dbraw/zinc/28/30/12/572283012.db2.gz KVKPMJCOWPEUBL-LPXUDWAYSA-N 0 0 562.597 2.499 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253388599 572283015 /nfs/dbraw/zinc/28/30/15/572283015.db2.gz KVKPMJCOWPEUBL-PERMCUBVSA-N 0 0 562.597 2.499 50 0 KEAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@@H](C)C2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000253389660 572283399 /nfs/dbraw/zinc/28/33/99/572283399.db2.gz PNLJXRTXXHKWNE-SBUREZEXSA-N 0 0 517.627 2.341 50 0 KEAARN COC(=O)CNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253403146 572285724 /nfs/dbraw/zinc/28/57/24/572285724.db2.gz GYLUMOWZTWRJDA-FQEVSTJZSA-N 0 0 541.601 2.344 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCN(S(C)(=O)=O)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253404646 572285947 /nfs/dbraw/zinc/28/59/47/572285947.db2.gz HXOLCCFPKFQQAK-FIPFOOKPSA-N 0 0 630.764 2.403 50 0 KEAARN COC(=O)[C@H](C)NC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253405114 572286043 /nfs/dbraw/zinc/28/60/43/572286043.db2.gz ICGLAKOJZQQRAY-AVYPCKFXSA-N 0 0 541.601 2.341 50 0 KEAARN COCCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253406698 572286519 /nfs/dbraw/zinc/28/65/19/572286519.db2.gz JDONYQBOWRMPBD-YWZLYKJASA-N 0 0 513.591 2.426 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCS(=O)(=O)N(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253410640 572287374 /nfs/dbraw/zinc/28/73/74/572287374.db2.gz NNUVQXJUZBXHEV-UPVQGACJSA-N 0 0 650.820 2.404 50 0 KEAARN COC(=O)COc1ccc([C@H](CC(=O)OC)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC ZINC000253411335 572287499 /nfs/dbraw/zinc/28/74/99/572287499.db2.gz OMNSNIJQRUIFAM-CBQOVEMMSA-N 0 0 594.617 2.382 50 0 KEAARN COC(=O)COc1ccc([C@@H](CC(=O)OC)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC ZINC000253411336 572287540 /nfs/dbraw/zinc/28/75/40/572287540.db2.gz OMNSNIJQRUIFAM-KAGYGMCKSA-N 0 0 594.617 2.382 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412885 572288275 /nfs/dbraw/zinc/28/82/75/572288275.db2.gz SJTQCFGPNIJWJG-YWZLYKJASA-N 0 0 513.591 2.162 50 0 KEAARN COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC ZINC000253414349 572288918 /nfs/dbraw/zinc/28/89/18/572288918.db2.gz XFMJHCZPTXJDKG-IMFGXOCKSA-N 0 0 521.570 2.151 50 0 KEAARN COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC ZINC000253414350 572288923 /nfs/dbraw/zinc/28/89/23/572288923.db2.gz XFMJHCZPTXJDKG-KPFFTGBYSA-N 0 0 521.570 2.151 50 0 KEAARN COC(=O)CCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000253414691 572289065 /nfs/dbraw/zinc/28/90/65/572289065.db2.gz YGJPWBSTKPUQDM-YWZLYKJASA-N 0 0 541.601 2.343 50 0 KEAARN O=c1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(CCOc3ccc(F)cc3)CC2)c1O ZINC000253414897 572289130 /nfs/dbraw/zinc/28/91/30/572289130.db2.gz YZJBUJCGVCNPKH-YADHBBJMSA-N 0 0 550.631 2.462 50 0 KEAARN CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C(C)(C)C)cc3)n2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253493919 572291556 /nfs/dbraw/zinc/29/15/56/572291556.db2.gz VUEIIBXTOTUGJY-KAPZOZIZSA-N 0 0 606.698 2.440 50 0 KEAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1C ZINC000253493920 572291570 /nfs/dbraw/zinc/29/15/70/572291570.db2.gz VUEIIBXTOTUGJY-RGFLIBBCSA-N 0 0 606.698 2.440 50 0 KEAARN CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1C ZINC000253493921 572291557 /nfs/dbraw/zinc/29/15/57/572291557.db2.gz VUEIIBXTOTUGJY-WONSJQCUSA-N 0 0 606.698 2.440 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497372 572292031 /nfs/dbraw/zinc/29/20/31/572292031.db2.gz FHAFYTMDIMBRQD-AJIIGFCHSA-N 0 0 592.525 2.255 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497373 572292037 /nfs/dbraw/zinc/29/20/37/572292037.db2.gz FHAFYTMDIMBRQD-KLMIGJKJSA-N 0 0 592.525 2.255 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497397 572292003 /nfs/dbraw/zinc/29/20/03/572292003.db2.gz NNWAGEQDNUVUNB-AJIIGFCHSA-N 0 0 558.536 2.280 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497398 572292005 /nfs/dbraw/zinc/29/20/05/572292005.db2.gz NNWAGEQDNUVUNB-KLMIGJKJSA-N 0 0 558.536 2.280 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497399 572291957 /nfs/dbraw/zinc/29/19/57/572291957.db2.gz NWOGROLFEFUITG-AJIIGFCHSA-N 0 0 576.526 2.419 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497400 572292016 /nfs/dbraw/zinc/29/20/16/572292016.db2.gz NWOGROLFEFUITG-KLMIGJKJSA-N 0 0 576.526 2.419 50 0 KEAARN COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 ZINC000253497401 572292020 /nfs/dbraw/zinc/29/20/20/572292020.db2.gz OSPUWYWJNWIARF-WNJKUOTESA-N 0 0 604.561 2.124 50 0 KEAARN COc1ccc(OCC(=O)c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 ZINC000253497402 572291993 /nfs/dbraw/zinc/29/19/93/572291993.db2.gz OSPUWYWJNWIARF-YTRKHUOHSA-N 0 0 604.561 2.124 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497409 572292014 /nfs/dbraw/zinc/29/20/14/572292014.db2.gz RNTZZLCNXJPCLR-FVYAUOJASA-N 0 0 616.572 2.051 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCO4)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497410 572292138 /nfs/dbraw/zinc/29/21/38/572292138.db2.gz RNTZZLCNXJPCLR-KTBGKDHWSA-N 0 0 616.572 2.051 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccccn2)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497413 572292161 /nfs/dbraw/zinc/29/21/61/572292161.db2.gz TUJBDTAESXDYIX-HKFGFSCZSA-N 0 0 569.519 2.317 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(c2)occ(-c2ccccn2)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497414 572292115 /nfs/dbraw/zinc/29/21/15/572292115.db2.gz TUJBDTAESXDYIX-ZZMHRXRUSA-N 0 0 569.519 2.317 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497419 572292113 /nfs/dbraw/zinc/29/21/13/572292113.db2.gz YKEMJYWTAXGIRJ-AJIIGFCHSA-N 0 0 576.526 2.419 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccccc3F)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253497420 572292156 /nfs/dbraw/zinc/29/21/56/572292156.db2.gz YKEMJYWTAXGIRJ-KLMIGJKJSA-N 0 0 576.526 2.419 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253500255 572294174 /nfs/dbraw/zinc/29/41/74/572294174.db2.gz DHEYTJVPOXJDMJ-BONDPLATSA-N 0 0 579.580 2.044 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253500258 572294090 /nfs/dbraw/zinc/29/40/90/572294090.db2.gz DHEYTJVPOXJDMJ-HEXNFIEUSA-N 0 0 579.580 2.044 50 0 KEAARN COc1cc(C(=O)NCc2ccccc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000253503606 572296152 /nfs/dbraw/zinc/29/61/52/572296152.db2.gz LBINJDLQVHABOX-DYXRGMLLSA-N 0 0 587.578 2.087 50 0 KEAARN COc1cc(C(=O)NCc2ccccc2)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000253503611 572296148 /nfs/dbraw/zinc/29/61/48/572296148.db2.gz LBINJDLQVHABOX-LMFHIIRPSA-N 0 0 587.578 2.087 50 0 KEAARN CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](O)C[C@@]43O)C2)[C@@H]1O ZINC000253530077 572298112 /nfs/dbraw/zinc/29/81/12/572298112.db2.gz CPFNIKYEDJFRAT-NSVUBOHWSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](O)C[C@@]43O)C2)[C@H]1O ZINC000253530078 572298117 /nfs/dbraw/zinc/29/81/17/572298117.db2.gz CPFNIKYEDJFRAT-NXRPNZOLSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](O)C[C@]43O)C2)[C@@H]1O ZINC000253530079 572298120 /nfs/dbraw/zinc/29/81/20/572298120.db2.gz CPFNIKYEDJFRAT-YTUMRYJVSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](O)C[C@]43O)C2)[C@H]1O ZINC000253530080 572298118 /nfs/dbraw/zinc/29/81/18/572298118.db2.gz CPFNIKYEDJFRAT-ZSLWRFLFSA-N 0 0 550.689 2.081 50 0 KEAARN COc1ccc(OCC(=O)c2ccc(OC[C@@H]3O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 ZINC000253530225 572298200 /nfs/dbraw/zinc/29/82/00/572298200.db2.gz OYBAMXUCHZQZPJ-WNJKUOTESA-N 0 0 604.561 2.124 50 0 KEAARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O ZINC000253530271 572298263 /nfs/dbraw/zinc/29/82/63/572298263.db2.gz WPKQVDYSPWCVGM-ACLXTEGSSA-N 0 0 550.689 2.227 50 0 KEAARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O ZINC000253530272 572298255 /nfs/dbraw/zinc/29/82/55/572298255.db2.gz WPKQVDYSPWCVGM-FHUITGKVSA-N 0 0 550.689 2.227 50 0 KEAARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O ZINC000253530273 572298262 /nfs/dbraw/zinc/29/82/62/572298262.db2.gz WPKQVDYSPWCVGM-KLMOFONMSA-N 0 0 550.689 2.227 50 0 KEAARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O ZINC000253530274 572298252 /nfs/dbraw/zinc/29/82/52/572298252.db2.gz WPKQVDYSPWCVGM-OEUIKRKZSA-N 0 0 550.689 2.227 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2[C@@H]2C[C@H](OC(C)=O)C=CO2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253532402 572299125 /nfs/dbraw/zinc/29/91/25/572299125.db2.gz JXMZPJRMEOMETR-BMBDMZEMSA-N 0 0 564.540 2.055 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2[C@H]2C[C@@H](OC(C)=O)C=CO2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253532403 572299146 /nfs/dbraw/zinc/29/91/46/572299146.db2.gz JXMZPJRMEOMETR-HCDIAQSRSA-N 0 0 564.540 2.055 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2[C@H]2C[C@H](OC(C)=O)C=CO2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253532404 572299147 /nfs/dbraw/zinc/29/91/47/572299147.db2.gz JXMZPJRMEOMETR-SLFAMVEYSA-N 0 0 564.540 2.055 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2[C@@H]2C[C@@H](OC(C)=O)C=CO2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253532405 572299150 /nfs/dbraw/zinc/29/91/50/572299150.db2.gz JXMZPJRMEOMETR-XHWBIBJTSA-N 0 0 564.540 2.055 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c2O3)C[C@@H](C)O1 ZINC000253602648 572300699 /nfs/dbraw/zinc/30/06/99/572300699.db2.gz DNKAKTFQLZRCKS-NENAYYCWSA-N 0 0 763.935 2.019 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c2O3)C[C@H](C)O1 ZINC000253602650 572300713 /nfs/dbraw/zinc/30/07/13/572300713.db2.gz DNKAKTFQLZRCKS-NVNANWAMSA-N 0 0 763.935 2.019 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c2O3)C[C@@H](C)O1 ZINC000253602654 572300717 /nfs/dbraw/zinc/30/07/17/572300717.db2.gz DNKAKTFQLZRCKS-PTROGCMSSA-N 0 0 763.935 2.019 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c2O3)C[C@H](C)O1 ZINC000253602655 572300710 /nfs/dbraw/zinc/30/07/10/572300710.db2.gz DNKAKTFQLZRCKS-WMXKIEPZSA-N 0 0 763.935 2.019 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc2CC3)C[C@H](C)O1 ZINC000253604609 572300781 /nfs/dbraw/zinc/30/07/81/572300781.db2.gz ZLETZNDTIZHQDN-FGYAAKKASA-N 0 0 598.765 2.214 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2CC3)C[C@H](C)O1 ZINC000253604610 572300799 /nfs/dbraw/zinc/30/07/99/572300799.db2.gz ZLETZNDTIZHQDN-LWYYNNOASA-N 0 0 598.765 2.214 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)ccc2CC3)C[C@@H](C)O1 ZINC000253604611 572300796 /nfs/dbraw/zinc/30/07/96/572300796.db2.gz ZLETZNDTIZHQDN-WTGUMLROSA-N 0 0 598.765 2.214 50 0 KEAARN C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)c2cc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)ccc2CC3)C[C@@H](C)O1 ZINC000253604612 572300769 /nfs/dbraw/zinc/30/07/69/572300769.db2.gz ZLETZNDTIZHQDN-XLLXOSNRSA-N 0 0 598.765 2.214 50 0 KEAARN CC(=O)N[C@@H]1[C@H](OCCOc2ccc(Cl)cc2Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000253982827 1066421934 /nfs/dbraw/zinc/42/19/34/1066421934.db2.gz ALDVCNIWGUAYRR-CDJZJNNCSA-N 0 0 536.361 2.045 50 0 KEAARN CC(=O)N[C@@H]1[C@H](OCCOc2ccc(Cl)cc2Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253982832 1066422023 /nfs/dbraw/zinc/42/20/23/1066422023.db2.gz ALDVCNIWGUAYRR-LLVBAIKDSA-N 0 0 536.361 2.045 50 0 KEAARN CC(=O)N[C@@H]1[C@H](OCCOc2ccc(Cl)cc2Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000253982834 1066421953 /nfs/dbraw/zinc/42/19/53/1066421953.db2.gz ALDVCNIWGUAYRR-OQEHDIDLSA-N 0 0 536.361 2.045 50 0 KEAARN CC(=O)N[C@@H]1[C@H](OCCOc2ccc(Cl)cc2Cl)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000253982837 1066421993 /nfs/dbraw/zinc/42/19/93/1066421993.db2.gz ALDVCNIWGUAYRR-PVIWCNJMSA-N 0 0 536.361 2.045 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O ZINC000254013478 572302029 /nfs/dbraw/zinc/30/20/29/572302029.db2.gz SOPZOCCINHAAOP-KCPVZMMQSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O ZINC000254013482 572302026 /nfs/dbraw/zinc/30/20/26/572302026.db2.gz SOPZOCCINHAAOP-OCJQOJNQSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O ZINC000254013487 572302028 /nfs/dbraw/zinc/30/20/28/572302028.db2.gz SOPZOCCINHAAOP-QUUNAQQJSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O ZINC000254013490 572302013 /nfs/dbraw/zinc/30/20/13/572302013.db2.gz SOPZOCCINHAAOP-VDIARHEBSA-N 0 0 550.689 2.081 50 0 KEAARN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)CC1 ZINC000254354448 1066422014 /nfs/dbraw/zinc/42/20/14/1066422014.db2.gz UICFQEOJRQOBMB-UHFFFAOYSA-N 0 0 510.566 2.168 50 0 KEAARN CCOc1ccc(-n2c(=O)c(=Cc3ccc(C(=O)OC)cc3)sc2=C(C#N)C(=O)N2CCCC2)cc1 ZINC000254387622 1066421981 /nfs/dbraw/zinc/42/19/81/1066421981.db2.gz XRVKFMQFRUJRLP-UHFFFAOYSA-N 0 0 503.580 2.210 50 0 KEAARN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C)cc3)c2=O)c(OC)c1OC ZINC000254404364 1066359099 /nfs/dbraw/zinc/35/90/99/1066359099.db2.gz RPEMZDSHLGKMRZ-UHFFFAOYSA-N 0 0 505.596 2.359 50 0 KEAARN CCc1cc(=O)oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(Cl)cc12 ZINC000254410876 572302621 /nfs/dbraw/zinc/30/26/21/572302621.db2.gz HYVXPHGGLPRFAX-NHYJECHLSA-N 0 0 554.932 2.471 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000254439726 1066422628 /nfs/dbraw/zinc/42/26/28/1066422628.db2.gz VMNNTIGOSYMCKA-UHFFFAOYSA-N 0 0 620.149 2.012 50 0 KEAARN Cc1ccc(C)c(-n2c(=O)c(=Cc3ccc(OC(F)F)cc3)sc2=C(C#N)C(=O)NCCN2CCOCC2)c1 ZINC000254441455 1066422368 /nfs/dbraw/zinc/42/23/68/1066422368.db2.gz PJDRKQFAHDZHEH-UHFFFAOYSA-N 0 0 554.619 2.069 50 0 KEAARN O=C(COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)N=c1sccn1Cc1ccccc1Cl ZINC000254478658 1066422518 /nfs/dbraw/zinc/42/25/18/1066422518.db2.gz GOAVSYHLLIFBHZ-UHFFFAOYSA-N 0 0 519.004 2.351 50 0 KEAARN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccccc1F ZINC000254482514 1066422640 /nfs/dbraw/zinc/42/26/40/1066422640.db2.gz SRCQNZHRIBSPDF-UHFFFAOYSA-N 0 0 546.546 2.008 50 0 KEAARN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N=c2sccn2Cc2ccc(C)cc2)cc1 ZINC000254497603 1066422611 /nfs/dbraw/zinc/42/26/11/1066422611.db2.gz FYZXDAZXYRGPFA-KRWDZBQOSA-N 0 0 503.602 2.252 50 0 KEAARN Cn1cnnc1Sc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000254507262 1066422566 /nfs/dbraw/zinc/42/25/66/1066422566.db2.gz HZKIUNGKOFCNRA-UHFFFAOYSA-N 0 0 559.633 2.212 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc3ccccc3c2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000254510983 1066423645 /nfs/dbraw/zinc/42/36/45/1066423645.db2.gz QBFPHWPJPABSLG-UHFFFAOYSA-N 0 0 516.575 2.281 50 0 KEAARN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(F)cc1 ZINC000254515278 1066423291 /nfs/dbraw/zinc/42/32/91/1066423291.db2.gz ZFRZIQMCCCYCHO-UHFFFAOYSA-N 0 0 501.486 2.001 50 0 KEAARN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000254532239 1066423575 /nfs/dbraw/zinc/42/35/75/1066423575.db2.gz WBMGYBHOVQWDME-UHFFFAOYSA-N 0 0 561.010 2.105 50 0 KEAARN CCOc1cc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O ZINC000254567097 1066423690 /nfs/dbraw/zinc/42/36/90/1066423690.db2.gz QCTGSAYEUYFITP-UHFFFAOYSA-N 0 0 515.342 2.241 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000254567532 1066423487 /nfs/dbraw/zinc/42/34/87/1066423487.db2.gz WZUFIDFJMAVUPY-ABSDTBQOSA-N 0 0 502.633 2.040 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000254567536 1066423475 /nfs/dbraw/zinc/42/34/75/1066423475.db2.gz WZUFIDFJMAVUPY-FUHIMQAGSA-N 0 0 502.633 2.040 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000254567538 1066423496 /nfs/dbraw/zinc/42/34/96/1066423496.db2.gz WZUFIDFJMAVUPY-MBOZVWFJSA-N 0 0 502.633 2.040 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000254567541 1066423434 /nfs/dbraw/zinc/42/34/34/1066423434.db2.gz WZUFIDFJMAVUPY-SQGPQFPESA-N 0 0 502.633 2.040 50 0 KEAARN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1-c1ccc(F)cc1 ZINC000254582470 1066423313 /nfs/dbraw/zinc/42/33/13/1066423313.db2.gz OBLDEYGWLAEQMU-UHFFFAOYSA-N 0 0 547.439 2.296 50 0 KEAARN N#CC(C#N)=c1sc(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1-c1ccc(F)cc1 ZINC000254593819 1066423613 /nfs/dbraw/zinc/42/36/13/1066423613.db2.gz USHBLGVAVQHRIM-UHFFFAOYSA-N 0 0 562.604 2.346 50 0 KEAARN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1-c1ccccc1 ZINC000254703684 1066423556 /nfs/dbraw/zinc/42/35/56/1066423556.db2.gz JFYWSEDEOLVRJS-UHFFFAOYSA-N 0 0 616.721 2.305 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1CC(=O)NC[C@@H]1CCCO1 ZINC000254750045 1066423676 /nfs/dbraw/zinc/42/36/76/1066423676.db2.gz XIPYJNYTPXSBHE-KRWDZBQOSA-N 0 0 517.003 2.291 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1CC(=O)NC[C@H]1CCCO1 ZINC000254750049 1066424699 /nfs/dbraw/zinc/42/46/99/1066424699.db2.gz XIPYJNYTPXSBHE-QGZVFWFLSA-N 0 0 517.003 2.291 50 0 KEAARN CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000254772563 572303517 /nfs/dbraw/zinc/30/35/17/572303517.db2.gz ZHDZUDWKWGRQNO-GUBFPNNNSA-N 0 0 500.602 2.011 50 0 KEAARN CC(=NOCC(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000254800983 1066424305 /nfs/dbraw/zinc/42/43/05/1066424305.db2.gz PJLOUSRBKGKTEV-GOSISDBHSA-N 0 0 547.586 2.056 50 0 KEAARN CC(=NOCC(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000254800984 1066424223 /nfs/dbraw/zinc/42/42/23/1066424223.db2.gz PJLOUSRBKGKTEV-SFHVURJKSA-N 0 0 547.586 2.056 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(N3CCOCC3)cc2)c(=O)n1Cc1cc(Cl)cc2c1OCOC2 ZINC000254801204 1066424249 /nfs/dbraw/zinc/42/42/49/1066424249.db2.gz SBXMAXFCQPUDDZ-UHFFFAOYSA-N 0 0 543.041 2.487 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc3c(c2)c2ccccc2n3CC)c(=O)n1CC(=O)N1CCOCC1 ZINC000254808392 1066424275 /nfs/dbraw/zinc/42/42/75/1066424275.db2.gz HGYSKDXVBHOJOA-UHFFFAOYSA-N 0 0 519.623 2.069 50 0 KEAARN COc1cc(C=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc(Br)c1OC(C)=O ZINC000254809078 1066424191 /nfs/dbraw/zinc/42/41/91/1066424191.db2.gz USYVJXCMSMQLSP-UHFFFAOYSA-N 0 0 500.330 2.422 50 0 KEAARN CC(=NOCC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc2c(c1)OCO2 ZINC000254815296 1066424761 /nfs/dbraw/zinc/42/47/61/1066424761.db2.gz OCSMQVFUWUPZGX-INIZCTEOSA-N 0 0 505.549 2.285 50 0 KEAARN CC(=NOCC(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc2c(c1)OCO2 ZINC000254815297 1066424158 /nfs/dbraw/zinc/42/41/58/1066424158.db2.gz OCSMQVFUWUPZGX-MRXNPFEDSA-N 0 0 505.549 2.285 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000254839028 1066424484 /nfs/dbraw/zinc/42/44/84/1066424484.db2.gz RWDMKFHQXCSUST-CMKODMSKSA-N 0 0 516.660 2.430 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000254839029 1066424773 /nfs/dbraw/zinc/42/47/73/1066424773.db2.gz RWDMKFHQXCSUST-NLWGTHIKSA-N 0 0 516.660 2.430 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000254839030 1066424784 /nfs/dbraw/zinc/42/47/84/1066424784.db2.gz RWDMKFHQXCSUST-QWFCFKBJSA-N 0 0 516.660 2.430 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(OC)c(OCC)c2)c(=O)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000254839031 1066424451 /nfs/dbraw/zinc/42/44/51/1066424451.db2.gz RWDMKFHQXCSUST-WSTZPKSXSA-N 0 0 516.660 2.430 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000254841167 1066425608 /nfs/dbraw/zinc/42/56/08/1066425608.db2.gz MUBLPUKJJKBVGY-UHFFFAOYSA-N 0 0 546.601 2.289 50 0 KEAARN CCNC(=O)COc1ccc(C=NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000254854343 1066425489 /nfs/dbraw/zinc/42/54/89/1066425489.db2.gz ZVPADCJKRDRIKZ-FQEVSTJZSA-N 0 0 516.620 2.070 50 0 KEAARN CCNC(=O)COc1ccc(C=NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC ZINC000254854345 1066425603 /nfs/dbraw/zinc/42/56/03/1066425603.db2.gz ZVPADCJKRDRIKZ-HXUWFJFHSA-N 0 0 516.620 2.070 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1CC(=O)Nc1ccccc1C ZINC000254873154 1066425583 /nfs/dbraw/zinc/42/55/83/1066425583.db2.gz FEBSAZQWRDXGFG-UHFFFAOYSA-N 0 0 637.736 2.310 50 0 KEAARN CCOC(=O)C=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1cc(Cl)cc2c1OCOC2 ZINC000254897605 1066425527 /nfs/dbraw/zinc/42/55/27/1066425527.db2.gz LYPLMWUTZVDLRE-UHFFFAOYSA-N 0 0 515.971 2.437 50 0 KEAARN COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(C)=O ZINC000255969578 572304336 /nfs/dbraw/zinc/30/43/36/572304336.db2.gz DMLKUPXKUQREOC-IUSCBXDMSA-N 0 0 575.412 2.186 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O ZINC000256412435 572305575 /nfs/dbraw/zinc/30/55/75/572305575.db2.gz DKYDBQQIQAPGMH-FKAFNTPVSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@H]1[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O ZINC000256412441 572305577 /nfs/dbraw/zinc/30/55/77/572305577.db2.gz DKYDBQQIQAPGMH-IBAZFXNWSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O ZINC000256412448 572305581 /nfs/dbraw/zinc/30/55/81/572305581.db2.gz DKYDBQQIQAPGMH-LLAOAMLTSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@H]1[C@@H](O)[C@H](O[C@H]2C[C@H](O)[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O ZINC000256412455 572305599 /nfs/dbraw/zinc/30/55/99/572305599.db2.gz DKYDBQQIQAPGMH-XXTVXISCSA-N 0 0 550.689 2.081 50 0 KEAARN CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 ZINC000257173786 572305848 /nfs/dbraw/zinc/30/58/48/572305848.db2.gz XAKSFGPHKQCSPF-GZGBDJLISA-N 0 0 541.645 2.207 50 0 KEAARN COc1ccc(CN2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)cc1Cn1ccnc1 ZINC000257175093 1066215862 /nfs/dbraw/zinc/21/58/62/1066215862.db2.gz ABJIFFRMRYLOKZ-UHFFFAOYSA-N 0 0 511.648 2.343 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)CCC(=O)NCC3)CC2)c1 ZINC000257175998 1066215779 /nfs/dbraw/zinc/21/57/79/1066215779.db2.gz BVIAHJPSMOMMIU-JOCHJYFZSA-N 0 0 528.675 2.341 50 0 KEAARN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)CCC(=O)NCC3)CC2)c1 ZINC000257175999 1066215827 /nfs/dbraw/zinc/21/58/27/1066215827.db2.gz BVIAHJPSMOMMIU-QFIPXVFZSA-N 0 0 528.675 2.341 50 0 KEAARN CC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCc3nnc(-c4cccnc4)n3CC2)CC1 ZINC000257178191 1066216214 /nfs/dbraw/zinc/21/62/14/1066216214.db2.gz FXTLSUPMGCCYKU-HSZRJFAPSA-N 0 0 565.700 2.064 50 0 KEAARN CC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)CCc3nnc(-c4cccnc4)n3CC2)CC1 ZINC000257178193 1066216224 /nfs/dbraw/zinc/21/62/24/1066216224.db2.gz FXTLSUPMGCCYKU-QHCPKHFHSA-N 0 0 565.700 2.064 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(c2ccccc2F)CC1 ZINC000257178456 1066216607 /nfs/dbraw/zinc/21/66/07/1066216607.db2.gz GITTYCFIZMXRCW-NRFANRHFSA-N 0 0 516.639 2.472 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(c2ccccc2F)CC1 ZINC000257178457 1066216837 /nfs/dbraw/zinc/21/68/37/1066216837.db2.gz GITTYCFIZMXRCW-OAQYLSRUSA-N 0 0 516.639 2.472 50 0 KEAARN COc1ccccc1OCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257178489 1066216503 /nfs/dbraw/zinc/21/65/03/1066216503.db2.gz GLSOQDRGRGGESX-FQEVSTJZSA-N 0 0 503.621 2.188 50 0 KEAARN COc1ccccc1OCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257178490 1066216525 /nfs/dbraw/zinc/21/65/25/1066216525.db2.gz GLSOQDRGRGGESX-HXUWFJFHSA-N 0 0 503.621 2.188 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CCNC(=O)CC2)c1 ZINC000257178873 1066356267 /nfs/dbraw/zinc/35/62/67/1066356267.db2.gz HJDYSLDFFUDTGS-KRWDZBQOSA-N 0 0 515.558 2.052 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CCNC(=O)CC2)c1 ZINC000257178874 1066356147 /nfs/dbraw/zinc/35/61/47/1066356147.db2.gz HJDYSLDFFUDTGS-QGZVFWFLSA-N 0 0 515.558 2.052 50 0 KEAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257179194 1066356212 /nfs/dbraw/zinc/35/62/12/1066356212.db2.gz ICCBUCHCRCJSAE-NRFANRHFSA-N 0 0 514.648 2.459 50 0 KEAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257179196 1066356356 /nfs/dbraw/zinc/35/63/56/1066356356.db2.gz ICCBUCHCRCJSAE-OAQYLSRUSA-N 0 0 514.648 2.459 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c1 ZINC000257179511 1066216734 /nfs/dbraw/zinc/21/67/34/1066216734.db2.gz IWYODFSQHQJYIC-INIZCTEOSA-N 0 0 516.580 2.009 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c1 ZINC000257179513 1066216621 /nfs/dbraw/zinc/21/66/21/1066216621.db2.gz IWYODFSQHQJYIC-MRXNPFEDSA-N 0 0 516.580 2.009 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(Cc2ccccc2)CC1 ZINC000257181188 1066216792 /nfs/dbraw/zinc/21/67/92/1066216792.db2.gz MSIBKXLYONDJNQ-DEOSSOPVSA-N 0 0 512.676 2.328 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(Cc2ccccc2)CC1 ZINC000257181189 1066216636 /nfs/dbraw/zinc/21/66/36/1066216636.db2.gz MSIBKXLYONDJNQ-XMMPIXPASA-N 0 0 512.676 2.328 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000257182179 1066216715 /nfs/dbraw/zinc/21/67/15/1066216715.db2.gz OTSATZFENRNOOG-NRFANRHFSA-N 0 0 516.639 2.472 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000257182181 1066216781 /nfs/dbraw/zinc/21/67/81/1066216781.db2.gz OTSATZFENRNOOG-OAQYLSRUSA-N 0 0 516.639 2.472 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(Cc2ccccc2F)CC1 ZINC000257182346 1066216573 /nfs/dbraw/zinc/21/65/73/1066216573.db2.gz OZPSEYXLAIAABS-JOCHJYFZSA-N 0 0 530.666 2.467 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1)N1CCN(Cc2ccccc2F)CC1 ZINC000257182348 1066356442 /nfs/dbraw/zinc/35/64/42/1066356442.db2.gz OZPSEYXLAIAABS-QFIPXVFZSA-N 0 0 530.666 2.467 50 0 KEAARN COc1cccc(CC(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)CCNC(=O)CC2)c1 ZINC000257182349 1066356328 /nfs/dbraw/zinc/35/63/28/1066356328.db2.gz OZRUPRJZGOSKAN-HSZRJFAPSA-N 0 0 507.635 2.117 50 0 KEAARN COc1cccc(CC(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccn4)CC3)CCNC(=O)CC2)c1 ZINC000257182351 1066356373 /nfs/dbraw/zinc/35/63/73/1066356373.db2.gz OZRUPRJZGOSKAN-QHCPKHFHSA-N 0 0 507.635 2.117 50 0 KEAARN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccccc2F)CCC(=O)NCC1)N1CCN(c2ccccn2)CC1 ZINC000257182768 1066217428 /nfs/dbraw/zinc/21/74/28/1066217428.db2.gz QCILICMRYLXZJB-NRFANRHFSA-N 0 0 531.654 2.008 50 0 KEAARN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccccc2F)CCC(=O)NCC1)N1CCN(c2ccccn2)CC1 ZINC000257182770 1066356183 /nfs/dbraw/zinc/35/61/83/1066356183.db2.gz QCILICMRYLXZJB-OAQYLSRUSA-N 0 0 531.654 2.008 50 0 KEAARN COc1ccc(OC)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)c1 ZINC000257182784 1066217298 /nfs/dbraw/zinc/21/72/98/1066217298.db2.gz QDEJCPVIWWUROW-IBGZPJMESA-N 0 0 503.621 2.317 50 0 KEAARN COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)c1 ZINC000257182785 1066217544 /nfs/dbraw/zinc/21/75/44/1066217544.db2.gz QDEJCPVIWWUROW-LJQANCHMSA-N 0 0 503.621 2.317 50 0 KEAARN Cc1nn(C)c(C)c1CCCN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257185170 1066217475 /nfs/dbraw/zinc/21/74/75/1066217475.db2.gz WDGMPEHOEDUTBP-JOCHJYFZSA-N 0 0 517.696 2.425 50 0 KEAARN Cc1nn(C)c(C)c1CCCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257185173 1066357096 /nfs/dbraw/zinc/35/70/96/1066357096.db2.gz WDGMPEHOEDUTBP-QFIPXVFZSA-N 0 0 517.696 2.425 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC[C@H](Cc2nncn2CC2CC2)C1 ZINC000257185563 1066217171 /nfs/dbraw/zinc/21/71/71/1066217171.db2.gz JQCJCHWNQDXLQV-GOSISDBHSA-N 0 0 513.624 2.106 50 0 KEAARN O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCC[C@@H](Cc2nncn2CC2CC2)C1 ZINC000257185565 1066217421 /nfs/dbraw/zinc/21/74/21/1066217421.db2.gz JQCJCHWNQDXLQV-SFHVURJKSA-N 0 0 513.624 2.106 50 0 KEAARN Cc1ccccc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccn3)CC2)CCNC(=O)CC1 ZINC000257185934 1066217138 /nfs/dbraw/zinc/21/71/38/1066217138.db2.gz YAAWCRANGJDERP-JOCHJYFZSA-N 0 0 513.664 2.036 50 0 KEAARN Cc1ccccc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccn3)CC2)CCNC(=O)CC1 ZINC000257185936 1066217536 /nfs/dbraw/zinc/21/75/36/1066217536.db2.gz YAAWCRANGJDERP-QFIPXVFZSA-N 0 0 513.664 2.036 50 0 KEAARN COc1cccc(CC(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)[C@H](c3ccccc3)CC(=O)NCC2)c1 ZINC000257186148 1066217530 /nfs/dbraw/zinc/21/75/30/1066217530.db2.gz KDLRUWKIWDRRQD-DEOSSOPVSA-N 0 0 539.658 2.142 50 0 KEAARN COc1cccc(CC(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)[C@@H](c3ccccc3)CC(=O)NCC2)c1 ZINC000257186149 1066217313 /nfs/dbraw/zinc/21/73/13/1066217313.db2.gz KDLRUWKIWDRRQD-XMMPIXPASA-N 0 0 539.658 2.142 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3)CCNC(=O)CC2)c1 ZINC000257186474 1066357383 /nfs/dbraw/zinc/35/73/83/1066357383.db2.gz ZEKHXXZFBHVZIZ-FQEVSTJZSA-N 0 0 503.621 2.317 50 0 KEAARN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3)CCNC(=O)CC2)c1 ZINC000257186476 1066217399 /nfs/dbraw/zinc/21/73/99/1066217399.db2.gz ZEKHXXZFBHVZIZ-HXUWFJFHSA-N 0 0 503.621 2.317 50 0 KEAARN COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@H](CO)[C@H]2C(=O)Nc2cnccn2)OCO4)cc(OC)c1OC ZINC000257186678 1066217409 /nfs/dbraw/zinc/21/74/09/1066217409.db2.gz KRFHTOBGTZRCRI-VBICKZDXSA-N 0 0 509.515 2.273 50 0 KEAARN CCN1CCN(C(=O)[C@H]2[C@H](CO)[C@@H](O)c3cc4c(cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)OCO4)CC1 ZINC000257188899 1066357235 /nfs/dbraw/zinc/35/72/35/1066357235.db2.gz NEEDHHOTKRLMBP-JYVYKJRCSA-N 0 0 528.602 2.009 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000257189787 1066357177 /nfs/dbraw/zinc/35/71/77/1066357177.db2.gz OCMLTGHVTNQDPZ-HSZRJFAPSA-N 0 0 527.622 2.273 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257189788 1066217930 /nfs/dbraw/zinc/21/79/30/1066217930.db2.gz OCMLTGHVTNQDPZ-QHCPKHFHSA-N 0 0 527.622 2.273 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3ccccc3)CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000257190135 1066218149 /nfs/dbraw/zinc/21/81/49/1066218149.db2.gz OKCOEFHKQFEKJY-HSZRJFAPSA-N 0 0 509.632 2.133 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)Cc3ccccc3)CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257190136 1066218068 /nfs/dbraw/zinc/21/80/68/1066218068.db2.gz OKCOEFHKQFEKJY-QHCPKHFHSA-N 0 0 509.632 2.133 50 0 KEAARN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257191242 1066218086 /nfs/dbraw/zinc/21/80/86/1066218086.db2.gz PNUQZJUSJQLJSB-NRFANRHFSA-N 0 0 501.605 2.386 50 0 KEAARN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257191244 1066217876 /nfs/dbraw/zinc/21/78/76/1066217876.db2.gz PNUQZJUSJQLJSB-OAQYLSRUSA-N 0 0 501.605 2.386 50 0 KEAARN COCCCn1c(C)cc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)c1C ZINC000257191369 1066218096 /nfs/dbraw/zinc/21/80/96/1066218096.db2.gz PQKINMRUUQZWOH-UHFFFAOYSA-N 0 0 504.653 2.185 50 0 KEAARN CCOCCCNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000257192040 1066217947 /nfs/dbraw/zinc/21/79/47/1066217947.db2.gz QFOKSYIIYORAGS-PVUOONDNSA-N 0 0 517.575 2.388 50 0 KEAARN O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3ccc4c(c3)CCC4)[C@H]2C1 ZINC000257195979 1066218588 /nfs/dbraw/zinc/21/85/88/1066218588.db2.gz XGTWRWZNRUVOFZ-SDUSCBPUSA-N 0 0 527.691 2.333 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)COCc3ccccc3)CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257196795 1066218563 /nfs/dbraw/zinc/21/85/63/1066218563.db2.gz YXBVZFDGZZYTIF-DEOSSOPVSA-N 0 0 539.658 2.108 50 0 KEAARN Cn1cnc(S(=O)(=O)N2CCCN(C(=O)COCc3ccccc3)CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000257196796 1066218723 /nfs/dbraw/zinc/21/87/23/1066218723.db2.gz YXBVZFDGZZYTIF-XMMPIXPASA-N 0 0 539.658 2.108 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@H]1O ZINC000257346999 572320633 /nfs/dbraw/zinc/32/06/33/572320633.db2.gz MABTYQWWFMMYTE-FBGLIEHESA-N 0 0 550.689 2.225 50 0 in-vitro KEAARN CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H]1O ZINC000257347000 572320621 /nfs/dbraw/zinc/32/06/21/572320621.db2.gz MABTYQWWFMMYTE-GCCDDHSMSA-N 0 0 550.689 2.225 50 0 in-vitro KEAARN CO[C@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@@H]1O ZINC000257347001 572320623 /nfs/dbraw/zinc/32/06/23/572320623.db2.gz MABTYQWWFMMYTE-NCDNOUEKSA-N 0 0 550.689 2.225 50 0 in-vitro KEAARN CO[C@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@@H](C)[C@H]1O ZINC000257347002 572320625 /nfs/dbraw/zinc/32/06/25/572320625.db2.gz MABTYQWWFMMYTE-NJPDADJDSA-N 0 0 550.689 2.225 50 0 in-vitro KEAARN CO[C@@H]1[C@@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O ZINC000257347097 572320699 /nfs/dbraw/zinc/32/06/99/572320699.db2.gz SOPZOCCINHAAOP-CIEAYDRBSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)O[C@H](C)[C@@H]1O ZINC000257347098 572320713 /nfs/dbraw/zinc/32/07/13/572320713.db2.gz SOPZOCCINHAAOP-CQLSBROJSA-N 0 0 550.689 2.081 50 0 KEAARN CO[C@@H]1[C@@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@H](C5=CC(=O)OC5)CC[C@@]43O)C2)O[C@H](C)[C@@H]1O ZINC000257347099 572320653 /nfs/dbraw/zinc/32/06/53/572320653.db2.gz SOPZOCCINHAAOP-SOQUQHDISA-N 0 0 550.689 2.081 50 0 KEAARN COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5CC[C@H]([C@H](O)CO)[C@@]5(C)CC(=O)[C@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257348506 572321234 /nfs/dbraw/zinc/32/12/34/572321234.db2.gz GLMIQGQKWHKYQV-FGJAYGOQSA-N 0 0 666.761 2.256 50 0 KEAARN COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5CC[C@H]([C@H](O)CO)[C@]5(C)CC(=O)[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257348507 572321291 /nfs/dbraw/zinc/32/12/91/572321291.db2.gz GLMIQGQKWHKYQV-OXIVFLQLSA-N 0 0 666.761 2.256 50 0 KEAARN COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5CC[C@H]([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257348508 572321253 /nfs/dbraw/zinc/32/12/53/572321253.db2.gz GLMIQGQKWHKYQV-QJPCASOASA-N 0 0 666.761 2.256 50 0 KEAARN COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5CC[C@H]([C@H](O)CO)[C@]5(C)CC(=O)[C@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257348509 572321263 /nfs/dbraw/zinc/32/12/63/572321263.db2.gz GLMIQGQKWHKYQV-RLQWKPGCSA-N 0 0 666.761 2.256 50 0 KEAARN COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257348615 572321383 /nfs/dbraw/zinc/32/13/83/572321383.db2.gz HJWQNRJTSHMWSL-LRNWJPFFSA-N 0 0 722.781 2.150 50 0 KEAARN COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4C(=O)C[C@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257348616 572321400 /nfs/dbraw/zinc/32/14/00/572321400.db2.gz HJWQNRJTSHMWSL-PYZYZKDYSA-N 0 0 722.781 2.150 50 0 KEAARN COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257348617 572321325 /nfs/dbraw/zinc/32/13/25/572321325.db2.gz HJWQNRJTSHMWSL-QKZGBNQJSA-N 0 0 722.781 2.150 50 0 KEAARN COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257348618 572321381 /nfs/dbraw/zinc/32/13/81/572321381.db2.gz HJWQNRJTSHMWSL-ZLWJLQESSA-N 0 0 722.781 2.150 50 0 KEAARN CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@@H]5OC(C)(C)OC[C@@]54[C@@H]3[C@H](O)C[C@@]12C ZINC000257349061 572321475 /nfs/dbraw/zinc/32/14/75/572321475.db2.gz LGDAHNTXQYCQII-MSMXRJLRSA-N 0 0 510.624 2.082 50 0 KEAARN CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@@H]5OC(C)(C)OC[C@@]54[C@H]3[C@H](O)C[C@]12C ZINC000257349062 572321489 /nfs/dbraw/zinc/32/14/89/572321489.db2.gz LGDAHNTXQYCQII-QYQKNVJSSA-N 0 0 510.624 2.082 50 0 KEAARN CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@@H]5OC(C)(C)OC[C@@]54[C@H]3[C@H](O)C[C@@]12C ZINC000257349063 572321506 /nfs/dbraw/zinc/32/15/06/572321506.db2.gz LGDAHNTXQYCQII-TYFBXUJXSA-N 0 0 510.624 2.082 50 0 KEAARN CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@@H]5OC(C)(C)OC[C@@]54[C@@H]3[C@H](O)C[C@]12C ZINC000257349064 572321420 /nfs/dbraw/zinc/32/14/20/572321420.db2.gz LGDAHNTXQYCQII-YLMFHKDASA-N 0 0 510.624 2.082 50 0 KEAARN COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5CC[C@@](O)([C@@H](COC(C)=O)OC(C)=O)[C@]5(C)C[C@@H](O)[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257349672 572321586 /nfs/dbraw/zinc/32/15/86/572321586.db2.gz QEDNBKDLADQDEF-LJMZILGPSA-N 0 0 768.850 2.304 50 0 KEAARN COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5CC[C@](O)([C@H](COC(C)=O)OC(C)=O)[C@]5(C)C[C@@H](O)[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257349673 572321600 /nfs/dbraw/zinc/32/16/00/572321600.db2.gz QEDNBKDLADQDEF-NXQLPCTQSA-N 0 0 768.850 2.304 50 0 KEAARN COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5CC[C@](O)([C@@H](COC(C)=O)OC(C)=O)[C@]5(C)C[C@@H](O)[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257349674 572321609 /nfs/dbraw/zinc/32/16/09/572321609.db2.gz QEDNBKDLADQDEF-URNVYFHLSA-N 0 0 768.850 2.304 50 0 KEAARN COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@H]4[C@H]5CC[C@@](O)([C@H](COC(C)=O)OC(C)=O)[C@]5(C)C[C@@H](O)[C@@H]43)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257349675 572321578 /nfs/dbraw/zinc/32/15/78/572321578.db2.gz QEDNBKDLADQDEF-WDZYEESASA-N 0 0 768.850 2.304 50 0 KEAARN CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C/C=C/C(=O)OCC[C@H](C)[C@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@]31CO1 ZINC000257355151 572321856 /nfs/dbraw/zinc/32/18/56/572321856.db2.gz NLUGUZJQJYVUHS-BAULTMLPSA-N 0 0 502.560 2.171 50 0 KEAARN CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C/C=C/C(=O)OCC[C@H](C)[C@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1 ZINC000257355152 572321877 /nfs/dbraw/zinc/32/18/77/572321877.db2.gz NLUGUZJQJYVUHS-CRZGFJSPSA-N 0 0 502.560 2.171 50 0 KEAARN CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)/C=C/C=C/C(=O)OCC[C@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1 ZINC000257355153 572321870 /nfs/dbraw/zinc/32/18/70/572321870.db2.gz NLUGUZJQJYVUHS-UDAYZQAZSA-N 0 0 502.560 2.171 50 0 KEAARN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([NH+](C)C)[C@@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@@]21C ZINC000257358455 572322124 /nfs/dbraw/zinc/32/21/24/572322124.db2.gz UPJBSBKTMAQGDK-AGACTFOVSA-N 0 0 627.776 2.064 50 0 KEAARN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@@]21C ZINC000257358456 572322106 /nfs/dbraw/zinc/32/21/06/572322106.db2.gz UPJBSBKTMAQGDK-FUTPOBGFSA-N 0 0 627.776 2.064 50 0 KEAARN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@@]21C ZINC000257358457 572322127 /nfs/dbraw/zinc/32/21/27/572322127.db2.gz UPJBSBKTMAQGDK-TWEKFDLOSA-N 0 0 627.776 2.064 50 0 KEAARN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@@]21C ZINC000257358458 572322110 /nfs/dbraw/zinc/32/21/10/572322110.db2.gz UPJBSBKTMAQGDK-YBMCCGDTSA-N 0 0 627.776 2.064 50 0 KEAARN COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)CCN(C)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000257372209 1066219181 /nfs/dbraw/zinc/21/91/81/1066219181.db2.gz MOJKRSPPZUMZAD-UKILVPOCSA-N 0 0 561.676 2.100 50 0 KEAARN COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)CCN(C)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1 ZINC000257372210 1066219223 /nfs/dbraw/zinc/21/92/23/1066219223.db2.gz MOJKRSPPZUMZAD-ZCYQVOJMSA-N 0 0 561.676 2.100 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3cccc(C(=O)N4CCNC(=O)C4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585356 572118302 /nfs/dbraw/zinc/11/83/02/572118302.db2.gz HSDAPSULKHYWQD-VWLOTQADSA-N 0 0 643.697 2.486 50 0 KEAARN COC(=O)C[C@H](c1cccc(OCC(N)=O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585453 572118794 /nfs/dbraw/zinc/11/87/94/572118794.db2.gz IVWDBYOKEBJVPO-JOCHJYFZSA-N 0 0 552.580 2.480 50 0 KEAARN COC(=O)C[C@@H](c1cccc(OCC(N)=O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585454 572118591 /nfs/dbraw/zinc/11/85/91/572118591.db2.gz IVWDBYOKEBJVPO-QFIPXVFZSA-N 0 0 552.580 2.480 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(S(=O)(=O)C(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585475 572118858 /nfs/dbraw/zinc/11/88/58/572118858.db2.gz JCAANWDQLJFJPB-QHCPKHFHSA-N 0 0 616.737 2.157 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCC(=O)N3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585664 572119630 /nfs/dbraw/zinc/11/96/30/572119630.db2.gz LEXUHIIWLWHZIW-NRFANRHFSA-N 0 0 552.628 2.014 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCS(=O)(=O)N(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585974 572121236 /nfs/dbraw/zinc/12/12/36/572121236.db2.gz OMEXNPRTVJWPRM-QFIPXVFZSA-N 0 0 604.726 2.063 50 0 KEAARN COc1ccc([C@@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc1OCC(N)=O ZINC000263587096 572126011 /nfs/dbraw/zinc/12/60/11/572126011.db2.gz BZYRORPGTSRLNX-HSZRJFAPSA-N 0 0 537.569 2.244 50 0 KEAARN COc1ccc([C@H](c2n(Cc3ccccc3)c(C)c(C)[n+]2[O-])C2C(=O)OC(C)(C)OC2=O)cc1OCC(N)=O ZINC000263587097 572125893 /nfs/dbraw/zinc/12/58/93/572125893.db2.gz BZYRORPGTSRLNX-QHCPKHFHSA-N 0 0 537.569 2.244 50 0 KEAARN COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@@]2(C)CCCN(CC1)[C@@H]32 ZINC000299804323 572138495 /nfs/dbraw/zinc/13/84/95/572138495.db2.gz TUDNVGVNVMXCQV-UKILVPOCSA-N 0 0 503.621 2.045 50 0 KEAARN COCCCNS(=O)(=O)c1ccc2c(c1)c1c3n2C(C(=O)OCCO)=C[C@]2(C)CCCN(CC1)[C@@H]32 ZINC000299804324 572138581 /nfs/dbraw/zinc/13/85/81/572138581.db2.gz TUDNVGVNVMXCQV-ZCYQVOJMSA-N 0 0 503.621 2.045 50 0 KEAARN CC(=O)OC[C@@H]1O[C@H](Oc2ccc(Cl)c3cccnc23)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000334160745 572153778 /nfs/dbraw/zinc/15/37/78/572153778.db2.gz LMEVVBQLIJYORX-LCNLMQJVSA-N 0 0 509.895 2.350 50 0 KEAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(Cl)c3cccnc23)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000334160746 572153921 /nfs/dbraw/zinc/15/39/21/572153921.db2.gz LMEVVBQLIJYORX-LKZJFHPWSA-N 0 0 509.895 2.350 50 0 KEAARN COc1cc2c3c(c1)C(CN1CCN(C(=O)[C@H]4COc5ccccc5O4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000334161248 572154443 /nfs/dbraw/zinc/15/44/43/572154443.db2.gz XDSKFJSFMJFUEX-HSZRJFAPSA-N 0 0 503.555 2.384 50 0 KEAARN COc1cc2c3c(c1)C(CN1CCN(C(=O)[C@@H]4COc5ccccc5O4)CC1)=CC(C)(C)N3C(=O)C2=O ZINC000334161249 572154340 /nfs/dbraw/zinc/15/43/40/572154340.db2.gz XDSKFJSFMJFUEX-QHCPKHFHSA-N 0 0 503.555 2.384 50 0 KEAARN COc1cc([C@H](CC(=O)NCCn2ccc3c(cnc4ccnn43)c2=O)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729129 1066206271 /nfs/dbraw/zinc/20/62/71/1066206271.db2.gz FFOKWWSWHCKDAN-KRWDZBQOSA-N 0 0 531.525 2.064 50 0 KEAARN COc1cc([C@@H](CC(=O)NCCn2ccc3c(cnc4ccnn43)c2=O)c2oc(C)cc(=O)c2O)ccc1O ZINC000524729130 1066206303 /nfs/dbraw/zinc/20/63/03/1066206303.db2.gz FFOKWWSWHCKDAN-QGZVFWFLSA-N 0 0 531.525 2.064 50 0 KEAARN COc1cc(OC)c([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC ZINC000524729195 1066206183 /nfs/dbraw/zinc/20/61/83/1066206183.db2.gz IEWIZPJHDBIIME-FUHIMQAGSA-N 0 0 551.596 2.160 50 0 KEAARN COc1cc(OC)c([C@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1OC ZINC000524729196 1066206237 /nfs/dbraw/zinc/20/62/37/1066206237.db2.gz IEWIZPJHDBIIME-UWVAXJGDSA-N 0 0 551.596 2.160 50 0 KEAARN COC(=O)c1ccc(NC(=O)CNC(=O)C[C@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)cc1 ZINC000524729934 1066206279 /nfs/dbraw/zinc/20/62/79/1066206279.db2.gz OUEZWHBWDLHMQZ-GOSISDBHSA-N 0 0 510.499 2.432 50 0 KEAARN COC(=O)c1ccc(NC(=O)CNC(=O)C[C@@H](c2ccc(O)c(OC)c2)c2oc(C)cc(=O)c2O)cc1 ZINC000524729935 1066206370 /nfs/dbraw/zinc/20/63/70/1066206370.db2.gz OUEZWHBWDLHMQZ-SFHVURJKSA-N 0 0 510.499 2.432 50 0 KEAARN COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524730109 1066206293 /nfs/dbraw/zinc/20/62/93/1066206293.db2.gz WBZMVKHHJJWYLF-FQEVSTJZSA-N 0 0 524.526 2.361 50 0 KEAARN COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524730110 1066206314 /nfs/dbraw/zinc/20/63/14/1066206314.db2.gz WBZMVKHHJJWYLF-HXUWFJFHSA-N 0 0 524.526 2.361 50 0 KEAARN COc1c2c(c(S(=O)(=O)N3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)c3c1CN(C)CC3)OCO2 ZINC000524730111 1066206353 /nfs/dbraw/zinc/20/63/53/1066206353.db2.gz WCKQNIKOOODVRP-UHFFFAOYSA-N 0 0 531.631 2.346 50 0 KEAARN COc1cc([C@@H](CC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730146 1066206259 /nfs/dbraw/zinc/20/62/59/1066206259.db2.gz XEZHBYABOQBERB-GOSISDBHSA-N 0 0 508.593 2.209 50 0 KEAARN COc1cc([C@H](CC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730147 1066206361 /nfs/dbraw/zinc/20/63/61/1066206361.db2.gz XEZHBYABOQBERB-SFHVURJKSA-N 0 0 508.593 2.209 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCS(=O)(=O)N(C)C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524730661 1066206223 /nfs/dbraw/zinc/20/62/23/1066206223.db2.gz RSWFGZIEQPNPIR-CUNXSJBXSA-N 0 0 618.753 2.307 50 0 KEAARN COc1cc([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc(OC)c1OC ZINC000524731688 1066206864 /nfs/dbraw/zinc/20/68/64/1066206864.db2.gz HNAIFZSOXDCZOZ-IMFGXOCKSA-N 0 0 551.596 2.160 50 0 KEAARN COc1cc([C@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc(OC)c1OC ZINC000524731689 1066206662 /nfs/dbraw/zinc/20/66/62/1066206662.db2.gz HNAIFZSOXDCZOZ-KPFFTGBYSA-N 0 0 551.596 2.160 50 0 KEAARN COc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)c(OC)c1 ZINC000524731949 1066206709 /nfs/dbraw/zinc/20/67/09/1066206709.db2.gz QGVQMGDZHXAYGR-LLGFUMIMSA-N 0 0 521.570 2.151 50 0 KEAARN COc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)c(OC)c1 ZINC000524731950 1066206745 /nfs/dbraw/zinc/20/67/45/1066206745.db2.gz QGVQMGDZHXAYGR-WWMYMODYSA-N 0 0 521.570 2.151 50 0 KEAARN COc1cc([C@H](CC(=O)NCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524732169 1066206924 /nfs/dbraw/zinc/20/69/24/1066206924.db2.gz ZZXPIQVQUQPHFF-GIVPXCGWSA-N 0 0 563.607 2.204 50 0 KEAARN COc1cc([C@@H](CC(=O)NCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524732170 1066206934 /nfs/dbraw/zinc/20/69/34/1066206934.db2.gz ZZXPIQVQUQPHFF-HLAWJBBLSA-N 0 0 563.607 2.204 50 0 KEAARN COC(=O)C[C@H](c1cccc(OCc2ccccn2)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524733689 1066206819 /nfs/dbraw/zinc/20/68/19/1066206819.db2.gz FWZSTTXPISFIHA-HSZRJFAPSA-N 0 0 507.543 2.288 50 0 KEAARN COC(=O)C[C@@H](c1cccc(OCc2ccccn2)c1)c1oc(CN2CCN(C=O)CC2)cc(=O)c1O ZINC000524733690 1066206799 /nfs/dbraw/zinc/20/67/99/1066206799.db2.gz FWZSTTXPISFIHA-QHCPKHFHSA-N 0 0 507.543 2.288 50 0 KEAARN COc1c2c(c(S(=O)(=O)N3CCN(C(=O)COc4ccc(OC(F)(F)F)cc4)CC3)c3c1CN(C)CC3)OCO2 ZINC000524734907 1066206898 /nfs/dbraw/zinc/20/68/98/1066206898.db2.gz UQJZATSWBKOKMI-UHFFFAOYSA-N 0 0 587.573 2.222 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCC(c4nc(C5CCOCC5)no4)CC3)ccc21 ZINC000575313453 1066361901 /nfs/dbraw/zinc/36/19/01/1066361901.db2.gz KPHJSACQUIUMRM-UHFFFAOYSA-N 0 0 516.620 2.443 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCC(C)(c5noc(C6CC6)n5)CC4)CC3)cc2oc1=O ZINC000575313565 1066361986 /nfs/dbraw/zinc/36/19/86/1066361986.db2.gz NNJIBNCZKRJCPJ-UHFFFAOYSA-N 0 0 529.619 2.373 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000575313860 1066361913 /nfs/dbraw/zinc/36/19/13/1066361913.db2.gz QODAEDSWKJEBKX-IBGZPJMESA-N 0 0 507.613 2.375 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc(C4CCOCC4)no3)C2)CC1 ZINC000575313869 1066362012 /nfs/dbraw/zinc/36/20/12/1066362012.db2.gz QODAEDSWKJEBKX-LJQANCHMSA-N 0 0 507.613 2.375 50 0 KEAARN CC1(c2noc(C3CC3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nonc43)CC2)CC1 ZINC000575314164 1066361950 /nfs/dbraw/zinc/36/19/50/1066361950.db2.gz SNXKAAHVZGFILX-UHFFFAOYSA-N 0 0 500.581 2.464 50 0 KEAARN COc1ccc(-c2cc3n(n2)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc4c(c2)oc(=O)n4C)C3)cc1 ZINC000575314198 1066362111 /nfs/dbraw/zinc/36/21/11/1066362111.db2.gz UNJGSSTWGCJAHM-UHFFFAOYSA-N 0 0 525.587 2.057 50 0 KEAARN Cc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCN(S(=O)(=O)N4CCOCC4)CC2)C3)cc1C ZINC000575314255 1066362265 /nfs/dbraw/zinc/36/22/65/1066362265.db2.gz VJUKWRNQNQBOEE-UHFFFAOYSA-N 0 0 501.653 2.188 50 0 KEAARN CCc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCN(S(=O)(=O)N4CCOCC4)CC2)C3)cc1 ZINC000575314467 1066362473 /nfs/dbraw/zinc/36/24/73/1066362473.db2.gz