smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC001164626948 719052131 /nfs/dbraw/zinc/05/21/31/719052131.db2.gz SJYVWJFCLPDACA-CVEARBPZSA-N 0 1 406.939 2.634 20 0 HFADMN COC(=O)c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1OC ZINC001164695256 719887805 /nfs/dbraw/zinc/88/78/05/719887805.db2.gz KCKOKLRCCAXLFS-UHFFFAOYSA-N 0 1 417.531 2.810 20 0 HFADMN COc1nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734456 720432968 /nfs/dbraw/zinc/43/29/68/720432968.db2.gz SFKNZKBPEWOWHZ-MOPGFXCFSA-N 0 1 409.538 2.509 20 0 HFADMN Cc1cc2ccccc2c(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1 ZINC001164831750 720462457 /nfs/dbraw/zinc/46/24/57/720462457.db2.gz PHQSILXTNGFJQR-HXUWFJFHSA-N 0 1 421.545 2.729 20 0 HFADMN CCCNC(=O)c1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164728327 720486616 /nfs/dbraw/zinc/48/66/16/720486616.db2.gz PEMZCQSWGRRSAO-IRXDYDNUSA-N 0 1 400.914 2.518 20 0 HFADMN CN1CCN(c2cccc(N3CCO[C@@]4(CCC[C@H]4COc4ccccn4)C3)n2)CC1 ZINC001164735819 720539699 /nfs/dbraw/zinc/53/96/99/720539699.db2.gz RUPHJUYAPSJHCI-RDPSFJRHSA-N 0 1 423.561 2.683 20 0 HFADMN COc1nnc(Cl)cc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164739085 720596789 /nfs/dbraw/zinc/59/67/89/720596789.db2.gz DWYQXRVFXFPETI-UHFFFAOYSA-N 0 1 412.872 2.539 20 0 HFADMN Clc1cc(Cc2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743492 720738549 /nfs/dbraw/zinc/73/85/49/720738549.db2.gz QMQGGYAPOSSDTC-OALUTQOASA-N 0 1 422.920 2.853 20 0 HFADMN Cc1c(Cl)nc(C(C)(C)C)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744078 720758478 /nfs/dbraw/zinc/75/84/78/720758478.db2.gz RDSNKIVVDWITIX-GJZGRUSLSA-N 0 1 402.930 2.868 20 0 HFADMN Clc1nc(Cl)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C2CC2)n1 ZINC001164746632 720803728 /nfs/dbraw/zinc/80/37/28/720803728.db2.gz MCXCKNPPTUQEGB-QWHCGFSZSA-N 0 1 407.305 2.793 20 0 HFADMN CCOC(=O)c1cnc(Cl)nc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164855010 720923240 /nfs/dbraw/zinc/92/32/40/720923240.db2.gz HCSJHZNTBUNADL-CYBMUJFWSA-N 0 1 406.918 2.925 20 0 HFADMN CN1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760805 721029286 /nfs/dbraw/zinc/02/92/86/721029286.db2.gz DIJAPCZIGLMZEZ-ZJSXRUAMSA-N 0 1 423.561 2.573 20 0 HFADMN CN1CCN(c2cccc(N3CCC[C@]4(C[C@H](OCc5ccccn5)CO4)C3)n2)CC1 ZINC001164760803 721029603 /nfs/dbraw/zinc/02/96/03/721029603.db2.gz DIJAPCZIGLMZEZ-URXFXBBRSA-N 0 1 423.561 2.573 20 0 HFADMN Cc1cc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(Cl)n1 ZINC001164871411 721072181 /nfs/dbraw/zinc/07/21/81/721072181.db2.gz YQDXSPJGZGJMKL-HOTGVXAUSA-N 0 1 409.868 2.858 20 0 HFADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2)cn1 ZINC001164765651 721108778 /nfs/dbraw/zinc/10/87/78/721108778.db2.gz JYNIDVQMRGTITF-MSOLQXFVSA-N 0 1 409.925 2.884 20 0 HFADMN COc1cccc(Oc2cncc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164765082 721170643 /nfs/dbraw/zinc/17/06/43/721170643.db2.gz HRIWUMAQJDNHTM-MOPGFXCFSA-N 0 1 420.517 2.969 20 0 HFADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C[C@@H]3C2)cn1 ZINC001164766013 721177978 /nfs/dbraw/zinc/17/79/78/721177978.db2.gz IUKGPASBKWWIQU-STQMWFEESA-N 0 1 414.913 2.655 20 0 HFADMN CC1CCN(C(=O)c2cccnc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001164762017 721197936 /nfs/dbraw/zinc/19/79/36/721197936.db2.gz BWGUPPDVXOLJRH-SFTDATJTSA-N 0 1 422.577 2.646 20 0 HFADMN Cc1nc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c(Cl)cc1Cl ZINC001164875555 721281640 /nfs/dbraw/zinc/28/16/40/721281640.db2.gz XAPYQTZXVQEZDH-UHFFFAOYSA-N 0 1 415.365 2.704 20 0 HFADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4ncccc43)C2)C1 ZINC001164777632 721338681 /nfs/dbraw/zinc/33/86/81/721338681.db2.gz OWBMMSXBOZFVLB-JOCHJYFZSA-N 0 1 408.506 2.749 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892842 721397414 /nfs/dbraw/zinc/39/74/14/721397414.db2.gz TXRUSRMRYXABTR-VGOFRKELSA-N 0 1 404.986 2.989 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5c4CCC5)C3)O2)CC1 ZINC001164892843 721397694 /nfs/dbraw/zinc/39/76/94/721397694.db2.gz TXRUSRMRYXABTR-VGSWGCGISA-N 0 1 404.986 2.989 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN([C@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886301 721398342 /nfs/dbraw/zinc/39/83/42/721398342.db2.gz DZKCLVAJQNWCGL-IHPCNDPISA-N 0 1 412.937 2.628 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886327 721398989 /nfs/dbraw/zinc/39/89/89/721398989.db2.gz FGTQHXVPARTDOM-FOIQADDNSA-N 0 1 424.014 2.642 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5ncsc54)C3)O2)CC1 ZINC001164886556 721413766 /nfs/dbraw/zinc/41/37/66/721413766.db2.gz JXJOEVZWTHZOTG-IFXJQAMLSA-N 0 1 422.986 2.505 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5cccs5)nn4)C3)O2)CC1 ZINC001164887715 721421435 /nfs/dbraw/zinc/42/14/35/721421435.db2.gz MNXFANAGUFPIFL-GCJKJVERSA-N 0 1 413.591 2.971 20 0 HFADMN Cc1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nn2)o1 ZINC001164889582 721441208 /nfs/dbraw/zinc/44/12/08/721441208.db2.gz BXAGXWVODVBQMA-WMZHIEFXSA-N 0 1 411.550 2.810 20 0 HFADMN CSc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc(SC)n1 ZINC001164892033 721450792 /nfs/dbraw/zinc/45/07/92/721450792.db2.gz VWCCHPFGYFLEDH-UZLBHIALSA-N 0 1 423.652 2.686 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5c(nc4Cl)CCCC5)C3)O2)CC1 ZINC001164888400 721452015 /nfs/dbraw/zinc/45/20/15/721452015.db2.gz LXXDCOZGYVPQRB-JTSKRJEESA-N 0 1 420.001 2.774 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)C3)O2)CC1 ZINC001164892803 721453606 /nfs/dbraw/zinc/45/36/06/721453606.db2.gz YHTWZURRMXIGDG-DVECYGJZSA-N 0 1 424.593 2.991 20 0 HFADMN Cc1nc2c3ccccc3oc2c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164798471 721515635 /nfs/dbraw/zinc/51/56/35/721515635.db2.gz UWQGQIZUHKCYTE-UHFFFAOYSA-N 0 1 417.517 2.649 20 0 HFADMN Cc1cnc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)nc1-c1ccccc1F ZINC001164795423 721521858 /nfs/dbraw/zinc/52/18/58/721521858.db2.gz PAZCQTGXTSEIRM-UHFFFAOYSA-N 0 1 421.524 2.555 20 0 HFADMN CCOC(=O)/C=C\c1cccnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810700 721529956 /nfs/dbraw/zinc/52/99/56/721529956.db2.gz YBIXTFJXIDMEJS-VKHYXYIFSA-N 0 1 422.529 2.921 20 0 HFADMN COC(=O)/C=C\c1cc(C)cnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800286 721570449 /nfs/dbraw/zinc/57/04/49/721570449.db2.gz DMTQNVHCVYVHCB-XXSSAVDBSA-N 0 1 422.529 2.839 20 0 HFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(C(N)=O)cc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164807643 721582065 /nfs/dbraw/zinc/58/20/65/721582065.db2.gz PBHQSNZHGYZQGL-YPAWHYETSA-N 0 1 417.513 2.597 20 0 HFADMN CCOC(=O)c1cncnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164902207 721583766 /nfs/dbraw/zinc/58/37/66/721583766.db2.gz CWMSKHDKEUVYQC-HXUWFJFHSA-N 0 1 417.460 2.786 20 0 HFADMN COc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1OC ZINC001164904287 721702328 /nfs/dbraw/zinc/70/23/28/721702328.db2.gz BIKMFUMYQHWJRN-IBGZPJMESA-N 0 1 405.449 2.627 20 0 HFADMN C[C@H]1C(=O)Nc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c21 ZINC001164905686 721710335 /nfs/dbraw/zinc/71/03/35/721710335.db2.gz IJXWJGHLAAVYNG-VLIAUNLRSA-N 0 1 414.460 2.665 20 0 HFADMN CSc1nc2sccc2c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1 ZINC001165007606 721730958 /nfs/dbraw/zinc/73/09/58/721730958.db2.gz FFMMQUMSTYLKQD-UHFFFAOYSA-N 0 1 405.593 2.936 20 0 HFADMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(Cl)nc(-c3ccccc3)n2)CC1 ZINC001165011646 721735166 /nfs/dbraw/zinc/73/51/66/721735166.db2.gz UIDGFSNNEAYUOC-UHFFFAOYSA-N 0 1 414.941 2.715 20 0 HFADMN COc1cccc2c1nc(Cl)nc2N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165011957 721737456 /nfs/dbraw/zinc/73/74/56/721737456.db2.gz ZCYAQWHEIVMEQO-UHFFFAOYSA-N 0 1 417.941 2.815 20 0 HFADMN CCOC(=O)c1cnc(Cl)c(C)c1N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001165011533 721739570 /nfs/dbraw/zinc/73/95/70/721739570.db2.gz QAADMHPQRUTYCR-UHFFFAOYSA-N 0 1 422.957 2.743 20 0 HFADMN CC(C)(c1ccnc(Cl)c1)N1CCC[C@]2(CO[C@@H](C(=O)N3CCOCC3)C2)C1 ZINC001165016491 721778558 /nfs/dbraw/zinc/77/85/58/721778558.db2.gz CYFUICSVEJFDGG-DYESRHJHSA-N 0 1 407.942 2.700 20 0 HFADMN CCOC(=O)c1cnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)cn1 ZINC001165020295 721840825 /nfs/dbraw/zinc/84/08/25/721840825.db2.gz HLKDRYTWLDTUPN-UHFFFAOYSA-N 0 1 414.506 2.771 20 0 HFADMN COCc1nc(OC)cc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031272 721845191 /nfs/dbraw/zinc/84/51/91/721845191.db2.gz ZYPWGSIHGUICEW-UHFFFAOYSA-N 0 1 416.522 2.750 20 0 HFADMN Clc1nc2cccnc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975815 722116906 /nfs/dbraw/zinc/11/69/06/722116906.db2.gz LBRAGVJMQYCOKJ-SJLPKXTDSA-N 0 1 410.909 2.801 20 0 HFADMN CN(C)S(=O)(=O)c1ccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164995366 722207777 /nfs/dbraw/zinc/20/77/77/722207777.db2.gz MOWVOTPTQREVGY-OAQYLSRUSA-N 0 1 418.538 2.716 20 0 HFADMN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc3[nH]cnc3cc1Cl)C2 ZINC001165006968 722265946 /nfs/dbraw/zinc/26/59/46/722265946.db2.gz PJZIVLVDUPKAAR-HXUWFJFHSA-N 0 1 414.872 2.678 20 0 HFADMN Cc1nc(C[NH+]2CCC(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)oc1C ZINC000780573290 939135921 /nfs/dbraw/zinc/13/59/21/939135921.db2.gz MGLMSLRNBBDVHU-IBGZPJMESA-N 0 1 400.479 2.629 20 0 HFADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](C(=O)[O-])C3CCCCC3)C2)cc(OC)c1 ZINC000780648645 939142779 /nfs/dbraw/zinc/14/27/79/939142779.db2.gz BKDUDKJWZBGYJH-XLIONFOSSA-N 0 1 419.522 2.611 20 0 HFADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@H](C(=O)[O-])C3CCCCC3)C2)cc(OC)c1 ZINC000780648645 939142780 /nfs/dbraw/zinc/14/27/80/939142780.db2.gz BKDUDKJWZBGYJH-XLIONFOSSA-N 0 1 419.522 2.611 20 0 HFADMN C[C@@](NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)(C(=O)[O-])C1CC1 ZINC000780672742 939145026 /nfs/dbraw/zinc/14/50/26/939145026.db2.gz JBPWBTDDXUJUES-IBGZPJMESA-N 0 1 424.339 2.966 20 0 HFADMN O=C([O-])[C@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372758 939822643 /nfs/dbraw/zinc/82/26/43/939822643.db2.gz TWXGGVDFYUCCCS-QHCPKHFHSA-N 0 1 405.454 2.790 20 0 HFADMN CC(C)N1C(=O)c2ccc(-c3nc(-c4ccn5cncc5c4)no3)cc2S1(=O)=O ZINC000790512021 1078048311 /nfs/dbraw/zinc/04/83/11/1078048311.db2.gz HTVYAZWQBQCJCR-UHFFFAOYSA-N 0 1 409.427 2.604 20 0 HFADMN O=C(NCc1n[nH]c(-c2ccccc2)n1)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000793044460 1078054713 /nfs/dbraw/zinc/05/47/13/1078054713.db2.gz RLDXRVILWMGSNA-AWEZNQCLSA-N 0 1 421.379 2.903 20 0 HFADMN O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000793044460 1078054715 /nfs/dbraw/zinc/05/47/15/1078054715.db2.gz RLDXRVILWMGSNA-AWEZNQCLSA-N 0 1 421.379 2.903 20 0 HFADMN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1cc(F)ccc1F ZINC000747100495 1078066224 /nfs/dbraw/zinc/06/62/24/1078066224.db2.gz ISQSVOXFTIFGCM-AWEZNQCLSA-N 0 1 403.882 2.815 20 0 HFADMN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000772759053 1078070045 /nfs/dbraw/zinc/07/00/45/1078070045.db2.gz WIOJAYWVCNFWLX-ZDUSSCGKSA-N 0 1 408.424 2.729 20 0 HFADMN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cnc(N4CCCC4)nc3)cc2)C1=O ZINC000790612128 1078075605 /nfs/dbraw/zinc/07/56/05/1078075605.db2.gz VQNYFBHCALDSMT-QHCPKHFHSA-N 0 1 420.517 2.592 20 0 HFADMN CN(C(=O)c1nc(Br)ccc1Br)[C@H]1CN2CCC1CC2 ZINC000790624918 1078080968 /nfs/dbraw/zinc/08/09/68/1078080968.db2.gz GMPOCUIAUSCUIM-NSHDSACASA-N 