XARUOGPBQUVLHJ-UHFFFAOYSA-N 0 0 501.653 2.134 50 0 KEAARN CN(CC(=O)N1CCC(C)(c2noc(-c3ccccc3)n2)CC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000575314656 1066362455 /nfs/dbraw/zinc/36/24/55/1066362455.db2.gz ZMXDSQURINTSCO-UHFFFAOYSA-N 0 0 525.587 2.382 50 0 KEAARN O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC[C@@H]1c1noc(COCc2ccc(F)cc2)n1 ZINC000575315705 1066362379 /nfs/dbraw/zinc/36/23/79/1066362379.db2.gz YXFJOQNVAPEHJY-JOCHJYFZSA-N 0 0 551.641 2.268 50 0 KEAARN O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC[C@H]1c1noc(COCc2ccc(F)cc2)n1 ZINC000575315706 1066362280 /nfs/dbraw/zinc/36/22/80/1066362280.db2.gz YXFJOQNVAPEHJY-QFIPXVFZSA-N 0 0 551.641 2.268 50 0 KEAARN CC(C)(C(=O)NCCCN1CCOCC1)N(CCc1c[nH]c2ccccc12)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000575443473 1066354535 /nfs/dbraw/zinc/35/45/35/1066354535.db2.gz BIPRABBVDBWGOB-UHFFFAOYSA-N 0 0 559.667 2.452 50 0 KEAARN CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000575552211 1066362508 /nfs/dbraw/zinc/36/25/08/1066362508.db2.gz JYPQAQPIYUGWIQ-ICSRJNTNSA-N 0 0 501.634 2.112 50 0 KEAARN COc1ccccc1N1CCN(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 ZINC000581737440 1066352742 /nfs/dbraw/zinc/35/27/42/1066352742.db2.gz UQRYRFRCFYSGJR-UHFFFAOYSA-N 0 0 509.426 2.382 50 0 KEAARN COc1ccc(-c2cc3n(n2)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc4c(c2)CCC(=O)N4)C3)cc1 ZINC000581777763 1066362360 /nfs/dbraw/zinc/36/23/60/1066362360.db2.gz FMWWYNAFHHBNGQ-UHFFFAOYSA-N 0 0 523.615 2.496 50 0 KEAARN O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCn2nc(-c3cccc(Cl)c3)cc2C1 ZINC000581777765 1066362492 /nfs/dbraw/zinc/36/24/92/1066362492.db2.gz FXPBWXIPFIVPQB-UHFFFAOYSA-N 0 0 508.044 2.225 50 0 KEAARN CCOc1ccc(-c2cc3n(n2)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc4c(c2)oc(=O)n4C)C3)cc1 ZINC000581777794 1066362327 /nfs/dbraw/zinc/36/23/27/1066362327.db2.gz QYMOZUGZDCPGII-UHFFFAOYSA-N 0 0 539.614 2.447 50 0 KEAARN Cc1cccc(-c2cc3n(n2)CCCN(C(=O)CN(C)S(=O)(=O)c2ccc4c(c2)oc(=O)n4C)C3)c1 ZINC000581777808 1066362344 /nfs/dbraw/zinc/36/23/44/1066362344.db2.gz WSDUGVKTIJDJEG-UHFFFAOYSA-N 0 0 509.588 2.356 50 0 KEAARN CC(=O)N1CCc2cc(S(=O)(=O)NCCCC(=O)N3CCC(Cc4nc(C5CCOCC5)no4)CC3)ccc21 ZINC000581783844 1066362308 /nfs/dbraw/zinc/36/23/08/1066362308.db2.gz GUQYLLNWSAYXGU-UHFFFAOYSA-N 0 0 559.689 2.412 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCC(Cc5nc(C6CCOCC6)no5)CC4)C3)cc2oc1=O ZINC000581783989 1066362559 /nfs/dbraw/zinc/36/25/59/1066362559.db2.gz UFVQSPSQJPLBHF-FQEVSTJZSA-N 0 0 573.672 2.291 50 0 KEAARN Cn1c2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCC(Cc5nc(C6CCOCC6)no5)CC4)C3)cc2oc1=O ZINC000581783990 1066362578 /nfs/dbraw/zinc/36/25/78/1066362578.db2.gz UFVQSPSQJPLBHF-HXUWFJFHSA-N 0 0 573.672 2.291 50 0 KEAARN Cn1cnnc1-c1nn(C)c2c1CN(C(=O)CCCN1C(=O)[C@H](c3ccccc3)Oc3cccnc31)CC2 ZINC000581790975 1066362294 /nfs/dbraw/zinc/36/22/94/1066362294.db2.gz JAVGEBUNJGBTFQ-DEOSSOPVSA-N 0 0 512.574 2.442 50 0 KEAARN Cn1cnnc1-c1nn(C)c2c1CN(C(=O)CCCN1C(=O)[C@@H](c3ccccc3)Oc3cccnc31)CC2 ZINC000581790980 1066362837 /nfs/dbraw/zinc/36/28/37/1066362837.db2.gz JAVGEBUNJGBTFQ-XMMPIXPASA-N 0 0 512.574 2.442 50 0 KEAARN CC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000585091593 1066354711 /nfs/dbraw/zinc/35/47/11/1066354711.db2.gz IOOKENPHEAMTTM-AMZZYFJHSA-N 0 0 724.771 2.342 50 0 KEAARN CC[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000585091594 1066354694 /nfs/dbraw/zinc/35/46/94/1066354694.db2.gz IOOKENPHEAMTTM-KKQCDPINSA-N 0 0 724.771 2.342 50 0 KEAARN CC[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000585091595 1066354607 /nfs/dbraw/zinc/35/46/07/1066354607.db2.gz IOOKENPHEAMTTM-KYALDGGBSA-N 0 0 724.771 2.342 50 0 KEAARN CC[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000585091596 1066354489 /nfs/dbraw/zinc/35/44/89/1066354489.db2.gz IOOKENPHEAMTTM-WYNJNVBPSA-N 0 0 724.771 2.342 50 0 KEAARN COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F ZINC000585091599 1066354738 /nfs/dbraw/zinc/35/47/38/1066354738.db2.gz UAXYHAYTVZIGED-UHFFFAOYSA-N 0 0 736.746 2.368 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000585148583 1066362757 /nfs/dbraw/zinc/36/27/57/1066362757.db2.gz COGTYSHJNXDMDT-HHHXNRCGSA-N 0 0 659.794 2.124 50 0 KEAARN NS(=O)(=O)c1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=N[C@@H](CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N32)cc1 ZINC000585148584 1066362810 /nfs/dbraw/zinc/36/28/10/1066362810.db2.gz COGTYSHJNXDMDT-MHZLTWQESA-N 0 0 659.794 2.124 50 0 KEAARN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000585208220 1066362739 /nfs/dbraw/zinc/36/27/39/1066362739.db2.gz VTBPFWMDJAMKQI-UHFFFAOYSA-N 0 0 501.531 2.455 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604405067 1066361091 /nfs/dbraw/zinc/36/10/91/1066361091.db2.gz VHCMTXGKHLVNTL-MBSDFSHPSA-N 0 0 643.697 2.483 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCS(=O)(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604405990 1066361039 /nfs/dbraw/zinc/36/10/39/1066361039.db2.gz WFYIWDAIAMEHML-MBSDFSHPSA-N 0 0 648.804 2.158 50 0 KEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000604419286 1066361019 /nfs/dbraw/zinc/36/10/19/1066361019.db2.gz JWWDCSMXFWUYDU-FKRCVWNDSA-N 0 0 510.572 2.202 50 0 KEAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000604419287 1066361392 /nfs/dbraw/zinc/36/13/92/1066361392.db2.gz JWWDCSMXFWUYDU-PZGSVQSZSA-N 0 0 510.572 2.202 50 0 KEAARN C[C@H]1CN(C2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256491 1066361474 /nfs/dbraw/zinc/36/14/74/1066361474.db2.gz JECSEHRJFNTWDD-HNNXBMFYSA-N 0 0 511.998 2.306 50 0 KEAARN C[C@@H]1CN(C2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256492 1066361595 /nfs/dbraw/zinc/36/15/95/1066361595.db2.gz JECSEHRJFNTWDD-OAHLLOKOSA-N 0 0 511.998 2.306 50 0 KEAARN C[C@@H]1CN(C2CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257064 1066361411 /nfs/dbraw/zinc/36/14/11/1066361411.db2.gz QHWMPZCYCMPHSY-GFCCVEGCSA-N 0 0 536.964 2.319 50 0 KEAARN C[C@H]1CN(C2CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257069 1066361322 /nfs/dbraw/zinc/36/13/22/1066361322.db2.gz QHWMPZCYCMPHSY-LBPRGKRZSA-N 0 0 536.964 2.319 50 0 KEAARN COc1ccc(CO[C@H]2[C@@H](O)[C@H]3OC(C)(C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](OC)O[C@H]2C)cc1 ZINC000824308119 1066361582 /nfs/dbraw/zinc/36/15/82/1066361582.db2.gz WEWPVMMHYLOQPW-AIOHMTEPSA-N 0 0 540.606 2.114 50 0 KEAARN COc1ccc(CO[C@H]2[C@H](O)[C@@H]3OC(C)(C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](OC)O[C@H]2C)cc1 ZINC000824308120 1066361713 /nfs/dbraw/zinc/36/17/13/1066361713.db2.gz WEWPVMMHYLOQPW-AOXDUFEUSA-N 0 0 540.606 2.114 50 0 KEAARN COc1ccc(CO[C@H]2[C@@H](O)[C@@H]3OC(C)(C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](OC)O[C@H]2C)cc1 ZINC000824308121 1066361565 /nfs/dbraw/zinc/36/15/65/1066361565.db2.gz WEWPVMMHYLOQPW-BVLTVJKVSA-N 0 0 540.606 2.114 50 0 KEAARN COc1ccc(CO[C@H]2[C@H](O)[C@H]3OC(C)(C)OC[C@H]3O[C@H]2O[C@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](OC)O[C@H]2C)cc1 ZINC000824308122 1066361302 /nfs/dbraw/zinc/36/13/02/1066361302.db2.gz WEWPVMMHYLOQPW-ZHEWJMJSSA-N 0 0 540.606 2.114 50 0 KEAARN Cn1c(CCNC(=O)C2CCN(C(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)CC2)nc2ccccc21 ZINC000885916560 1066386482 /nfs/dbraw/zinc/38/64/82/1066386482.db2.gz NJIBCNQMWIGZRP-UNWVZKJWSA-N 0 0 506.651 2.397 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089653 1066230169 /nfs/dbraw/zinc/23/01/69/1066230169.db2.gz VHCMTXGKHLVNTL-FDDCHVKYSA-N 0 0 643.697 2.483 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888089654 1066230096 /nfs/dbraw/zinc/23/00/96/1066230096.db2.gz VHCMTXGKHLVNTL-JPYJTQIMSA-N 0 0 643.697 2.483 50 0 KEAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)NCCn3c4ccccc4[nH]c(=O)c3=O)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089655 1066230323 /nfs/dbraw/zinc/23/03/23/1066230323.db2.gz VHCMTXGKHLVNTL-WZONZLPQSA-N 0 0 643.697 2.483 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4ncccc4c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952855795 1066363243 /nfs/dbraw/zinc/36/32/43/1066363243.db2.gz AJVSWOFMETZJHJ-XLJSZMODSA-N 0 0 715.877 2.079 50 0 KEAARN CN1CC(=O)N[C@H]2CN(C(=O)CCn3cncn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952855800 1066363362 /nfs/dbraw/zinc/36/33/62/1066363362.db2.gz AOWJBVBLNRGUHD-IZZNHLLZSA-N 0 0 546.628 2.168 50 0 KEAARN O=C(CC1CCCC1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952855818 1066363711 /nfs/dbraw/zinc/36/37/11/1066363711.db2.gz DQBGKTPFXFALDV-DEOSSOPVSA-N 0 0 506.651 2.257 50 0 KEAARN CN1CC(=O)N[C@H]2CN(C(=O)Cn3ccnc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952855825 1066363291 /nfs/dbraw/zinc/36/32/91/1066363291.db2.gz FABNNVMDXBIFPP-IZZNHLLZSA-N 0 0 531.613 2.383 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1[nH]cnc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952855861 1066363467 /nfs/dbraw/zinc/36/34/67/1066363467.db2.gz IYQHAABPTOWEED-SANMLTNESA-N 0 0 586.697 2.303 50 0 KEAARN CCc1noc(C)c1C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(ccc2OC)CCC(=O)NCCC1 ZINC000952855871 1066363627 /nfs/dbraw/zinc/36/36/27/1066363627.db2.gz KCCAAIVNGXIAQY-FQEVSTJZSA-N 0 0 585.702 2.271 50 0 KEAARN CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C(=O)c2ccccc2)CC[C@H]2CC=C(CCn3cc(nn3)CNC1=O)C2(C)C ZINC000952855874 1066363275 /nfs/dbraw/zinc/36/32/75/1066363275.db2.gz KKBZCYMJWORXSF-YFYBJWEFSA-N 0 0 653.850 2.295 50 0 KEAARN O=C(CN1CCC(O)CC1)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952855882 1066363581 /nfs/dbraw/zinc/36/35/81/1066363581.db2.gz LKZGSDJCIIUDSO-JDXGNMNLSA-N 0 0 542.640 2.276 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2ccc(OCC(N)=O)c(Cl)c2)CCNC1=O ZINC000952855885 1066363516 /nfs/dbraw/zinc/36/35/16/1066363516.db2.gz LRPPAWGJCMZFMK-RUZDIDTESA-N 0 0 630.121 2.333 50 0 KEAARN O=C(CN1CCCCC1=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952855893 1066363333 /nfs/dbraw/zinc/36/33/33/1066363333.db2.gz NIYUPKOIOFUOSK-VMPREFPWSA-N 0 0 606.720 2.251 50 0 KEAARN O=C1N[C@H]2CN(C(=O)c3scc4c3OCCO4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952855898 1066363655 /nfs/dbraw/zinc/36/36/55/1066363655.db2.gz ODFLQGMHWNUBAL-HKUYNNGSSA-N 0 0 546.005 2.387 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCN3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952855905 1066363894 /nfs/dbraw/zinc/36/38/94/1066363894.db2.gz PLHJECSFUUWOBP-NSOVKSMOSA-N 0 0 564.683 2.208 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCn1cnc3ccccc31)CCCNC2=O ZINC000952855909 1066364066 /nfs/dbraw/zinc/36/40/66/1066364066.db2.gz QCZUGRIBZPDTLS-QFIPXVFZSA-N 0 0 592.697 2.219 50 0 KEAARN O=C1Cc2ccc(cc2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C2CCCCC2)N1 ZINC000952855920 1066363954 /nfs/dbraw/zinc/36/39/54/1066363954.db2.gz RWYGGFICOARHAW-IAPPQJPRSA-N 0 0 544.656 2.322 50 0 KEAARN CC(C)Cc1nc(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)no1 ZINC000952855964 1066364229 /nfs/dbraw/zinc/36/42/29/1066364229.db2.gz WUQIPITYQLFCHF-HSZRJFAPSA-N 0 0 570.670 2.397 50 0 KEAARN CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O ZINC000952855968 1066363983 /nfs/dbraw/zinc/36/39/83/1066363983.db2.gz XHZUVNAFLGDBGP-AIXNUKSASA-N 0 0 645.679 2.078 50 0 KEAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)c12 ZINC000952855982 1066363841 /nfs/dbraw/zinc/36/38/41/1066363841.db2.gz YRQHXCTZJPHXMW-RUZDIDTESA-N 0 0 619.702 2.354 50 0 KEAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CC=C(c3ccc(F)cc3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952855985 1066363876 /nfs/dbraw/zinc/36/38/76/1066363876.db2.gz ZAKYCYPQLZQDTG-MJEYWMRYSA-N 0 0 647.748 2.198 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3ccnn3C)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952855986 1066363971 /nfs/dbraw/zinc/36/39/71/1066363971.db2.gz ZJYGKONZNRUPMF-AHWVRZQESA-N 0 0 531.613 2.451 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(Cc1nc(-c3ccccc3)no1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952855995 1066364011 /nfs/dbraw/zinc/36/40/11/1066364011.db2.gz ZWIZJQYNCGYAIE-LXJPPPMVSA-N 0 0 735.883 2.372 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](C)NC1=O ZINC000952856002 1066363997 /nfs/dbraw/zinc/36/39/97/1066363997.db2.gz AKKJWWFXLJSLGC-YPLOMLCWSA-N 0 0 649.152 2.498 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCCCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856055 1066364213 /nfs/dbraw/zinc/36/42/13/1066364213.db2.gz FSQFXKSOZZASEW-AHWVRZQESA-N 0 0 548.640 2.488 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CSc1nc(C)cs1)CCCNC2=O ZINC000952856058 1066364243 /nfs/dbraw/zinc/36/42/43/1066364243.db2.gz FVYORCKEKUIKFW-IBGZPJMESA-N 0 0 591.756 2.337 50 0 KEAARN Cc1ccc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)cc1C ZINC000952856059 1066363920 /nfs/dbraw/zinc/36/39/20/1066363920.db2.gz FWQQCTOVMCFLEG-KOTXVPMFSA-N 0 0 664.807 2.133 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCN(C)S(C)(=O)=O)C[C@@H]1NC(=O)CC2 ZINC000952856065 1066363860 /nfs/dbraw/zinc/36/38/60/1066363860.db2.gz GHXPXWKZRVGWEU-XZOQPEGZSA-N 0 0 545.658 2.318 50 0 KEAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3ccnc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952856067 1066364174 /nfs/dbraw/zinc/36/41/74/1066364174.db2.gz GOWZHZSDQZJYFY-IZZNHLLZSA-N 0 0 547.612 2.462 50 0 KEAARN Cc1ccc(C)c(-c2n[nH]cc2CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1 ZINC000952856077 1066364539 /nfs/dbraw/zinc/36/45/39/1066364539.db2.gz HXZNOGSFTRYYMM-URLMMPGGSA-N 0 0 609.735 2.136 50 0 KEAARN CC(C)[C@@H]1NC(=O)c2cccc(c2)CNC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](C)NC1=O ZINC000952856098 1066364832 /nfs/dbraw/zinc/36/48/32/1066364832.db2.gz JKMYGAIIOHNTKG-CJAUYULYSA-N 0 0 596.088 2.220 50 0 KEAARN O=C(c1cn[nH]c1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952856104 1066364503 /nfs/dbraw/zinc/36/45/03/1066364503.db2.gz JVBFLGNVABCVRN-SVBPBHIXSA-N 0 0 561.639 2.275 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)n(C)c3=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856117 1066364416 /nfs/dbraw/zinc/36/44/16/1066364416.db2.gz LAYIBWRNWWSYMJ-VMPREFPWSA-N 0 0 633.702 2.354 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3CCOCC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856119 1066364649 /nfs/dbraw/zinc/36/46/49/1066364649.db2.gz LMZIZOXYOIWCCC-NSOVKSMOSA-N 0 0 596.681 2.459 50 0 KEAARN COc1cc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C2)cc2c1OCO2 ZINC000952856123 1066364725 /nfs/dbraw/zinc/36/47/25/1066364725.db2.gz LULKNRKXLGZUNW-HDXYBINASA-N 0 0 682.778 2.139 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3nc4ccccc4n3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856136 1066364462 /nfs/dbraw/zinc/36/44/62/1066364462.db2.gz MTCAQOWNWGBMLZ-KYJUHHDHSA-N 0 0 643.701 2.478 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856148 1066364527 /nfs/dbraw/zinc/36/45/27/1066364527.db2.gz NUZNYOACWVCMKO-URLMMPGGSA-N 0 0 638.762 2.233 50 0 KEAARN O=C(CCc1[nH]nc2c1CCCC2)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952856160 1066364432 /nfs/dbraw/zinc/36/44/32/1066364432.db2.gz OVMGVBLEHSMAAZ-ZCYQVOJMSA-N 0 0 554.051 2.475 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CSC)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856177 1066364617 /nfs/dbraw/zinc/36/46/17/1066364617.db2.gz QTYTUIBLTVTBHN-DQEYMECFSA-N 0 0 572.684 2.396 50 0 KEAARN O=C([C@H](O)c1ccc(F)cc1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952856181 1066364816 /nfs/dbraw/zinc/36/48/16/1066364816.db2.gz QWZPDTKKJAGFFB-RUZDIDTESA-N 0 0 521.593 2.444 50 0 KEAARN O=C([C@@H](O)c1ccc(F)cc1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952856182 1066364681 /nfs/dbraw/zinc/36/46/81/1066364681.db2.gz QWZPDTKKJAGFFB-VWLOTQADSA-N 0 0 521.593 2.444 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cn4cccc(C)c4n3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952856199 1066364633 /nfs/dbraw/zinc/36/46/33/1066364633.db2.gz AGWVDMYJEGUAEF-PSWJWLENSA-N 0 0 751.885 2.493 50 0 KEAARN CN1CCNC(=O)C[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952856201 1066364736 /nfs/dbraw/zinc/36/47/36/1066364736.db2.gz SCSFMSVVPAJKTG-HTAPYJJXSA-N 0 0 544.443 2.060 50 0 KEAARN Cc1nn(C)c(C)c1CCC(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 ZINC000952856229 1066365026 /nfs/dbraw/zinc/36/50/26/1066365026.db2.gz SVBIOKPSUKJCPD-AREMUKBSSA-N 0 0 596.708 2.125 50 0 KEAARN O=C(CSCc1ccccc1Cl)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952856235 1066365145 /nfs/dbraw/zinc/36/51/45/1066365145.db2.gz BQVJTXRAXVOMFG-IZZNHLLZSA-N 0 0 624.167 2.042 50 0 KEAARN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952856242 1066365129 /nfs/dbraw/zinc/36/51/29/1066365129.db2.gz CAYJJRMIQYTMTH-UPVQGACJSA-N 0 0 527.585 2.379 50 0 KEAARN COc1ccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)cc1N1CCOCC1 ZINC000952856251 1066365178 /nfs/dbraw/zinc/36/51/78/1066365178.db2.gz CJADEXXYXPYDEX-HHHXNRCGSA-N 0 0 651.740 2.301 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1[nH]nc(C)c1Cl)CCCNC(=O)CC2 ZINC000952856273 1066365310 /nfs/dbraw/zinc/36/53/10/1066365310.db2.gz VSYZPSZUNMMAOO-FQEVSTJZSA-N 0 0 577.126 2.457 50 0 KEAARN COCCN(C)CC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952856302 1066365064 /nfs/dbraw/zinc/36/50/64/1066365064.db2.gz XCYZNAZEUWUQKD-LMSSTIIKSA-N 0 0 530.629 2.397 50 0 KEAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCN(CC(N)=O)CC2)NC1=O ZINC000952856318 1066364982 /nfs/dbraw/zinc/36/49/82/1066364982.db2.gz XYJLOBGZWPPDBD-QAXCHELISA-N 0 0 668.795 2.021 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cnc(C(C)C)nc1)CCCNC2=O ZINC000952856321 1066365192 /nfs/dbraw/zinc/36/51/92/1066365192.db2.gz FAOIWJLVBLLYNR-FQEVSTJZSA-N 0 0 568.675 2.007 50 0 KEAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)NCCNS(C)(=O)=O)NC1=O ZINC000952856332 1066365113 /nfs/dbraw/zinc/36/51/13/1066365113.db2.gz FKCNRKBBBARKBO-OIFRRMEBSA-N 0 0 663.797 2.057 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](C)NC1=O ZINC000952856350 1066364964 /nfs/dbraw/zinc/36/49/64/1066364964.db2.gz ZLOVAFXDGXHKOD-OXTYCOSGSA-N 0 0 610.115 2.017 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cc(C(C)C)on2)CCNC1=O ZINC000952856359 1066365007 /nfs/dbraw/zinc/36/50/07/1066365007.db2.gz GDWZRPLUVZCKFS-HWOONTJSSA-N 0 0 701.225 2.337 50 0 KEAARN Cc1cccc2cc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cn4nn3)c(C)nc12 ZINC000952856360 1066365396 /nfs/dbraw/zinc/36/53/96/1066365396.db2.gz GEHIKWMTZOBSCV-JKWLULBVSA-N 0 0 622.730 2.397 50 0 KEAARN O=C(CCc1cccc(F)c1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856361 1066365042 /nfs/dbraw/zinc/36/50/42/1066365042.db2.gz GHTRRGRPAOLRIY-SANMLTNESA-N 0 0 546.647 2.449 50 0 KEAARN COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)c1ccc3sc(C)nc3c1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952856363 1066365252 /nfs/dbraw/zinc/36/52/52/1066365252.db2.gz GJRJOEFDJMCWPT-NGNDDVQRSA-N 0 0 754.870 2.305 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)COc3ccc(Cl)cc3C)C[C@@H]1NC2=O ZINC000952856380 1066365163 /nfs/dbraw/zinc/36/51/63/1066365163.db2.gz HOHCBUDCXBFZKN-RDPSFJRHSA-N 0 0 541.992 2.246 50 0 KEAARN O=C(c1ccncc1Cl)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856432 1066364988 /nfs/dbraw/zinc/36/49/88/1066364988.db2.gz FMFNVGQZGAWHNU-QHCPKHFHSA-N 0 0 536.036 2.039 50 0 KEAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3nncn3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952856454 1066365378 /nfs/dbraw/zinc/36/53/78/1066365378.db2.gz GJHLUAQXZZUTNH-LOSJGSFVSA-N 0 0 534.617 2.368 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cn1nc(C)c(C(C)=O)c1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856462 1066365238 /nfs/dbraw/zinc/36/52/38/1066365238.db2.gz IYACRBZFKZRUFP-LJAQVGFWSA-N 0 0 670.771 2.314 50 0 KEAARN CNc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)ccn1 ZINC000952856472 1066365798 /nfs/dbraw/zinc/36/57/98/1066365798.db2.gz JBMYVYPJCNZQOU-MHZLTWQESA-N 0 0 626.718 2.348 50 0 KEAARN Cc1n[nH]c(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C2)c1Cl ZINC000952856486 1066365904 /nfs/dbraw/zinc/36/59/04/1066365904.db2.gz JOYVFNIMJGFRCA-PUUVEUEGSA-N 0 0 647.180 2.087 50 0 KEAARN C[C@H](NC(=O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1)c1ccccc1 ZINC000952856508 1066365814 /nfs/dbraw/zinc/36/58/14/1066365814.db2.gz ICYXQXLDIHZDTO-QUQGUVOOSA-N 0 0 639.753 2.207 50 0 KEAARN COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952856510 1066365647 /nfs/dbraw/zinc/36/56/47/1066365647.db2.gz KIMSNCCQTPDCKX-DNQXCXABSA-N 0 0 548.644 2.258 50 0 KEAARN O=C([O-])c1cccc(C[NH+]2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 ZINC000952856522 1066365616 /nfs/dbraw/zinc/36/56/16/1066365616.db2.gz JBMGQIMVXKVAQB-VWLOTQADSA-N 0 0 530.629 2.049 50 0 KEAARN Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952856523 1066365839 /nfs/dbraw/zinc/36/58/39/1066365839.db2.gz JFZTZPVANZKFNV-DNQXCXABSA-N 0 0 518.618 2.167 50 0 KEAARN O=C(CN1CCC(O)CC1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952856534 1066365929 /nfs/dbraw/zinc/36/59/29/1066365929.db2.gz LKZGSDJCIIUDSO-MFMCTBQISA-N 0 0 542.640 2.276 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(CCCOc3ccc(F)cc3)C[C@@H]1NC2=O ZINC000952856535 1066365660 /nfs/dbraw/zinc/36/56/60/1066365660.db2.gz LOYORHPIZJVQEQ-DHLKQENFSA-N 0 0 511.554 2.287 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2ccc(Cl)cn2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952856542 1066365702 /nfs/dbraw/zinc/36/57/02/1066365702.db2.gz MCBAPBGARWBYBF-IZKCBNJNSA-N 0 0 658.159 2.090 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CSc1nnc(C)o1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856547 1066365778 /nfs/dbraw/zinc/36/57/78/1066365778.db2.gz MGJDUXBEOJDKRC-VWLOTQADSA-N 0 0 648.746 2.082 50 0 KEAARN O=C(CSCC1CC1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952856558 1066365598 /nfs/dbraw/zinc/36/55/98/1066365598.db2.gz NHXRPFBOQKKXDG-FPOVZHCZSA-N 0 0 506.028 2.383 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cn[nH]c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856564 1066365764 /nfs/dbraw/zinc/36/57/64/1066365764.db2.gz NVZQWUATYSJZJQ-UIOOFZCWSA-N 0 0 578.626 2.070 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3nncn3C)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952856575 1066365826 /nfs/dbraw/zinc/36/58/26/1066365826.db2.gz OTVUTQBXZWRBJJ-BJKOFHAPSA-N 0 0 546.628 2.237 50 0 KEAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2nc3ccccc3s2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952856629 1066365887 /nfs/dbraw/zinc/36/58/87/1066365887.db2.gz AEJGYBXDOPFVHN-IWWDMWQNSA-N 0 0 648.786 2.011 50 0 KEAARN O=C(N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000952856644 1066365788 /nfs/dbraw/zinc/36/57/88/1066365788.db2.gz BADNJASHVHPGJA-UNMCSNQZSA-N 0 0 522.993 2.367 50 0 KEAARN C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2cccs2)NC1=O ZINC000952856652 1066366079 /nfs/dbraw/zinc/36/60/79/1066366079.db2.gz KHGGXXGTJFAZOW-SUFMYBPMSA-N 0 0 659.809 2.140 50 0 KEAARN CN1CC(=O)N[C@H]2CN(C(=O)C[NH+](C)C)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952856676 1066366455 /nfs/dbraw/zinc/36/64/55/1066366455.db2.gz PLHWGBHJBMZOHY-LOSJGSFVSA-N 0 0 508.619 2.047 50 0 KEAARN O=C1N[C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952856681 1066366389 /nfs/dbraw/zinc/36/63/89/1066366389.db2.gz PMEFHHJHEPJNEE-UGKGYDQZSA-N 0 0 526.981 2.421 50 0 KEAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCOC3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952856715 1066366373 /nfs/dbraw/zinc/36/63/73/1066366373.db2.gz FTHSAEXEHIDZPA-IGKIAQTJSA-N 0 0 592.649 2.089 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCNS(C)(=O)=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952856723 1066366327 /nfs/dbraw/zinc/36/63/27/1066366327.db2.gz ALBRUTIQZWKRPF-SVBPBHIXSA-N 0 0 616.737 2.283 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)CC2CC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952856730 1066366318 /nfs/dbraw/zinc/36/63/18/1066366318.db2.gz FZBCYYLJVQMDFX-BZKUTMRRSA-N 0 0 643.789 2.069 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCN1CCCCCC1=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856812 1066366230 /nfs/dbraw/zinc/36/62/30/1066366230.db2.gz GAAVKRCJPRSNLF-LJAQVGFWSA-N 0 0 659.788 2.391 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cc[nH]n3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856827 1066366176 /nfs/dbraw/zinc/36/61/76/1066366176.db2.gz GRFGXWCOVAHLGR-SVBPBHIXSA-N 0 0 564.643 2.430 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3cn(C)c4ccccc34)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952856831 1066366404 /nfs/dbraw/zinc/36/64/04/1066366404.db2.gz BYWBVVXELRBNSF-UQBPGWFLSA-N 0 0 571.638 2.263 50 0 KEAARN COCCOCC(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952856835 1066366358 /nfs/dbraw/zinc/36/63/58/1066366358.db2.gz MZKLJGOYTJSVKN-UIOOFZCWSA-N 0 0 509.603 2.332 50 0 KEAARN CCOc1ccc(CCCC(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)cc1C ZINC000952856848 1066366343 /nfs/dbraw/zinc/36/63/43/1066366343.db2.gz NJKCBTBGLOALCF-DHLKQENFSA-N 0 0 534.617 2.322 50 0 KEAARN Cc1n[nH]c(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1Cl ZINC000952856873 1066366743 /nfs/dbraw/zinc/36/67/43/1066366743.db2.gz ILVJRACKVZDGHI-NRFANRHFSA-N 0 0 525.057 2.035 50 0 KEAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(O)cc(c2)C(=O)NCCC1 ZINC000952856883 1066366880 /nfs/dbraw/zinc/36/68/80/1066366880.db2.gz SVSWUPIOCZXRMO-NRFANRHFSA-N 0 0 590.681 2.489 50 0 KEAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c4ccc(C)c(c4)OCCCn4cc(nn4)CC3)c2)n1 ZINC000952856892 1066366951 /nfs/dbraw/zinc/36/69/51/1066366951.db2.gz JAMZQNKKEOUWHV-NJHZRGNWSA-N 0 0 642.761 2.211 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2n[nH]c3c2CCCC3)CCNC1=O ZINC000952856893 1066366727 /nfs/dbraw/zinc/36/67/27/1066366727.db2.gz CWZNUGAWFDRTCI-XMMPIXPASA-N 0 0 580.665 2.057 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C[C@@H]1NC(=O)CC2 ZINC000952856898 1066366971 /nfs/dbraw/zinc/36/69/71/1066366971.db2.gz OAKCUUJMVCYQFD-FCHUYYIVSA-N 0 0 516.616 2.471 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2coc(C(C)C)n2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952856902 1066367079 /nfs/dbraw/zinc/36/70/79/1066367079.db2.gz JFGRMDISDILLPK-HAFIXEQPSA-N 0 0 656.825 2.034 50 0 KEAARN CCOC(=O)N1CCC(N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)CC1 ZINC000952856918 1066366984 /nfs/dbraw/zinc/36/69/84/1066366984.db2.gz DGULONOJMBUSKH-GMAHTHKFSA-N 0 0 533.029 2.334 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(S(=O)(=O)c1ccc3oc(=O)[nH]c3c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952856922 1066366810 /nfs/dbraw/zinc/36/68/10/1066366810.db2.gz OJQCJKIFPXDNRI-MHZLTWQESA-N 0 0 689.751 2.307 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952856925 1066366895 /nfs/dbraw/zinc/36/68/95/1066366895.db2.gz DNOPHWUSYKKIEK-UIOOFZCWSA-N 0 0 531.613 2.383 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952856959 1066367038 /nfs/dbraw/zinc/36/70/38/1066367038.db2.gz OYDGPUWAJUBONX-DQEYMECFSA-N 0 0 526.590 2.053 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1ccc(F)c(F)c1)CCCNC2=O ZINC000952856980 1066366669 /nfs/dbraw/zinc/36/66/69/1066366669.db2.gz UVDTVYVKOSFFKG-IBGZPJMESA-N 0 0 574.625 2.300 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952856985 1066367025 /nfs/dbraw/zinc/36/70/25/1066367025.db2.gz VAVFMQBRCBAZNM-NSOVKSMOSA-N 0 0 622.719 2.187 50 0 KEAARN CN1CC(=O)N[C@H]2CN(C(=O)Cn3cccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952856987 1066366680 /nfs/dbraw/zinc/36/66/80/1066366680.db2.gz KXZRMKMRSOFWIO-IZZNHLLZSA-N 0 0 531.613 2.383 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3ccnc3)o2)CCNC1=O ZINC000952856997 1066366922 /nfs/dbraw/zinc/36/69/22/1066366922.db2.gz VCTUMBJEGZREAA-RUZDIDTESA-N 0 0 606.659 2.293 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCC[N@@H+](Cc1cccnc1)CCCNC(=O)CC2 ZINC000952857021 1066366826 /nfs/dbraw/zinc/36/68/26/1066366826.db2.gz GQAPXBFIKVVJIX-QFIPXVFZSA-N 0 0 539.677 2.167 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccnc4ccccc43)C[C@@H]1NC2=O ZINC000952857026 1066366869 /nfs/dbraw/zinc/36/68/69/1066366869.db2.gz GTDCVPQHRFEZLF-DHLKQENFSA-N 0 0 514.542 2.067 50 0 KEAARN C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2ccccc2Cl)NC1=O ZINC000952857029 1066367444 /nfs/dbraw/zinc/36/74/44/1066367444.db2.gz GUMVBLZHTIYTEE-UISMFSQSSA-N 0 0 674.198 2.342 50 0 KEAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952857039 1066367300 /nfs/dbraw/zinc/36/73/00/1066367300.db2.gz GZKRNVKKTQJZHV-LSYYVWMOSA-N 0 0 601.660 2.044 50 0 KEAARN Cc1cc(C(=O)N2C[C@H]3c4cccc(c4)OCC(=O)N[C@@H](CO)C(=O)N(CCC(C)C)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H]3C2)c(C)o1 ZINC000952857044 1066367288 /nfs/dbraw/zinc/36/72/88/1066367288.db2.gz WDPFMQMTFGQSAS-SSNHPIBPSA-N 0 0 701.821 2.093 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1sc(C)nc1C)CCCNC(=O)CC2 ZINC000952857061 1066367428 /nfs/dbraw/zinc/36/74/28/1066367428.db2.gz HQDHGHGYQNQFGO-FQEVSTJZSA-N 0 0 587.743 2.486 50 0 KEAARN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952857078 1066367316 /nfs/dbraw/zinc/36/73/16/1066367316.db2.gz HYVYXTLBVDFGNZ-UPVQGACJSA-N 0 0 529.601 2.241 50 0 KEAARN Cc1c(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)sc2ncn(C)c(=O)c12 ZINC000952857079 1066367669 /nfs/dbraw/zinc/36/76/69/1066367669.db2.gz HZCYUUOOSNKYRO-ICSRJNTNSA-N 0 0 584.058 2.171 50 0 KEAARN CCn1cc(Cl)c(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)n1 ZINC000952857097 1066367686 /nfs/dbraw/zinc/36/76/86/1066367686.db2.gz ZDEWXWDOKQLLCO-JOCHJYFZSA-N 0 0 589.072 2.325 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(Cl)cn1C)CCCNC2=O ZINC000952857122 1066367605 /nfs/dbraw/zinc/36/76/05/1066367605.db2.gz JXMDTDUSVVSSFB-SFHVURJKSA-N 0 0 562.067 2.085 50 0 KEAARN Cc1ccc2c(c1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCc1cn(nn1)CCO2 ZINC000952857158 1066367554 /nfs/dbraw/zinc/36/75/54/1066367554.db2.gz PKBQQCDZGOIFBU-ZOSUSCCZSA-N 0 0 581.718 2.010 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2ccncc2)CCNC1=O ZINC000952857191 1066367332 /nfs/dbraw/zinc/36/73/32/1066367332.db2.gz QRVZSCAXDYMFNO-XMMPIXPASA-N 0 0 523.613 2.210 50 0 KEAARN Cc1ccc(O)c(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 ZINC000952857228 1066367476 /nfs/dbraw/zinc/36/74/76/1066367476.db2.gz JSKNDLXMBHPMBX-DEOSSOPVSA-N 0 0 530.629 2.005 50 0 KEAARN CC(C)Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)no1 ZINC000952857247 1066367258 /nfs/dbraw/zinc/36/72/58/1066367258.db2.gz SHGBAKHMDMIJGS-DEOSSOPVSA-N 0 0 547.660 2.177 50 0 KEAARN Cc1nc(C(C)C)sc1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1 ZINC000952857278 1066367919 /nfs/dbraw/zinc/36/79/19/1066367919.db2.gz OISQSWJAQVSWBO-XWGVYQGASA-N 0 0 612.797 2.252 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(Cl)ccc3F)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952857284 1066368269 /nfs/dbraw/zinc/36/82/69/1066368269.db2.gz VJJMMZHEIJYYTK-HAJQVXNWSA-N 0 0 717.264 2.323 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3CCN(C)C3=O)C[C@@H]1NC(=O)CC2 ZINC000952857287 1066368146 /nfs/dbraw/zinc/36/81/46/1066368146.db2.gz OLSSGCBYUKWMHY-XZOQPEGZSA-N 0 0 522.602 2.403 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cncc(=O)[nH]3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952857315 1066367852 /nfs/dbraw/zinc/36/78/52/1066367852.db2.gz WAMFZRKJVFTNSF-RRPNLBNLSA-N 0 0 633.702 2.298 50 0 KEAARN Cc1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1N1CCNC1=O ZINC000952857332 1066368178 /nfs/dbraw/zinc/36/81/78/1066368178.db2.gz SASHHGDEIWPDBY-DHLKQENFSA-N 0 0 580.045 2.392 50 0 KEAARN Cc1cc(=O)c2ccccc2n1CC(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 ZINC000952857346 1066368284 /nfs/dbraw/zinc/36/82/84/1066368284.db2.gz XCDDMWWOUFJVCJ-HHHXNRCGSA-N 0 0 631.709 2.465 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(S(=O)(=O)c1c(C)noc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857349 1066367886 /nfs/dbraw/zinc/36/78/86/1066367886.db2.gz PHVKVQKRGVGTND-SANMLTNESA-N 0 0 651.746 2.065 50 0 KEAARN CC(=O)N1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CCNC(=O)C[C@H]1c1ccccc1 ZINC000952857356 1066368063 /nfs/dbraw/zinc/36/80/63/1066368063.db2.gz FKDATRGOJYWLBA-NRFANRHFSA-N 0 0 532.688 2.475 50 0 KEAARN CC(=O)N1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CCNC(=O)C[C@@H]1c1ccccc1 ZINC000952857361 1066367965 /nfs/dbraw/zinc/36/79/65/1066367965.db2.gz FKDATRGOJYWLBA-OAQYLSRUSA-N 0 0 532.688 2.475 50 0 KEAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CCN3CCOCC3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952857379 1066368204 /nfs/dbraw/zinc/36/82/04/1066368204.db2.gz XJVQLIPMFWTWKM-MFMCTBQISA-N 0 0 532.641 2.208 50 0 KEAARN O=C(Cc1cc(F)ccc1F)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857380 1066368124 /nfs/dbraw/zinc/36/81/24/1066368124.db2.gz FOFYLTJDDJDIQQ-VWLOTQADSA-N 0 0 550.610 2.198 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(C)nc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952857382 1066367938 /nfs/dbraw/zinc/36/79/38/1066367938.db2.gz XKOJTVNVLMHEHC-PSWJWLENSA-N 0 0 712.848 2.240 50 0 KEAARN O=C(Cc1cccc(F)c1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857401 1066368164 /nfs/dbraw/zinc/36/81/64/1066368164.db2.gz MUXAGXGCUROEQC-VWLOTQADSA-N 0 0 532.620 2.059 50 0 KEAARN CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C(=O)CCc2cccnc2)CC[C@H]2CC=C(CCn3cc(nn3)CNC1=O)C2(C)C ZINC000952857403 1066367903 /nfs/dbraw/zinc/36/79/03/1066367903.db2.gz XXCPFQBDLFBLNG-WPFIWAGLSA-N 0 0 682.892 2.009 50 0 KEAARN Cc1cc(C)n(Cc2cccc(C(=O)N3CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc4cccc(c4)OCC(=O)NCCC3)c2)n1 ZINC000952857458 1066367950 /nfs/dbraw/zinc/36/79/50/1066367950.db2.gz UMDIEMBPWZMWBB-XMUMXOCRSA-N 0 0 745.922 2.425 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(-c3c(C)nn(C)c3C)nn1C)CCCNC(=O)CC2 ZINC000952857472 1066368416 /nfs/dbraw/zinc/36/84/16/1066368416.db2.gz ZMOAAKFFOKWOLD-QHCPKHFHSA-N 0 0 664.808 2.163 50 0 KEAARN COc1cc(N2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc(N)n1 ZINC000952857473 1066368762 /nfs/dbraw/zinc/36/87/62/1066368762.db2.gz IKNBAMMCWDWWRC-REWPJTCUSA-N 0 0 520.590 2.204 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)Cc1cccc(F)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952857475 1066368434 /nfs/dbraw/zinc/36/84/34/1066368434.db2.gz VEETVLPTEHQIRI-JZOXGFSOSA-N 0 0 709.820 2.386 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857476 1066368544 /nfs/dbraw/zinc/36/85/44/1066368544.db2.gz ZNBNSLXUQJPZHG-UIOOFZCWSA-N 0 0 548.640 2.108 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCn3ccnc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857490 1066368590 /nfs/dbraw/zinc/36/85/90/1066368590.db2.gz OONHRENCZRYCPY-NSOVKSMOSA-N 0 0 606.680 2.320 50 0 KEAARN Cc1nc(SCC(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)n[nH]1 ZINC000952857505 1066368462 /nfs/dbraw/zinc/36/84/62/1066368462.db2.gz JDHBGLHOLVCFLY-RPLLCQBOSA-N 0 0 532.626 2.362 50 0 KEAARN Cc1c(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)sc2nc[nH]c(=O)c12 ZINC000952857524 1066368521 /nfs/dbraw/zinc/36/85/21/1066368521.db2.gz JLDBUDHVAKPPHU-OAQYLSRUSA-N 0 0 624.699 2.062 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3CCC(O)CC3)C[C@@H]1NC(=O)CC2 ZINC000952857536 1066368662 /nfs/dbraw/zinc/36/86/62/1066368662.db2.gz PRTGQJVCNMGQPE-LOSJGSFVSA-N 0 0 523.630 2.493 50 0 KEAARN Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952857537 1066368510 /nfs/dbraw/zinc/36/85/10/1066368510.db2.gz JQNXEDFHAPTBNP-UHFFFAOYSA-N 0 0 532.645 2.200 50 0 KEAARN COc1ccc2[nH]c(C(=O)N3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccc(OC)c5OCc5cn(nn5)[C@@H]4C3)cc2c1 ZINC000952857586 1066368572 /nfs/dbraw/zinc/36/85/72/1066368572.db2.gz YNCSOBVOCAJNIV-UQBPGWFLSA-N 0 0 587.637 2.261 50 0 KEAARN COc1ccnc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c1OC ZINC000952857596 1066368445 /nfs/dbraw/zinc/36/84/45/1066368445.db2.gz ZMBNJELECQKRFH-CVDCTZTESA-N 0 0 528.997 2.326 50 0 KEAARN CC(=O)NCCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952857598 1066368532 /nfs/dbraw/zinc/36/85/32/1066368532.db2.gz ZPVZMJRRABITKT-XTEPFMGCSA-N 0 0 514.586 2.345 50 0 KEAARN CCCC[C@@H]1NC(=O)c2ccc(c(OC)c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952857617 1066368788 /nfs/dbraw/zinc/36/87/88/1066368788.db2.gz RSFZRLVQFAQRHH-GOTSBHOMSA-N 0 0 534.617 2.012 50 0 KEAARN CN(C)S(=O)(=O)CCCN1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952857635 1066368617 /nfs/dbraw/zinc/36/86/17/1066368617.db2.gz SUDHKIZTMZFOJQ-SVBPBHIXSA-N 0 0 542.702 2.424 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1coc(CN3CCOCC3)c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857637 1066368558 /nfs/dbraw/zinc/36/85/58/1066368558.db2.gz SWKXSHZMFNVACS-HKBQPEDESA-N 0 0 685.782 2.337 50 0 KEAARN COc1ccc2c(c1)c(C(=O)N1C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCCn4cc(nn4)CO[C@H]3C1)c(C)n2C ZINC000952857641 1066368827 /nfs/dbraw/zinc/36/88/27/1066368827.db2.gz TVQWRAVJGMZZQM-NVQXNPDNSA-N 0 0 560.611 2.328 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4ncsc4c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952857646 1066369264 /nfs/dbraw/zinc/36/92/64/1066369264.db2.gz QKOGWJFDKOVEFD-BTEYVRCWSA-N 0 0 721.906 2.140 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)Cc3c(C)[nH]c4ccc(F)cc43)C[C@@H]1NC2=O ZINC000952857660 1066369231 /nfs/dbraw/zinc/36/92/31/1066369231.db2.gz UEOXZLPSAVBNDM-OZXSUGGESA-N 0 0 548.575 2.377 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccsc2)CCNC1=O ZINC000952857676 1066369001 /nfs/dbraw/zinc/36/90/01/1066369001.db2.gz USXBEQBQQGOZGS-WMBPSLEXSA-N 0 0 674.224 2.287 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cn(-c3ccccc3)nn2)CCNC1=O ZINC000952857683 1066369279 /nfs/dbraw/zinc/36/92/79/1066369279.db2.gz UYKAIDGEPWKVSO-RUZDIDTESA-N 0 0 603.659 2.036 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(Cc2cccc(O)c2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952857699 1066369196 /nfs/dbraw/zinc/36/91/96/1066369196.db2.gz LSENHKWKBVMEAE-ANZMCEIWSA-N 0 0 624.742 2.107 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccc(C(C)=O)s3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952857708 1066369086 /nfs/dbraw/zinc/36/90/86/1066369086.db2.gz MAHLQYIVFODPKX-FXAWDEMLSA-N 0 0 566.640 2.035 50 0 KEAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CN3CCOC3=O)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952857718 1066369040 /nfs/dbraw/zinc/36/90/40/1066369040.db2.gz MIYIFWYCMYEYLF-DQEYMECFSA-N 0 0 566.611 2.066 50 0 KEAARN CC[C@H](C)[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@@H](CC(C)C)NC1=O ZINC000952857719 1066369136 /nfs/dbraw/zinc/36/91/36/1066369136.db2.gz WBIBIPIABQMNFP-WGGBDISSSA-N 0 0 514.627 2.061 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4sc(C)nc4c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952857735 1066369215 /nfs/dbraw/zinc/36/92/15/1066369215.db2.gz WMZMAUVIYZMECI-WZPJYXRUSA-N 0 0 735.933 2.449 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3[nH]c4ccc(F)cc4c3C)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952857738 1066369155 /nfs/dbraw/zinc/36/91/55/1066369155.db2.gz SNZBQDWTEPPPPQ-SFUUDZQWSA-N 0 0 735.883 2.459 50 0 KEAARN Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1 ZINC000952857752 1066369293 /nfs/dbraw/zinc/36/92/93/1066369293.db2.gz SUJFOJGVOFHEBE-VMPREFPWSA-N 0 0 628.734 2.164 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ncc[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857761 1066369073 /nfs/dbraw/zinc/36/90/73/1066369073.db2.gz NKCTYNGXFKPUMV-UIOOFZCWSA-N 0 0 564.643 2.430 50 0 KEAARN O=C(CN1CCOc2ccccc2C1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952857764 1066369118 /nfs/dbraw/zinc/36/91/18/1066369118.db2.gz XJVAYEKQVRCVTA-OZXSUGGESA-N 0 0 567.046 2.135 50 0 KEAARN CCNc1ncc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cn1 ZINC000952857788 1066369820 /nfs/dbraw/zinc/36/98/20/1066369820.db2.gz OSODACUGFXQNAI-NDEPHWFRSA-N 0 0 627.750 2.493 50 0 KEAARN Cn1nc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)ccc1=O ZINC000952857815 1066369718 /nfs/dbraw/zinc/36/97/18/1066369718.db2.gz YFUGEUBADFVUGX-LITSAYRRSA-N 0 0 537.580 2.226 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2csc3c2CCCC3)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952857829 1066369527 /nfs/dbraw/zinc/36/95/27/1066369527.db2.gz PZGJMHQZVYPGSH-GUFCLIDSSA-N 0 0 603.749 2.172 50 0 KEAARN Cc1ccc2c(c1)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCc1cn(nn1)CCO2 ZINC000952857838 1066369866 /nfs/dbraw/zinc/36/98/66/1066369866.db2.gz WCJOPGSVLRIJFW-KPGYKUMBSA-N 0 0 628.734 2.153 50 0 KEAARN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H]1Cc2ccc(cc2)OCC(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000952857842 1066369805 /nfs/dbraw/zinc/36/98/05/1066369805.db2.gz WGCQSIOJBLSOBB-TURLNZPNSA-N 0 0 689.789 2.001 50 0 KEAARN O=C1N[C@H]2CN(CCn3cc(Cl)cn3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952857843 1066369675 /nfs/dbraw/zinc/36/96/75/1066369675.db2.gz YGMCJAGGLNBHEK-FPOVZHCZSA-N 0 0 506.394 2.264 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CCNC1=O ZINC000952857851 1066369794 /nfs/dbraw/zinc/36/97/94/1066369794.db2.gz QWLVSSGNUKIDRZ-HHHXNRCGSA-N 0 0 632.697 2.011 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)Cn3nc(C)c(C)cc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857858 1066369754 /nfs/dbraw/zinc/36/97/54/1066369754.db2.gz WIMZVAZIDSUOHG-NSOVKSMOSA-N 0 0 587.677 2.360 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CNC(=O)C(C)C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857861 1066369619 /nfs/dbraw/zinc/36/96/19/1066369619.db2.gz RCBJBEKTQMWYHZ-UIOOFZCWSA-N 0 0 550.656 2.258 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(S(=O)(=O)N3CCCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952857895 1066369705 /nfs/dbraw/zinc/36/97/05/1066369705.db2.gz RXJBTTPNVSUJJK-UIOOFZCWSA-N 0 0 556.685 2.300 50 0 KEAARN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)CCn3cncn3)C[C@@H]2N1 ZINC000952857902 1066369586 /nfs/dbraw/zinc/36/95/86/1066369586.db2.gz SHIUPXWGCMOZGB-UIOOFZCWSA-N 0 0 516.602 2.351 50 0 KEAARN Cc1cc(OC(C)(C)C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc(C)c1Cl ZINC000952857905 1066369572 /nfs/dbraw/zinc/36/95/72/1066369572.db2.gz XWQATEHMCVAYMN-GBXCKJPGSA-N 0 0 610.115 2.207 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1n[nH]c3c1CCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952857992 1066369690 /nfs/dbraw/zinc/36/96/90/1066369690.db2.gz YXYYFAMUMBNJTL-MHZLTWQESA-N 0 0 626.718 2.123 50 0 KEAARN O=C(c1cc2c(s1)CCCCC2)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952858038 1066369603 /nfs/dbraw/zinc/36/96/03/1066369603.db2.gz ZXVYGPSKRVZTBK-LOSJGSFVSA-N 0 0 603.749 2.099 50 0 KEAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952858190 1066369634 /nfs/dbraw/zinc/36/96/34/1066369634.db2.gz XZOONLRTORGTJL-XBDRXADTSA-N 0 0 645.801 2.224 50 0 KEAARN Cc1nc(CC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cs1 ZINC000952858202 1066369768 /nfs/dbraw/zinc/36/97/68/1066369768.db2.gz YVPHUIVDEPHCKU-FPOVZHCZSA-N 0 0 517.011 2.248 50 0 KEAARN CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2cccc(C(F)(F)F)c2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O ZINC000952858209 1066369520 /nfs/dbraw/zinc/36/95/20/1066369520.db2.gz ZEPLOLNAPAKZKG-RSGKYCQNSA-N 0 0 659.706 2.121 50 0 KEAARN CC(C)C[C@@H]1NC(=O)CN(Cc2c[nH]nc2-c2cccc(F)c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952858215 1066370128 /nfs/dbraw/zinc/37/01/28/1066370128.db2.gz ZYSZHFVXTPEQCD-FAQZDJIUSA-N 0 0 619.742 2.253 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCn1ccnc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952858514 1066370142 /nfs/dbraw/zinc/37/01/42/1066370142.db2.gz AIFFSVNKNCJYON-NDEPHWFRSA-N 0 0 628.734 2.193 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2nnc(C(C)C)o2)CCNC1=O ZINC000952858531 1066370054 /nfs/dbraw/zinc/37/00/54/1066370054.db2.gz ARSGLFOZORQAOQ-JOCHJYFZSA-N 0 0 556.643 2.322 50 0 KEAARN CC(=O)NCCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952858537 1066370185 /nfs/dbraw/zinc/37/01/85/1066370185.db2.gz AXKOIAKEMKHZAW-IZZNHLLZSA-N 0 0 536.629 2.012 50 0 KEAARN O=C(CCN1Cc2ccccc2C1=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952858538 1066370112 /nfs/dbraw/zinc/37/01/12/1066370112.db2.gz AYGDDAPDRMQBRI-ZCYQVOJMSA-N 0 0 565.030 2.286 50 0 KEAARN O=C(Cc1ccc(F)c(F)c1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952858554 1066370235 /nfs/dbraw/zinc/37/02/35/1066370235.db2.gz CJNYPODVCAMMBB-VWLOTQADSA-N 0 0 550.610 2.198 50 0 KEAARN COc1cc(C)c(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)cc1C ZINC000952858571 1066370287 /nfs/dbraw/zinc/37/02/87/1066370287.db2.gz DHNCELUIOWQLSV-KOTXVPMFSA-N 0 0 694.833 2.142 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C(C)(C)OC)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952858581 1066370336 /nfs/dbraw/zinc/37/03/36/1066370336.db2.gz DVSADEDVNICBLH-VWLOTQADSA-N 0 0 592.697 2.023 50 0 KEAARN C[C@H]1NC(=O)[C@H](C2CCCCC2)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC1=O ZINC000952858654 1066370351 /nfs/dbraw/zinc/37/03/51/1066370351.db2.gz FUVNQOQBNRXJGR-VFNWGFHPSA-N 0 0 503.003 2.214 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)Cn2c3ccccc3nc2C2CC2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952858715 1066370211 /nfs/dbraw/zinc/37/02/11/1066370211.db2.gz GSPLKPWRCRWFEF-BTUWKKTJSA-N 0 0 731.895 2.177 50 0 KEAARN O=C1N[C@H]2CN(Cc3nc(C(F)(F)F)no3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952858817 1066370196 /nfs/dbraw/zinc/37/01/96/1066370196.db2.gz GWMVLYKORCDTRX-RDJZCZTQSA-N 0 0 527.891 2.315 50 0 KEAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCn3cnnc3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952858911 1066370084 /nfs/dbraw/zinc/37/00/84/1066370084.db2.gz IGPLCBVQEKQJCI-UIOOFZCWSA-N 0 0 562.627 2.295 50 0 KEAARN CCCC[C@@H]1NC(=O)c2ccc(C)c(c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952858950 1066370099 /nfs/dbraw/zinc/37/00/99/1066370099.db2.gz JLJBICCOFJEKNO-ZEQRLZLVSA-N 0 0 518.618 2.311 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC1=O ZINC000952858969 1066370320 /nfs/dbraw/zinc/37/03/20/1066370320.db2.gz KOLGYZURETTXNR-LIKDZFNVSA-N 0 0 624.142 2.407 50 0 KEAARN Cn1ccnc1-c1ccc(N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)nn1 ZINC000952858982 1066370070 /nfs/dbraw/zinc/37/00/70/1066370070.db2.gz LQPUIEVTGAOWGZ-UHFFFAOYSA-N 0 0 527.633 2.439 50 0 KEAARN CCC[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952858987 1066370306 /nfs/dbraw/zinc/37/03/06/1066370306.db2.gz MCNSZQAMKUHBNF-GOTSBHOMSA-N 0 0 534.617 2.012 50 0 KEAARN CCC[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952858988 1066370644 /nfs/dbraw/zinc/37/06/44/1066370644.db2.gz MCNSZQAMKUHBNF-XZOQPEGZSA-N 0 0 534.617 2.012 