0 1 403.118 2.773 20 0 HFADMN C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000790665800 1078083671 /nfs/dbraw/zinc/08/36/71/1078083671.db2.gz NPQOWVSRBOFXDC-CQSZACIVSA-N 0 1 419.341 2.546 20 0 HFADMN O[C@H](c1ncc[nH]1)C1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000793181351 1078095509 /nfs/dbraw/zinc/09/55/09/1078095509.db2.gz CYMIRAMIYRAMKY-NRFANRHFSA-N 0 1 407.518 2.740 20 0 HFADMN NC(=O)c1cc(Oc2cccc(OC(=O)c3cccc(-c4nnc[nH]4)c3)c2)ccn1 ZINC000793185231 1078096421 /nfs/dbraw/zinc/09/64/21/1078096421.db2.gz VWCWDOMNTIRSSQ-UHFFFAOYSA-N 0 1 401.382 2.977 20 0 HFADMN COc1cc(C(=O)OCc2csc(Cl)n2)cc(NS(C)(=O)=O)c1OC ZINC000793240480 1078108364 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KETQPZWZMZYWNH-NRFANRHFSA-N 0 1 416.566 2.565 20 0 HFADMN Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785681 1079252137 /nfs/dbraw/zinc/25/21/37/1079252137.db2.gz LMVHIJPBEMWPKO-CUSZFKRNSA-N 0 1 402.457 2.821 20 0 HFADMN Cc1cc(C)cc(OC[C@H](O)CN2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000805785681 1079252142 /nfs/dbraw/zinc/25/21/42/1079252142.db2.gz LMVHIJPBEMWPKO-CUSZFKRNSA-N 0 1 402.457 2.821 20 0 HFADMN C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787920 1079255658 /nfs/dbraw/zinc/25/56/58/1079255658.db2.gz CNBXIDNKENKNMR-MMPTUQATSA-N 0 1 404.408 2.514 20 0 HFADMN CCOC(=O)N1CCC(NC(=O)CN(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793412 1079258296 /nfs/dbraw/zinc/25/82/96/1079258296.db2.gz YSUBZTKGJFNZLP-VQTJNVASSA-N 0 1 417.550 2.901 20 0 HFADMN COc1ccc([C@H](CC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)NC(C)=O)cc1 ZINC000021487868 1079274373 /nfs/dbraw/zinc/27/43/73/1079274373.db2.gz FJRXRFDLCPYQLU-QFIPXVFZSA-N 0 1 424.545 2.961 20 0 HFADMN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000805765668 1079266124 /nfs/dbraw/zinc/26/61/24/1079266124.db2.gz OBYXJONASRLXGY-GBESFXJTSA-N 0 1 409.571 2.926 20 0 HFADMN COC(=O)Nc1ccc(CNC(=O)CN[C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805822704 1079292852 /nfs/dbraw/zinc/29/28/52/1079292852.db2.gz VZCIURBLNOCVME-SFHVURJKSA-N 0 1 405.882 2.848 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N(Cc2cccc(Br)c2)CC2CC2)n[nH]1 ZINC000805848260 1079301425 /nfs/dbraw/zinc/30/14/25/1079301425.db2.gz LGHWAWRWMKDTFT-UHFFFAOYSA-N 0 1 419.323 2.790 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)n[nH]1 ZINC000805852164 1079302613 /nfs/dbraw/zinc/30/26/13/1079302613.db2.gz VYXRZUSEAORTIF-UHFFFAOYSA-N 0 1 403.486 2.842 20 0 HFADMN Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000805890159 1079323196 /nfs/dbraw/zinc/32/31/96/1079323196.db2.gz BTURNVKJVXVVOC-IYBDPMFKSA-N 0 1 420.506 2.862 20 0 HFADMN Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000805890159 1079323204 /nfs/dbraw/zinc/32/32/04/1079323204.db2.gz BTURNVKJVXVVOC-IYBDPMFKSA-N 0 1 420.506 2.862 20 0 HFADMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)[N-]S(=O)(=O)Cc1cccnc1 ZINC000805916655 1079331160 /nfs/dbraw/zinc/33/11/60/1079331160.db2.gz YXKFSLNGMYULIB-QGZVFWFLSA-N 0 1 417.531 2.595 20 0 HFADMN COCCN1CCN(C(=O)CCCCCNC(=O)NC2CCCCC2)C(C)(C)C1 ZINC001130420822 1079340161 /nfs/dbraw/zinc/34/01/61/1079340161.db2.gz IJULNQPPADLHIP-UHFFFAOYSA-N 0 1 410.603 2.748 20 0 HFADMN C[C@H](OCC(=O)OC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1)c1nccn1C ZINC000805923763 1079353603 /nfs/dbraw/zinc/35/36/03/1079353603.db2.gz PRFNAIFXYHMPGS-PKOBYXMFSA-N 0 1 401.507 2.721 20 0 HFADMN C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001130458276 1079381624 /nfs/dbraw/zinc/38/16/24/1079381624.db2.gz KBRKYVWBKXSASK-VAMGGRTRSA-N 0 1 421.607 2.702 20 0 HFADMN O=C(NCc1ncccn1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000772700068 1076746093 /nfs/dbraw/zinc/74/60/93/1076746093.db2.gz OKWFEZSMJLLSCE-UHFFFAOYSA-N 0 1 420.853 3.000 20 0 HFADMN O=C(NCc1n[nH]c(COc2ccccc2)n1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787316305 1076760253 /nfs/dbraw/zinc/76/02/53/1076760253.db2.gz GNKCYAOHYVFXDA-MRXNPFEDSA-N 0 1 419.844 2.709 20 0 HFADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CC[C@@H](Cc4cnn(C)c4)C3)cc2)C[C@H](C)O1 ZINC000746679117 1076795341 /nfs/dbraw/zinc/79/53/41/1076795341.db2.gz OAVCRJANBZCFNQ-OTWHNJEPSA-N 0 1 411.550 2.537 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCO[C@H](c4ccco4)C3)[nH]n2)C1 ZINC000787419278 1076799677 /nfs/dbraw/zinc/79/96/77/1076799677.db2.gz XODOCGQHEDGGBV-KDOFPFPSSA-N 0 1 416.478 2.941 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1cccc(Br)c1 ZINC000746681085 1076814068 /nfs/dbraw/zinc/81/40/68/1076814068.db2.gz JMJAJUAXUNGUPS-UHFFFAOYSA-N 0 1 404.289 2.764 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc(Br)s1 ZINC000746682690 1076816165 /nfs/dbraw/zinc/81/61/65/1076816165.db2.gz QQJUSTDLFVKANG-UHFFFAOYSA-N 0 1 410.318 2.826 20 0 HFADMN CC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccc2c(c1)OCCO2 ZINC000746685500 1076818169 /nfs/dbraw/zinc/81/81/69/1076818169.db2.gz CWCUDUBKEMOSTI-OAHLLOKOSA-N 0 1 411.483 2.724 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCCOc1ccc(C(F)(F)F)cc1 ZINC000746685405 1076818482 /nfs/dbraw/zinc/81/84/82/1076818482.db2.gz BHPKJNUJWYNMPV-UHFFFAOYSA-N 0 1 423.416 2.899 20 0 HFADMN COC(=O)CN(C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1)C1CCCC1 ZINC000787436883 1076823052 /nfs/dbraw/zinc/82/30/52/1076823052.db2.gz KUBHHPNEQRYWLQ-CQSZACIVSA-N 0 1 420.510 2.692 20 0 HFADMN Cc1ccccc1C1(CNC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CCOCC1 ZINC000746687075 1076823915 /nfs/dbraw/zinc/82/39/15/1076823915.db2.gz COWKAOFZMOFYRU-UHFFFAOYSA-N 0 1 423.538 2.858 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc(Br)cc1 ZINC000746686708 1076824611 /nfs/dbraw/zinc/82/46/11/1076824611.db2.gz SNFQWCHRICGLHO-UHFFFAOYSA-N 0 1 404.289 2.764 20 0 HFADMN CCc1cc(CNC(=O)C(=O)NCc2cccc(COCc3ccccc3)c2)n[nH]1 ZINC000787497118 1076825937 /nfs/dbraw/zinc/82/59/37/1076825937.db2.gz FTJPVHPISPUBSO-UHFFFAOYSA-N 0 1 406.486 2.622 20 0 HFADMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746686769 1076829591 /nfs/dbraw/zinc/82/95/91/1076829591.db2.gz UDMPMHWIFXZEJG-XHSDSOJGSA-N 0 1 400.548 2.549 20 0 HFADMN COC(=O)[C@@H]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)[C@H]1C ZINC000787508006 1076829708 /nfs/dbraw/zinc/82/97/08/1076829708.db2.gz QJVILHIFAUCCFF-LSDHHAIUSA-N 0 1 417.531 2.656 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)[nH]n2)C1 ZINC000787467218 1076833257 /nfs/dbraw/zinc/83/32/57/1076833257.db2.gz AGZIQIDGSSVQGS-OWCLPIDISA-N 0 1 404.511 2.633 20 0 HFADMN C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1cccc(N2CCCC2=O)c1 ZINC000746688052 1076836738 /nfs/dbraw/zinc/83/67/38/1076836738.db2.gz PHENPZQQNYZBEZ-AWEZNQCLSA-N 0 1 422.510 2.689 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@H]3c3ncc[nH]3)[nH]n2)C1 ZINC000787487327 1076844714 /nfs/dbraw/zinc/84/47/14/1076844714.db2.gz VXECONHLFCCHQV-BBRMVZONSA-N 0 1 400.483 2.835 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H]3c3ncc[nH]3)[nH]n2)C1 ZINC000787487343 1076844749 /nfs/dbraw/zinc/84/47/49/1076844749.db2.gz VXECONHLFCCHQV-XJKSGUPXSA-N 0 1 400.483 2.835 20 0 HFADMN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O)N1CCN2CCC1CC2 ZINC000787523380 1076847038 /nfs/dbraw/zinc/84/70/38/1076847038.db2.gz NOUFARYSIIFKSK-UHFFFAOYSA-N 0 1 424.501 2.734 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000746692397 1076847459 /nfs/dbraw/zinc/84/74/59/1076847459.db2.gz SYLKPLGAGSXKSC-CQSZACIVSA-N 0 1 424.309 2.842 20 0 HFADMN CCO[C@@H](C)c1nc(CN(C)C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cs1 ZINC000746692296 1076847706 /nfs/dbraw/zinc/84/77/06/1076847706.db2.gz RFHMZOQWRWSFRE-LBPRGKRZSA-N 0 1 418.544 2.898 20 0 HFADMN CCO[C@H](C)c1nc(CN(C)C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cs1 ZINC000746692293 1076847897 /nfs/dbraw/zinc/84/78/97/1076847897.db2.gz RFHMZOQWRWSFRE-GFCCVEGCSA-N 0 1 418.544 2.898 20 0 HFADMN Cc1ccc(N2CCC[C@@H](NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)C2)cc1 ZINC000746691834 1076852612 /nfs/dbraw/zinc/85/26/12/1076852612.db2.gz LTAVQQNHTJNHLV-MRXNPFEDSA-N 0 1 408.527 2.779 20 0 HFADMN CCC[C@@]1(CO)CCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787583284 1076872618 /nfs/dbraw/zinc/87/26/18/1076872618.db2.gz ZNBPYBINIVUYSD-BTYIYWSLSA-N 0 1 406.527 2.901 20 0 HFADMN CN(Cc1nc(C(F)(F)F)cs1)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746693570 1076872667 /nfs/dbraw/zinc/87/26/67/1076872667.db2.gz DDQXLOHFMKCEKN-UHFFFAOYSA-N 0 1 414.434 2.819 20 0 HFADMN CCCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3[C@@H]4CCC[C@@H]43)cc2Cl)CC1 ZINC000787621557 1076881870 /nfs/dbraw/zinc/88/18/70/1076881870.db2.gz HUKPDWITBVJRHA-MNZLEMJZSA-N 0 1 404.942 2.725 20 0 HFADMN CN1CCN(c2ccc(NC(=O)CCCCc3cn[nH]n3)cc2Br)CC1 ZINC000787676528 1076891013 /nfs/dbraw/zinc/89/10/13/1076891013.db2.gz WSYZBNGKMOYVBD-UHFFFAOYSA-N 0 1 421.343 2.671 20 0 HFADMN Cc1nc2c(s1)[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)CCC2 ZINC000787642399 1076893316 /nfs/dbraw/zinc/89/33/16/1076893316.db2.gz WOERHEIMJSTTRL-SJORKVTESA-N 0 1 404.511 2.503 20 0 HFADMN Cc1cccc(CN2CCN([C@H]3CN(C(=O)OC(C)(C)C)CC[C@@]3(C)O)CC2)c1 ZINC000787688975 1076912535 /nfs/dbraw/zinc/91/25/35/1076912535.db2.gz QIWZGZICMFFWQV-NZQKXSOJSA-N 0 1 403.567 2.873 20 0 HFADMN NC(=O)N1CCCc2ccc(NC(=O)CCn3c(=O)c4ccccc4[nH]c3=S)cc21 ZINC000787708496 1076920435 /nfs/dbraw/zinc/92/04/35/1076920435.db2.gz JGWGBDAGYAZNEP-UHFFFAOYSA-N 0 1 423.498 2.545 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC000787710558 1076922227 /nfs/dbraw/zinc/92/22/27/1076922227.db2.gz LWOXMIFQLIVFJD-DYESRHJHSA-N 0 1 423.579 2.656 20 0 HFADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000787752530 1076926866 /nfs/dbraw/zinc/92/68/66/1076926866.db2.gz VPBFAUWFIYKNMY-PKTZIBPZSA-N 0 1 423.557 2.830 20 0 HFADMN 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CCCNS(=O)(=O)c1ccc(NC(=O)N2CC(N(C)Cc3ccccc3)C2)cc1 ZINC000806309351 1079563614 /nfs/dbraw/zinc/56/36/14/1079563614.db2.gz ROQQIILTUQKSSK-UHFFFAOYSA-N 0 1 416.547 2.723 20 0 HFADMN O=C([N-]OC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806312005 1079565404 /nfs/dbraw/zinc/56/54/04/1079565404.db2.gz PZZQEZBBUPMRQI-MRXNPFEDSA-N 0 1 413.440 2.776 20 0 HFADMN O=C([N-]OC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806312005 1079565413 /nfs/dbraw/zinc/56/54/13/1079565413.db2.gz PZZQEZBBUPMRQI-MRXNPFEDSA-N 0 1 413.440 2.776 20 0 HFADMN CC(C)n1cc2c(n1)[C@H](NC(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)CCC2 ZINC000806296460 1079585250 /nfs/dbraw/zinc/58/52/50/1079585250.db2.gz AJAXSDMGXDCIPE-SBHAEUEKSA-N 0 1 409.534 2.519 20 0 HFADMN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccnc2ccncc21 ZINC000806325260 1079596399 /nfs/dbraw/zinc/59/63/99/1079596399.db2.gz WIWSBZUJOAMURN-UHFFFAOYSA-N 0 1 423.432 2.770 20 0 HFADMN 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HFADMN CN(CCCN(C)C(=O)C(=O)Nc1ccnn1C1CCCCC1)Cc1ccco1 ZINC000807413459 1080612489 /nfs/dbraw/zinc/61/24/89/1080612489.db2.gz OYTASCKTDKJLGU-UHFFFAOYSA-N 0 1 401.511 2.900 20 0 HFADMN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CSc2n[nH]c(=S)s2)o1 ZINC000747400206 1080634233 /nfs/dbraw/zinc/63/42/33/1080634233.db2.gz XVEZIWRKYNXCGI-GFCCVEGCSA-N 0 1 405.530 2.937 20 0 HFADMN COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000807486762 1080670220 /nfs/dbraw/zinc/67/02/20/1080670220.db2.gz WGEQIPURMFJUCR-KRWDZBQOSA-N 0 1 421.856 2.623 20 