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cnc3c(c2)CCCC3)CCNC1=O ZINC000952858990 1066370778 /nfs/dbraw/zinc/37/07/78/1066370778.db2.gz MDXDIBZZOKULJJ-ZWBRNCLNSA-N 0 0 723.275 2.499 50 0 KEAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952858991 1066370658 /nfs/dbraw/zinc/37/06/58/1066370658.db2.gz MFFHJXCJNSLFTE-UNMCSNQZSA-N 0 0 515.574 2.312 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)COCCOC)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952858996 1066370606 /nfs/dbraw/zinc/37/06/06/1066370606.db2.gz MKVWQUCNFXCFAJ-UIOOFZCWSA-N 0 0 539.629 2.149 50 0 KEAARN O=C1N[C@H]2CN(Cc3cnc(C4CCCCC4)nc3)C[C@@H]2OCc2cn(nn2)CCOc2cccnc21 ZINC000952859218 1066370537 /nfs/dbraw/zinc/37/05/37/1066370537.db2.gz OJUTVHPFKYGQNI-GMAHTHKFSA-N 0 0 504.595 2.103 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2cscn2)CCNC1=O ZINC000952859227 1066370567 /nfs/dbraw/zinc/37/05/67/1066370567.db2.gz PNAXJGRJMXPBMY-JOCHJYFZSA-N 0 0 529.642 2.272 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)C2C(C)(C)C2(C)C)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952859247 1066370589 /nfs/dbraw/zinc/37/05/89/1066370589.db2.gz PZQADENUAFQBFL-FAQZDJIUSA-N 0 0 642.801 2.410 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2csc(Cc3ccccc3)n2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952859367 1066370812 /nfs/dbraw/zinc/37/08/12/1066370812.db2.gz TUNPVIITJRLSFS-GEMKGBFXSA-N 0 0 640.770 2.279 50 0 KEAARN COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3cc(C)no3)CCCNC2=O)N(C(=O)c2ccoc2)C1 ZINC000952859368 1066370522 /nfs/dbraw/zinc/37/05/22/1066370522.db2.gz TUNPXYQPRPVQOF-DQEYMECFSA-N 0 0 607.664 2.348 50 0 KEAARN CC(=O)N[C@H]1CCN(C(=O)[C@H]2Cc3ccc(cc3)Oc3cccc(c3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C1 ZINC000952859376 1066370579 /nfs/dbraw/zinc/37/05/79/1066370579.db2.gz UJPMSRAAZMIISO-GVXSCFBNSA-N 0 0 506.603 2.401 50 0 KEAARN C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952859377 1066370685 /nfs/dbraw/zinc/37/06/85/1066370685.db2.gz UKQJKLLSGBHARO-NKNKFDROSA-N 0 0 680.206 2.302 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)c3cn(C)c(=O)[nH]c3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952859413 1066370552 /nfs/dbraw/zinc/37/05/52/1066370552.db2.gz WTDKRMVGBRWJCR-SVBPBHIXSA-N 0 0 619.675 2.457 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cc(C(C)C)n3ncnc3n2)CCNC1=O ZINC000952859516 1066370819 /nfs/dbraw/zinc/37/08/19/1066370819.db2.gz WUUMZYQEQXQGKT-HSZRJFAPSA-N 0 0 620.690 2.017 50 0 KEAARN C[C@@H](O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952859527 1066370735 /nfs/dbraw/zinc/37/07/35/1066370735.db2.gz XSQNPOPRKUCFES-SYFWEJEWSA-N 0 0 727.222 2.446 50 0 KEAARN COCCNC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952859611 1066370762 /nfs/dbraw/zinc/37/07/62/1066370762.db2.gz YWNXSGSNLGKIPJ-SVBPBHIXSA-N 0 0 568.671 2.068 50 0 KEAARN O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(Cc3[nH]c4ccccc4c3Cl)CCN2C(=O)[C@H](Cc2ccccc2)N1 ZINC000952859621 1066370626 /nfs/dbraw/zinc/37/06/26/1066370626.db2.gz ZCWZHVYMHHLNHY-AZGAKELHSA-N 0 0 589.100 2.263 50 0 KEAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)c2csc3c2CCCC3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952859640 1066370674 /nfs/dbraw/zinc/37/06/74/1066370674.db2.gz ZEBMXYQUUBQVHQ-MZBJOSPHSA-N 0 0 609.793 2.304 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)Cn3c4ccccc4nc3C3CC3)C[C@@H]1NC2=O ZINC000952860381 1066371247 /nfs/dbraw/zinc/37/12/47/1066371247.db2.gz OAOCYRTZZBOJHQ-NVQXNPDNSA-N 0 0 557.611 2.132 50 0 KEAARN O=C(CCc1cccnc1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952861461 1066371139 /nfs/dbraw/zinc/37/11/39/1066371139.db2.gz AKHCSWMTKKCVIG-GMAHTHKFSA-N 0 0 510.982 2.268 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)CCNC1=O ZINC000952861484 1066371344 /nfs/dbraw/zinc/37/13/44/1066371344.db2.gz BLESUGDEGROVAF-MUUNZHRXSA-N 0 0 648.740 2.089 50 0 KEAARN CCn1ccnc1CN1C[C@@H]2NC(=O)CN(CCOC)C(=O)c3cncc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952861495 1066371035 /nfs/dbraw/zinc/37/10/35/1066371035.db2.gz BWAHJGVXGGCXDN-DQEYMECFSA-N 0 0 534.617 2.078 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc(C(C)C)n(C)c1=O)CCCNC(=O)CC2 ZINC000952861508 1066371102 /nfs/dbraw/zinc/37/11/02/1066371102.db2.gz CBEQCQKRZZUQNW-QHCPKHFHSA-N 0 0 625.767 2.234 50 0 KEAARN Cc1ccc(F)cc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952861538 1066371227 /nfs/dbraw/zinc/37/12/27/1066371227.db2.gz AHVZUHCAHDQPEJ-VWLOTQADSA-N 0 0 532.620 2.438 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(c3ncccc3C(F)(F)F)C[C@@H]1NC2=O ZINC000952861541 1066371383 /nfs/dbraw/zinc/37/13/83/1066371383.db2.gz CRZYZTWGRDIMRE-PXNSSMCTSA-N 0 0 504.469 2.297 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2cccnc2)CCNC1=O ZINC000952861544 1066371050 /nfs/dbraw/zinc/37/10/50/1066371050.db2.gz AJCJPORYTXJJBE-XMMPIXPASA-N 0 0 523.613 2.210 50 0 KEAARN CC[C@H]1CC[C@H](C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)CC1 ZINC000952861555 1066371367 /nfs/dbraw/zinc/37/13/67/1066371367.db2.gz ARUVIKNWIDLGAG-XVUJJGLOSA-N 0 0 684.838 2.059 50 0 KEAARN COc1cccc(CCC(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)c1 ZINC000952861558 1066371425 /nfs/dbraw/zinc/37/14/25/1066371425.db2.gz ARYKYUOSIQBEKU-SQJMNOBHSA-N 0 0 576.654 2.099 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(Cc3[nH]cc(C)c(=O)c3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861563 1066371297 /nfs/dbraw/zinc/37/12/97/1066371297.db2.gz DFRBHBMZXZEVEO-SVBPBHIXSA-N 0 0 561.639 2.167 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1cccc(-c3ncc[nH]3)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952861573 1066371395 /nfs/dbraw/zinc/37/13/95/1066371395.db2.gz BCQAUNNNVACLEW-ZDROYHPOSA-N 0 0 747.894 2.352 50 0 KEAARN COCC1(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)CC1 ZINC000952861582 1066371120 /nfs/dbraw/zinc/37/11/20/1066371120.db2.gz DQSIRCBKFZJAPF-SANMLTNESA-N 0 0 604.708 2.024 50 0 KEAARN CC(=O)c1cc(CC(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)cs1 ZINC000952861585 1066371088 /nfs/dbraw/zinc/37/10/88/1066371088.db2.gz BGOXIVNPOGCDCR-XVQWFWDQSA-N 0 0 730.288 2.418 50 0 KEAARN COc1cc(Cl)cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)c1 ZINC000952861603 1066371208 /nfs/dbraw/zinc/37/12/08/1066371208.db2.gz BXTKBSYNGNCAER-XZZVZQAVSA-N 0 0 614.143 2.026 50 0 KEAARN O=C1N[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952861607 1066371409 /nfs/dbraw/zinc/37/14/09/1066371409.db2.gz FPXMPYHBAPMTDW-AHWVRZQESA-N 0 0 594.072 2.187 50 0 KEAARN COc1ccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)cc1 ZINC000952861608 1066371835 /nfs/dbraw/zinc/37/18/35/1066371835.db2.gz CEDJFEMBPURCHA-BOGJOCPPSA-N 0 0 698.221 2.234 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(Cc2ccccn2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952861611 1066371845 /nfs/dbraw/zinc/37/18/45/1066371845.db2.gz CJKUTBIOVNJGLZ-UZNNEEJFSA-N 0 0 652.800 2.337 50 0 KEAARN CCc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)on1 ZINC000952861619 1066371790 /nfs/dbraw/zinc/37/17/90/1066371790.db2.gz CNXGAGSKNYZXBA-SANMLTNESA-N 0 0 615.691 2.462 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(Cc2nccs2)CCNC1=O ZINC000952861631 1066371656 /nfs/dbraw/zinc/37/16/56/1066371656.db2.gz GDSFFZLCZFZIFC-SGGJORCASA-N 0 0 661.229 2.042 50 0 KEAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2nc(-c3ccccc3)cs2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952861634 1066371956 /nfs/dbraw/zinc/37/19/56/1066371956.db2.gz GETCHPJJFWQAJX-ANESFGLZSA-N 0 0 674.824 2.225 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1CCOCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952861671 1066371938 /nfs/dbraw/zinc/37/19/38/1066371938.db2.gz DVDOZWNWXJIJDG-MHZLTWQESA-N 0 0 604.708 2.024 50 0 KEAARN CCCC[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952861673 1066371606 /nfs/dbraw/zinc/37/16/06/1066371606.db2.gz DWWFXIFCWZRWMH-BJKOFHAPSA-N 0 0 548.644 2.402 50 0 KEAARN Cn1c(=O)cc(C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)n(C)c1=O ZINC000952861680 1066371806 /nfs/dbraw/zinc/37/18/06/1066371806.db2.gz FATNDHRKWOMCJH-UHFFFAOYSA-N 0 0 502.571 2.014 50 0 KEAARN CC(C)Cc1cc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)n(C)n1 ZINC000952861681 1066371911 /nfs/dbraw/zinc/37/19/11/1066371911.db2.gz FAULPFXUKYBUOR-URXFXBBRSA-N 0 0 542.040 2.486 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cn[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952861804 1066371930 /nfs/dbraw/zinc/37/19/30/1066371930.db2.gz BOXNESIIVDRRRL-IZZNHLLZSA-N 0 0 606.680 2.333 50 0 KEAARN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CCCCN(C)C1=O ZINC000952861805 1066371749 /nfs/dbraw/zinc/37/17/49/1066371749.db2.gz HKLBCVHNVFMQOV-IBGZPJMESA-N 0 0 617.099 2.144 50 0 KEAARN Cc1cc(C)n(-c2ccc(F)cc2CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)n1 ZINC000952861820 1066371668 /nfs/dbraw/zinc/37/16/68/1066371668.db2.gz BWLCELVVSNQYNQ-MFMCTBQISA-N 0 0 627.725 2.070 50 0 KEAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCC2(CNC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)COc3cccc(c3)C2)CC1 ZINC000952861829 1066371821 /nfs/dbraw/zinc/37/18/21/1066371821.db2.gz HZSQQJBNZVGTRA-ZRKWFTTGSA-N 0 0 707.228 2.076 50 0 KEAARN Cn1cc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cn1 ZINC000952861859 1066371710 /nfs/dbraw/zinc/37/17/10/1066371710.db2.gz IFXLPUQRYPTLAK-UIOOFZCWSA-N 0 0 537.642 2.265 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CNC(=O)N(C)C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952861872 1066371735 /nfs/dbraw/zinc/37/17/35/1066371735.db2.gz IKORHTIHOPCOLX-RRPNLBNLSA-N 0 0 639.750 2.172 50 0 KEAARN O=C(CCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O)c1ccccc1 ZINC000952861885 1066371724 /nfs/dbraw/zinc/37/17/24/1066371724.db2.gz FXGAFQTWGNMRIL-SANMLTNESA-N 0 0 556.667 2.340 50 0 KEAARN CC(C)CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@@H](CO)C1=O ZINC000952861901 1066371645 /nfs/dbraw/zinc/37/16/45/1066371645.db2.gz FZQLDDZIBWRGTB-RACJEYCXSA-N 0 0 719.786 2.161 50 0 KEAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CC(N)=O)NC1=O ZINC000952861903 1066372167 /nfs/dbraw/zinc/37/21/67/1066372167.db2.gz IVTPNNDEYYYLAE-NHKHRBQYSA-N 0 0 645.732 2.404 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952861938 1066372123 /nfs/dbraw/zinc/37/21/23/1066372123.db2.gz DIMALKMAHXKENZ-UYEZAFAQSA-N 0 0 700.837 2.173 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCCn1ccnc1C)CCCNC(=O)CC2 ZINC000952861947 1066372465 /nfs/dbraw/zinc/37/24/65/1066372465.db2.gz DOPOWQCDYWZMFD-QHCPKHFHSA-N 0 0 598.745 2.084 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3cc(-c4ccsc4)n[nH]3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952861967 1066372179 /nfs/dbraw/zinc/37/21/79/1066372179.db2.gz HFWMWJZSYICYPK-FDDCHVKYSA-N 0 0 590.666 2.223 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CCN(C(=O)N(C)C)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952861974 1066372156 /nfs/dbraw/zinc/37/21/56/1066372156.db2.gz DUKAJFIOTVRIHG-BDYUSTAISA-N 0 0 577.682 2.479 50 0 KEAARN CCCC[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952861982 1066372434 /nfs/dbraw/zinc/37/24/34/1066372434.db2.gz DWWFXIFCWZRWMH-ZEQRLZLVSA-N 0 0 548.644 2.402 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)CCn2c(=O)[nH]c3ccccc32)CCNC1=O ZINC000952861995 1066372270 /nfs/dbraw/zinc/37/22/70/1066372270.db2.gz KAKLRHFOGNWGGN-PLAZNGEXSA-N 0 0 752.273 2.057 50 0 KEAARN CC(C)C[C@@H]1NC(=O)CN(Cc2nc3c(s2)CCCC3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952862005 1066372354 /nfs/dbraw/zinc/37/23/54/1066372354.db2.gz HUBZEPUOXLEXHU-TUSQITKMSA-N 0 0 596.798 2.059 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)[C@H](OC)c1ccccc1)CCCNC(=O)CC2 ZINC000952862010 1066372133 /nfs/dbraw/zinc/37/21/33/1066372133.db2.gz HXQGCZOREFHLFM-YUDQIZAISA-N 0 0 596.725 2.486 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC1=O ZINC000952862026 1066372199 /nfs/dbraw/zinc/37/21/99/1066372199.db2.gz KLSHSHGOCFTXNL-UKDVSSAZSA-N 0 0 610.115 2.017 50 0 KEAARN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)C2C(C)(C)C2(C)C)CCCCN(C)C1=O ZINC000952862037 1066372339 /nfs/dbraw/zinc/37/23/39/1066372339.db2.gz IPZYTWHSURXUIP-SFHVURJKSA-N 0 0 530.666 2.159 50 0 KEAARN O=C(COC[C@H]1CCCCO1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952862043 1066372448 /nfs/dbraw/zinc/37/24/48/1066372448.db2.gz KQMREWGGZXLVJH-RUZDIDTESA-N 0 0 525.650 2.157 50 0 KEAARN O=C(COC[C@@H]1CCCCO1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952862045 1066372240 /nfs/dbraw/zinc/37/22/40/1066372240.db2.gz KQMREWGGZXLVJH-VWLOTQADSA-N 0 0 525.650 2.157 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CCn3cccn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952862046 1066372147 /nfs/dbraw/zinc/37/21/47/1066372147.db2.gz IQIQUSGICNSRDF-WNJJXGMVSA-N 0 0 605.692 2.408 50 0 KEAARN COCC(=O)N1CCC(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952862047 1066372254 /nfs/dbraw/zinc/37/22/54/1066372254.db2.gz FQOSQPMNCRJDCF-QCENPCRXSA-N 0 0 560.651 2.028 50 0 KEAARN O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(S(=O)(=O)N3CCCC3)C[C@@H]2N1 ZINC000952862076 1066372370 /nfs/dbraw/zinc/37/23/70/1066372370.db2.gz JUQAJFXHIXQAAI-NSOVKSMOSA-N 0 0 600.738 2.052 50 0 KEAARN O=C(Cc1cccc(O)c1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952862082 1066372284 /nfs/dbraw/zinc/37/22/84/1066372284.db2.gz KAMVTPHQIBRXEW-GMAHTHKFSA-N 0 0 511.966 2.188 50 0 KEAARN Cn1cc(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)ccc1=O ZINC000952862085 1066372750 /nfs/dbraw/zinc/37/27/50/1066372750.db2.gz KERPITYPELKRCC-BHBYDHKZSA-N 0 0 526.593 2.498 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952862088 1066372837 /nfs/dbraw/zinc/37/28/37/1066372837.db2.gz KNYPKSUVIIQKRP-BTUWKKTJSA-N 0 0 747.894 2.352 50 0 KEAARN CN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952862129 1066372819 /nfs/dbraw/zinc/37/28/19/1066372819.db2.gz FYOUXZTXYRFJOS-IZZNHLLZSA-N 0 0 548.640 2.108 50 0 KEAARN CCn1cc(C(=O)N2C[C@H]3c4cccc(c4)OCC(=O)N[C@H](CC(C)C)C(=O)N(CCOC)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H]3C2)c(C)n1 ZINC000952862165 1066372885 /nfs/dbraw/zinc/37/28/85/1066372885.db2.gz GOHZJGRKVTURMH-PSWJWLENSA-N 0 0 729.879 2.062 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)C[C@@H]1NC(=O)CC2 ZINC000952862167 1066372686 /nfs/dbraw/zinc/37/26/86/1066372686.db2.gz GOLOLQWSSOWIDG-XZOQPEGZSA-N 0 0 548.596 2.307 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862179 1066372656 /nfs/dbraw/zinc/37/26/56/1066372656.db2.gz MKBIDZYCBIPQJN-UYEZAFAQSA-N 0 0 741.842 2.266 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)Cc2ccc(Cl)c(Cl)c2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952862195 1066372929 /nfs/dbraw/zinc/37/29/29/1066372929.db2.gz GYIPKWKNIZTJOH-GUFCLIDSSA-N 0 0 626.545 2.468 50 0 KEAARN O=C(CCCc1c[nH]c2ccccc12)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952862196 1066372869 /nfs/dbraw/zinc/37/28/69/1066372869.db2.gz MRTNBASYFXZWHK-UPVQGACJSA-N 0 0 515.574 2.096 50 0 KEAARN CCc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)cc(=O)[nH]1 ZINC000952862220 1066372762 /nfs/dbraw/zinc/37/27/62/1066372762.db2.gz HMHSXFYZXKZHRB-HJIQQCSTSA-N 0 0 710.836 2.246 50 0 KEAARN O=C1NCCCn2cc(nn2)CC2(CCN(c3ncccc3Cl)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952862223 1066372914 /nfs/dbraw/zinc/37/29/14/1066372914.db2.gz HMRORGLSBZDAGB-QFIPXVFZSA-N 0 0 508.026 2.403 50 0 KEAARN Cc1cc(C)n(Cc2cccc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cn4nn3)c2)n1 ZINC000952862241 1066372696 /nfs/dbraw/zinc/37/26/96/1066372696.db2.gz HOSYEGRJDVYSHH-JVVMDBNWSA-N 0 0 651.772 2.094 50 0 KEAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCN(C)C3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952862252 1066372730 /nfs/dbraw/zinc/37/27/30/1066372730.db2.gz HQPFANJZEXLDLO-LSYYVWMOSA-N 0 0 605.692 2.004 50 0 KEAARN COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1CCCCC1)NC2=O ZINC000952862266 1066372904 /nfs/dbraw/zinc/37/29/04/1066372904.db2.gz NRJQNGLSHSAPIM-VKVQOMGUSA-N 0 0 689.814 2.048 50 0 KEAARN NC(=O)CN1CCC(C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CC1 ZINC000952862280 1066372671 /nfs/dbraw/zinc/37/26/71/1066372671.db2.gz HWSGQFZXQFQNQM-UHFFFAOYSA-N 0 0 504.631 2.500 50 0 KEAARN CNC(=O)CCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862297 1066372705 /nfs/dbraw/zinc/37/27/05/1066372705.db2.gz IBZVJAHITTVCDQ-XTEPFMGCSA-N 0 0 514.586 2.345 50 0 KEAARN CC(=O)N1CCC(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)CC1 ZINC000952862304 1066372738 /nfs/dbraw/zinc/37/27/38/1066372738.db2.gz IDLGIQIQWYFOJH-CONSDPRKSA-N 0 0 620.747 2.497 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C)c(F)c3F)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952862309 1066372716 /nfs/dbraw/zinc/37/27/16/1066372716.db2.gz NXOPFJFXOGMAJT-OXYVHWKJSA-N 0 0 714.836 2.117 50 0 KEAARN Cc1ccc2cc1OCCCn1cc(nn1)CCN(Cc1cnn(-c3ccc(F)cc3)c1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952862332 1066372621 /nfs/dbraw/zinc/37/26/21/1066372621.db2.gz OBFWKTWDCBKJPM-MNNSJKJDSA-N 0 0 604.687 2.034 50 0 KEAARN CCc1ccccc1C(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N2C1 ZINC000952862339 1066372854 /nfs/dbraw/zinc/37/28/54/1066372854.db2.gz OBWBSGJYZCCBAK-WPLZDSEJSA-N 0 0 692.883 2.093 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cccc(c2)CNC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC1=O ZINC000952862355 1066373120 /nfs/dbraw/zinc/37/31/20/1066373120.db2.gz OKBQKJPYABLXPJ-HOYKHHGWSA-N 0 0 596.088 2.220 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cn(C)cn3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952862377 1066373143 /nfs/dbraw/zinc/37/31/43/1066373143.db2.gz LYZKRKLLVLCSRH-OFVILXPXSA-N 0 0 505.575 2.192 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)Cc2cccs2)CCNC1=O ZINC000952862380 1066373176 /nfs/dbraw/zinc/37/31/76/1066373176.db2.gz ISZUSLQPDPFHQR-HSZRJFAPSA-N 0 0 556.664 2.446 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)CSc2ccncc2)CCNC1=O ZINC000952862384 1066373128 /nfs/dbraw/zinc/37/31/28/1066373128.db2.gz ITGOMYLHFBVPCI-MBBMMDPKSA-N 0 0 715.277 2.099 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(C)n3nc(C)cc3n1)CCCNC(=O)CC2 ZINC000952862386 1066373420 /nfs/dbraw/zinc/37/34/20/1066373420.db2.gz OYBXCCMDDYVFRO-QHCPKHFHSA-N 0 0 621.739 2.072 50 0 KEAARN CCc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c4ccc(C)c(c4)OCCCn4cc(nn4)CC3)[nH]n2)cc1 ZINC000952862429 1066373091 /nfs/dbraw/zinc/37/30/91/1066373091.db2.gz JVYABXOYIGWZER-RCRUUEGKSA-N 0 0 628.734 2.302 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3cnn(C)c3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862442 1066373358 /nfs/dbraw/zinc/37/33/58/1066373358.db2.gz NLAUWNXFYUBXGP-VMPREFPWSA-N 0 0 620.707 2.399 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3nc4ccccn4c3F)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862467 1066373313 /nfs/dbraw/zinc/37/33/13/1066373313.db2.gz OCNHVOWXJCEBGS-GASGPIRDSA-N 0 0 755.848 2.324 50 0 KEAARN Cc1nnc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)s1 ZINC000952862483 1066373295 /nfs/dbraw/zinc/37/32/95/1066373295.db2.gz ABERPGASOIDOTF-BHDXBOSCSA-N 0 0 673.844 2.102 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)C3CCCC3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862506 1066373160 /nfs/dbraw/zinc/37/31/60/1066373160.db2.gz AGACTMCHMCWJJB-UYEZAFAQSA-N 0 0 689.854 2.413 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCCn1cccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952862518 1066373247 /nfs/dbraw/zinc/37/32/47/1066373247.db2.gz OWIDENYCBUTPMT-NDEPHWFRSA-N 0 0 628.734 2.275 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(CC(C)C)nn1C)CCCNC2=O ZINC000952862541 1066373329 /nfs/dbraw/zinc/37/33/29/1066373329.db2.gz AZWXMGXDJSVSPK-NRFANRHFSA-N 0 0 584.718 2.025 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952862545 1066373344 /nfs/dbraw/zinc/37/33/44/1066373344.db2.gz BBIIRSRKFAXGGU-LSYYVWMOSA-N 0 0 550.656 2.404 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)CCCc2ccc(F)cc2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952862551 1066373434 /nfs/dbraw/zinc/37/34/34/1066373434.db2.gz BDTAEPSLIDRNQW-UMNYJUJISA-N 0 0 603.699 2.080 50 0 KEAARN NC(=O)CCCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952862562 1066373193 /nfs/dbraw/zinc/37/31/93/1066373193.db2.gz BKPAVMNDMIUXBO-XTEPFMGCSA-N 0 0 514.586 2.474 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)CCc3ccccn3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862565 1066373229 /nfs/dbraw/zinc/37/32/29/1066373229.db2.gz BGSPINMESMVSPS-NUXXNWGHSA-N 0 0 726.875 2.251 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1nc3cc(C)ccn3c1F)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952862568 1066373215 /nfs/dbraw/zinc/37/32/15/1066373215.db2.gz BNIVSIVJEKYGNW-LYFPGCHRSA-N 0 0 749.845 2.414 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cn(C)c3ccccc23)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952862609 1066373894 /nfs/dbraw/zinc/37/38/94/1066373894.db2.gz CHILMMSAPYDRIH-DFLRLQOUSA-N 0 0 690.842 2.055 50 0 KEAARN Cc1n[nH]nc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3C)C(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952862630 1066373720 /nfs/dbraw/zinc/37/37/20/1066373720.db2.gz PTBOXCXXBWWGOL-FCHUYYIVSA-N 0 0 518.574 2.216 50 0 KEAARN Cc1ccccc1-c1noc(CCC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)n1 ZINC000952862632 1066373847 /nfs/dbraw/zinc/37/38/47/1066373847.db2.gz PWKAUKNNEPNSBQ-WIRXVTQYSA-N 0 0 659.788 2.041 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCN3CCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862659 1066373769 /nfs/dbraw/zinc/37/37/69/1066373769.db2.gz CTBFYPYDKUGYNK-ZCYQVOJMSA-N 0 0 534.613 2.098 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(C)nc(C)n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952862665 1066373691 /nfs/dbraw/zinc/37/36/91/1066373691.db2.gz CXEWBQXOSQWUST-MHZLTWQESA-N 0 0 626.718 2.318 50 0 KEAARN COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)CC1CCCCC1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952862670 1066373795 /nfs/dbraw/zinc/37/37/95/1066373795.db2.gz CRQGQNDFIMPPFX-DFLRLQOUSA-N 0 0 703.841 2.044 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)C3CCC3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952862701 1066373704 /nfs/dbraw/zinc/37/37/04/1066373704.db2.gz CYXIIDNOWYHKDG-GASGPIRDSA-N 0 0 675.827 2.023 50 0 KEAARN COc1ccc(C(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)c2ccccc12 ZINC000952862706 1066373616 /nfs/dbraw/zinc/37/36/16/1066373616.db2.gz KSVRWCCARTTXFS-URXFXBBRSA-N 0 0 514.542 2.067 50 0 KEAARN CN(CC(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1)Cc1cccnc1 ZINC000952862727 1066373649 /nfs/dbraw/zinc/37/36/49/1066373649.db2.gz DKWBXRQGUZAMJJ-UHFFFAOYSA-N 0 0 531.661 2.098 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cncnc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952862745 1066373805 /nfs/dbraw/zinc/37/38/05/1066373805.db2.gz QPLJZUGIVWLKGM-SVBPBHIXSA-N 0 0 590.637 2.137 50 0 KEAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952862766 1066373757 /nfs/dbraw/zinc/37/37/57/1066373757.db2.gz LJXJSVLUNYNKOX-RRPNLBNLSA-N 0 0 610.719 2.175 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc4ccccc4o3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952862782 1066373750 /nfs/dbraw/zinc/37/37/50/1066373750.db2.gz QYCHPHHABLKQGC-VLQSZWPXSA-N 0 0 704.850 2.277 50 0 KEAARN Cc1nnnn1CCC(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCn1cc(nn1)CO3 ZINC000952862798 1066373709 /nfs/dbraw/zinc/37/37/09/1066373709.db2.gz QZDYOKRJFMOCFW-AREMUKBSSA-N 0 0 500.563 2.499 50 0 KEAARN C[C@@H]1NC(=O)COc2cccc(c2)CC2(CNC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C1=O)CCN(C(=O)CSC13CC4CC(CC(C4)C1)C3)CC2 ZINC000952862799 1066373780 /nfs/dbraw/zinc/37/37/80/1066373780.db2.gz DWIZKIDHDYBCGO-LGCLCJHBSA-N 0 0 723.937 2.021 50 0 KEAARN Cc1cccc(=O)n1CCC(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952862803 1066373635 /nfs/dbraw/zinc/37/36/35/1066373635.db2.gz RCHSNYUBHJIKAL-UHFFFAOYSA-N 0 0 532.645 2.131 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Cl)cc3F)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952862819 1066373738 /nfs/dbraw/zinc/37/37/38/1066373738.db2.gz DULWHNDTCDYMII-HAJQVXNWSA-N 0 0 717.264 2.323 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)C3CC3)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952862857 1066373908 /nfs/dbraw/zinc/37/39/08/1066373908.db2.gz MLLUFQYKAHUYNJ-ZEQRLZLVSA-N 0 0 537.613 2.338 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952862865 1066373877 /nfs/dbraw/zinc/37/38/77/1066373877.db2.gz MXOWUFUCTWFVKT-RRPNLBNLSA-N 0 0 605.692 2.349 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2noc3c2CCCC3)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952862895 1066373864 /nfs/dbraw/zinc/37/38/64/1066373864.db2.gz SBQYGIAIKFTBPL-AFPLUKJUSA-N 0 0 710.836 2.449 50 0 KEAARN CCc1nnc(CN2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)[nH]1 ZINC000952862903 1066374277 /nfs/dbraw/zinc/37/42/77/1066374277.db2.gz NNYUVGHIRZMDBR-IGKIAQTJSA-N 0 0 592.697 2.475 50 0 KEAARN CCOc1ccccc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952862905 1066374403 /nfs/dbraw/zinc/37/44/03/1066374403.db2.gz NOTGNCDYTKMGIK-VWLOTQADSA-N 0 0 544.656 2.389 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(S(=O)(=O)c1c(C)nn(C)c1Cl)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952862912 1066374314 /nfs/dbraw/zinc/37/43/14/1066374314.db2.gz NOWPOJCSMDJMSL-VWLOTQADSA-N 0 0 685.207 2.155 50 0 KEAARN COc1ccc(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)cn1 ZINC000952862928 1066374200 /nfs/dbraw/zinc/37/42/00/1066374200.db2.gz SLUWFFKIMWOOSW-UHFFFAOYSA-N 0 0 504.591 2.288 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(CC(=O)N3CCCCCC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862938 1066374170 /nfs/dbraw/zinc/37/41/70/1066374170.db2.gz SOMSAJSPCJWMJB-SVBPBHIXSA-N 0 0 565.671 2.064 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952862942 1066374058 /nfs/dbraw/zinc/37/40/58/1066374058.db2.gz NXOXWFSSLZQYQP-SQMWVJLWSA-N 0 0 671.706 2.199 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)cc3Cl)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952862967 1066374217 /nfs/dbraw/zinc/37/42/17/1066374217.db2.gz OMBYTOPXCGIXNN-HAJQVXNWSA-N 0 0 717.264 2.323 50 0 KEAARN CCc1nc(C)c(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)s1 ZINC000952862969 1066374095 /nfs/dbraw/zinc/37/40/95/1066374095.db2.gz OODZKHIRTDHAMY-QFIPXVFZSA-N 0 0 549.701 2.318 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCc1ccc3c(c1)OCO3)CCCNC2=O ZINC000952862978 1066374418 /nfs/dbraw/zinc/37/44/18/1066374418.db2.gz PMMWNZORGZJURZ-NRFANRHFSA-N 0 0 596.681 2.141 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)Cc3csc(C)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952862984 1066374184 /nfs/dbraw/zinc/37/41/84/1066374184.db2.gz PSHDPZAGLHIFFK-DQEYMECFSA-N 0 0 565.652 2.196 50 0 KEAARN COCCOCC(=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863053 1066374358 /nfs/dbraw/zinc/37/43/58/1066374358.db2.gz RKDZYKBHZZLIBP-XTEPFMGCSA-N 0 0 517.586 2.482 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1noc3c1CCCC3)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952863084 1066374111 /nfs/dbraw/zinc/37/41/11/1066374111.db2.gz FHVAMJHWUGXDJA-VDALTMKYSA-N 0 0 722.844 2.185 50 0 KEAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)CSc2cn(C)c3ccccc23)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952863097 1066374078 /nfs/dbraw/zinc/37/40/78/1066374078.db2.gz SGMVRRDEHJZXJB-YGPDHOBYSA-N 0 0 648.830 2.334 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccc(Cl)cn2)CCNC1=O ZINC000952863104 1066374156 /nfs/dbraw/zinc/37/41/56/1066374156.db2.gz BMLQESDRKBRQGM-LVPRMVSMSA-N 0 0 703.628 2.274 50 0 KEAARN O=C(c1cccn2cnnc12)N1CC[C@@H]2OCc3cccc(c3)Oc3cncc(c3)C(=O)NCCCC(=O)N[C@H]2C1 ZINC000952863107 1066374262 /nfs/dbraw/zinc/37/42/62/1066374262.db2.gz FNFJWIRVQMTDMM-DQEYMECFSA-N 0 0 555.595 2.356 50 0 KEAARN COCCn1ccnc1CN1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952863127 1066374373 /nfs/dbraw/zinc/37/43/73/1066374373.db2.gz SUDHHOJDXWWDPD-UHFFFAOYSA-N 0 0 507.639 2.087 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(Cc3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863130 1066374575 /nfs/dbraw/zinc/37/45/75/1066374575.db2.gz FWSAYTIQVIWQNJ-UIOOFZCWSA-N 0 0 535.601 2.467 50 0 KEAARN CCn1ncnc1CN1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863131 1066374755 /nfs/dbraw/zinc/37/47/55/1066374755.db2.gz GAWRDZFADMDRLN-UPVQGACJSA-N 0 0 504.591 2.370 50 0 KEAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 ZINC000952863133 1066374711 /nfs/dbraw/zinc/37/47/11/1066374711.db2.gz FXOIASJZNLBWCY-CAJOGKIJSA-N 0 0 717.868 2.262 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952863163 1066374895 /nfs/dbraw/zinc/37/48/95/1066374895.db2.gz BYZGSQDYQZGWGM-HDXYBINASA-N 0 0 622.726 2.042 50 0 KEAARN COc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)ccc1F ZINC000952863177 1066374877 /nfs/dbraw/zinc/37/48/77/1066374877.db2.gz GNSPZGIXKZNSLD-DEOSSOPVSA-N 0 0 548.619 2.138 50 0 KEAARN O=C(CCCN1CCOCC1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952863180 1066374855 /nfs/dbraw/zinc/37/48/55/1066374855.db2.gz GQVJODMIOBRWQN-CONSDPRKSA-N 0 0 622.763 2.351 50 0 KEAARN Cc1cc(F)ccc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863181 1066374726 /nfs/dbraw/zinc/37/47/26/1066374726.db2.gz ULBOXOVFVNBWKL-VWLOTQADSA-N 0 0 532.620 2.438 50 0 KEAARN CCn1cnnc1CN1C[C@@H]2NC(=O)CN(CCOC)C(=O)CCc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863200 1066374770 /nfs/dbraw/zinc/37/47/70/1066374770.db2.gz GXVRQSLNBOQJDY-LSYYVWMOSA-N 0 0 592.697 2.406 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cn1ncc3ccccc31)CCCNC(=O)CC2 ZINC000952863205 1066374675 /nfs/dbraw/zinc/37/46/75/1066374675.db2.gz GZGGBLBIGFJEMA-QHCPKHFHSA-N 0 0 606.724 2.148 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCn3cncn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863230 1066374692 /nfs/dbraw/zinc/37/46/92/1066374692.db2.gz UZVUJEIGOPENOD-BJKOFHAPSA-N 0 0 532.601 2.157 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952863235 1066374798 /nfs/dbraw/zinc/37/47/98/1066374798.db2.gz VBOWSBJOENTRLY-PYIAGYOHSA-N 0 0 664.767 2.166 50 0 KEAARN COCCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952863258 1066374908 /nfs/dbraw/zinc/37/49/08/1066374908.db2.gz VGXPZAFXSMYEBH-SVBPBHIXSA-N 0 0 553.656 2.275 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(Cc3cnc(N4CCCC4)nc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863263 1066374844 /nfs/dbraw/zinc/37/48/44/1066374844.db2.gz UKLBVGOISTWSDG-NSOVKSMOSA-N 0 0 587.681 2.252 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc(-c3ncc[nH]3)s1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952863276 1066374630 /nfs/dbraw/zinc/37/46/30/1066374630.db2.gz VIXDVKBZNLOVKW-NHIVQQRJSA-N 0 0 753.923 2.413 50 0 KEAARN CCOCC(=O)N1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863294 1066374787 /nfs/dbraw/zinc/37/47/87/1066374787.db2.gz HVJOKPKKEVKAQA-UIOOFZCWSA-N 0 0 570.643 2.069 50 0 KEAARN CCc1ccc2occ(CC(=O)N3C[C@@H]4NC(=O)c5ncccc5OCCn5cc(nn5)CO[C@H]4C3)c2c1 ZINC000952863296 1066374660 /nfs/dbraw/zinc/37/46/60/1066374660.db2.gz VLRKAQRLIIJPSB-URXFXBBRSA-N 0 0 516.558 2.143 50 0 KEAARN CCn1cc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)cn1 ZINC000952863301 1066374553 /nfs/dbraw/zinc/37/45/53/1066374553.db2.gz VNJYYSFUNQUGCZ-WNJJXGMVSA-N 0 0 641.747 2.200 50 0 KEAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CN3CCCC3=O)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952863311 1066374645 /nfs/dbraw/zinc/37/46/45/1066374645.db2.gz VOMLQLLHCHSQHJ-LMSSTIIKSA-N 0 0 516.598 2.108 50 0 KEAARN COc1ccccc1CCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863314 1066374740 /nfs/dbraw/zinc/37/47/40/1066374740.db2.gz HYCCNMUICWOKIR-SANMLTNESA-N 0 0 558.683 2.318 50 0 KEAARN C[C@@H]1NC(=O)COc2cccc(c2)CC2(CNC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C1=O)CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000952863322 1066375402 /nfs/dbraw/zinc/37/54/02/1066375402.db2.gz IACIBGPSUJMSJR-HPFIMXAPSA-N 0 0 709.844 2.229 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccn(C)n3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952863396 1066375253 /nfs/dbraw/zinc/37/52/53/1066375253.db2.gz IQASUFSVQICVBV-DHLKQENFSA-N 0 0 505.575 2.192 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)CCn3cnnn3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863398 1066375159 /nfs/dbraw/zinc/37/51/59/1066375159.db2.gz ISCGGBMNABLOBC-IZZNHLLZSA-N 0 0 593.685 2.019 50 0 KEAARN CCc1nccc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)n1 ZINC000952863409 1066375285 /nfs/dbraw/zinc/37/52/85/1066375285.db2.gz AHEMZIVRCDFNQC-HJIQQCSTSA-N 0 0 681.842 2.295 50 0 KEAARN Cn1cnnc1SCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863416 1066375438 /nfs/dbraw/zinc/37/54/38/1066375438.db2.gz ITONUXOYEXWJCH-RPLLCQBOSA-N 0 0 532.626 2.064 50 0 KEAARN O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952863435 1066375077 /nfs/dbraw/zinc/37/50/77/1066375077.db2.gz JAMJZDFKXZZNPF-DEOSSOPVSA-N 0 0 571.682 2.015 50 0 KEAARN O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952863438 1066375143 /nfs/dbraw/zinc/37/51/43/1066375143.db2.gz JAMJZDFKXZZNPF-XMMPIXPASA-N 0 0 571.682 2.015 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CC(C)C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863448 1066375094 /nfs/dbraw/zinc/37/50/94/1066375094.db2.gz VZOKVKPJXHVTAH-ZEQRLZLVSA-N 0 0 510.591 2.234 50 0 KEAARN COCCN1CC(=O)N[C@@H](C(=O)N2CCC(C(C)C)CC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952863457 1066375383 /nfs/dbraw/zinc/37/53/83/1066375383.db2.gz WFKIFJGLRAZQEB-IZZNHLLZSA-N 0 0 558.720 2.007 50 0 KEAARN COCCN1CC(=O)N[C@H](C(=O)N2CCC(C(C)C)CC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O ZINC000952863459 1066375421 /nfs/dbraw/zinc/37/54/21/1066375421.db2.gz WFKIFJGLRAZQEB-UIOOFZCWSA-N 0 0 558.720 2.007 50 0 KEAARN CCOc1cc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc(Cl)c1OCC ZINC000952863467 1066375329 /nfs/dbraw/zinc/37/53/29/1066375329.db2.gz WGPYNVWXHFAKOQ-GBXCKJPGSA-N 0 0 598.104 2.204 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Cl)s3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952863480 1066362870 /nfs/dbraw/zinc/36/28/70/1066362870.db2.gz ADMYSJFDOZVPGB-BKUMNNRBSA-N 0 0 705.303 2.245 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2nn(C)c3c2CCCC3)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952863503 1066362952 /nfs/dbraw/zinc/36/29/52/1066362952.db2.gz BJFBHFYPNIQPON-HJIQQCSTSA-N 0 0 723.879 2.195 50 0 KEAARN CCc1ccc2nc(C)cc(C(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)c2c1 ZINC000952863506 1066362721 /nfs/dbraw/zinc/36/27/21/1066362721.db2.gz KDUWSKNMQLMWCJ-XZWHSSHBSA-N 0 0 622.730 2.188 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CSCc1nc(C)no1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863510 1066363260 /nfs/dbraw/zinc/36/32/60/1066363260.db2.gz PSVSCJSCZAWMID-SANMLTNESA-N 0 0 662.773 2.223 50 0 KEAARN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(C)c(c2)OCCCn2cc(nn2)CC1 ZINC000952863519 1066363318 /nfs/dbraw/zinc/36/33/18/1066363318.db2.gz PTJDVKIBFQBJIT-RCRUUEGKSA-N 0 0 629.718 2.242 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3cccn3)o2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952863527 1066363610 /nfs/dbraw/zinc/36/36/10/1066363610.db2.gz BKUJLCVVZGSLIQ-MSEJLTFDSA-N 0 0 735.846 2.420 50 0 KEAARN O=C(c1c[nH]c(=O)cn1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952863572 1066363565 /nfs/dbraw/zinc/36/35/65/1066363565.db2.gz QNJSFRLJFVJLDT-LBNVMWSVSA-N 0 0 523.553 2.216 50 0 KEAARN CO[C@H](C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O)c1ccccc1 ZINC000952863577 1066363346 /nfs/dbraw/zinc/36/33/46/1066363346.db2.gz XFFWEDRUUZGYNF-UIOOFZCWSA-N 0 0 544.656 2.065 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(CC(=O)Nc3cnn(C)c3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952863624 1066363936 /nfs/dbraw/zinc/36/39/36/1066363936.db2.gz CSWADEOAGMNGCP-FIBWVYCGSA-N 0 0 634.734 2.275 50 0 KEAARN CN1CCNC(=O)C[C@H]2CN(C(=O)C(C)(C)Oc3cccc4ccccc43)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952863666 1066367459 /nfs/dbraw/zinc/36/74/59/1066367459.db2.gz DMLAIXHMSHSIET-BKMJKUGQSA-N 0 0 597.676 2.090 50 0 KEAARN Cc1cc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@@H](c4ccccc4)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N3C2)sc1-c1ccccc1 ZINC000952863682 1066370990 /nfs/dbraw/zinc/37/09/90/1066370990.db2.gz RTUZTUUUBRTAAC-NKYFRXKISA-N 0 0 730.888 2.197 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc4cc[nH]c43)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952863725 1066376560 /nfs/dbraw/zinc/37/65/60/1066376560.db2.gz FTEGJWUUNDGGBS-LAWSTRCHSA-N 0 0 703.866 2.012 50 0 KEAARN COc1ccccc1CCC(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(O)cc(c2)C(=O)NCCC1 ZINC000952863727 1066376158 /nfs/dbraw/zinc/37/61/58/1066376158.db2.gz FZUSPKJFVVEHNY-NRFANRHFSA-N 0 0 568.671 2.118 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CCc2c[nH]c3ccccc23)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952863730 1066376808 /nfs/dbraw/zinc/37/68/08/1066376808.db2.gz SCCFYYSEVROKCB-ZTTQLQLLSA-N 0 0 704.869 2.363 50 0 KEAARN Cn1nc(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)c2c1CCCC2 ZINC000952863747 1066376817 /nfs/dbraw/zinc/37/68/17/1066376817.db2.gz SIRLAAQOZRYIIM-UHFFFAOYSA-N 0 0 531.661 2.497 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1cc(CC(C)C)on1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952863754 1066376850 /nfs/dbraw/zinc/37/68/50/1066376850.db2.gz YHZYULXFXIZQKF-MCKSPXCPSA-N 0 0 728.888 2.148 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3scnc3C)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952863763 1066377018 /nfs/dbraw/zinc/37/70/18/1066377018.db2.gz FWUJVTXSFCTXRA-SYQUUIDJSA-N 0 0 718.877 2.302 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(CC(=O)N3CCc4ccccc43)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863790 1066377080 /nfs/dbraw/zinc/37/70/80/1066377080.db2.gz DCFOVFURYPPVQJ-YTMVLYRLSA-N 0 0 585.661 2.251 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(Cc3c(C)nn(C)c3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863796 1066376948 /nfs/dbraw/zinc/37/69/48/1066376948.db2.gz GJLXWIBGCWJTSP-SVBPBHIXSA-N 0 0 548.644 2.212 50 0 KEAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2csc(Cc3ccccc3)n2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952863799 1066377041 /nfs/dbraw/zinc/37/70/41/1066377041.db2.gz DDHDJIXKSFJKLS-AGAMXPQUSA-N 0 0 674.824 2.107 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2ccoc2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952863813 1066376916 /nfs/dbraw/zinc/37/69/16/1066376916.db2.gz GFMCSUCXNNIDIG-XDFJSJKPSA-N 0 0 655.756 2.176 50 0 KEAARN Cn1c(=O)c(C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)cc2c1CCCC2 ZINC000952863815 1066377095 /nfs/dbraw/zinc/37/70/95/1066377095.db2.gz GRLVAPYGNZFBAA-UHFFFAOYSA-N 0 0 558.683 2.462 50 0 KEAARN CC(C)c1cc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)nc2ncnn21 ZINC000952863838 1066376887 /nfs/dbraw/zinc/37/68/87/1066376887.db2.gz TXUUFNNFMJSNMS-REWPJTCUSA-N 0 0 566.022 2.115 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(Cc3nc(C)c(C)n3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952863843 1066377054 /nfs/dbraw/zinc/37/70/54/1066377054.db2.gz GLELJTQXGCEGTP-UIOOFZCWSA-N 0 0 548.644 2.212 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952863848 1066376830 /nfs/dbraw/zinc/37/68/30/1066376830.db2.gz YWDUSWTZQNNZAN-IZZNHLLZSA-N 0 0 591.665 2.339 50 0 KEAARN Cn1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)ccc1=O ZINC000952863863 1066376789 /nfs/dbraw/zinc/37/67/89/1066376789.db2.gz VVKFDCMFKIKPQL-VMPREFPWSA-N 0 0 602.688 2.251 50 0 KEAARN CCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(ccc3OC)C(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952863864 1066376935 /nfs/dbraw/zinc/37/69/35/1066376935.db2.gz JEGQYYUCHQZBRZ-GOTSBHOMSA-N 0 0 525.602 2.338 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc3c(n(C)c1=O)CCCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863874 1066376764 /nfs/dbraw/zinc/37/67/64/1066376764.db2.gz UAPRCEJHOIMPLN-PMERELPUSA-N 0 0 681.794 2.489 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(CC(=O)Nc3ccn(C)n3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952863877 1066376871 /nfs/dbraw/zinc/37/68/71/1066376871.db2.gz DLZKEETXXUILKY-BJKOFHAPSA-N 0 0 546.628 2.321 50 0 KEAARN COc1ccccc1-c1ncc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)s1 ZINC000952863880 1066376901 /nfs/dbraw/zinc/37/69/01/1066376901.db2.gz JFORTDZSYUJHAL-RRPNLBNLSA-N 0 0 628.759 2.261 50 0 KEAARN O=C1N[C@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952863894 1066377386 /nfs/dbraw/zinc/37/73/86/1066377386.db2.gz DOIBPWIJHXCRQH-UPVQGACJSA-N 0 0 533.976 2.497 50 0 KEAARN Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952863905 1066377328 /nfs/dbraw/zinc/37/73/28/1066377328.db2.gz DQYYCYRXFITSOU-UPVQGACJSA-N 0 0 542.040 2.223 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cnc3ccccc3n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952863915 1066377286 /nfs/dbraw/zinc/37/72/86/1066377286.db2.gz WHFHXRRXRYBNPR-JZOXGFSOSA-N 0 0 729.839 2.262 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CN3CCCCC3=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952863922 1066377494 /nfs/dbraw/zinc/37/74/94/1066377494.db2.gz WNCROPMOUBHWJH-NSOVKSMOSA-N 0 0 623.707 2.045 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2ccc(OC(F)F)cc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952863937 1066377360 /nfs/dbraw/zinc/37/73/60/1066377360.db2.gz UDPWWIWBXSBKCS-JUJMZJBPSA-N 0 0 703.784 2.165 50 0 KEAARN CCOCCC(=O)N1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863943 1066377258 /nfs/dbraw/zinc/37/72/58/1066377258.db2.gz UEBCJURDIYGAPN-SVBPBHIXSA-N 0 0 584.670 2.459 50 0 KEAARN COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1ccc(Cl)s1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952863946 1066377447 /nfs/dbraw/zinc/37/74/47/1066377447.db2.gz WPKGKHYLRJXRAZ-XVQWFWDQSA-N 0 0 710.257 2.462 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(=O)n(C)n3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952863962 1066377273 /nfs/dbraw/zinc/37/72/73/1066377273.db2.gz UJLJBAGTESSNBF-WUFINQPMSA-N 0 0 647.729 2.309 50 0 KEAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1 ZINC000952863972 1066377339 /nfs/dbraw/zinc/37/73/39/1066377339.db2.gz FFJAGQCGXRYYDK-YGPDHOBYSA-N 0 0 629.762 2.062 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(C(C)C)n3ncnc3n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863981 1066377310 /nfs/dbraw/zinc/37/73/10/1066377310.db2.gz JZDPLEGJXIDJOL-MHZLTWQESA-N 0 0 680.770 2.473 50 0 KEAARN CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccc(C(F)(F)F)c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952863991 1066377372 /nfs/dbraw/zinc/37/73/72/1066377372.db2.gz KLCZBWVTEIJPLR-OPXMRZJTSA-N 0 0 617.669 2.383 50 0 KEAARN Cc1cc(=O)n(CC(=O)N2CC[C@@]34c5ccccc5N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)C4=O)nc1C ZINC000952864004 1066377531 /nfs/dbraw/zinc/37/75/31/1066377531.db2.gz WXGBYYSKFUKMHT-IGYGKHONSA-N 0 0 555.635 2.359 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864031 1066377490 /nfs/dbraw/zinc/37/74/90/1066377490.db2.gz HPOJXUPBUYKCBS-WUFINQPMSA-N 0 0 613.719 2.087 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3[nH]cnc3C)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864050 1066377300 /nfs/dbraw/zinc/37/73/00/1066377300.db2.gz HTLOKVSZXLRYIC-URXFXBBRSA-N 0 0 505.575 2.490 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3csc4c3CCCC4)C[C@@H]1NC2=O ZINC000952864058 1066377517 /nfs/dbraw/zinc/37/75/17/1066377517.db2.gz XNVASTAWVLFTSP-REWPJTCUSA-N 0 0 523.615 2.459 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3nnc(C)[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864069 1066377396 /nfs/dbraw/zinc/37/73/96/1066377396.db2.gz KYVCRDCJOQIPPU-SVBPBHIXSA-N 0 0 621.695 2.092 50 0 KEAARN Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc(C)c1O ZINC000952864095 1066377244 /nfs/dbraw/zinc/37/72/44/1066377244.db2.gz LDQMSJUKYUATJZ-VWLOTQADSA-N 0 0 544.656 2.313 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952864132 1066377923 /nfs/dbraw/zinc/37/79/23/1066377923.db2.gz LNYIFTCEHFUBSI-NUXXNWGHSA-N 0 0 767.884 2.375 50 0 KEAARN CC(C)c1ccc(-n2cc(CN3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)cn2)cc1 ZINC000952864143 1066377719 /nfs/dbraw/zinc/37/77/19/1066377719.db2.gz LSCBBLZFTNWRLP-IOWSJCHKSA-N 0 0 623.762 2.438 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc3c(c2)OCCO3)CCNC1=O ZINC000952864147 1066377896 /nfs/dbraw/zinc/37/78/96/1066377896.db2.gz LXVQURJSHIOZRR-XMMPIXPASA-N 0 0 594.644 2.227 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864154 1066377855 /nfs/dbraw/zinc/37/78/55/1066377855.db2.gz YEWPIVFRFCPPOL-VMPREFPWSA-N 0 0 648.717 2.388 50 0 KEAARN CC(C)C[C@@H]1NC(=O)CN(Cc2ccc(Cl)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000952864163 1066377975 /nfs/dbraw/zinc/37/79/75/1066377975.db2.gz YGRWHWOMSVRFGS-MZBJOSPHSA-N 0 0 570.134 2.377 50 0 KEAARN Cc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C2)cc(C)n1 ZINC000952864164 1066377962 /nfs/dbraw/zinc/37/79/62/1066377962.db2.gz MDGDJVCIRRWQRO-AHCWXFLVSA-N 0 0 651.768 2.054 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]1NC2=O ZINC000952864185 1066377839 /nfs/dbraw/zinc/37/78/39/1066377839.db2.gz YOLPJQOOGRVBBJ-URXFXBBRSA-N 0 0 535.605 2.290 50 0 KEAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1 ZINC000952864198 1066377812 /nfs/dbraw/zinc/37/78/12/1066377812.db2.gz IZSFSANEKPOXJX-JOYXZSCHSA-N 0 0 657.816 2.095 50 0 KEAARN Cc1cc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)c(C)o1 ZINC000952864213 1066378014 /nfs/dbraw/zinc/37/80/14/1066378014.db2.gz ZABDHGLUDPCJCX-NRZUKODWSA-N 0 0 686.210 2.435 50 0 KEAARN Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)ccc1F ZINC000952864224 1066377796 /nfs/dbraw/zinc/37/77/96/1066377796.db2.gz NDNMOODWGBMAAT-VWLOTQADSA-N 0 0 532.620 2.438 50 0 KEAARN CC(=O)c1c(C)nn(CC(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)c1C ZINC000952864235 1066378084 /nfs/dbraw/zinc/37/80/84/1066378084.db2.gz ZJHQYVYVGDXUSL-UHFFFAOYSA-N 0 0 547.660 2.287 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2ccc3c(c2)ncn3C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952864243 1066377826 /nfs/dbraw/zinc/37/78/26/1066377826.db2.gz JHRKMRGQAATJPL-MSEJLTFDSA-N 0 0 719.847 2.469 50 0 KEAARN Cc1cc2cccc(C(=O)N3C[C@@H]4C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cn4nn3)c2o1 ZINC000952864244 1066377908 /nfs/dbraw/zinc/37/79/08/1066377908.db2.gz MPPZVKUAVQGCLL-KMQNXVAFSA-N 0 0 597.676 2.287 