0 HFADMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(=O)NCC[C@](C)(O)c1ccccc1 ZINC000807497460 1080691433 /nfs/dbraw/zinc/69/14/33/1080691433.db2.gz AXAXHDOUKGJLHQ-CPJSRVTESA-N 0 1 423.557 2.523 20 0 HFADMN C[C@@]1(C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC(c2ccccc2Cl)=NO1 ZINC000807484110 1080739284 /nfs/dbraw/zinc/73/92/84/1080739284.db2.gz GTHONUFGXLXNGH-IERDGZPVSA-N 0 1 405.926 2.794 20 0 HFADMN CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C ZINC000807544563 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HFPMLUXJIOBNTF-KRWDZBQOSA-N 0 1 405.470 2.841 20 0 HFADMN CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@H](C)N(C)C[C@@H]3C)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164635593 719226577 /nfs/dbraw/zinc/22/65/77/719226577.db2.gz JFUYCKDUQIDRFK-YHUYYLMFSA-N 0 1 422.524 2.755 20 0 HFADMN CN1CCO[C@H]2CN(c3nc(CN4CCCC4)nc4sc5c(c43)CCCC5)C[C@@H]21 ZINC001164673766 719443712 /nfs/dbraw/zinc/44/37/12/719443712.db2.gz UEJILIYTPFRYTG-IRXDYDNUSA-N 0 1 413.591 2.685 20 0 HFADMN CN1CCO[C@H]2CN(c3nc(-c4ccccn4)c(-c4ccccn4)nc3Cl)C[C@@H]21 ZINC001164665756 719484225 /nfs/dbraw/zinc/48/42/25/719484225.db2.gz BHADVBLSQYSDJZ-IRXDYDNUSA-N 0 1 408.893 2.773 20 0 HFADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)ncc2C(N)=O)CC3)cs1 ZINC001164690864 719806129 /nfs/dbraw/zinc/80/61/29/719806129.db2.gz BHIJQFDCOIYMHQ-UHFFFAOYSA-N 0 1 406.943 2.629 20 0 HFADMN Cc1nc(CN2CCCC23CCN(c2ncnc4c2NC(=O)CS4)CC3)cs1 ZINC001164698979 719816485 /nfs/dbraw/zinc/81/64/85/719816485.db2.gz GAYLUWRULQHWFK-UHFFFAOYSA-N 0 1 416.576 2.921 20 0 HFADMN C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c21 ZINC001164697087 719892853 /nfs/dbraw/zinc/89/28/53/719892853.db2.gz JMLQBDILSDMMOE-OAHLLOKOSA-N 0 1 413.547 2.855 20 0 HFADMN CCOc1ccnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)c1 ZINC001164824783 720368949 /nfs/dbraw/zinc/36/89/49/720368949.db2.gz KYOKFGWCBVQVTB-UHFFFAOYSA-N 0 1 415.563 2.558 20 0 HFADMN CCOC(=O)c1cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1C(=O)OCC ZINC001164725780 720485001 /nfs/dbraw/zinc/48/50/01/720485001.db2.gz KEEHIBQTOLUMHI-VQTJNVASSA-N 0 1 424.501 2.683 20 0 HFADMN NC(=S)c1cnc(N2CCc3ncc(CN4CCCC4)n3CC2)c2sccc21 ZINC001164745717 720595674 /nfs/dbraw/zinc/59/56/74/720595674.db2.gz VUPUKKHQSKJJEC-UHFFFAOYSA-N 0 1 412.588 2.786 20 0 HFADMN Clc1cc(Cc2ccccc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743491 720738864 /nfs/dbraw/zinc/73/88/64/720738864.db2.gz QMQGGYAPOSSDTC-MOPGFXCFSA-N 0 1 422.920 2.853 20 0 HFADMN Clc1nc(Cl)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C2CC2)n1 ZINC001164746630 720803577 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C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807177933 1080368756 /nfs/dbraw/zinc/36/87/56/1080368756.db2.gz FXPMMHXYEOCIDU-HIFRSBDPSA-N 0 1 403.527 2.891 20 0 HFADMN CC[C@H](C)N[C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C)c1ccco1 ZINC000807310396 1080503486 /nfs/dbraw/zinc/50/34/86/1080503486.db2.gz HQNKYVVZRHWIKB-GUYCJALGSA-N 0 1 416.478 2.950 20 0 HFADMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000807310688 1080504396 /nfs/dbraw/zinc/50/43/96/1080504396.db2.gz QBBHERSQDORRRL-BLLLJJGKSA-N 0 1 421.881 2.904 20 0 HFADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313076 1080506060 /nfs/dbraw/zinc/50/60/60/1080506060.db2.gz WGGVWDQVNDSYND-RHSMWYFYSA-N 0 1 416.478 2.666 20 0 HFADMN CCOC(=O)C1=C(Nc2cccn3c(=O)ccnc23)CCN(Cc2ccccc2)C1 ZINC001170522314 1080539863 /nfs/dbraw/zinc/53/98/63/1080539863.db2.gz IAUSDUNFRNKFNR-UHFFFAOYSA-N 0 1 404.470 2.830 20 0 HFADMN 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1080595541 /nfs/dbraw/zinc/59/55/41/1080595541.db2.gz RCQBLLPKUARWPT-GFCCVEGCSA-N 0 1 410.503 2.553 20 0 HFADMN Cc1nc([C@H](C)NC(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)n[nH]1 ZINC000807399478 1080595808 /nfs/dbraw/zinc/59/58/08/1080595808.db2.gz NLCSUDCSWGRFBL-NSHDSACASA-N 0 1 402.455 2.584 20 0 HFADMN C[C@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000807405079 1080599010 /nfs/dbraw/zinc/59/90/10/1080599010.db2.gz JKDXVOSHLRJHHS-YOEHRIQHSA-N 0 1 414.472 2.778 20 0 HFADMN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CSc2n[nH]c(=S)s2)o1 ZINC000747400207 1080634145 /nfs/dbraw/zinc/63/41/45/1080634145.db2.gz XVEZIWRKYNXCGI-LBPRGKRZSA-N 0 1 405.530 2.937 20 0 HFADMN Cc1ccc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)nc1Br ZINC000807486775 1080670246 /nfs/dbraw/zinc/67/02/46/1080670246.db2.gz WVCJVUVFJKSEMH-CQSZACIVSA-N 0 1 423.286 2.649 20 0 HFADMN C[C@H]1CCN(C(=O)C(=O)Nc2cccc(Cl)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807493938 1080685663 /nfs/dbraw/zinc/68/56/63/1080685663.db2.gz 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/nfs/dbraw/zinc/10/67/44/722106744.db2.gz NDXDCTYXARBFRJ-WMZOPIPTSA-N 0 1 410.909 2.801 20 0 HFADMN Clc1nc2cccnc2nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975810 722116235 /nfs/dbraw/zinc/11/62/35/722116235.db2.gz LBRAGVJMQYCOKJ-AEFFLSMTSA-N 0 1 410.909 2.801 20 0 HFADMN CSc1cnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982693 722136582 /nfs/dbraw/zinc/13/65/82/722136582.db2.gz SCYYXKXEXODUOE-JKSUJKDBSA-N 0 1 405.955 2.974 20 0 HFADMN Fc1cccc(-c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164978917 722145545 /nfs/dbraw/zinc/14/55/45/722145545.db2.gz KXLZWMIUPAATDG-TZIWHRDSSA-N 0 1 420.492 2.800 20 0 HFADMN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5[nH]cnc54)CC[C@H]32)cs1 ZINC001164992084 722174812 /nfs/dbraw/zinc/17/48/12/722174812.db2.gz ZWHJCIZZJXJKMS-KGLIPLIRSA-N 0 1 419.942 2.641 20 0 HFADMN O=C([O-])[C@@H](NC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000780438030 939121534 /nfs/dbraw/zinc/12/15/34/939121534.db2.gz HPJNJVMGJXNCBJ-QFIPXVFZSA-N 0 1 424.545 2.710 20 0 HFADMN Cc1noc(-c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC001263627495 939828053 /nfs/dbraw/zinc/82/80/53/939828053.db2.gz NKZFFVXGOZDHKK-QHCPKHFHSA-N 0 1 420.469 2.894 20 0 HFADMN O[C@H](CNCc1cnn(Cc2ccccc2)c1Cl)COc1ccc2c(c1)OCO2 ZINC000790531399 1078052417 /nfs/dbraw/zinc/05/24/17/1078052417.db2.gz OIPPJAPOTVTDGW-QGZVFWFLSA-N 0 1 415.877 2.843 20 0 HFADMN O=C(NCc1n[nH]c(-c2ccccc2)n1)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000793044461 1078054741 /nfs/dbraw/zinc/05/47/41/1078054741.db2.gz RLDXRVILWMGSNA-CQSZACIVSA-N 0 1 421.379 2.903 20 0 HFADMN O=C(NCc1nc(-c2ccccc2)n[nH]1)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000793044461 1078054746 /nfs/dbraw/zinc/05/47/46/1078054746.db2.gz RLDXRVILWMGSNA-CQSZACIVSA-N 0 1 421.379 2.903 20 0 HFADMN CC(C)(COc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000790604595 1078065682 /nfs/dbraw/zinc/06/56/82/1078065682.db2.gz SLFMKOSRYXLFAQ-ZDUSSCGKSA-N 0 1 400.266 2.512 20 0 HFADMN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ccnn2C2CCCCC2)cc1 ZINC000793108079 1078080734 /nfs/dbraw/zinc/08/07/34/1078080734.db2.gz FJANHDKVSGEOSG-LJQANCHMSA-N 0 1 413.522 2.755 20 0 HFADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NOCc2cccnc2)c1 ZINC000746938107 1078090308 /nfs/dbraw/zinc/09/03/08/1078090308.db2.gz ZPKGZQXKGWLBGO-UHFFFAOYSA-N 0 1 413.455 2.753 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1ccccc1OC(F)(F)F ZINC000790726942 1078116754 /nfs/dbraw/zinc/11/67/54/1078116754.db2.gz RDLDJBCWJBNGRC-UHFFFAOYSA-N 0 1 409.389 2.900 20 0 HFADMN CC(C)(C)OC(=O)N1CCO[C@@H](CCOC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000793277256 1078117447 /nfs/dbraw/zinc/11/74/47/1078117447.db2.gz BVJZRASTHYWTCK-INIZCTEOSA-N 0 1 402.451 2.655 20 0 HFADMN C[C@@H](CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C)N1CCN(C)CC1 ZINC000790737883 1078120367 /nfs/dbraw/zinc/12/03/67/1078120367.db2.gz NLFMUHJFXQRAOC-KRWDZBQOSA-N 0 1 404.555 2.718 20 0 HFADMN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000793347343 1078154991 /nfs/dbraw/zinc/15/49/91/1078154991.db2.gz XGRCLZSQSYLZNG-NSHDSACASA-N 0 1 404.891 2.672 20 0 HFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)OC)c(C)cc1F ZINC000793383210 1078162083 /nfs/dbraw/zinc/16/20/83/1078162083.db2.gz ZBTXTQQFGQQIEO-UHFFFAOYSA-N 0 1 411.407 2.517 20 0 HFADMN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N[C@@H]3CCCc4cn[nH]c43)cc2)C1=O ZINC000790890858 1078173169 /nfs/dbraw/zinc/17/31/69/1078173169.db2.gz BKYWDIDYDDKQOW-VGOFRKELSA-N 0 1 422.489 2.511 20 0 HFADMN CNC(=O)Oc1cccc(NS(=O)(=O)c2ccc(OC)cc2Br)c1 ZINC000793451826 1078175623 /nfs/dbraw/zinc/17/56/23/1078175623.db2.gz ITOUWRUZLHDQAX-UHFFFAOYSA-N 0 1 415.265 2.977 20 0 HFADMN CNC(=O)Oc1cccc(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000793452773 1078176078 /nfs/dbraw/zinc/17/60/78/1078176078.db2.gz KOXNWFWZDPRTCX-UHFFFAOYSA-N 0 1 415.265 2.977 20 0 HFADMN CC(C)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)n[nH]1 ZINC000793471396 1078184201 /nfs/dbraw/zinc/18/42/01/1078184201.db2.gz HOMYDLMQYSVBQA-MRXNPFEDSA-N 0 1 402.499 2.701 20 0 HFADMN COc1ccc(-c2cc(C(=O)N(C)C3CN(C(=O)OC(C)(C)C)C3)n[nH]2)cc1OC ZINC000793491710 1078200755 /nfs/dbraw/zinc/20/07/55/1078200755.db2.gz WAZIVIJMVJIMRI-UHFFFAOYSA-N 0 1 416.478 2.785 20 0 HFADMN COCC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793581676 1078214514 /nfs/dbraw/zinc/21/45/14/1078214514.db2.gz CZIFMJVAQYHGGT-UHFFFAOYSA-N 0 1 420.485 2.982 20 0 HFADMN COC(=O)c1ccc(CNCCN2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000793584096 1078214955 /nfs/dbraw/zinc/21/49/55/1078214955.db2.gz KZZWRVBXMRKCNV-UHFFFAOYSA-N 0 1 417.259 2.622 20 0 HFADMN COC(=O)c1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)c(Br)c1 ZINC000793587786 1078215986 /nfs/dbraw/zinc/21/59/86/1078215986.db2.gz UJTCLNGMSSPIJE-SJLPKXTDSA-N 0 1 408.292 2.810 20 0 HFADMN CCC[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCN1CCOC ZINC000793754252 1078277884 /nfs/dbraw/zinc/27/78/84/1078277884.db2.gz SMWWZWRAQUMGGT-GBESFXJTSA-N 0 1 411.587 2.981 20 0 HFADMN CCN1C[C@H](C)N(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C[C@@H]1C ZINC000793754923 1078278762 /nfs/dbraw/zinc/27/87/62/1078278762.db2.gz JAMKSICUBPVOKE-XAMWDVODSA-N 0 1 410.518 2.519 20 0 HFADMN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000793777703 1078309356 /nfs/dbraw/zinc/30/93/56/1078309356.db2.gz FOWTWZVIRWLSDI-FQEVSTJZSA-N 0 1 409.530 2.613 20 0 HFADMN CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149007 1078318387 /nfs/dbraw/zinc/31/83/87/1078318387.db2.gz FBVMRUFDRLMZBZ-NVXWUHKLSA-N 0 1 413.440 2.586 20 0 HFADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1=O ZINC000747149007 1078318389 /nfs/dbraw/zinc/31/83/89/1078318389.db2.gz FBVMRUFDRLMZBZ-NVXWUHKLSA-N 0 1 413.440 2.586 20 0 HFADMN C[C@H](O)CN1CCN(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@H](C)C1 ZINC000793872291 1078329701 /nfs/dbraw/zinc/32/97/01/1078329701.db2.gz KIBNFIYQXVOEAM-WSTZPKSXSA-N 0 1 419.566 2.946 20 0 HFADMN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000793872911 1078329995 /nfs/dbraw/zinc/32/99/95/1078329995.db2.gz DPHKTYLMBSCXCJ-ZIAGYGMSSA-N 0 1 409.437 2.753 20 0 HFADMN COc1cc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cnc1Br ZINC000793877008 1078332640 /nfs/dbraw/zinc/33/26/40/1078332640.db2.gz ZXHNHDNAZIITEM-CYBMUJFWSA-N 0 1 402.252 2.685 20 0 HFADMN CCOC(=O)C1C(CNc2cccc(OC(=O)NC)c2)=NC(=O)N[C@H]1c1ccccc1 ZINC000793901336 1078332790 /nfs/dbraw/zinc/33/27/90/1078332790.db2.gz OROXZLLJIWEOEW-IBGZPJMESA-N 0 1 424.457 2.688 20 0 HFADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000793932436 