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C3=NNC(=O)CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952864264 1066378032 /nfs/dbraw/zinc/37/80/32/1066378032.db2.gz ZRSIPHTWOYLIIL-RRPNLBNLSA-N 0 0 635.718 2.167 50 0 KEAARN Cc1n[nH]nc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952864287 1066378051 /nfs/dbraw/zinc/37/80/51/1066378051.db2.gz NECATXPNNAZRJO-BJKOFHAPSA-N 0 0 532.601 2.226 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2cnc3c(c2)CCCC3)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952864292 1066377882 /nfs/dbraw/zinc/37/78/82/1066377882.db2.gz NXHISMDKBVDZSC-VWEDRDCMSA-N 0 0 677.806 2.316 50 0 KEAARN CC(C)c1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)cc1 ZINC000952864300 1066378732 /nfs/dbraw/zinc/37/87/32/1066378732.db2.gz NXQJLPVBOUFLHV-CKIIDYPVSA-N 0 0 706.844 2.209 50 0 KEAARN CCn1ncnc1CN1CC[C@@H]2OCc3cccc(c3)Oc3cc(ccc3OC)C(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952864347 1066378357 /nfs/dbraw/zinc/37/83/57/1066378357.db2.gz OXFBBEJTGDOQFO-DQEYMECFSA-N 0 0 578.670 2.213 50 0 KEAARN O=C(Cc1cn2ccsc2n1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952864359 1066378413 /nfs/dbraw/zinc/37/84/13/1066378413.db2.gz FTERYIUWAWGNNN-FPOVZHCZSA-N 0 0 542.021 2.192 50 0 KEAARN CCc1nccn1CCC(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952864368 1066378446 /nfs/dbraw/zinc/37/84/46/1066378446.db2.gz VEGAJTBEDZJIAB-UHFFFAOYSA-N 0 0 519.650 2.420 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccccc2-c2nc[nH]n2)CCNC1=O ZINC000952864369 1066378615 /nfs/dbraw/zinc/37/86/15/1066378615.db2.gz FWTJYODWCRGFGH-RUZDIDTESA-N 0 0 603.659 2.241 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1cn3ccsc3n1)CCCNC(=O)CC2 ZINC000952864372 1066378369 /nfs/dbraw/zinc/37/83/69/1066378369.db2.gz VFHRXINHPCWDML-NRFANRHFSA-N 0 0 612.753 2.050 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cnn(-c3ccccc3)c2)CCNC1=O ZINC000952864394 1066378669 /nfs/dbraw/zinc/37/86/69/1066378669.db2.gz VLICEOGMCJYRTQ-ZGPVEHAFSA-N 0 0 734.258 2.411 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1C ZINC000952864400 1066378428 /nfs/dbraw/zinc/37/84/28/1066378428.db2.gz GIZMOJBIWQOLFY-VWLOTQADSA-N 0 0 544.656 2.308 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)C[C@@H]1NC2=O ZINC000952864423 1066378600 /nfs/dbraw/zinc/37/86/00/1066378600.db2.gz HJMWROOCDNAPDG-LSYYVWMOSA-N 0 0 571.638 2.381 50 0 KEAARN CC(=O)N1CCC(C(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952864436 1066378382 /nfs/dbraw/zinc/37/83/82/1066378382.db2.gz HKVACASWXMUZKO-BHBYDHKZSA-N 0 0 530.625 2.402 50 0 KEAARN Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)c1cc3c(C(F)(F)F)nn(C)c3s1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952864437 1066378475 /nfs/dbraw/zinc/37/84/75/1066378475.db2.gz HJTPLSUEDAPITI-HXOBKFHXSA-N 0 0 662.695 2.317 50 0 KEAARN C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NC2CCN(c3ccccc3)CC2)NC1=O ZINC000952864447 1066378532 /nfs/dbraw/zinc/37/85/32/1066378532.db2.gz HNFZLIDYJNLAPA-SKQHJFOWSA-N 0 0 694.833 2.115 50 0 KEAARN COc1ccc(-c2ccc(C(=O)N3CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc4cccc(c4)OCC(=O)NCCC3)c(=O)[nH]2)cc1 ZINC000952864449 1066378649 /nfs/dbraw/zinc/37/86/49/1066378649.db2.gz WCOZJTSAGKWHGW-FCXOZWAYSA-N 0 0 760.889 2.339 50 0 KEAARN Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H]3Cc4ccc(cc4)OCC(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C)C(=O)N3)c2)n1 ZINC000952864452 1066378400 /nfs/dbraw/zinc/37/84/00/1066378400.db2.gz WDCISZQFBZBSDR-KVUDDLCYSA-N 0 0 685.826 2.204 50 0 KEAARN CC(C)(C)c1cc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)[nH]n1 ZINC000952864483 1066378317 /nfs/dbraw/zinc/37/83/17/1066378317.db2.gz WOHPHTTUUODPDR-DEOSSOPVSA-N 0 0 532.693 2.371 50 0 KEAARN COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952864494 1066378434 /nfs/dbraw/zinc/37/84/34/1066378434.db2.gz HZPUXBMKGIHINJ-DNQXCXABSA-N 0 0 548.644 2.258 50 0 KEAARN CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccc3sccc3c2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O ZINC000952864495 1066378714 /nfs/dbraw/zinc/37/87/14/1066378714.db2.gz IAEYPARDLQIIBM-PJBRVGGZSA-N 0 0 633.771 2.274 50 0 KEAARN CC(C)C[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CN2C(=O)[C@H](CO)NC1=O ZINC000952864511 1066379002 /nfs/dbraw/zinc/37/90/02/1066379002.db2.gz WUSGEJVQTGJMDH-KNIQQNQGSA-N 0 0 751.325 2.402 50 0 KEAARN CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N(Cc2nccs2)Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O ZINC000952864515 1066379142 /nfs/dbraw/zinc/37/91/42/1066379142.db2.gz WWVJNUBBZRIONE-LWTLJRRESA-N 0 0 674.824 2.428 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccc(C(F)(F)F)nc3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952864533 1066379079 /nfs/dbraw/zinc/37/90/79/1066379079.db2.gz IVYXTHUZRJEJJT-FXAWDEMLSA-N 0 0 587.559 2.185 50 0 KEAARN Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(C)o1 ZINC000952864534 1066379123 /nfs/dbraw/zinc/37/91/23/1066379123.db2.gz XCARFCZBLUFDKK-DEOSSOPVSA-N 0 0 518.618 2.200 50 0 KEAARN Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952864555 1066378955 /nfs/dbraw/zinc/37/89/55/1066378955.db2.gz XEKTZYTYPPBOHV-DNQXCXABSA-N 0 0 518.618 2.167 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(Cc2ccnc(C(C)C)n2)CCNC1=O ZINC000952864557 1066379040 /nfs/dbraw/zinc/37/90/40/1066379040.db2.gz JGRBSXBUWALRGW-OIUQCLNLSA-N 0 0 698.269 2.499 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccncc1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864560 1066378898 /nfs/dbraw/zinc/37/88/98/1066378898.db2.gz KFDVNCYHSMHRTF-MHZLTWQESA-N 0 0 597.676 2.307 50 0 KEAARN O=C(c1cnc2c(c1)CCCC2)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864563 1066378965 /nfs/dbraw/zinc/37/89/65/1066378965.db2.gz JKLHAUOPAATKEL-MHZLTWQESA-N 0 0 555.683 2.264 50 0 KEAARN Cc1cc(O)ccc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864570 1066378983 /nfs/dbraw/zinc/37/89/83/1066378983.db2.gz JMZWNBIWCGKUPL-VWLOTQADSA-N 0 0 530.629 2.005 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)CCc3c[nH]c4ccccc34)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864571 1066379107 /nfs/dbraw/zinc/37/91/07/1066379107.db2.gz XKQYKJKIEKLDJI-SVMLWOSISA-N 0 0 731.920 2.331 50 0 KEAARN Cc1nn(C(C)C)c(C)c1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864575 1066379029 /nfs/dbraw/zinc/37/90/29/1066379029.db2.gz IZIRRMHHQBAJCF-VWLOTQADSA-N 0 0 560.703 2.385 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952864582 1066378992 /nfs/dbraw/zinc/37/89/92/1066378992.db2.gz JOXSCXLUIYTJDX-SVBPBHIXSA-N 0 0 562.667 2.498 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cc(-c3cccn3C)n[nH]2)CCNC1=O ZINC000952864590 1066378945 /nfs/dbraw/zinc/37/89/45/1066378945.db2.gz JRLPXLUHXDULGC-XMMPIXPASA-N 0 0 605.675 2.184 50 0 KEAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 ZINC000952864598 1066379092 /nfs/dbraw/zinc/37/90/92/1066379092.db2.gz JYAWMICABNVHMK-OCHQXGPDSA-N 0 0 628.709 2.090 50 0 KEAARN CCOc1ncccc1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CC1 ZINC000952864612 1066379014 /nfs/dbraw/zinc/37/90/14/1066379014.db2.gz JHRABVPTHYGVTC-XRHWURSXSA-N 0 0 713.236 2.019 50 0 KEAARN CCCCOc1ccccc1C(=O)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952864625 1066378973 /nfs/dbraw/zinc/37/89/73/1066378973.db2.gz KFNDACBECMCBRN-REWPJTCUSA-N 0 0 506.563 2.084 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccccc2-n2cccn2)CCNC1=O ZINC000952864626 1066378911 /nfs/dbraw/zinc/37/89/11/1066378911.db2.gz KSUBGZYMPLIKQK-UIMUBZIISA-N 0 0 734.258 2.411 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(Cc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952864640 1066379138 /nfs/dbraw/zinc/37/91/38/1066379138.db2.gz KUKNCUVJSPDRCE-AHCWXFLVSA-N 0 0 608.743 2.402 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccc[nH]1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864656 1066379551 /nfs/dbraw/zinc/37/95/51/1066379551.db2.gz KVOJNUMIUXGIAB-SANMLTNESA-N 0 0 585.665 2.240 50 0 KEAARN Cc1ccnc(SCC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)n1 ZINC000952864661 1066379445 /nfs/dbraw/zinc/37/94/45/1066379445.db2.gz NZZSPNVQVDBOPL-FPOVZHCZSA-N 0 0 544.037 2.131 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2scc3c2CCCC3)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952864679 1066379706 /nfs/dbraw/zinc/37/97/06/1066379706.db2.gz OCLPFRAABMUSOY-TWFMJERGSA-N 0 0 603.749 2.172 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)C3(C(N)=O)CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952864682 1066379455 /nfs/dbraw/zinc/37/94/55/1066379455.db2.gz OEVCPMAMROIMHC-IZZNHLLZSA-N 0 0 622.719 2.167 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnn(C)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952864687 1066379604 /nfs/dbraw/zinc/37/96/04/1066379604.db2.gz LDYQFMRXHKRNII-DHLKQENFSA-N 0 0 505.575 2.192 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CN(C)Cc1ccccc1F)CCCNC(=O)CC2 ZINC000952864699 1066379518 /nfs/dbraw/zinc/37/95/18/1066379518.db2.gz LEVIGCBTRNPUBB-DEOSSOPVSA-N 0 0 627.758 2.370 50 0 KEAARN Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)Cc1csc(-c3ccccc3)n1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952864700 1066379620 /nfs/dbraw/zinc/37/96/20/1066379620.db2.gz LLBIRKXCNXTXMR-MNNSJKJDSA-N 0 0 631.759 2.402 50 0 KEAARN Cc1noc(-c2ccnc(N3CCC4(CC3)Cc3cn(nn3)CCCNC(=O)[C@H](Cc3ccccc3)NC4=O)c2)n1 ZINC000952864707 1066379487 /nfs/dbraw/zinc/37/94/87/1066379487.db2.gz OOZCFWZIDDDHFW-DEOSSOPVSA-N 0 0 555.643 2.108 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc(C(C)=O)s1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952864718 1066379385 /nfs/dbraw/zinc/37/93/85/1066379385.db2.gz ZCFNKZIADQWQTJ-NHIVQQRJSA-N 0 0 729.897 2.226 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(F)c(Cl)c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864755 1066379668 /nfs/dbraw/zinc/37/96/68/1066379668.db2.gz OTQDZCGBJDLSNF-HAJQVXNWSA-N 0 0 717.264 2.323 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(S(=O)(=O)c3cn[nH]c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952864759 1066379469 /nfs/dbraw/zinc/37/94/69/1066379469.db2.gz LMXZSOVKCVVAJC-DQEYMECFSA-N 0 0 553.641 2.071 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(C)ccc3Cl)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864763 1066379534 /nfs/dbraw/zinc/37/95/34/1066379534.db2.gz ZMVHPUVBXLDJKN-CTEZAVQUSA-N 0 0 713.301 2.492 50 0 KEAARN Cc1ccccc1OCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864770 1066379499 /nfs/dbraw/zinc/37/94/99/1066379499.db2.gz LPUSXHAEVQOSQT-VWLOTQADSA-N 0 0 544.656 2.064 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)Cc1csc(C)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952864776 1066379370 /nfs/dbraw/zinc/37/93/70/1066379370.db2.gz ZOXBHNJCSQSDER-XVQWFWDQSA-N 0 0 712.874 2.012 50 0 KEAARN Cc1nc(C(C)C)sc1C(=O)N1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(C)c(c2)OCCCn2cc(nn2)CC1 ZINC000952864778 1066380164 /nfs/dbraw/zinc/38/01/64/1066380164.db2.gz LXRFXJXUUQVIJL-YKSBVNFPSA-N 0 0 597.742 2.238 50 0 KEAARN COc1ccc(C2(C(=O)N3CCC4(CC3)Cc3cn(nn3)CCCNC(=O)[C@H](Cc3ccccc3)NC4=O)CC2)cc1 ZINC000952864782 1066380064 /nfs/dbraw/zinc/38/00/64/1066380064.db2.gz ZVSFNQHVRDOEDI-MHZLTWQESA-N 0 0 570.694 2.417 50 0 KEAARN COc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)cc1Cl ZINC000952864809 1066380242 /nfs/dbraw/zinc/38/02/42/1066380242.db2.gz MGBAGDUTQNMYFP-OPXMRZJTSA-N 0 0 614.143 2.026 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864818 1066379874 /nfs/dbraw/zinc/37/98/74/1066379874.db2.gz PJRCBKRSUWPMPE-WNJJXGMVSA-N 0 0 622.719 2.133 50 0 KEAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(CC(=O)Nc3cnn(C)c3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864829 1066379931 /nfs/dbraw/zinc/37/99/31/1066379931.db2.gz MHIHBZQYQVBGGA-RRPNLBNLSA-N 0 0 576.654 2.411 50 0 KEAARN Cc1oc2c(c1C(=O)N1CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C1)C(=O)CCC2 ZINC000952864832 1066380147 /nfs/dbraw/zinc/38/01/47/1066380147.db2.gz QTGAOCGRVTXIDQ-ZRKWFTTGSA-N 0 0 694.789 2.462 50 0 KEAARN O=C(CN1CCOCC1)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864834 1066379915 /nfs/dbraw/zinc/37/99/15/1066379915.db2.gz QVSSFNJNWCXREW-LMSSTIIKSA-N 0 0 528.613 2.151 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(Cl)cc3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864846 1066380225 /nfs/dbraw/zinc/38/02/25/1066380225.db2.gz RBELOWCLPYPXBJ-CWPIJUQSSA-N 0 0 699.274 2.184 50 0 KEAARN Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)CCc1cccc(Cl)c1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952864853 1066380033 /nfs/dbraw/zinc/38/00/33/1066380033.db2.gz QFSVGCZVQKGULR-PIKZIKFNSA-N 0 0 597.116 2.322 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2cccc(C(F)(F)F)c2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952864861 1066380017 /nfs/dbraw/zinc/38/00/17/1066380017.db2.gz RGLOUGOFGIVVMR-NDBXHCKUSA-N 0 0 611.625 2.251 50 0 KEAARN O=C(CCOc1ccccc1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864875 1066379959 /nfs/dbraw/zinc/37/99/59/1066379959.db2.gz QMUREFYCSNFKJD-SANMLTNESA-N 0 0 544.656 2.146 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)CCc2nc3ccccc3s2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952864905 1066379974 /nfs/dbraw/zinc/37/99/74/1066379974.db2.gz QRJQICWBFZCCJW-AIKBEYBBSA-N 0 0 628.759 2.161 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc4ncccc43)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952864916 1066379945 /nfs/dbraw/zinc/37/99/45/1066379945.db2.gz QZSZROIWSGKCGT-OUPWPVDKSA-N 0 0 715.877 2.079 50 0 KEAARN O=C(CSC12CC3CC(CC(C3)C1)C2)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952864919 1066380049 /nfs/dbraw/zinc/38/00/49/1066380049.db2.gz SMMOIBKOSFDCNW-NTGQLEFLSA-N 0 0 538.674 2.294 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2c[nH]nc2C2CCCCC2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952864934 1066379889 /nfs/dbraw/zinc/37/98/89/1066379889.db2.gz SQYMXEUFMYIDRG-FYXMTGPRSA-N 0 0 709.889 2.334 50 0 KEAARN CCCc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)[nH]n1 ZINC000952864938 1066380079 /nfs/dbraw/zinc/38/00/79/1066380079.db2.gz RJYZEBXIDKTDSB-AFPLUKJUSA-N 0 0 697.841 2.258 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCc1scnc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952864943 1066379900 /nfs/dbraw/zinc/37/99/00/1066379900.db2.gz RRDKSOVHFCWXRR-LHESMFPCSA-N 0 0 730.929 2.046 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(CC(=O)N3CCOc4ccccc43)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952864951 1066380493 /nfs/dbraw/zinc/38/04/93/1066380493.db2.gz RZDTVXLTRZXCEX-WNJJXGMVSA-N 0 0 601.660 2.087 50 0 KEAARN Cc1ccc(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1 ZINC000952864963 1066380477 /nfs/dbraw/zinc/38/04/77/1066380477.db2.gz SJHYDWUZNCWOSN-SANMLTNESA-N 0 0 528.657 2.228 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CO)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952864964 1066380469 /nfs/dbraw/zinc/38/04/69/1066380469.db2.gz UCHVLCQXJPSDEH-DQEYMECFSA-N 0 0 525.602 2.336 50 0 KEAARN Cc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1F ZINC000952864975 1066380566 /nfs/dbraw/zinc/38/05/66/1066380566.db2.gz UHGNHZYOVDXKIL-VWLOTQADSA-N 0 0 532.620 2.438 50 0 KEAARN CC(C)n1cccc1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C1 ZINC000952864981 1066380691 /nfs/dbraw/zinc/38/06/91/1066380691.db2.gz SWMKOILGDTZULZ-YDZBWFOPSA-N 0 0 653.784 2.424 50 0 KEAARN COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ncoc3C3CC3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O ZINC000952864998 1066380708 /nfs/dbraw/zinc/38/07/08/1066380708.db2.gz KQVJWOCFRXWTIZ-GASGPIRDSA-N 0 0 728.847 2.402 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CSc3nncn3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865004 1066380507 /nfs/dbraw/zinc/38/05/07/1066380507.db2.gz KVEYZDLWKDBUDG-DQEYMECFSA-N 0 0 578.695 2.407 50 0 KEAARN COc1ccc(C2(C(=O)N3C[C@@H]4NC(=O)c5ncccc5OCCn5cc(nn5)CO[C@H]4C3)CCCC2)cc1 ZINC000952865035 1066380411 /nfs/dbraw/zinc/38/04/11/1066380411.db2.gz MNJUQRQAPNXDLI-UPVQGACJSA-N 0 0 532.601 2.112 50 0 KEAARN COc1cccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1C ZINC000952865051 1066380391 /nfs/dbraw/zinc/38/03/91/1066380391.db2.gz MVUDBXXCHPSQQJ-VWLOTQADSA-N 0 0 544.656 2.308 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3nccc4ccccc43)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952865066 1066380651 /nfs/dbraw/zinc/38/06/51/1066380651.db2.gz NCWNTOAWKCDUMB-WPLZDSEJSA-N 0 0 715.877 2.079 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)Cc1cc(F)cc(F)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865067 1066380452 /nfs/dbraw/zinc/38/04/52/1066380452.db2.gz OMJHIMDSVORSCQ-LDRWWPFQSA-N 0 0 731.838 2.169 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952865070 1066380436 /nfs/dbraw/zinc/38/04/36/1066380436.db2.gz NFCBVUTUPMYYPG-NSOVKSMOSA-N 0 0 616.737 2.395 50 0 KEAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCc3cnccn3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952865100 1066380421 /nfs/dbraw/zinc/38/04/21/1066380421.db2.gz OYUVVTWVVGQBQP-VMPREFPWSA-N 0 0 618.691 2.456 50 0 KEAARN O=C(C[C@H]1NC(=O)c2ccccc21)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952865115 1066380524 /nfs/dbraw/zinc/38/05/24/1066380524.db2.gz MTQHSIJQVAQXMF-AREMUKBSSA-N 0 0 542.640 2.446 50 0 KEAARN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952865116 1066380669 /nfs/dbraw/zinc/38/06/69/1066380669.db2.gz MTQHSIJQVAQXMF-SANMLTNESA-N 0 0 542.640 2.446 50 0 KEAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccc(=O)n(C)n3)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865119 1066380401 /nfs/dbraw/zinc/38/04/01/1066380401.db2.gz PBOUTGNXGJNSAA-UIOOFZCWSA-N 0 0 575.622 2.021 50 0 KEAARN CCc1noc(C)c1C(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952865123 1066380632 /nfs/dbraw/zinc/38/06/32/1066380632.db2.gz NBRITKLYHORTQN-FPOVZHCZSA-N 0 0 514.970 2.413 50 0 KEAARN Cc1ccc2c(CC(=O)N3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c4ccc(C)c(c4)OCCCn4cc(nn4)CC3)coc2c1 ZINC000952865134 1066380539 /nfs/dbraw/zinc/38/05/39/1066380539.db2.gz PGNIGLLFKRRPMM-RCRUUEGKSA-N 0 0 602.692 2.333 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc(-n3ccnc3)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865140 1066380722 /nfs/dbraw/zinc/38/07/22/1066380722.db2.gz OFWMCKVREOGCHZ-RFUXNCKSSA-N 0 0 747.894 2.148 50 0 KEAARN NC(=O)CN1CCC(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952865150 1066381067 /nfs/dbraw/zinc/38/10/67/1066381067.db2.gz UWPXKMXTUFHMFI-QCENPCRXSA-N 0 0 569.666 2.016 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)Cc3ccccc3Cl)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952865185 1066381206 /nfs/dbraw/zinc/38/12/06/1066381206.db2.gz UPLKZCLPPUCMAF-FJZJMOGZSA-N 0 0 713.301 2.113 50 0 KEAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952865212 1066381273 /nfs/dbraw/zinc/38/12/73/1066381273.db2.gz VIZAJHXCHGBIFJ-IGKIAQTJSA-N 0 0 587.633 2.034 50 0 KEAARN Cn1cnc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)c1 ZINC000952865241 1066380953 /nfs/dbraw/zinc/38/09/53/1066380953.db2.gz VJIZKLOAILAQOG-XCZPVHLTSA-N 0 0 575.666 2.286 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(Cc3nc(-c4ccc(C)cc4)no3)C[C@@H]1NC2=O ZINC000952865242 1066381019 /nfs/dbraw/zinc/38/10/19/1066381019.db2.gz VQUFITPMYYFLSL-URXFXBBRSA-N 0 0 531.573 2.237 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1oc(C)nc1C)CCCNC(=O)CC2 ZINC000952865253 1066381061 /nfs/dbraw/zinc/38/10/61/1066381061.db2.gz VUWFAPMVKSDMJW-FQEVSTJZSA-N 0 0 571.675 2.017 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc3c(nc1OC)CCC3)CCCNC(=O)CC2 ZINC000952865264 1066380994 /nfs/dbraw/zinc/38/09/94/1066380994.db2.gz OHNYCKRUBSNPAB-QFIPXVFZSA-N 0 0 623.751 2.305 50 0 KEAARN Cc1ccnn1CCC(=O)N1CCC2(Cc3cn(nn3)CCCOc3ccc(cc3)CCNC2=O)CC1 ZINC000952865279 1066380941 /nfs/dbraw/zinc/38/09/41/1066380941.db2.gz OPPABBFYIGVUBZ-UHFFFAOYSA-N 0 0 505.623 2.166 50 0 KEAARN O=C(CN1CCCC1=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865299 1066380968 /nfs/dbraw/zinc/38/09/68/1066380968.db2.gz QTFRTFKVZWFEGW-LMSSTIIKSA-N 0 0 526.597 2.441 50 0 KEAARN O=C(Cc1ccc2c(c1)OCO2)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952865305 1066381161 /nfs/dbraw/zinc/38/11/61/1066381161.db2.gz WDAITZNKVRYCLB-RDPSFJRHSA-N 0 0 539.976 2.211 50 0 KEAARN COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCn1c3cc(C)ccc3oc1=O)CCCNC2=O ZINC000952865339 1066381191 /nfs/dbraw/zinc/38/11/91/1066381191.db2.gz PGLXWHDQNHOGRZ-QFIPXVFZSA-N 0 0 623.707 2.086 50 0 KEAARN Cc1cc(C)cc(CCC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)c1 ZINC000952865363 1066380981 /nfs/dbraw/zinc/38/09/81/1066380981.db2.gz WLIUBPQZKXIUCC-CKIIDYPVSA-N 0 0 706.844 2.093 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)Cc3c[nH]c4ccccc34)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952865376 1066381176 /nfs/dbraw/zinc/38/11/76/1066381176.db2.gz XLJIWVKTIDQUQT-NBGIEHNGSA-N 0 0 571.638 2.181 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2csc(-c3cccs3)n2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952865377 1066381007 /nfs/dbraw/zinc/38/10/07/1066381007.db2.gz WSEPADYXHNUIMU-UPPNCUKMSA-N 0 0 632.772 2.417 50 0 KEAARN CN1CCNC(=O)C[C@H]2CN(C(=O)c3cc(C(F)(F)F)ccc3Cl)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952865378 1066381145 /nfs/dbraw/zinc/38/11/45/1066381145.db2.gz WTOLULNDADAXDF-YCRPNKLZSA-N 0 0 591.978 2.066 50 0 KEAARN Cc1cc2occ(CC(=O)N3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)c2cc1Cl ZINC000952865386 1066381832 /nfs/dbraw/zinc/38/18/32/1066381832.db2.gz WWXPZLOSPVFBNV-MHECFPHRSA-N 0 0 592.056 2.030 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cccc3c2CCC3=O)CCNC1=O ZINC000952865393 1066381629 /nfs/dbraw/zinc/38/16/29/1066381629.db2.gz XSZDZKUUOZEZSN-DEVXKSAMSA-N 0 0 722.243 2.354 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3c[nH]c(C)n3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865404 1066381783 /nfs/dbraw/zinc/38/17/83/1066381783.db2.gz PXRXOZFDXDTXNQ-DHLKQENFSA-N 0 0 505.575 2.490 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)Cc3ccc(F)cc3Cl)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952865405 1066381559 /nfs/dbraw/zinc/38/15/59/1066381559.db2.gz XFXNSKRPWNKLIH-FDDCHVKYSA-N 0 0 585.036 2.492 50 0 KEAARN O=C(c1ccc(Cl)cc1O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865413 1066381902 /nfs/dbraw/zinc/38/19/02/1066381902.db2.gz QDVCHAOOHMLEID-QHCPKHFHSA-N 0 0 551.047 2.350 50 0 KEAARN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 ZINC000952865427 1066381669 /nfs/dbraw/zinc/38/16/69/1066381669.db2.gz XRAOYQMBTJWBFK-IZZNHLLZSA-N 0 0 589.649 2.238 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccc4ncsc4c3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952865444 1066381645 /nfs/dbraw/zinc/38/16/45/1066381645.db2.gz XZSYSYFRZVGUHF-PGRDOPGGSA-N 0 0 575.651 2.381 50 0 KEAARN CN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O ZINC000952865468 1066381698 /nfs/dbraw/zinc/38/16/98/1066381698.db2.gz YVAKOVWTCSTJIS-RRPNLBNLSA-N 0 0 562.667 2.498 50 0 KEAARN CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2cccc(-c3ccc(C)o3)c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O ZINC000952865500 1066381868 /nfs/dbraw/zinc/38/18/68/1066381868.db2.gz PJZBACPQPFSDRY-PSAXTXQXSA-N 0 0 657.768 2.047 50 0 KEAARN COc1ccc(F)cc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865512 1066381714 /nfs/dbraw/zinc/38/17/14/1066381714.db2.gz ZBGPTSWXUDMDGC-DEOSSOPVSA-N 0 0 548.619 2.138 50 0 KEAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCNC(=O)C2)NC1=O ZINC000952865515 1066381613 /nfs/dbraw/zinc/38/16/13/1066381613.db2.gz ZENMTUOXXXAYCP-JBOQNHBVSA-N 0 0 657.743 2.418 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(-c4ccccc4)on3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952865520 1066381680 /nfs/dbraw/zinc/38/16/80/1066381680.db2.gz PWIUXQAEANUAKE-MRPAEVBESA-N 0 0 731.876 2.186 50 0 KEAARN COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(CC(=O)N(C)C)CC[C@@H]1OCc1cccc(c1)O2 ZINC000952865546 1066381731 /nfs/dbraw/zinc/38/17/31/1066381731.db2.gz QSUVCKJVNDDXOX-DQEYMECFSA-N 0 0 524.618 2.175 50 0 KEAARN CCCCSCc1cc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)oc1C ZINC000952865552 1066381817 /nfs/dbraw/zinc/38/18/17/1066381817.db2.gz RAXTWJANTRWZCQ-GBXCKJPGSA-N 0 0 595.726 2.328 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)c3scc4c3OCCO4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865577 1066381848 /nfs/dbraw/zinc/38/18/48/1066381848.db2.gz RURZWQGWGXTLOX-GOTSBHOMSA-N 0 0 594.646 2.335 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccccc2-n2cncn2)CCNC1=O ZINC000952865596 1066381514 /nfs/dbraw/zinc/38/15/14/1066381514.db2.gz SKNMLHJQSGVITB-RUZDIDTESA-N 0 0 603.659 2.036 50 0 KEAARN O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2N1 ZINC000952865603 1066381885 /nfs/dbraw/zinc/38/18/85/1066381885.db2.gz SNHIGVRMAGCEMF-SVBPBHIXSA-N 0 0 520.630 2.001 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)CCC(=O)N(C)C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952865605 1066382463 /nfs/dbraw/zinc/38/24/63/1066382463.db2.gz SOIQIKAQIUDGFU-UIOOFZCWSA-N 0 0 550.656 2.354 50 0 KEAARN O=C1N[C@@H](C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCOc2cccc1c2 ZINC000952865625 1066382196 /nfs/dbraw/zinc/38/21/96/1066382196.db2.gz TWUAHGCIKFNXNG-UIOOFZCWSA-N 0 0 530.629 2.393 50 0 KEAARN Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 ZINC000952865631 1066382243 /nfs/dbraw/zinc/38/22/43/1066382243.db2.gz TXNKCBVWDQNDEL-XIHNVYIWSA-N 0 0 680.753 2.170 50 0 KEAARN CCc1nc(C)c(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)o1 ZINC000952865635 1066382132 /nfs/dbraw/zinc/38/21/32/1066382132.db2.gz ULCDVLTVGVPHEZ-ICSRJNTNSA-N 0 0 514.970 2.413 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccnn3C)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865646 1066382227 /nfs/dbraw/zinc/38/22/27/1066382227.db2.gz TZPQMARBEYJQGN-OFVILXPXSA-N 0 0 505.575 2.192 50 0 KEAARN Cn1nnc(-c2ccc(C(=O)N3CCC4(Cc5cn(nn5)CCCOc5ccc(cc5)CCNC4=O)CC3)cc2)n1 ZINC000952865649 1066382363 /nfs/dbraw/zinc/38/23/63/1066382363.db2.gz UNTMCUIDJWUNPO-UHFFFAOYSA-N 0 0 555.643 2.075 50 0 KEAARN COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1nn(C)c3cccc(Cl)c13)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952865651 1066382102 /nfs/dbraw/zinc/38/21/02/1066382102.db2.gz UOPBENWUNZINFX-LDRWWPFQSA-N 0 0 758.280 2.287 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c(C)cc(C)n(C)c1=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865664 1066382161 /nfs/dbraw/zinc/38/21/61/1066382161.db2.gz UJRMWGHZWSZGBL-NDEPHWFRSA-N 0 0 655.756 2.227 50 0 KEAARN O=C(CSc1ccncc1)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952865680 1066382176 /nfs/dbraw/zinc/38/21/76/1066382176.db2.gz VNBZEVTXPIQHBY-UNMCSNQZSA-N 0 0 529.022 2.427 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ncoc2C2CC2)CCNC1=O ZINC000952865681 1066382334 /nfs/dbraw/zinc/38/23/34/1066382334.db2.gz VOBCVQDMVUMPOZ-WMBPSLEXSA-N 0 0 699.209 2.091 50 0 KEAARN C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)CCSc2ccc3c(c2)OCCO3)CCCCN(C)C1=O ZINC000952865689 1066382275 /nfs/dbraw/zinc/38/22/75/1066382275.db2.gz VZSFIAVPBMXYCP-NRFANRHFSA-N 0 0 628.748 2.430 50 0 KEAARN CCc1nccn1CCC(=O)N1C[C@H]2c3cccc(c3)OCC(=O)N[C@H](CC(C)C)C(=O)N(CCOC)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H]2C1 ZINC000952865718 1066382416 /nfs/dbraw/zinc/38/24/16/1066382416.db2.gz XIPPRABVTMROGS-PSWJWLENSA-N 0 0 743.906 2.072 50 0 KEAARN CCc1nn(C)c(Cl)c1CN1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865744 1066382380 /nfs/dbraw/zinc/38/23/80/1066382380.db2.gz RNVMRRYJCHEAHQ-DEOSSOPVSA-N 0 0 553.111 2.300 50 0 KEAARN O=C1N[C@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]2OCc2cn(nn2)CCCOc2cccc1c2 ZINC000952865760 1066382261 /nfs/dbraw/zinc/38/22/61/1066382261.db2.gz SABMEVDYZGFLSC-DQEYMECFSA-N 0 0 518.622 2.041 50 0 KEAARN CCn1cc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cn1 ZINC000952865762 1066382290 /nfs/dbraw/zinc/38/22/90/1066382290.db2.gz SCULZRDAOBRMSZ-NDEPHWFRSA-N 0 0 600.724 2.488 50 0 KEAARN Cc1noc(C)c1CCC(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 ZINC000952865779 1066382209 /nfs/dbraw/zinc/38/22/09/1066382209.db2.gz SRYGNPKOHBCSTI-GMAHTHKFSA-N 0 0 528.997 2.478 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)C3CCCC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952865781 1066382447 /nfs/dbraw/zinc/38/24/47/1066382447.db2.gz VOIFESRXTPXUEC-DQEYMECFSA-N 0 0 522.602 2.379 50 0 KEAARN COc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(C)c1 ZINC000952865794 1066382149 /nfs/dbraw/zinc/38/21/49/1066382149.db2.gz TUFIZUSUOZMENR-SANMLTNESA-N 0 0 544.656 2.308 50 0 KEAARN CC(C)c1nc(-c2ccc(C(=O)N3C[C@@H]4NC(=O)c5ncccc5OCCn5cc(nn5)CO[C@H]4C3)cc2)no1 ZINC000952865795 1066382349 /nfs/dbraw/zinc/38/23/49/1066382349.db2.gz WALDHYGRMMBTEV-UNMCSNQZSA-N 0 0 544.572 2.079 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1csc(C(C)=O)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952865797 1066382219 /nfs/dbraw/zinc/38/22/19/1066382219.db2.gz TUPBYWLVTPZNID-MTIVAXCXSA-N 0 0 729.897 2.226 50 0 KEAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cnc(N4CCOCC4)nc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865805 1066382652 /nfs/dbraw/zinc/38/26/52/1066382652.db2.gz WGLZUZSCULXYSM-XCZPVHLTSA-N 0 0 572.666 2.385 50 0 KEAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 ZINC000952865809 1066382805 /nfs/dbraw/zinc/38/28/05/1066382805.db2.gz TWRYGVYNMBROOB-GETQSERPSA-N 0 0 722.859 2.421 50 0 KEAARN Cc1ncsc1CCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C1 ZINC000952865810 1066382783 /nfs/dbraw/zinc/38/27/83/1066382783.db2.gz WIGDMSARIXMRBS-OIFPXGRLSA-N 0 0 671.824 2.126 50 0 KEAARN CC1(CCC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)CC1 ZINC000952865813 1066382900 /nfs/dbraw/zinc/38/29/00/1066382900.db2.gz WJRBYZHXQCRHOE-QHCPKHFHSA-N 0 0 506.651 2.257 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C[C@@H]1NC(=O)CC2 ZINC000952865820 1066382775 /nfs/dbraw/zinc/38/27/75/1066382775.db2.gz XXFTZHSNGOMGDL-FCHUYYIVSA-N 0 0 550.612 2.366 50 0 KEAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CC[C@@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952865826 1066382993 /nfs/dbraw/zinc/38/29/93/1066382993.db2.gz WMMKJTACVRVUDR-BHBYDHKZSA-N 0 0 567.606 2.171 50 0 KEAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CN3CCOC3=O)CC[C@H]1OCc1cccc(c1)O2 ZINC000952865848 1066382918 /nfs/dbraw/zinc/38/29/18/1066382918.db2.gz UKGVGJMNCOAVOI-LOSJGSFVSA-N 0 0 566.611 2.018 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952865857 1066382759 /nfs/dbraw/zinc/38/27/59/1066382759.db2.gz YPOMHXXHPROXFZ-KLESUSOLSA-N 0 0 777.927 2.216 50 0 KEAARN O=C(CCc1ccccc1F)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865858 1066382883 /nfs/dbraw/zinc/38/28/83/1066382883.db2.gz WWSRQKWEFRRRMJ-SANMLTNESA-N 0 0 546.647 2.449 50 0 KEAARN CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cc3sccc3[nH]2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O ZINC000952865861 1066382631 /nfs/dbraw/zinc/38/26/31/1066382631.db2.gz WZSNOQFWWCJTFI-VFXDQDQSSA-N 0 0 682.844 2.106 50 0 KEAARN COCCN1CC(=O)N[C@H]2CN(C(=O)CSC)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952865896 1066382668 /nfs/dbraw/zinc/38/26/68/1066382668.db2.gz VCSUENMRROXELP-OZXSUGGESA-N 0 0 571.696 2.484 50 0 KEAARN COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3nnc(C)[nH]3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952865972 1066382682 /nfs/dbraw/zinc/38/26/82/1066382682.db2.gz ZBJJTMDMPARKDA-DHLKQENFSA-N 0 0 534.617 2.204 50 0 KEAARN COCc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)o1 ZINC000952865990 1066382864 /nfs/dbraw/zinc/38/28/64/1066382864.db2.gz VLXIGGINDYAPBQ-AFPLUKJUSA-N 0 0 699.809 2.322 50 0 KEAARN CCCc1nc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)cs1 ZINC000952865991 1066382646 /nfs/dbraw/zinc/38/26/46/1066382646.db2.gz VMCPTZTTZMRSMW-LAUBAEHRSA-N 0 0 567.672 2.180 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc4cccnc43)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952865995 1066382712 /nfs/dbraw/zinc/38/27/12/1066382712.db2.gz VQHNPVRCBDNPOZ-WPLZDSEJSA-N 0 0 715.877 2.079 50 0 KEAARN O=C(c1cc(Cl)ccc1O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952865999 1066382965 /nfs/dbraw/zinc/38/29/65/1066382965.db2.gz VWNKHHSKUUTTDS-QHCPKHFHSA-N 0 0 551.047 2.350 50 0 KEAARN Cc1cc2c(cc1CN1CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C1)OCCO2 ZINC000952866000 1066382813 /nfs/dbraw/zinc/38/28/13/1066382813.db2.gz VYBFLHVQZQAHGC-OATBXSGESA-N 0 0 680.806 2.481 50 0 KEAARN Cc1nc(C)c(CC(=O)N2CC[C@@]34c5ccccc5N(CC(=O)NCCCOc5cccc(c5)[C@H]23)C4=O)c(=O)[nH]1 ZINC000952866009 1066383525 /nfs/dbraw/zinc/38/35/25/1066383525.db2.gz WIBQDPRXBQZOIV-BHBYDHKZSA-N 0 0 541.608 2.498 50 0 KEAARN O=C(CCc1ccc(O)cc1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952866018 1066383242 /nfs/dbraw/zinc/38/32/42/1066383242.db2.gz WRXQGLHNJPWDAL-SANMLTNESA-N 0 0 544.656 2.015 50 0 KEAARN CN1CCNC(=O)C[C@H]2CN(Cc3c(Cl)cccc3Cl)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O ZINC000952866019 1066383362 /nfs/dbraw/zinc/38/33/62/1066383362.db2.gz WSHVHCAUXFKZQO-KSFYIVLOSA-N 0 0 544.443 2.060 50 0 KEAARN CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CCn3cncn3)CC[C@@]23c2ccccc2N(CC1=O)C3=O ZINC000952866021 1066383422 /nfs/dbraw/zinc/38/34/22/1066383422.db2.gz WTODXPDCUBRFTO-XTEPFMGCSA-N 0 0 514.586 2.167 50 0 KEAARN O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 ZINC000952866035 1066383466 /nfs/dbraw/zinc/38/34/66/1066383466.db2.gz XMAIXNSLTOEJFL-BJKOFHAPSA-N 0 0 632.043 2.441 50 0 KEAARN O=C(C1CCCCC1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952866069 1066383510 /nfs/dbraw/zinc/38/35/10/1066383510.db2.gz YTFBFMHGRARCBD-DEOSSOPVSA-N 0 0 506.651 2.257 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cccnc3=O)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952866077 1066383433 /nfs/dbraw/zinc/38/34/33/1066383433.db2.gz ZBUKUQCLRNGSIN-WUFINQPMSA-N 0 0 647.729 2.158 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cc(C)c(=O)[nH]c3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952866100 1066383480 /nfs/dbraw/zinc/38/34/80/1066383480.db2.gz ZZNZPVKCCPMXBV-RRPNLBNLSA-N 0 0 635.718 2.213 50 0 KEAARN CC(=O)N1CCCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CCNC(=O)C[C@H]1c1ccccc1 ZINC000952866523 1066383496 /nfs/dbraw/zinc/38/34/96/1066383496.db2.gz ATLKIZPFGOIVDH-DEOSSOPVSA-N 0 0 514.648 2.089 50 0 KEAARN CC(=O)N1CCCN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)CCNC(=O)C[C@@H]1c1ccccc1 ZINC000952866524 1066383343 /nfs/dbraw/zinc/38/33/43/1066383343.db2.gz ATLKIZPFGOIVDH-XMMPIXPASA-N 0 0 514.648 2.089 50 0 KEAARN COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)CCc3nc(-c4ccccc4)no3)C[C@@H]1CC(=O)NCCN(C)C2=O ZINC000952866561 1066383405 /nfs/dbraw/zinc/38/34/05/1066383405.db2.gz CGTIBSHOZSXYJZ-XUZZJYLKSA-N 0 0 614.663 2.140 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)CCc1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952866574 1066383190 /nfs/dbraw/zinc/38/31/90/1066383190.db2.gz CXGNLWQNWMDSAI-NPPOLANGSA-N 0 0 706.845 2.032 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)C2CCC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952866578 1066383448 /nfs/dbraw/zinc/38/34/48/1066383448.db2.gz CYFLYEZKVOXOGU-XDFJSJKPSA-N 0 0 643.789 2.069 50 0 KEAARN Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)c1=O ZINC000952866805 1066383252 /nfs/dbraw/zinc/38/32/52/1066383252.db2.gz DVWNGHVQCPVFEB-UHFFFAOYSA-N 0 0 502.571 2.345 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3sccc3Cl)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952866824 1066383202 /nfs/dbraw/zinc/38/32/02/1066383202.db2.gz FJHGMRQLEFQFQJ-NTBNGENLSA-N 0 0 705.303 2.245 50 0 KEAARN COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cn[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952866855 1066383979 /nfs/dbraw/zinc/38/39/79/1066383979.db2.gz GQYRSIRMDKGQSU-LOSJGSFVSA-N 0 0 564.643 2.374 50 0 KEAARN CCS(=O)(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952866987 1066383850 /nfs/dbraw/zinc/38/38/50/1066383850.db2.gz HYQPEMSGUTYNRN-UIOOFZCWSA-N 0 0 559.685 2.062 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)CSc2cn(C)c3ccccc23)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952867128 1066383816 /nfs/dbraw/zinc/38/38/16/1066383816.db2.gz JJCUORSYGQRIFM-ZOMOEZKFSA-N 0 0 642.786 2.202 50 0 KEAARN Cc1ccc2oc(=O)n(CCC(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)c2c1 ZINC000952867253 1066384119 /nfs/dbraw/zinc/38/41/19/1066384119.db2.gz KQKFPPJIRIISBY-RUZDIDTESA-N 0 0 635.697 2.448 50 0 KEAARN CCN1CC(=O)N[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O ZINC000952867268 1066384013 /nfs/dbraw/zinc/38/40/13/1066384013.db2.gz LJURICYEMNJADA-UIOOFZCWSA-N 0 0 577.642 2.031 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C)c(C)c3)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952867278 1066384136 /nfs/dbraw/zinc/38/41/36/1066384136.db2.gz LRJAGJNWNOJUEV-PAGGWMLNSA-N 0 0 692.883 2.147 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cnc3ccccc3n2)CCNC1=O ZINC000952867479 1066384062 /nfs/dbraw/zinc/38/40/62/1066384062.db2.gz NONFTTLLSWPCCP-RUZDIDTESA-N 0 0 588.644 2.399 50 0 KEAARN Cc1cc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)n1 ZINC000952867576 1066383888 /nfs/dbraw/zinc/38/38/88/1066383888.db2.gz PTIJLQHCDCBDRP-DHLKQENFSA-N 0 0 517.586 2.441 50 0 KEAARN CC(=O)c1c(C)nn(CCC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c1C ZINC000952867772 1066383901 /nfs/dbraw/zinc/38/39/01/1066383901.db2.gz RPXMTRBCCJWSJC-UPVQGACJSA-N 0 0 570.050 2.346 50 0 KEAARN O=C1NCCCn2cc(nn2)CC2(CCN(c3ccc(Cl)cn3)CC2)C(=O)N[C@H]1Cc1ccccc1 ZINC000952867826 1066383743 /nfs/dbraw/zinc/38/37/43/1066383743.db2.gz SKRFUVWGKXNSDG-QFIPXVFZSA-N 0 0 508.026 2.403 50 0 KEAARN Cc1ccccc1CSCC(=O)N1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 ZINC000952867832 1066383835 /nfs/dbraw/zinc/38/38/35/1066383835.db2.gz SWBVOMJYXOSYLJ-CWXIQCRMSA-N 0 0 711.926 2.491 50 0 KEAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CC(C)C)CCCNC(=O)CC2 ZINC000952867848 1066383759 /nfs/dbraw/zinc/38/37/59/1066383759.db2.gz UBDDCQZQBWJXIM-NRFANRHFSA-N 0 0 532.682 2.145 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CCc2cccnc2)CCNC1=O ZINC000952868113 1066375177 /nfs/dbraw/zinc/37/51/77/1066375177.db2.gz BRHRUTUNIHBQPW-RUZDIDTESA-N 0 0 565.650 2.169 50 0 KEAARN O=C(Cc1ccc(F)cc1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952868173 1066375210 /nfs/dbraw/zinc/37/52/10/1066375210.db2.gz CHSMMPGCYACLOC-VWLOTQADSA-N 0 0 532.620 2.059 50 0 KEAARN CSCc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)o1 ZINC000952868214 1066375195 /nfs/dbraw/zinc/37/51/95/1066375195.db2.gz FOOXZDDYTKFITL-QHCPKHFHSA-N 0 0 550.685 2.447 50 0 KEAARN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1 ZINC000952868245 1066375269 /nfs/dbraw/zinc/37/52/69/1066375269.db2.gz HBRCXDVJJWDJJP-OIFPXGRLSA-N 0 0 644.773 2.256 50 0 KEAARN CN1C[C@H](C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)Oc2ccccc21 ZINC000952868264 1066375367 /nfs/dbraw/zinc/37/53/67/1066375367.db2.gz HTFJHRBCDZHURM-HHHXNRCGSA-N 0 0 544.656 2.468 50 0 KEAARN CN1C[C@@H](C(=O)N2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)Oc2ccccc21 ZINC000952868265 1066375748 /nfs/dbraw/zinc/37/57/48/1066375748.db2.gz HTFJHRBCDZHURM-MHZLTWQESA-N 0 0 544.656 2.468 50 0 KEAARN CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)Cc2csc(-c3ccccc3)n2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000952868285 1066375675 /nfs/dbraw/zinc/37/56/75/1066375675.db2.gz IKIANIBIJVUUFO-UMNYJUJISA-N 0 0 640.770 2.284 50 0 KEAARN Cc1c(Cl)cc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1Cl ZINC000952868341 1066375830 /nfs/dbraw/zinc/37/58/30/1066375830.db2.gz KWZKVMXMUCMZPH-HTAPYJJXSA-N 0 0 572.453 2.009 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cc(=O)[nH]c3ccccc32)CCNC1=O ZINC000952868384 1066375862 /nfs/dbraw/zinc/37/58/62/1066375862.db2.gz MJXVRIRKQBKAPN-DEVXKSAMSA-N 0 0 735.242 2.479 50 0 KEAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1cnccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952868578 1066375873 /nfs/dbraw/zinc/37/58/73/1066375873.db2.gz CIHDYKNJFQVBKU-NDEPHWFRSA-N 0 0 626.718 2.021 50 0 KEAARN COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1csc(SC)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 ZINC000952868647 1066375910 /nfs/dbraw/zinc/37/59/10/1066375910.db2.gz QSORBDSDDLXPIU-NETJKIJISA-N 0 0 734.942 2.140 50 0 KEAARN Cc1cccc(Oc2ccc(C(=O)N3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)cc2)c1 ZINC000952868747 1066376006 /nfs/dbraw/zinc/37/60/06/1066376006.db2.gz FBHQEXMYYJLJTP-NEKDWFFYSA-N 0 0 595.660 2.494 50 0 KEAARN CCOCC(=O)N1CCC(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 ZINC000952868808 1066375691 /nfs/dbraw/zinc/37/56/91/1066375691.db2.gz TYGLKIMIPZXVIE-XCZPVHLTSA-N 0 0 592.693 2.360 50 0 KEAARN O=C(CSCc1ccccc1Cl)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952868837 1066375656 /nfs/dbraw/zinc/37/56/56/1066375656.db2.gz UJDBJDMEZULYOT-FPOVZHCZSA-N 0 0 529.022 2.178 50 0 KEAARN O=C(c1ccc(Cl)o1)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952869011 1066375710 /nfs/dbraw/zinc/37/57/10/1066375710.db2.gz GGAILFMCCDGOEK-FQEVSTJZSA-N 0 0 525.009 2.237 50 0 KEAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C1 ZINC000952869105 1066375734 /nfs/dbraw/zinc/37/57/34/1066375734.db2.gz IHXRJSGLFONRTI-CAVYSCNFSA-N 0 0 630.746 2.327 50 0 KEAARN CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccccc2-c2nc[nH]n2)CCNC1=O ZINC000952869171 1066375629 /nfs/dbraw/zinc/37/56/29/1066375629.db2.gz XXBWAIKJYBBDGW-BOGJOCPPSA-N 0 0 735.246 2.011 50 0 KEAARN O=C1N[C@H]2CN(C(=O)c3ccc(CO)cc3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952869183 1066375944 /nfs/dbraw/zinc/37/59/44/1066375944.db2.gz YGFCLLMPSHONTO-GMAHTHKFSA-N 0 0 511.966 2.046 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cc(CC(C)C)nn1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952869366 1066376210 /nfs/dbraw/zinc/37/62/10/1066376210.db2.gz HRXSDDPTOYSGRX-NPPOLANGSA-N 0 0 737.903 2.250 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1[nH]nc(C)c1Cl)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952869529 1066376456 /nfs/dbraw/zinc/37/64/56/1066376456.db2.gz ITZRZUQFFBQMAH-QPFIFXANSA-N 0 0 702.257 2.363 50 0 KEAARN NC(=O)CN1CCC(C(=O)N2CC[C@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)CC1 ZINC000952869546 1066376257 /nfs/dbraw/zinc/37/62/57/1066376257.db2.gz UWPXKMXTUFHMFI-IZEXYCQBSA-N 0 0 569.666 2.016 50 0 KEAARN CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2cc3c([nH]c2=O)CCC3)CCNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000952869692 1066376438 /nfs/dbraw/zinc/37/64/38/1066376438.db2.gz ZANRVEMRVQKJPB-QWOOXDRHSA-N 0 0 722.847 2.172 50 0 KEAARN O=C(Cn1nccn1)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952869725 1066376182 /nfs/dbraw/zinc/37/61/82/1066376182.db2.gz MEQORHJAXCEIPU-RRPNLBNLSA-N 0 0 574.638 2.295 50 0 KEAARN CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)CCCC(C)C)CN2C(=O)[C@H](C(C)C)NC1=O ZINC000952869781 1066376527 /nfs/dbraw/zinc/37/65/27/1066376527.db2.gz OJUAUCYJFDBNNH-BFCYXHQZSA-N 0 0 672.893 2.043 50 0 KEAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCNC(=O)C2)NC1=O ZINC000952869970 1066376339 /nfs/dbraw/zinc/37/63/39/1066376339.db2.gz RLPGLHKATVSZGW-JBOQNHBVSA-N 0 0 625.726 2.350 50 0 KEAARN Cc1n[nH]nc1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)N(C)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952869999 1066376352 /nfs/dbraw/zinc/37/63/52/1066376352.db2.gz STXMRNMFWCVUIO-RPLLCQBOSA-N 0 0 500.559 2.226 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1scc3c1OCCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952870155 1066376199 /nfs/dbraw/zinc/37/61/99/1066376199.db2.gz WBJOMHQCRVWVFB-QZANCMGBSA-N 0 0 741.868 2.151 50 0 KEAARN COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1c(C)nc3sccn31)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952870166 1066376307 /nfs/dbraw/zinc/37/63/07/1066376307.db2.gz TXAOMURQPPNGRE-FIYSCABWSA-N 0 0 737.884 2.336 50 0 KEAARN O=C(CCn1ccc(=O)[nH]c1=O)N1CC[C@]23c4ccccc4N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952870180 1066376224 /nfs/dbraw/zinc/37/62/24/1066376224.db2.gz WMMKJTACVRVUDR-FIBWVYCGSA-N 0 0 567.606 2.171 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)Cc2cn3ccsc3n2)CCNC1=O ZINC000952870207 1066376169 /nfs/dbraw/zinc/37/61/69/1066376169.db2.gz XSFGXKYYFYZIOB-HSZRJFAPSA-N 0 0 596.689 2.094 50 0 KEAARN COc1ccc2nc(C(F)(F)F)nc(N3CCNC(=O)CCN(C(=O)c4cnnc(C)c4)CC3)c2c1 ZINC000952878545 1066376280 /nfs/dbraw/zinc/37/62/80/1066376280.db2.gz ALAMTNRQXODXOY-UHFFFAOYSA-N 0 0 503.485 2.224 50 0 KEAARN COc1ccc2nc(C(F)(F)F)nc(N3CCNC(=O)CCN(C(=O)C4CCC(O)CC4)CC3)c2c1 ZINC000952883320 1066376421 /nfs/dbraw/zinc/37/64/21/1066376421.db2.gz ZSIARKQLXJZWHL-UHFFFAOYSA-N 0 0 509.529 2.363 50 0 KEAARN COc1ccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC000952962061 1066383992 /nfs/dbraw/zinc/38/39/92/1066383992.db2.gz XWDFPQUINSTGAI-UHFFFAOYSA-N 0 0 500.533 2.314 50 0 KEAARN COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(Cc3nc4c(s3)CCCC4)C[C@@H]1NC2=O ZINC000952968021 1066384454 /nfs/dbraw/zinc/38/44/54/1066384454.db2.gz FAAPEHKEDRRIDC-UGKGYDQZSA-N 0 0 510.620 2.214 50 0 KEAARN CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(Cc2ccccn2)CCNC1=O ZINC000952970369 1066383944 /nfs/dbraw/zinc/38/39/44/1066383944.db2.gz CPAQDXNCETYVKU-XMMPIXPASA-N 0 0 523.613 2.210 50 0 KEAARN Cc1ccc2c(c1)C(=O)NCc1cccc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCc1cn(nn1)CCO2 ZINC000952970402 1066383865 /nfs/dbraw/zinc/38/38/65/1066383865.db2.gz CSMUJCKZWNCAAK-HSZRJFAPSA-N 0 0 504.591 2.370 50 0 KEAARN Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1)CNC2=O ZINC000952970941 1066383727 /nfs/dbraw/zinc/38/37/27/1066383727.db2.gz MOKRSVHGYQCIDI-HSZRJFAPSA-N 0 0 504.591 2.370 50 0 KEAARN O=C1N[C@H]2CN(Cc3ccc(N4CCCC4=O)cc3)C[C@@H]2OCc2cn(nn2)CCCOc2cccc1c2 ZINC000952971918 1066384074 /nfs/dbraw/zinc/38/40/74/1066384074.db2.gz GUBZXEYPFBSNNI-UIOOFZCWSA-N 0 0 516.602 2.387 50 0 KEAARN O=C(c1cc2c(s1)CCCCC2)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 ZINC000952972914 1066384588 /nfs/dbraw/zinc/38/45/88/1066384588.db2.gz MJQJOCZGVHAJOU-ICSRJNTNSA-N 0 0 508.604 2.236 50 0 KEAARN C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(Cc2ccc(Sc3nncn3C)o2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C ZINC000952981133 1066384503 /nfs/dbraw/zinc/38/45/03/1066384503.db2.gz VALJBJXAQHNRNY-HDXYBINASA-N 0 0 711.849 2.274 50 0 KEAARN CC(=O)OC[C@H]1O[C@H]2O[C@@H](C)CCCCCCC=CCCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3COC(C)=O)O[C@@H]2[C@@H](O)[C@@H]1O ZINC001500999972 1066430630 /nfs/dbraw/zinc/43/06/30/1066430630.db2.gz OGTXYHUVJIPSDT-QWVZPBMZSA-N 0 0 688.808 2.349 50 0 KEAARN