1078341686 /nfs/dbraw/zinc/34/16/86/1078341686.db2.gz UANZSGKKTGMLAK-OIBXWCBGSA-N 0 1 423.557 2.829 20 0 HFADMN CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000793945479 1078353966 /nfs/dbraw/zinc/35/39/66/1078353966.db2.gz DHECAKYGJSIZDY-PMACEKPBSA-N 0 1 407.599 2.526 20 0 HFADMN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cnc1C ZINC000794019724 1078361994 /nfs/dbraw/zinc/36/19/94/1078361994.db2.gz ZARNYYMIQBQIBY-UHFFFAOYSA-N 0 1 411.430 2.856 20 0 HFADMN O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCC[N@@H+]1CC=CCC1 ZINC000794120284 1078374447 /nfs/dbraw/zinc/37/44/47/1078374447.db2.gz ZDWWAPDFFMJYFP-UHFFFAOYSA-N 0 1 400.548 2.624 20 0 HFADMN CON(Cc1ccccc1Cl)C(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1 ZINC000794341351 1078420190 /nfs/dbraw/zinc/42/01/90/1078420190.db2.gz WOPGROUNMJCHBO-UHFFFAOYSA-N 0 1 415.763 2.570 20 0 HFADMN O=C(NC[C@@H]1CCCN1Cc1ccc(I)cc1)C(F)(F)F ZINC000794345670 1078421139 /nfs/dbraw/zinc/42/11/39/1078421139.db2.gz GZVIUDCQOZHXNI-LBPRGKRZSA-N 0 1 412.193 2.934 20 0 HFADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)Cc2ccc(-n3cnnc3)cc2)c1 ZINC001129438595 1078465023 /nfs/dbraw/zinc/46/50/23/1078465023.db2.gz ZMSLSAYDLIKSLF-UHFFFAOYSA-N 0 1 406.490 2.729 20 0 HFADMN Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447345 1078513823 /nfs/dbraw/zinc/51/38/23/1078513823.db2.gz CUJBMVRTIYLAIP-FQEVSTJZSA-N 0 1 423.561 2.646 20 0 HFADMN Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447345 1078513830 /nfs/dbraw/zinc/51/38/30/1078513830.db2.gz CUJBMVRTIYLAIP-FQEVSTJZSA-N 0 1 423.561 2.646 20 0 HFADMN CC(C)Cn1[nH]c(CC(=O)Nc2nn(CC(F)(F)F)cc2Br)cc1=O ZINC001129832625 1078543965 /nfs/dbraw/zinc/54/39/65/1078543965.db2.gz SVNACKSCRKAVOD-UHFFFAOYSA-N 0 1 424.221 2.535 20 0 HFADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)Cc2ccn(CC(F)(F)F)n2)c1 ZINC001129548568 1078539463 /nfs/dbraw/zinc/53/94/63/1078539463.db2.gz QPARHOJMBJBZNP-UHFFFAOYSA-N 0 1 411.428 2.907 20 0 HFADMN CO[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC001129564801 1078558263 /nfs/dbraw/zinc/55/82/63/1078558263.db2.gz ZRQIGJLIGYWYPC-CWKRKGSWSA-N 0 1 412.505 2.961 20 0 HFADMN Cc1ccccc1[C@H](O)C1CCN(C(=O)c2cccc(N3CCN(C)CC3)n2)CC1 ZINC000804519182 1078559305 /nfs/dbraw/zinc/55/93/05/1078559305.db2.gz OSILFTAKXZEZDQ-HSZRJFAPSA-N 0 1 408.546 2.728 20 0 HFADMN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC001170455025 1078570038 /nfs/dbraw/zinc/57/00/38/1078570038.db2.gz FZGPBYCULVOUMC-QFIPXVFZSA-N 0 1 423.557 2.713 20 0 HFADMN Cc1csc([C@](O)(CC(=O)N2CC(N(C)Cc3ccccc3)C2)C(F)(F)F)n1 ZINC000804532796 1078570111 /nfs/dbraw/zinc/57/01/11/1078570111.db2.gz KKMOTWHOKNVBOU-GOSISDBHSA-N 0 1 413.465 2.934 20 0 HFADMN CN(C)Cc1ccsc1C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804762579 1078613937 /nfs/dbraw/zinc/61/39/37/1078613937.db2.gz CYNITVFJNFNOLZ-QGZVFWFLSA-N 0 1 422.595 2.577 20 0 HFADMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)[nH]1 ZINC000804760462 1078609112 /nfs/dbraw/zinc/60/91/12/1078609112.db2.gz KYGUAFZHZMKFSY-MRXNPFEDSA-N 0 1 413.522 2.639 20 0 HFADMN O=C(NCc1ccc2cncn2c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001129670457 1078629588 /nfs/dbraw/zinc/62/95/88/1078629588.db2.gz XWODQGKWVSJYQP-QGZVFWFLSA-N 0 1 414.412 2.857 20 0 HFADMN CCN(C)c1ccccc1CNC(=O)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000804828266 1078668269 /nfs/dbraw/zinc/66/82/69/1078668269.db2.gz LWDDVNBXKHXTAT-QFIPXVFZSA-N 0 1 422.573 2.882 20 0 HFADMN CCOc1ccc(CN2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000747202082 1078682825 /nfs/dbraw/zinc/68/28/25/1078682825.db2.gz WZGMTLLVODJJTI-UHFFFAOYSA-N 0 1 410.590 2.662 20 0 HFADMN O=C(NC1CC1)c1[nH]nnc1NC(=O)c1cc(F)c(OCc2ccccc2)c(F)c1 ZINC001129738534 1078686395 /nfs/dbraw/zinc/68/63/95/1078686395.db2.gz FOGJMLYNCVHGNQ-UHFFFAOYSA-N 0 1 413.384 2.806 20 0 HFADMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000804635493 1078716310 /nfs/dbraw/zinc/71/63/10/1078716310.db2.gz MHOUVDNRVAIQKC-KGLIPLIRSA-N 0 1 404.492 2.648 20 0 HFADMN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000804639203 1078725688 /nfs/dbraw/zinc/72/56/88/1078725688.db2.gz KNNPWFRZSHAUDX-IAGOWNOFSA-N 0 1 404.511 2.967 20 0 HFADMN C[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804903354 1078758457 /nfs/dbraw/zinc/75/84/57/1078758457.db2.gz KPTIAEWFGUEPIS-VIRABCJISA-N 0 1 420.501 2.838 20 0 HFADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804950438 1078778598 /nfs/dbraw/zinc/77/85/98/1078778598.db2.gz BBOOPGOCTWXJMQ-QEOTZNIISA-N 0 1 420.520 2.841 20 0 HFADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)C1 ZINC000804950438 1078778601 /nfs/dbraw/zinc/77/86/01/1078778601.db2.gz BBOOPGOCTWXJMQ-QEOTZNIISA-N 0 1 420.520 2.841 20 0 HFADMN COC(=O)c1sc(S(=O)(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c(C)c1Cl ZINC000805112645 1078897711 /nfs/dbraw/zinc/89/77/11/1078897711.db2.gz CHCJCFCAACEDCB-NEPJUHHUSA-N 0 1 406.957 2.744 20 0 HFADMN C[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000805081546 1078911702 /nfs/dbraw/zinc/91/17/02/1078911702.db2.gz BKQHMIZCGFXREM-AYVTZFPOSA-N 0 1 405.806 2.747 20 0 HFADMN COc1cccc(CN(CCN(C)C)S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000805077128 1078908618 /nfs/dbraw/zinc/90/86/18/1078908618.db2.gz LNGCWZLROXZTSL-UHFFFAOYSA-N 0 1 401.891 2.635 20 0 HFADMN CCOc1ccc(S(=O)(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1 ZINC000805125507 1078925334 /nfs/dbraw/zinc/92/53/34/1078925334.db2.gz GCKSRBPYVGIJMD-HUBLWGQQSA-N 0 1 408.442 2.551 20 0 HFADMN COCC(C)(C)N1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 ZINC001130117455 1078987460 /nfs/dbraw/zinc/98/74/60/1078987460.db2.gz LUIDOISMWDRPSL-UHFFFAOYSA-N 0 1 405.539 2.985 20 0 HFADMN CSc1ccc(OCCOC(=O)Cc2c(C)nc(-c3ncccn3)[nH]c2=O)cc1 ZINC000805439436 1079065686 /nfs/dbraw/zinc/06/56/86/1079065686.db2.gz YSUQCRFFLGPBRY-UHFFFAOYSA-N 0 1 412.471 2.834 20 0 HFADMN COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1 ZINC000747263269 1079227992 /nfs/dbraw/zinc/22/79/92/1079227992.db2.gz WKAVXDXMBJNFPE-JLHYYAGUSA-N 0 1 416.543 2.934 20 0 HFADMN CC(C)OC(=O)Cc1nc(CN2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cs1 ZINC000805786676 1079252606 /nfs/dbraw/zinc/25/26/06/1079252606.db2.gz YYIUXCUKFNHKMJ-MKBNYLNASA-N 0 1 421.485 2.915 20 0 HFADMN Cc1cc(=O)n2nc(CN3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)sc2n1 ZINC000805793843 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PTRPWRYDNNHIGJ-UTUOFQBUSA-N 0 1 402.276 2.853 20 0 HFADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806318937 1079590189 /nfs/dbraw/zinc/59/01/89/1079590189.db2.gz ACHYVCTVVPURAR-QGZVFWFLSA-N 0 1 424.423 2.721 20 0 HFADMN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000806359518 1079647749 /nfs/dbraw/zinc/64/77/49/1079647749.db2.gz BMQLSZHIMNPYDX-OTWHNJEPSA-N 0 1 412.575 2.576 20 0 HFADMN Cc1c(C(F)(F)F)nn(C)c1NC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000806422818 1079665951 /nfs/dbraw/zinc/66/59/51/1079665951.db2.gz FNPXEZDBYLACEK-UHFFFAOYSA-N 0 1 403.449 2.714 20 0 HFADMN O=C(N[C@H]1CCCc2cn[nH]c21)C(=O)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000806427947 1079673268 /nfs/dbraw/zinc/67/32/68/1079673268.db2.gz OSPPUDMLEMJIJD-OALUTQOASA-N 0 1 424.526 2.727 20 0 HFADMN C[C@H]1CCN(C(=O)Nc2cn(Cc3ccccc3)nn2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806440185 1079707438 /nfs/dbraw/zinc/70/74/38/1079707438.db2.gz YOPQHOPFYBGBLN-XEZPLFJOSA-N 0 1 424.427 2.636 20 0 HFADMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cnc(C4OCCO4)s3)cc2)C[C@H](C)O1 ZINC000806442057 1079710891 /nfs/dbraw/zinc/71/08/91/1079710891.db2.gz JFRPIZZTMWKHLM-GJZGRUSLSA-N 0 1 417.531 2.728 20 0 HFADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NCc1ccc(Cl)nc1 ZINC000806457922 1079730261 /nfs/dbraw/zinc/73/02/61/1079730261.db2.gz CQSOZROZEWIXET-UHFFFAOYSA-N 0 1 401.942 2.694 20 0 HFADMN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000806462656 1079735225 /nfs/dbraw/zinc/73/52/25/1079735225.db2.gz ICBJKMAFRFATKU-FQEVSTJZSA-N 0 1 417.554 2.698 20 0 HFADMN Cc1cc(COc2ccc(C(=O)N(C)CC3CN(C)C3)cc2Br)on1 ZINC001130651083 1079750042 /nfs/dbraw/zinc/75/00/42/1079750042.db2.gz HREHBOBABYUQKK-UHFFFAOYSA-N 0 1 408.296 2.958 20 0 HFADMN O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544876 1079783340 /nfs/dbraw/zinc/78/33/40/1079783340.db2.gz AHZWCIZZVNPKPM-ZWKOTPCHSA-N 0 1 412.444 2.563 20 0 HFADMN O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000806544876 1079783346 /nfs/dbraw/zinc/78/33/46/1079783346.db2.gz AHZWCIZZVNPKPM-ZWKOTPCHSA-N 0 1 412.444 2.563 20 0 HFADMN O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544876 1079783352 /nfs/dbraw/zinc/78/33/52/1079783352.db2.gz AHZWCIZZVNPKPM-ZWKOTPCHSA-N 0 1 412.444 2.563 20 0 HFADMN COC(=O)[C@]1(NC(=O)CCCn2nc(C)cc2C)CCCN(Cc2ccccc2)C1 ZINC001130661510 1079808524 /nfs/dbraw/zinc/80/85/24/1079808524.db2.gz ZWQZPPUCNWOUBE-QHCPKHFHSA-N 0 1 412.534 2.604 20 0 HFADMN Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc(C(=O)[O-])c1F ZINC000806567822 1079827356 /nfs/dbraw/zinc/82/73/56/1079827356.db2.gz LDTXKOSMCGXBKG-KSSFIOAISA-N 0 1 406.479 2.774 20 0 HFADMN COC(=O)c1cc(C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)ccc1C ZINC001130733344 1079972117 /nfs/dbraw/zinc/97/21/17/1079972117.db2.gz OTVJRJZMOSQVPI-FCHUYYIVSA-N 0 1 408.498 2.897 20 0 HFADMN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CSc1n[nH]c(=S)s1)CC3 ZINC000747354762 1080012098 /nfs/dbraw/zinc/01/20/98/1080012098.db2.gz IBGIJOSKUDWAGF-UHFFFAOYSA-N 0 1 420.541 2.772 20 0 HFADMN COc1ccccc1[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1nccn1C ZINC000747353790 1080029001 /nfs/dbraw/zinc/02/90/01/1080029001.db2.gz WOMMJKZAUVMFQO-ZDUSSCGKSA-N 0 1 407.546 2.567 20 0 HFADMN C[C@@H](NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000806888653 1080085041 /nfs/dbraw/zinc/08/50/41/1080085041.db2.gz KLFZOOGHEJKRTF-MELADBBJSA-N 0 1 407.902 2.548 20 0 HFADMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)Nc1cccc(C(C)(C)O)c1 ZINC000807006876 1080184266 /nfs/dbraw/zinc/18/42/66/1080184266.db2.gz WWPSGCHQNNAPOT-SFHVURJKSA-N 0 1 409.530 2.976 20 0 HFADMN COCC1(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)CCN(C(=O)OC(C)(C)C)CC1 ZINC000806986759 1080197726 /nfs/dbraw/zinc/19/77/26/1080197726.db2.gz LZZOLMPSOHCFNA-MRXNPFEDSA-N 0 1 421.542 2.750 20 0 HFADMN CC(C)(C)OC(=O)N1CCC(CNC(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000747375106 1080315723 /nfs/dbraw/zinc/31/57/23/1080315723.db2.gz MBRZIPGJXYPZJN-UHFFFAOYSA-N 0 1 404.583 2.682 20 0 HFADMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CCN2C2CC2)c1 ZINC000807205101 1080351733 /nfs/dbraw/zinc/35/17/33/1080351733.db2.gz AEYRYHVXQRWHSD-FUHWJXTLSA-N 0 1 414.893 2.550 20 0 HFADMN COc1ccc(C2=NO[C@H](CNC(=O)N3CCC(c4cn[nH]c4C)CC3)C2)cc1F ZINC000807213271 1080365329 /nfs/dbraw/zinc/36/53/29/1080365329.db2.gz DXCLJJQXESMPJR-INIZCTEOSA-N 0 1 415.469 2.948 20 0 HFADMN C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000807177931 1080368958 /nfs/dbraw/zinc/36/89/58/1080368958.db2.gz FXPMMHXYEOCIDU-DZGCQCFKSA-N 0 1 403.527 2.891 20 0 HFADMN CN1CCN(c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2Cl)CC1 ZINC000747378045 1080378909 /nfs/dbraw/zinc/37/89/09/1080378909.db2.gz XUDJRDHVFCTETH-UHFFFAOYSA-N 0 1 415.997 2.963 20 0 HFADMN O=C(c1ccccc1CSC1=NCCS1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000747382686 1080421945 /nfs/dbraw/zinc/42/19/45/1080421945.db2.gz BFYCFSJSMLRCDT-MSOLQXFVSA-N 0 1 405.589 2.694 20 0 HFADMN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)CSc1n[nH]c(=S)s1)C1CC1 ZINC000747386161 1080454754 /nfs/dbraw/zinc/45/47/54/1080454754.db2.gz JRWYMODZFPKTSU-OAHLLOKOSA-N 0 1 404.583 2.729 20 0 HFADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CSc1n[n-]c(=S)s1 ZINC000747387167 1080459875 /nfs/dbraw/zinc/45/98/75/1080459875.db2.gz YHAGZCUSALKBCR-AWEZNQCLSA-N 0 1 409.606 2.827 20 0 HFADMN Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000747389694 1080472622 /nfs/dbraw/zinc/47/26/22/1080472622.db2.gz MQNAFIAGEHBNTG-UHFFFAOYSA-N 0 1 411.506 2.692 20 0 HFADMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313078 1080506111 /nfs/dbraw/zinc/50/61/11/1080506111.db2.gz WGGVWDQVNDSYND-WMLDXEAASA-N 0 1 416.478 2.666 20 0 HFADMN CCOC(=O)C1=C(Nc2cc3c(cn2)C(=O)NCC3)CCN(Cc2ccccc2)C1 ZINC001170522769 1080560054 /nfs/dbraw/zinc/56/00/54/1080560054.db2.gz SXFBKLMCMQHAFD-UHFFFAOYSA-N 0 1 406.486 2.503 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)c(Cl)cc2OC)ccc1O ZINC000807384606 1080580464 /nfs/dbraw/zinc/58/04/64/1080580464.db2.gz NBWSODLZYSXVFZ-UHFFFAOYSA-N 0 1 405.259 2.868 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2cccc(OCc3cscn3)c2)ccc1O ZINC000807384505 1080580483 /nfs/dbraw/zinc/58/04/83/1080580483.db2.gz AHUNHSGDQALPDX-UHFFFAOYSA-N 0 1 419.484 2.588 20 0 HFADMN C[C@@H](NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000807405077 1080598958 /nfs/dbraw/zinc/59/89/58/1080598958.db2.gz JKDXVOSHLRJHHS-RHSMWYFYSA-N 0 1 414.472 2.778 20 0 HFADMN Cc1ccc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)c(Br)n1 ZINC000807487029 1080669360 /nfs/dbraw/zinc/66/93/60/1080669360.db2.gz ONBMSMAFTOGAOJ-OAHLLOKOSA-N 0 1 423.286 2.649 20 0 HFADMN CN(C)C[C@@H](NC(=O)C(=O)Nc1ccnn1C1CCCCC1)c1ccc(F)cc1 ZINC000807486691 1080669475 /nfs/dbraw/zinc/66/94/75/1080669475.db2.gz KLTWNKZQNSFCGT-GOSISDBHSA-N 0 1 401.486 2.885 20 0 HFADMN Cc1cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cnc1Br ZINC000807486831 1080672109 /nfs/dbraw/zinc/67/21/09/1080672109.db2.gz XNXPAGRVCIJHAB-HNNXBMFYSA-N 0 1 423.286 2.649 20 0 HFADMN CC(C)c1cnc(NC(=O)C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)s1 ZINC000807493910 1080685723 /nfs/dbraw/zinc/68/57/23/1080685723.db2.gz QFJDMJNEHIQXCI-NHCYSSNCSA-N 0 1 420.457 2.509 20 0 HFADMN CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)nc2)N(C)C)cc1 ZINC000807509551 1080715927 /nfs/dbraw/zinc/71/59/27/1080715927.db2.gz LESWHYSFERGBHT-KRWDZBQOSA-N 0 1 404.898 2.880 20 0 HFADMN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543698 1080760373 /nfs/dbraw/zinc/76/03/73/1080760373.db2.gz RGHQNAZGGRWRSO-UZLBHIALSA-N 0 1 424.501 2.973 20 0 HFADMN C[C@H]1CN(C(=O)CSc2n[nH]c(=S)s2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000747401642 1080760969 /nfs/dbraw/zinc/76/09/69/1080760969.db2.gz LKLAPPURRDSRLN-UWVGGRQHSA-N 0 1 404.583 2.681 20 0 HFADMN C[C@H]1[C@H](NC(=O)C(=O)Nc2cccnc2Br)CCN1Cc1ccccc1 ZINC000807544735 1080761568 /nfs/dbraw/zinc/76/15/68/1080761568.db2.gz ZSNXODSCCHEPAL-DZGCQCFKSA-N 0 1 417.307 2.562 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000747405658 1080797073 /nfs/dbraw/zinc/79/70/73/1080797073.db2.gz RMFVTXGTSPMCBM-UHFFFAOYSA-N 0 1 409.497 2.550 20 0 HFADMN Cc1cc(Cl)nc(CNC(=O)C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000807555614 1080807011 /nfs/dbraw/zinc/80/70/11/1080807011.db2.gz GKVZBFBUFZLRAZ-IBGZPJMESA-N 0 1 414.937 2.783 20 0 HFADMN Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000807558047 1080809794 /nfs/dbraw/zinc/80/97/94/1080809794.db2.gz QXXXZAFXENZZBJ-QGZVFWFLSA-N 0 1 414.937 2.783 20 0 HFADMN O=c1cc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)nc2sccn21 ZINC001473641452 1126198435 /nfs/dbraw/zinc/19/84/35/1126198435.db2.gz NZDFHFCTZBCEBN-GOSISDBHSA-N 0 1 420.332 2.528 20 0 HFADMN C[C@@H]1CN(c2cc3c(ncnc3Cl)n2S(=O)(=O)c2ccccc2)[C@@H](C)CN1C ZINC001164634854 719227957 /nfs/dbraw/zinc/22/79/57/719227957.db2.gz HTXKZJIPKJRZJC-KGLIPLIRSA-N 0 1 419.938 2.851 20 0 HFADMN CN1CCN(c2ccc(N3C[C@@H]4C[C@@H](c5nc(C6CC6)cs5)O[C@@H]4C3)nn2)CC1 ZINC001164646178 719287660 /nfs/dbraw/zinc/28/76/60/719287660.db2.gz NJJMDURBNIUWIF-RYQLBKOJSA-N 0 1 412.563 2.529 20 0 HFADMN NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694581 719889060 /nfs/dbraw/zinc/88/90/60/719889060.db2.gz AFDLETSUMSRPCR-UHFFFAOYSA-N 0 1 424.929 2.906 20 0 HFADMN CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)C1=O ZINC001164726384 720426869 /nfs/dbraw/zinc/42/68/69/720426869.db2.gz BVMFOASFKHLGRK-IRXDYDNUSA-N 0 1 412.925 2.742 20 0 HFADMN c1nc2n(c1CN1CCCC1)CCN(c1ncnc3c1ncn3-c1ccccc1)CC2 ZINC001164736088 720591819 /nfs/dbraw/zinc/59/18/19/720591819.db2.gz BDFXPPFJYVVLKX-UHFFFAOYSA-N 0 1 414.517 2.671 20 0 HFADMN c1ccc(CSc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164746080 720789634 /nfs/dbraw/zinc/78/96/34/720789634.db2.gz LSWBFLSYPFMKME-RBUKOAKNSA-N 0 1 420.542 2.901 20 0 HFADMN c1ccc(CSc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164746083 720790196 /nfs/dbraw/zinc/79/01/96/720790196.db2.gz LSWBFLSYPFMKME-RTBURBONSA-N 0 1 420.542 2.901 20 0 HFADMN c1ccc(CSc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746701 720798376 /nfs/dbraw/zinc/79/83/76/720798376.db2.gz MQJYXACDJXPHPZ-RTBURBONSA-N 0 1 420.542 2.901 20 0 HFADMN Cc1cccc(CN2CC[C@]3(CCN(c4cccc(N5CCN(C)CC5)n4)C3)C2=O)c1 ZINC001164848045 720808076 /nfs/dbraw/zinc/80/80/76/720808076.db2.gz BQAHRPWHZWPWGL-RUZDIDTESA-N 0 1 419.573 2.771 20 0 HFADMN Cc1cc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164871409 721072873 /nfs/dbraw/zinc/07/28/73/721072873.db2.gz YQDXSPJGZGJMKL-CVEARBPZSA-N 0 1 409.868 2.858 20 0 HFADMN Cn1cc(CN2CC[C@H]3CN(c4cc(NC(=O)OC(C)(C)C)ncn4)C[C@@H]3C2)cn1 ZINC001164762107 721091293 /nfs/dbraw/zinc/09/12/93/721091293.db2.gz CNDSYSFWCSRHSH-IRXDYDNUSA-N 0 1 413.526 2.515 20 0 HFADMN CCOC(=O)c1c(C)cc(Cl)nc1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769944 721107484 /nfs/dbraw/zinc/10/74/84/721107484.db2.gz QMJPJSQVVIODQU-DLBZAZTESA-N 0 1 417.941 2.912 20 0 HFADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@@H]3C2)cn1 ZINC001164769170 721122408 /nfs/dbraw/zinc/12/24/08/721122408.db2.gz PRFWRWWXQUXJST-HOTGVXAUSA-N 0 1 411.884 2.894 20 0 HFADMN Cn1cc(CN2CC[C@@H]3CN(c4cc(OCc5ccccc5)cnn4)C[C@H]3C2)cn1 ZINC001164772739 721152852 /nfs/dbraw/zinc/15/28/52/721152852.db2.gz VUWZKHWESJMAPM-NHCUHLMSSA-N 0 1 404.518 2.747 20 0 HFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3nc4ccccc4cc3Cl)CC2)C1 ZINC001164870282 721269368 /nfs/dbraw/zinc/26/93/68/721269368.db2.gz VDSXFNRVLBXATN-UHFFFAOYSA-N 0 1 416.953 2.895 20 0 HFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3ccc4ccc(Cl)cc4n3)CC2)C1 ZINC001164872945 721278978 /nfs/dbraw/zinc/27/89/78/721278978.db2.gz IXOKUQJKZAKDFJ-UHFFFAOYSA-N 0 1 416.953 2.895 20 0 HFADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nccc4c3ncn4C)C2)C1 ZINC001164776706 721339557 /nfs/dbraw/zinc/33/95/57/721339557.db2.gz HXSVHKNIWCFPFL-JOCHJYFZSA-N 0 1 410.522 2.692 20 0 HFADMN COc1nc(C)cc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164780013 721350274 /nfs/dbraw/zinc/35/02/74/721350274.db2.gz YHIKWCHNHWEWGC-NRFANRHFSA-N 0 1 401.511 2.517 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(-c5ccccc5)n4)C3)O2)CC1 ZINC001164885698 721390272 /nfs/dbraw/zinc/39/02/72/721390272.db2.gz DDJBPDAJFCEOKX-QPPBQGQZSA-N 0 1 407.562 2.909 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nnc(Cl)c5ccoc54)C3)O2)CC1 ZINC001164890519 721423377 /nfs/dbraw/zinc/42/33/77/721423377.db2.gz SYZGYTBWPBXIQJ-MGPUTAFESA-N 0 1 405.930 2.642 20 0 HFADMN Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2s1 ZINC001164889572 721428530 /nfs/dbraw/zinc/42/85/30/721428530.db2.gz BUILMXJXPHKTSK-DYESRHJHSA-N 0 1 401.580 2.765 20 0 HFADMN CSc1ncc(Cl)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164895782 721430790 /nfs/dbraw/zinc/43/07/90/721430790.db2.gz PLILZNPFQGAQJK-HNAYVOBHSA-N 0 1 412.003 2.617 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896692 721438306 /nfs/dbraw/zinc/43/83/06/721438306.db2.gz RTTUZHSMSMEGCJ-AVRDEDQJSA-N 0 1 413.591 2.971 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccsc5)nn4)C3)O2)CC1 ZINC001164898510 721444772 /nfs/dbraw/zinc/44/47/72/721444772.db2.gz WCYNYURJCZHSHQ-KNQAVFIVSA-N 0 1 413.591 2.971 20 0 HFADMN Cc1cc(C(F)(F)N2CCn3cc(CN4CCN(C)CC4)nc3C2)cc(Cl)n1 ZINC001164796589 721508999 /nfs/dbraw/zinc/50/89/99/721508999.db2.gz STBIEJWERCIVLB-UHFFFAOYSA-N 0 1 410.900 2.552 20 0 HFADMN O=c1cc2[nH]c(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164905190 721536671 /nfs/dbraw/zinc/53/66/71/721536671.db2.gz GJQWQAOVPVMOLS-UKRRQHHQSA-N 0 1 402.857 2.711 20 0 HFADMN Cc1noc(-c2ccnc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c2)n1 ZINC001164809552 721580686 /nfs/dbraw/zinc/58/06/86/721580686.db2.gz TVFTWCMSSCKVEQ-ZJOUEHCJSA-N 0 1 406.490 2.703 20 0 HFADMN CCOC(=O)c1cncnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164902206 721583351 /nfs/dbraw/zinc/58/33/51/721583351.db2.gz CWMSKHDKEUVYQC-FQEVSTJZSA-N 0 1 417.460 2.786 20 0 HFADMN C[C@@H]1CCCN(c2cc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)ncn2)C1 ZINC001164800176 721585015 /nfs/dbraw/zinc/58/50/15/721585015.db2.gz CILIGHKGDJQGPA-HBDUWURDSA-N 0 1 422.577 2.976 20 0 HFADMN Cc1cncc(COC[C@@]23CCC[C@H]2CN(c2ccc(N4CCN(C)CC4)nn2)C3)c1 ZINC001164800341 721600410 /nfs/dbraw/zinc/60/04/10/721600410.db2.gz LFPVSAJZAYHDBM-URXFXBBRSA-N 0 1 422.577 2.755 20 0 HFADMN COCCOc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164912768 721725392 /nfs/dbraw/zinc/72/53/92/721725392.db2.gz QABZPWURFZQPOT-FQEVSTJZSA-N 0 1 419.476 2.635 20 0 HFADMN NC(=O)c1ccnc(Cl)c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913086 721734128 /nfs/dbraw/zinc/73/41/28/721734128.db2.gz SJPFXDZOWFCKNR-IBGZPJMESA-N 0 1 421.879 2.967 20 0 HFADMN CCOC(=O)c1cc(Cl)nc(N2CCCC23CCN(CC(=O)N(C)C)CC3)c1C ZINC001165010602 721737858 /nfs/dbraw/zinc/73/78/58/721737858.db2.gz GKLOYKJTVFHOPR-UHFFFAOYSA-N 0 1 422.957 2.743 20 0 HFADMN CN(C)C(=O)CN1CCC2(CCCN2c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001165011282 721744491 /nfs/dbraw/zinc/74/44/91/721744491.db2.gz UHUKKKFALSGOJW-UHFFFAOYSA-N 0 1 417.554 2.952 20 0 HFADMN COc1ccccc1-c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nn1 ZINC001165009744 721745282 /nfs/dbraw/zinc/74/52/82/721745282.db2.gz IJDUVCRPKQGEAN-UHFFFAOYSA-N 0 1 409.534 2.675 20 0 HFADMN CN(Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(C)(=O)=O)C[C@H]21 ZINC001165021295 721807272 /nfs/dbraw/zinc/80/72/72/721807272.db2.gz GCSLBNSXEYPKFC-QXAKKESOSA-N 0 1 400.548 2.617 20 0 HFADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(NC(N)=S)cn2)CC1 ZINC001165029791 721844671 /nfs/dbraw/zinc/84/46/71/721844671.db2.gz DHTORHYBNUWNCJ-UHFFFAOYSA-N 0 1 415.563 2.855 20 0 HFADMN Clc1nc2c(Cl)ncnc2c(N2CCN(CCOc3ccccc3)CC2)n1 ZINC001165045529 721961273 /nfs/dbraw/zinc/96/12/73/721961273.db2.gz WXGRYEJECWZULU-UHFFFAOYSA-N 0 1 405.289 2.928 20 0 HFADMN COc1cnc(SC)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958057 722052662 /nfs/dbraw/zinc/05/26/62/722052662.db2.gz BEFJICVIBHIDGX-UHFFFAOYSA-N 0 1 415.563 2.721 20 0 HFADMN Clc1nc2cccnc2nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975818 722116809 /nfs/dbraw/zinc/11/68/09/722116809.db2.gz LBRAGVJMQYCOKJ-WMZOPIPTSA-N 0 1 410.909 2.801 20 0 HFADMN CN1CCN(c2ccc(N3C[C@@H]4[C@@H](OCC5CC5)c5ccccc5[C@H]4C3)nn2)CC1 ZINC001164979663 722170406 /nfs/dbraw/zinc/17/04/06/722170406.db2.gz VKDFPLGQNIAHQQ-DPLHUUCSSA-N 0 1 405.546 2.930 20 0 HFADMN C[C@@H]1C(=O)Nc2cnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2N1C ZINC001164995981 722200259 /nfs/dbraw/zinc/20/02/59/722200259.db2.gz RBCJPGPJCYDADY-IVZQSRNASA-N 0 1 410.497 2.637 20 0 HFADMN O=C([O-])[C@H](NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000780392245 939114155 /nfs/dbraw/zinc/11/41/55/939114155.db2.gz LKYYFMCYFFJJLG-OAQYLSRUSA-N 0 1 416.566 2.527 20 0 HFADMN CN1CC[N@@H+](CCCNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000780393518 939114882 /nfs/dbraw/zinc/11/48/82/939114882.db2.gz WUWVFPHZKTVVAD-RTWAWAEBSA-N 0 1 416.566 2.698 20 0 HFADMN C[N@@H+]1CCN(CCCNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000780393518 939114886 /nfs/dbraw/zinc/11/48/86/939114886.db2.gz WUWVFPHZKTVVAD-RTWAWAEBSA-N 0 1 416.566 2.698 20 0 HFADMN C[N@H+]1CCN(CCCNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000780393518 939114888 /nfs/dbraw/zinc/11/48/88/939114888.db2.gz WUWVFPHZKTVVAD-RTWAWAEBSA-N 0 1 416.566 2.698 20 0 HFADMN C[C@@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000780406098 939117186 /nfs/dbraw/zinc/11/71/86/939117186.db2.gz JGSYVIMZHIPDMG-FXAWDEMLSA-N 0 1 402.539 2.530 20 0 HFADMN CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000780664404 939144122 /nfs/dbraw/zinc/14/41/22/939144122.db2.gz QJTYDRCZVHTODG-NJYVYQBISA-N 0 1 411.502 2.791 20 0 HFADMN CC[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000780664404 939144125 /nfs/dbraw/zinc/14/41/25/939144125.db2.gz QJTYDRCZVHTODG-NJYVYQBISA-N 0 1 411.502 2.791 20 0 HFADMN O=C([O-])[C@@]1(NC(=O)c2cccc(-n3cccn3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263627783 939827958 /nfs/dbraw/zinc/82/79/58/939827958.db2.gz WRAKJGKBVHOZRQ-HSZRJFAPSA-N 0 1 404.470 2.722 20 0 HFADMN CC(=O)Nc1cc(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)ccc1C ZINC001263628302 939828539 /nfs/dbraw/zinc/82/85/39/939828539.db2.gz PJGOMMKDFVFNRA-HSZRJFAPSA-N 0 1 409.486 2.803 20 0 HFADMN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)n[nH]1 ZINC000793012927 1078048765 /nfs/dbraw/zinc/04/87/65/1078048765.db2.gz VSKDKCVTCVGWIB-LPHOPBHVSA-N 0 1 413.522 2.997 20 0 HFADMN CN1CCN(c2ccccc2NC(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000790595420 1078063595 /nfs/dbraw/zinc/06/35/95/1078063595.db2.gz UUPIRIBOHZNUQH-FQEVSTJZSA-N 0 1 410.518 2.750 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1CCC(OCc2ccccc2)CC1 ZINC000790598316 1078063755 /nfs/dbraw/zinc/06/37/55/1078063755.db2.gz SSAZNAOTCNNAPJ-UHFFFAOYSA-N 0 1 409.511 2.893 20 0 HFADMN C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)cn2)CCN1C(=O)OC(C)(C)C ZINC000793085837 1078064364 /nfs/dbraw/zinc/06/43/64/1078064364.db2.gz PKQKGZJODQLIJZ-IRXDYDNUSA-N 0 1 417.554 2.808 20 0 HFADMN COc1ccc([C@@H](CN(C)C)NC(=O)C(=O)Nc2ccc(Cl)cc2OC)cc1 ZINC000793110662 1078081932 /nfs/dbraw/zinc/08/19/32/1078081932.db2.gz PAPODYGDHKMXLD-QGZVFWFLSA-N 0 1 405.882 2.715 20 0 HFADMN COC(=O)c1cc(C(C)C)ccc1NC(=O)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000793106857 1078079438 /nfs/dbraw/zinc/07/94/38/1078079438.db2.gz VAMSCCLDKQJRGX-UHFFFAOYSA-N 0 1 412.490 2.973 20 0 HFADMN CN1CCN(c2ccc(CNC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)cn2)CC1 ZINC000790667539 1078084590 /nfs/dbraw/zinc/08/45/90/1078084590.db2.gz NYLULVGFNQFLRR-QAPCUYQASA-N 0 1 412.365 2.559 20 0 HFADMN COc1cc(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)cc(Br)c1OC ZINC000793145559 1078089891 /nfs/dbraw/zinc/08/98/91/1078089891.db2.gz DLXXMYJBOFECPU-AWEZNQCLSA-N 0 1 416.312 2.980 20 0 HFADMN Cc1cc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc(C(=O)[O-])c1Cl ZINC000793345974 1078132301 /nfs/dbraw/zinc/13/23/01/1078132301.db2.gz NVFJEUOKCBZFIW-GFCCVEGCSA-N 0 1 400.928 2.842 20 0 HFADMN COC(=O)c1cc(S(=O)(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)cnc1C ZINC000793407202 1078158262 /nfs/dbraw/zinc/15/82/62/1078158262.db2.gz WWMSGALRVPVDMK-SANMLTNESA-N 0 1 422.406 2.605 20 0 HFADMN Cc1ccc2nc(CNC(=O)[C@H](c3cnn(C)c3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000790919624 1078182976 /nfs/dbraw/zinc/18/29/76/1078182976.db2.gz KQHOVYWFQHJWHB-SFHVURJKSA-N 0 1 412.494 2.829 20 0 HFADMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3nc4c(cnn4C)c(=O)[nH]3)[nH]c2c1 ZINC000747128556 1078199836 /nfs/dbraw/zinc/19/98/36/1078199836.db2.gz UCBWZVPTQZXLOT-INIZCTEOSA-N 0 1 405.462 2.550 20 0 HFADMN CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001170434867 1078210413 /nfs/dbraw/zinc/21/04/13/1078210413.db2.gz ANHDWUKFASBZDX-NVJIOZQYSA-N 0 1 423.513 2.793 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(Cc3cccc(NS(C)(=O)=O)c3)C2)C1 ZINC000793605885 1078223269 /nfs/dbraw/zinc/22/32/69/1078223269.db2.gz RYEDGLKUTGQFSG-HXUWFJFHSA-N 0 1 409.552 2.891 20 0 HFADMN COC(=O)[C@]1(NC(=O)COC2CCC(C)CC2)CCCN(Cc2ccccc2)C1 ZINC000793636381 1078235740 /nfs/dbraw/zinc/23/57/40/1078235740.db2.gz QSIUJKGDSDCGAP-PXLSRWGNSA-N 0 1 402.535 2.906 20 0 HFADMN CCC[C@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CCN1CCOC ZINC000793754251 1078277877 /nfs/dbraw/zinc/27/78/77/1078277877.db2.gz SMWWZWRAQUMGGT-FHWLQOOXSA-N 0 1 411.587 2.981 20 0 HFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1 ZINC000793706620 1078276963 /nfs/dbraw/zinc/27/69/63/1078276963.db2.gz XMMRNURIMLWRMQ-HNNXBMFYSA-N 0 1 412.508 2.770 20 0 HFADMN O=C(NC1CCN(Cc2cccnc2)CC1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000747146220 1078289315 /nfs/dbraw/zinc/28/93/15/1078289315.db2.gz ZUWROMXKUUZREY-FQEVSTJZSA-N 0 1 400.429 2.634 20 0 HFADMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)n[nH]1 ZINC000793747398 1078289358 /nfs/dbraw/zinc/28/93/58/1078289358.db2.gz GKBZLLKJYAOYPN-XYPHTWIQSA-N 0 1 422.489 2.697 20 0 HFADMN COC(=O)COc1c(C)cc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1C ZINC000793876909 1078321621 /nfs/dbraw/zinc/32/16/21/1078321621.db2.gz YMPYXPQOPPZRRQ-GOSISDBHSA-N 0 1 408.458 2.687 20 0 HFADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000793872566 1078329236 /nfs/dbraw/zinc/32/92/36/1078329236.db2.gz CRLYJKQFORGGIZ-HKUYNNGSSA-N 0 1 423.904 2.907 20 0 HFADMN Cc1ccc([C@](O)(CC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)C(F)(F)F)o1 ZINC000793875131 1078331043 /nfs/dbraw/zinc/33/10/43/1078331043.db2.gz PDEIKKJAJBKUSX-KBXCAEBGSA-N 0 1 408.380 2.946 20 0 HFADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000793932441 1078341696 /nfs/dbraw/zinc/34/16/96/1078341696.db2.gz UANZSGKKTGMLAK-VJBMBRPKSA-N 0 1 423.557 2.829 20 0 HFADMN CC[C@H](Cc1ccc2c(c1)OCO2)N1C[C@H]2C[C@H](C(=O)NCc3ccco3)[C@@H](C1)O2 ZINC001170439864 1078340550 /nfs/dbraw/zinc/34/05/50/1078340550.db2.gz BKXLQRHSFPIMQY-NSAZKJPHSA-N 0 1 412.486 2.735 20 0 HFADMN Cc1cccc(CC2(O)CCN(C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)CC2)c1 ZINC000794130986 1078376291 /nfs/dbraw/zinc/37/62/91/1078376291.db2.gz FHIRYYVSDIGEGM-UHFFFAOYSA-N 0 1 423.538 2.740 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000794258241 1078393387 /nfs/dbraw/zinc/39/33/87/1078393387.db2.gz CTMKAKAVSIBHNX-MRVPVSSYSA-N 0 1 411.452 2.667 20 0 HFADMN Cc1cnc([C@H](C)N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000794293327 1078402820 /nfs/dbraw/zinc/40/28/20/1078402820.db2.gz MKULXOVWVYDHJU-ROUUACIJSA-N 0 1 417.554 2.637 20 0 HFADMN Cc1ccc(-c2n[nH]c(SCC(=O)N(CCO)Cc3cccnc3Cl)n2)cc1 ZINC000794327485 1078415031 /nfs/dbraw/zinc/41/50/31/1078415031.db2.gz RDOCKYINYZINSH-UHFFFAOYSA-N 0 1 417.922 2.942 20 0 HFADMN CC[N@H+]1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)[C@@H](C)C1 ZINC000804380929 1078440192 /nfs/dbraw/zinc/44/01/92/1078440192.db2.gz YBJNLJJKVWYMSS-INIZCTEOSA-N 0 1 402.564 2.798 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000804427199 1078472890 /nfs/dbraw/zinc/47/28/90/1078472890.db2.gz SMLPOQACEKPKHY-WSTZPKSXSA-N 0 1 421.522 2.716 20 0 HFADMN Cc1ccc2[nH]cc(C(=O)N3CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c(=O)c2c1 ZINC000804445514 1078511908 /nfs/dbraw/zinc/51/19/08/1078511908.db2.gz HOFOFCIZVRNADB-KSSFIOAISA-N 0 1 415.490 2.591 20 0 HFADMN Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000804447347 1078513722 /nfs/dbraw/zinc/51/37/22/1078513722.db2.gz CUJBMVRTIYLAIP-HXUWFJFHSA-N 0 1 423.561 2.646 20 0 HFADMN Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804447347 1078513733 /nfs/dbraw/zinc/51/37/33/1078513733.db2.gz CUJBMVRTIYLAIP-HXUWFJFHSA-N 0 1 423.561 2.646 20 0 HFADMN Cc1ccccc1[C@H](O)C1CCN(C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000804511225 1078545894 /nfs/dbraw/zinc/54/58/94/1078545894.db2.gz LJNIMOPCLDCVNS-OPAMFIHVSA-N 0 1 420.513 2.962 20 0 HFADMN COc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1S(C)(=O)=O ZINC001129899375 1078593825 /nfs/dbraw/zinc/59/38/25/1078593825.db2.gz QFQJWQTXPZSHEB-UHFFFAOYSA-N 0 1 402.516 2.949 20 0 HFADMN NC(=O)c1cccc(Oc2ccc(NC(=O)CSc3n[nH]c(=S)s3)cn2)c1 ZINC000747216166 1078667729 /nfs/dbraw/zinc/66/77/29/1078667729.db2.gz MVWAPDHXZHYIRE-UHFFFAOYSA-N 0 1 419.513 2.844 20 0 HFADMN CN(CCCN(C)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)Cc1ccco1 ZINC000804870243 1078693354 /nfs/dbraw/zinc/69/33/54/1078693354.db2.gz VDYXUJCDIOQFGE-OAHLLOKOSA-N 0 1 405.417 2.723 20 0 HFADMN Cc1cccc(NC(=O)N2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000747217293 1078724320 /nfs/dbraw/zinc/72/43/20/1078724320.db2.gz BISORBSXVAPIED-UHFFFAOYSA-N 0 1 409.562 2.604 20 0 HFADMN Cc1nc(S(=O)(=O)[N-]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Br)n1C ZINC000804951846 1078778924 /nfs/dbraw/zinc/77/89/24/1078778924.db2.gz BPZOJEXLTWKHMA-CHWSQXEVSA-N 0 1 421.405 2.527 20 0 HFADMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000804926708 1078782311 /nfs/dbraw/zinc/78/23/11/1078782311.db2.gz OJLRHKSLAMKCRX-LPHOPBHVSA-N 0 1 417.554 2.743 20 0 HFADMN COC(=O)[C@@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000805048916 1078862587 /nfs/dbraw/zinc/86/25/87/1078862587.db2.gz UFMPUYMPQWYAIO-LBPRGKRZSA-N 0 1 411.213 2.859 20 0 HFADMN COCCCONC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000805041398 1078858440 /nfs/dbraw/zinc/85/84/40/1078858440.db2.gz ZRTABRCJZXKVFZ-UHFFFAOYSA-N 0 1 416.858 2.978 20 0 HFADMN COC(=O)[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccc(OC)c(Cl)c1 ZINC000805066518 1078877250 /nfs/dbraw/zinc/87/72/50/1078877250.db2.gz OBMBAIGAHLMTHA-CYBMUJFWSA-N 0 1 423.249 2.729 20 0 HFADMN NS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805255782 1079000049 /nfs/dbraw/zinc/00/00/49/1079000049.db2.gz YKWKKBOCCOKRHJ-UHFFFAOYSA-N 0 1 423.647 2.847 20 0 HFADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2nncn2C)c1 ZINC000805337584 1079025056 /nfs/dbraw/zinc/02/50/56/1079025056.db2.gz SINDIJYRZZNUSW-ZDUSSCGKSA-N 0 1 416.459 2.543 20 0 HFADMN CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000805312754 1079032900 /nfs/dbraw/zinc/03/29/00/1079032900.db2.gz WHJDZPFCIVITMW-QZTJIDSGSA-N 0 1 408.543 3.000 20 0 HFADMN CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000805312756 1079033075 /nfs/dbraw/zinc/03/30/75/1079033075.db2.gz WHJDZPFCIVITMW-ZWKOTPCHSA-N 0 1 408.543 3.000 20 0 HFADMN COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)ccc1F ZINC000747253484 1079153986 /nfs/dbraw/zinc/15/39/86/1079153986.db2.gz LBXJDTDPIBOXFM-GDBMZVCRSA-N 0 1 406.479 2.726 20 0 HFADMN COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C)c2)cc1 ZINC000747263270 1079227938 /nfs/dbraw/zinc/22/79/38/1079227938.db2.gz WKAVXDXMBJNFPE-RAXLEYEMSA-N 0 1 416.543 2.934 20 0 HFADMN C[C@H]1CC[N@@H+](CCC(=O)N2CCc3sccc3C2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805786085 1079253118 /nfs/dbraw/zinc/25/31/18/1079253118.db2.gz SPUXWZWATQNWCK-DCGLDWPTSA-N 0 1 417.497 2.800 20 0 HFADMN CCOC(=O)N1CCC(NC(=O)CN(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000805793410 1079258367 /nfs/dbraw/zinc/25/83/67/1079258367.db2.gz YSUBZTKGJFNZLP-UXHICEINSA-N 0 1 417.550 2.901 20 0 HFADMN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000747268198 1079259114 /nfs/dbraw/zinc/25/91/14/1079259114.db2.gz BINHJISXZYKFGC-MRXNPFEDSA-N 0 1 406.470 2.936 20 0 HFADMN CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000805765671 1079266097 /nfs/dbraw/zinc/26/60/97/1079266097.db2.gz OBYXJONASRLXGY-OTWHNJEPSA-N 0 1 409.571 2.926 20 0 HFADMN Cc1c(Br)cccc1S(=O)(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000747269767 1079274819 /nfs/dbraw/zinc/27/48/19/1079274819.db2.gz IWNBNIQJMZLNLT-HNNXBMFYSA-N 0 1 417.369 2.679 20 0 HFADMN COC(=O)Nc1ccc(CNC(=O)CN[C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000805822703 1079293223 /nfs/dbraw/zinc/29/32/23/1079293223.db2.gz VZCIURBLNOCVME-GOSISDBHSA-N 0 1 405.882 2.848 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N(Cc2cc(Br)ccc2F)C2CC2)n[nH]1 ZINC000805849501 1079301762 /nfs/dbraw/zinc/30/17/62/1079301762.db2.gz KEMTZEJWGYSCLI-UHFFFAOYSA-N 0 1 423.286 2.681 20 0 HFADMN C[C@H]1C[NH+](Cc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000805844543 1079321129 /nfs/dbraw/zinc/32/11/29/1079321129.db2.gz JHUTWWWLYGBJBR-IRXDYDNUSA-N 0 1 402.516 2.556 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)n[nH]1 ZINC000805846369 1079322147 /nfs/dbraw/zinc/32/21/47/1079322147.db2.gz IIUYVFKXFMOXSA-QFIPXVFZSA-N 0 1 418.497 2.923 20 0 HFADMN C[C@@H]1C[NH+](Cc2ccc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)cc2)C[C@@H](C)O1 ZINC000805906799 1079328257 /nfs/dbraw/zinc/32/82/57/1079328257.db2.gz ZVHBEFRJPFCGOX-ZIAGYGMSSA-N 0 1 422.469 2.698 20 0 HFADMN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c(Cl)cc1Cl ZINC000747276186 1079340038 /nfs/dbraw/zinc/34/00/38/1079340038.db2.gz DIRVGTBQEUQRGC-QWRGUYRKSA-N 0 1 409.335 2.883 20 0 HFADMN C[C@@H]1CN(C(=O)CCCS(=O)(=O)N2CCCC2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001130458274 1079381795 /nfs/dbraw/zinc/38/17/95/1079381795.db2.gz KBRKYVWBKXSASK-HSALFYBXSA-N 0 1 421.607 2.702 20 0 HFADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)CC1 ZINC000806145031 1079466268 /nfs/dbraw/zinc/46/62/68/1079466268.db2.gz BAVVFKRYICTOHN-IBGZPJMESA-N 0 1 420.941 2.694 20 0 HFADMN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000806169064 1079475890 /nfs/dbraw/zinc/47/58/90/1079475890.db2.gz APUWAXYFXJSILS-SFHVURJKSA-N 0 1 417.554 2.913 20 0 HFADMN C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000787322278 1076765871 /nfs/dbraw/zinc/76/58/71/1076765871.db2.gz CZESIGJXWQVRAU-KSZLIROESA-N 0 1 424.586 2.717 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCCC[C@@H]3c3ncon3)[nH]n2)C1 ZINC000787380730 1076780241 /nfs/dbraw/zinc/78/02/41/1076780241.db2.gz OMAMJHSSRKUXHG-XJKSGUPXSA-N 0 1 416.482 2.885 20 0 HFADMN Cc1cnc(Cl)c(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 ZINC000787445665 1076814243 /nfs/dbraw/zinc/81/42/43/1076814243.db2.gz DLDAUUFXYYGVRE-UHFFFAOYSA-N 0 1 403.918 2.557 20 0 HFADMN CN(c1ccccc1)C1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000746685513 1076818209 /nfs/dbraw/zinc/81/82/09/1076818209.db2.gz DFMYFUNOWXXRPK-UHFFFAOYSA-N 0 1 408.527 2.813 20 0 HFADMN COc1ccc(CN(C)C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)cn1 ZINC000787464035 1076820466 /nfs/dbraw/zinc/82/04/66/1076820466.db2.gz BEXCAPXAUAJMOZ-HNNXBMFYSA-N 0 1 415.494 2.810 20 0 HFADMN COC(=O)[C@H]1CCCCCN1C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n[nH]1 ZINC000787511215 1076830688 /nfs/dbraw/zinc/83/06/88/1076830688.db2.gz QNNPRGQFGRFVKT-WMLDXEAASA-N 0 1 420.510 2.692 20 0 HFADMN CCC1(CO)CCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)CC1 ZINC000787483117 1076840722 /nfs/dbraw/zinc/84/07/22/1076840722.db2.gz NEDGSPDLZSIUCT-HNNXBMFYSA-N 0 1 406.527 2.759 20 0 HFADMN C[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)C[C@@H](c2ccc(F)cc2)O1 ZINC000746691929 1076848137 /nfs/dbraw/zinc/84/81/37/1076848137.db2.gz OHLARSVWTPCEEK-UGSOOPFHSA-N 0 1 413.474 2.813 20 0 HFADMN O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1nnc2ccccc2c1O ZINC000787535887 1076852068 /nfs/dbraw/zinc/85/20/68/1076852068.db2.gz AQSOZZHDDDWGRV-QGZVFWFLSA-N 0 1 412.396 2.535 20 0 HFADMN Cc1nc(COc2ccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cc2)no1 ZINC000746691786 1076852331 /nfs/dbraw/zinc/85/23/31/1076852331.db2.gz IFJPUDLEPZCEFZ-UHFFFAOYSA-N 0 1 423.454 2.594 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000746692669 1076853774 /nfs/dbraw/zinc/85/37/74/1076853774.db2.gz WMOCDXXLFDHXBW-UHFFFAOYSA-N 0 1 412.446 2.590 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)N[C@@H](c1ccccc1)C1CCOCC1 ZINC000746689968 1076859152 /nfs/dbraw/zinc/85/91/52/1076859152.db2.gz UPPONRHXJXUMQF-FQEVSTJZSA-N 0 1 409.511 2.969 20 0 HFADMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746689644 1076859325 /nfs/dbraw/zinc/85/93/25/1076859325.db2.gz OQVRUPFUPMJQIY-IRXDYDNUSA-N 0 1 414.575 2.798 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000746692753 1076870028 /nfs/dbraw/zinc/87/00/28/1076870028.db2.gz XVYZANWUMVJODJ-UHFFFAOYSA-N 0 1 413.459 2.982 20 0 HFADMN CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN3C3CC3)cc2Br)CC1 ZINC000787577584 1076870609 /nfs/dbraw/zinc/87/06/09/1076870609.db2.gz XJYXLZOCVQIYGL-SFHVURJKSA-N 0 1 407.356 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COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(N)=O)c(Cl)n3)CCN2C2CC2)c1 ZINC000807205103 1080351707 /nfs/dbraw/zinc/35/17/07/1080351707.db2.gz AEYRYHVXQRWHSD-WMZOPIPTSA-N 0 1 414.893 2.550 20 0 HFADMN COCC1(CNC(=O)N2CCN(C3CCC3)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000807268773 1080422014 /nfs/dbraw/zinc/42/20/14/1080422014.db2.gz UJEFQTIMBVHXSM-UHFFFAOYSA-N 0 1 424.586 2.530 20 0 HFADMN COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000807261053 1080466714 /nfs/dbraw/zinc/46/67/14/1080466714.db2.gz ONNUJEFIJKFWMH-LLVKDONJSA-N 0 1 404.822 2.970 20 0 HFADMN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)CSc1n[nH]c(=S)s1 ZINC000747388871 1080469861 /nfs/dbraw/zinc/46/98/61/1080469861.db2.gz GBJQITVJLFXJLB-UHFFFAOYSA-N 0 1 419.500 2.789 20 0 HFADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)c1ccco1 ZINC000807310690 1080504819 /nfs/dbraw/zinc/50/48/19/1080504819.db2.gz QBBHERSQDORRRL-MLGOLLRUSA-N 0 1 421.881 2.904 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(NC(=O)OC)c1C ZINC000807357811 1080519216 /nfs/dbraw/zinc/51/92/16/1080519216.db2.gz IPMPMFZFIKIKPT-UHFFFAOYSA-N 0 1 404.511 2.836 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1cc(NC(C)=O)c(F)cc1F ZINC000807357647 1080519667 /nfs/dbraw/zinc/51/96/67/1080519667.db2.gz GXVNDZKMRRYJCG-UHFFFAOYSA-N 0 1 410.465 2.586 20 0 HFADMN CCOC(=O)C1=C(Nc2ccnn(CC3CC3)c2=O)CCN(Cc2ccccc2)C1 ZINC001170522167 1080519909 /nfs/dbraw/zinc/51/99/09/1080519909.db2.gz AWZAWMHLMUBMRC-UHFFFAOYSA-N 0 1 408.502 2.788 20 0 HFADMN Cc1nc(C(=O)Oc2cccc(NC(=O)C(C)C)c2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000747392914 1080576166 /nfs/dbraw/zinc/57/61/66/1080576166.db2.gz LZSMDRROCMNXAO-UHFFFAOYSA-N 0 1 423.355 2.526 20 0 HFADMN Cc1nc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCc4sccc4C3)cc2)n[nH]1 ZINC000807399744 1080595613 /nfs/dbraw/zinc/59/56/13/1080595613.db2.gz RCQBLLPKUARWPT-LBPRGKRZSA-N 0 1 410.503 2.553 20 0 HFADMN Cc1nc([C@@H](C)NC(=O)C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)n[nH]1 ZINC000807399468 1080595853 /nfs/dbraw/zinc/59/58/53/1080595853.db2.gz NLCSUDCSWGRFBL-LLVKDONJSA-N 0 1 402.455 2.584 20 0 HFADMN Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000807413342 1080608848 /nfs/dbraw/zinc/60/88/48/1080608848.db2.gz KVDTWVCANHSDAD-UHFFFAOYSA-N 0 1 423.311 2.665 20 0 HFADMN CN(C)C[C@H](NC(=O)C(=O)Nc1c(F)cccc1-n1cccn1)c1ccc(F)cc1 ZINC000807486428 1080668120 /nfs/dbraw/zinc/66/81/20/1080668120.db2.gz HTNWALAQFHFQLO-KRWDZBQOSA-N 0 1 413.428 2.508 20 0 HFADMN CN(C(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1)c1nn[nH]n1 ZINC001130969073 1080682500 /nfs/dbraw/zinc/68/25/00/1080682500.db2.gz ILVZNACORXSXID-UHFFFAOYSA-N 0 1 420.351 2.513 20 0 HFADMN Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c(Cl)c1 ZINC000807493013 1080683045 /nfs/dbraw/zinc/68/30/45/1080683045.db2.gz NHAGTFIHTKVXQP-MJVIPROJSA-N 0 1 419.831 2.891 20 0 HFADMN C[C@H]1CCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CCN1Cc1ccccc1 ZINC000807496494 1080692618 /nfs/dbraw/zinc/69/26/18/1080692618.db2.gz KTLVFBUWEFVYIF-NBGIEHNGSA-N 0 1 423.557 2.523 20 0 HFADMN CCN(C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000807502147 1080699911 /nfs/dbraw/zinc/69/99/11/1080699911.db2.gz ZEGATIFBBOVFON-WIOPSUGQSA-N 0 1 423.557 2.523 20 0 HFADMN COC(=O)Nc1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1 ZINC000807544740 1080761492 /nfs/dbraw/zinc/76/14/92/1080761492.db2.gz ZWCDEJFDHURVDB-BEFAXECRSA-N 0 1 410.474 2.583 20 0 HFADMN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000807547008 1080762930 /nfs/dbraw/zinc/76/29/30/1080762930.db2.gz VKSRMJXREMJHMG-VJBMBRPKSA-N 0 1 423.557 2.514 20 0 HFADMN COc1c(C)cnc(CN2CCC(N(C)C(=O)COCc3ccccn3)CC2)c1C ZINC000807583219 1080795053 /nfs/dbraw/zinc/79/50/53/1080795053.db2.gz NGPNGFUBRODNJW-UHFFFAOYSA-N 0 1 412.534 2.742 20 0 HFADMN Cn1cc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)c(I)n1 ZINC001179396459 1126152264 /nfs/dbraw/zinc/15/22/64/1126152264.db2.gz GMSRCWXTWDDWTR-OAHLLOKOSA-N 0 1 419.694 2.761 20 0 HFADMN O=c1cc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)nc2sccn21 ZINC001473641453 1126198372 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Cc1cn(-c2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nn2)cn1 ZINC001164698451 719895719 /nfs/dbraw/zinc/89/57/19/719895719.db2.gz TYFFALCSNUDCFJ-UHFFFAOYSA-N 0 1 410.547 2.904 20 0 HFADMN CC(C)N1Cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1=O ZINC001164726379 720426909 /nfs/dbraw/zinc/42/69/09/720426909.db2.gz BVMFOASFKHLGRK-DLBZAZTESA-N 0 1 412.925 2.742 20 0 HFADMN COc1nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc(N2CCCCCC2)n1 ZINC001164734463 720432699 /nfs/dbraw/zinc/43/26/99/720432699.db2.gz SFKNZKBPEWOWHZ-RTBURBONSA-N 0 1 409.538 2.509 20 0 HFADMN CN1CCN(c2cccc(N3CCO[C@@]4(CCC[C@@H]4COc4ccccn4)C3)n2)CC1 ZINC001164735820 720539317 /nfs/dbraw/zinc/53/93/17/720539317.db2.gz RUPHJUYAPSJHCI-YKSBVNFPSA-N 0 1 423.561 2.683 20 0 HFADMN O=C(c1cccnc1N1CCc2ncc(CN3CCCC3)n2CC1)N1CCCCC1 ZINC001164732947 720551261 /nfs/dbraw/zinc/55/12/61/720551261.db2.gz GIYINADNNWWXGF-UHFFFAOYSA-N 0 1 408.550 2.563 20 0 HFADMN Clc1nc2c(c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CCCCC2 ZINC001164740628 720687848 /nfs/dbraw/zinc/68/78/48/720687848.db2.gz REFJJAXGGDAHKR-HUUCEWRRSA-N 0 1 400.914 2.531 20 0 HFADMN Fc1cccc(Oc2cncc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164739428 720734334 /nfs/dbraw/zinc/73/43/34/720734334.db2.gz IOTYLPKFXAUJMZ-SJLPKXTDSA-N 0 1 408.437 2.540 20 0 HFADMN Fc1cc2ncc(Cl)nc2cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742907 720778072 /nfs/dbraw/zinc/77/80/72/720778072.db2.gz PIURJATZYRTHBU-OLZOCXBDSA-N 0 1 400.845 2.554 20 0 HFADMN c1ccc(CSc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164746698 720798626 /nfs/dbraw/zinc/79/86/26/720798626.db2.gz MQJYXACDJXPHPZ-OALUTQOASA-N 0 1 420.542 2.901 20 0 HFADMN CCOC(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164762513 721071040 /nfs/dbraw/zinc/07/10/40/721071040.db2.gz FDHBFXMFBURIBS-RDJZCZTQSA-N 0 1 403.914 2.604 20 0 HFADMN Nc1cc(C(F)(F)N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164879023 721132326 /nfs/dbraw/zinc/13/23/26/721132326.db2.gz RLCSTXVSHVRIAY-HOTGVXAUSA-N 0 1 409.868 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ZINC001164876261 721330451 /nfs/dbraw/zinc/33/04/51/721330451.db2.gz NEJIAGAEGRMVHB-IBGZPJMESA-N 0 1 417.517 2.993 20 0 HFADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4cccnc43)C2)C1 ZINC001164777737 721337770 /nfs/dbraw/zinc/33/77/70/721337770.db2.gz PWSZPPLUFZOIAQ-QFIPXVFZSA-N 0 1 408.506 2.749 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ncc4Cl)C3)O2)CC1 ZINC001164888510 721385337 /nfs/dbraw/zinc/38/53/37/721385337.db2.gz JPXUIZBMLTUWMW-RDTXWAMCSA-N 0 1 400.354 2.549 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CSC5)C3)O2)CC1 ZINC001164886336 721399757 /nfs/dbraw/zinc/39/97/57/721399757.db2.gz FGTQHXVPARTDOM-MGPUTAFESA-N 0 1 424.014 2.642 20 0 HFADMN CCOc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164889915 721408968 /nfs/dbraw/zinc/40/89/68/721408968.db2.gz RVOVGLWRUZTXLG-UTKZUKDTSA-N 0 1 408.974 2.899 20 0 HFADMN Cc1cc2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2s1 ZINC001164889573 721428397 /nfs/dbraw/zinc/42/83/97/721428397.db2.gz 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ZINC000794332389 1078416686 /nfs/dbraw/zinc/41/66/86/1078416686.db2.gz VYTLSVHGJRQSIP-MWLCHTKSSA-N 0 1 401.393 2.543 20 0 HFADMN Cc1cc(C2(C(=O)N(C)C3CCN(CCC(F)(F)F)CC3)CCOCC2)on1 ZINC001129799764 1078475679 /nfs/dbraw/zinc/47/56/79/1078475679.db2.gz GAZSZTPHBOCHQC-UHFFFAOYSA-N 0 1 403.445 2.906 20 0 HFADMN CC[C@@H]1CN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n[nH]2)C[C@H](C)[S@]1=O ZINC000804435579 1078479703 /nfs/dbraw/zinc/47/97/03/1078479703.db2.gz OGINGUBCZANWLY-MCDBFQNNSA-N 0 1 424.567 2.506 20 0 HFADMN CCN1CCN(CC(C)(C)NC(=O)Cc2c(F)ccc(Br)c2F)CC1 ZINC001129808293 1078505659 /nfs/dbraw/zinc/50/56/59/1078505659.db2.gz NUCVQMWXMHZXDY-UHFFFAOYSA-N 0 1 418.326 2.802 20 0 HFADMN Cc1nnc(SCCC(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)[nH]1 ZINC000804671794 1078507398 /nfs/dbraw/zinc/50/73/98/1078507398.db2.gz PCKAFPAOMCSVKE-HOCLYGCPSA-N 0 1 409.556 2.845 20 0 HFADMN COC(=O)c1ccn(CC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC001129518744 1078530703 /nfs/dbraw/zinc/53/07/03/1078530703.db2.gz COXQBKNIAOIYOS-INIZCTEOSA-N 0 1 401.854 2.953 20 0 HFADMN CC(=O)c1ccc(N2CC[C@H](C)N(Cc3ccccc3)CC2)c(S(N)(=O)=O)c1 ZINC000804528300 1078566392 /nfs/dbraw/zinc/56/63/92/1078566392.db2.gz YWEXFQIRDNJANI-INIZCTEOSA-N 0 1 401.532 2.637 20 0 HFADMN COC[C@@]1(CNC(=O)c2c[nH]c3ccccc3c2=O)CCCN1C(=O)OC(C)(C)C ZINC000804789946 1078647995 /nfs/dbraw/zinc/64/79/95/1078647995.db2.gz VIHAKFVSMPFOQN-QFIPXVFZSA-N 0 1 415.490 2.674 20 0 HFADMN CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)Nc3nc4n(n3)CCCC4)o2)CC1 ZINC001129698096 1078657099 /nfs/dbraw/zinc/65/70/99/1078657099.db2.gz XKJXGJLHBRLJGY-UHFFFAOYSA-N 0 1 416.482 2.969 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000804873904 1078695992 /nfs/dbraw/zinc/69/59/92/1078695992.db2.gz DPQVAIRCDPEKQF-LBPRGKRZSA-N 0 1 416.594 2.969 20 0 HFADMN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000804884013 1078713101 /nfs/dbraw/zinc/71/31/01/1078713101.db2.gz NVTBYTNXGPOMJF-AWEZNQCLSA-N 0 1 412.870 2.670 20 0 HFADMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](CN1CCN(c3cccc(F)n3)CC1)O2 ZINC001170469854 1078725336 /nfs/dbraw/zinc/72/53/36/1078725336.db2.gz SBQQVULQDSJLIB-MRXNPFEDSA-N 0 1 406.502 2.511 20 0 HFADMN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000804639207 1078726210 /nfs/dbraw/zinc/72/62/10/1078726210.db2.gz KNNPWFRZSHAUDX-SJORKVTESA-N 0 1 404.511 2.967 20 0 HFADMN COC(=O)c1cc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)ccc1N1CCCCC1 ZINC001130052840 1078832560 /nfs/dbraw/zinc/83/25/60/1078832560.db2.gz CXDIWIYSPCMXTJ-UHFFFAOYSA-N 0 1 415.412 2.859 20 0 HFADMN COc1ccccc1[C@H](NS(=O)(=O)c1ccc(Cl)nc1C)c1noc(C)n1 ZINC000805004163 1078849819 /nfs/dbraw/zinc/84/98/19/1078849819.db2.gz KMHKWVHJVNKCPR-INIZCTEOSA-N 0 1 408.867 2.811 20 0 HFADMN COc1cc(OC)cc([C@H](O)CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000805011941 1078855458 /nfs/dbraw/zinc/85/54/58/1078855458.db2.gz JOZBGVZPLURJIQ-CQSZACIVSA-N 0 1 407.822 2.647 20 0 HFADMN CC(C)Cn1[nH]c(CC(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1=O ZINC001130064471 1078863763 /nfs/dbraw/zinc/86/37/63/1078863763.db2.gz WLUSILJSMLKRAT-PMPSAXMXSA-N 0 1 408.543 2.620 20 0 HFADMN CCCOc1ncccc1CNC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805116915 1078900922 /nfs/dbraw/zinc/90/09/22/1078900922.db2.gz VSFBAYQWYRXLPL-YDHLFZDLSA-N 0 1 416.444 2.857 20 0 HFADMN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC000805135298 1078933095 /nfs/dbraw/zinc/93/30/95/1078933095.db2.gz IKMHPBSTOCVOSV-WMLDXEAASA-N 0 1 405.392 2.565 20 0 HFADMN Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805144285 1078943822 /nfs/dbraw/zinc/94/38/22/1078943822.db2.gz YOGJARRISGHKRX-HOZXKAFVSA-N 0 1 404.433 2.709 20 0 HFADMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)c2nncn2C)ccc1F ZINC000805332052 1079022036 /nfs/dbraw/zinc/02/20/36/1079022036.db2.gz MBXOWERWFSJQLI-ZDUSSCGKSA-N 0 1 418.450 2.981 20 0 HFADMN CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)N(C)CCCN(C)Cc2ccco2)C1 ZINC000805312755 1079032997 /nfs/dbraw/zinc/03/29/97/1079032997.db2.gz WHJDZPFCIVITMW-ROUUACIJSA-N 0 1 408.543 3.000 20 0 HFADMN COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)ccc1F ZINC000747253490 1079154002 /nfs/dbraw/zinc/15/40/02/1079154002.db2.gz LBXJDTDPIBOXFM-ZBFHGGJFSA-N 0 1 406.479 2.726 20 0 HFADMN CC(C)(C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1)N1CCCC1 ZINC000805610394 1079174209 /nfs/dbraw/zinc/17/42/09/1079174209.db2.gz IQGTWOVIOUIIOH-UHFFFAOYSA-N 0 1 405.564 2.592 20 0 HFADMN Cc1ccc(CC(=O)O[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(Cl)n1 ZINC000805666953 1079210845 /nfs/dbraw/zinc/21/08/45/1079210845.db2.gz YYBNUTOLYACDME-LPHOPBHVSA-N 0 1 415.921 2.908 20 0 HFADMN CCN1CCCC[C@H]1CNS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000747268673 1079251685 /nfs/dbraw/zinc/25/16/85/1079251685.db2.gz VXEVYEWGQFJICC-NSHDSACASA-N 0 1 409.335 2.933 20 0 HFADMN C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787506 1079253983 /nfs/dbraw/zinc/25/39/83/1079253983.db2.gz RGQNOJOPUQORLM-JFILPPLUSA-N 0 1 408.848 2.857 20 0 HFADMN CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805790514 1079257105 /nfs/dbraw/zinc/25/71/05/1079257105.db2.gz ATVVYRHTJDONQO-VQTJNVASSA-N 0 1 402.535 2.966 20 0 HFADMN COc1ccc([C@@H](CC(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)NC(C)=O)cc1 ZINC000021487867 1079274322 /nfs/dbraw/zinc/27/43/22/1079274322.db2.gz FJRXRFDLCPYQLU-JOCHJYFZSA-N 0 1 424.545 2.961 20 0 HFADMN Cc1cc(=O)n2nc(CN3CCCC[C@@H]3CCNC(=O)OC(C)(C)C)sc2n1 ZINC000805765939 1079268272 /nfs/dbraw/zinc/26/82/72/1079268272.db2.gz SMWYWYDACXFRMX-CQSZACIVSA-N 0 1 407.540 2.729 20 0 HFADMN COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1C[C@@H](O)CSC ZINC000805829801 1079298144 /nfs/dbraw/zinc/29/81/44/1079298144.db2.gz PJTBVCLQFULFGD-INWMFGNUSA-N 0 1 406.470 2.603 20 0 HFADMN COc1ccccc1[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1C[C@@H](O)CSC ZINC000805829801 1079298150 /nfs/dbraw/zinc/29/81/50/1079298150.db2.gz PJTBVCLQFULFGD-INWMFGNUSA-N 0 1 406.470 2.603 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)n[nH]1 ZINC000805848072 1079301267 /nfs/dbraw/zinc/30/12/67/1079301267.db2.gz GZCHNVZBHLZJBD-IBGZPJMESA-N 0 1 411.893 2.737 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N(Cc2cccc(Br)c2)C(C)C)n[nH]1 ZINC000805850512 1079301815 /nfs/dbraw/zinc/30/18/15/1079301815.db2.gz VPBVOXHBIUYMBL-UHFFFAOYSA-N 0 1 407.312 2.788 20 0 HFADMN CCc1cc(CNC(=O)C(=O)N[C@H](CC)c2cc(F)cc(Br)c2)n[nH]1 ZINC000805851916 1079302722 /nfs/dbraw/zinc/30/27/22/1079302722.db2.gz XRCDXXVRNIGULU-OAHLLOKOSA-N 0 1 411.275 2.757 20 0 HFADMN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[N-]S(=O)(=O)CCc3ccccc3)cc2)C[C@H](C)O1 ZINC000805871891 1079314583 /nfs/dbraw/zinc/31/45/83/1079314583.db2.gz OTDFTFNRDIOVLA-HDICACEKSA-N 0 1 416.543 2.598 20 0 HFADMN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[N-]S(=O)(=O)CCc3ccccc3)cc2)C[C@H](C)O1 ZINC000805871891 1079314592 /nfs/dbraw/zinc/31/45/92/1079314592.db2.gz OTDFTFNRDIOVLA-HDICACEKSA-N 0 1 416.543 2.598 20 0 HFADMN COCCN1CCN(C(=O)[C@@H]2C[C@@]23CCCN(C(=O)OC(C)(C)C)C3)C(C)(C)C1 ZINC001130421264 1079340843 /nfs/dbraw/zinc/34/08/43/1079340843.db2.gz NCZVLXPYKSFEJO-HTAPYJJXSA-N 0 1 409.571 2.593 20 0 HFADMN COC(=O)[C@@]1(NC(=O)C[C@H]2OCc3ccccc32)CCCN(Cc2ccccc2)C1 ZINC001130448184 1079349352 /nfs/dbraw/zinc/34/93/52/1079349352.db2.gz LPWQGRKCQSIMPU-ZJSXRUAMSA-N 0 1 408.498 2.972 20 0 HFADMN Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000805924068 1079356948 /nfs/dbraw/zinc/35/69/48/1079356948.db2.gz SRHOTXYGAZPTGE-HDICACEKSA-N 0 1 416.543 2.864 20 0 HFADMN Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000805924068 1079356959 /nfs/dbraw/zinc/35/69/59/1079356959.db2.gz SRHOTXYGAZPTGE-HDICACEKSA-N 0 1 416.543 2.864 20 0 HFADMN Cn1nc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1C(F)(F)F ZINC001130527859 1079464393 /nfs/dbraw/zinc/46/43/93/1079464393.db2.gz IZTLZSLYGSRCGQ-IRXDYDNUSA-N 0 1 408.424 2.554 20 0 HFADMN COCCOc1cccc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c1 ZINC001130529730 1079466236 /nfs/dbraw/zinc/46/62/36/1079466236.db2.gz YOLTXJXQMMEOAP-GOTSBHOMSA-N 0 1 410.514 2.827 20 0 HFADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)N2CC(OC(=O)NC(C)C)C2)CC1 ZINC000806145320 1079467133 /nfs/dbraw/zinc/46/71/33/1079467133.db2.gz IKBHRRLIBHDOJL-UHFFFAOYSA-N 0 1 423.945 2.833 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)[nH]n2)C1 ZINC000787310498 1076757234 /nfs/dbraw/zinc/75/72/34/1076757234.db2.gz OOJKTFHORWEQOG-LSDHHAIUSA-N 0 1 414.510 2.877 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCC(c4cn[nH]c4)CC3)[nH]n2)C1 ZINC000787378497 1076779711 /nfs/dbraw/zinc/77/97/11/1076779711.db2.gz OFYCUHVSKBDGNX-HNNXBMFYSA-N 0 1 414.510 2.877 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCOC[C@H]3c3ccco3)[nH]n2)C1 ZINC000787382237 1076782042 /nfs/dbraw/zinc/78/20/42/1076782042.db2.gz YIGITHOTHANRSD-PBHICJAKSA-N 0 1 416.478 2.941 20 0 HFADMN C[C@@H]1CN(c2ccc(NC(=O)CN3CC[C@@H](Cc4cnn(C)c4)C3)cc2)C[C@@H](C)O1 ZINC000746679118 1076795434 /nfs/dbraw/zinc/79/54/34/1076795434.db2.gz OAVCRJANBZCFNQ-QRVBRYPASA-N 0 1 411.550 2.537 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000746683297 1076815787 /nfs/dbraw/zinc/81/57/87/1076815787.db2.gz YMXSGLMHPRBFII-MRXNPFEDSA-N 0 1 411.483 2.882 20 0 HFADMN COc1ccccc1C[C@@H]1CCCN1C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746686984 1076823663 /nfs/dbraw/zinc/82/36/63/1076823663.db2.gz ALBWYKRCRXBMOV-INIZCTEOSA-N 0 1 409.511 2.928 20 0 HFADMN COc1cccc(C[C@H]2CCCN2C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000746686755 1076828841 /nfs/dbraw/zinc/82/88/41/1076828841.db2.gz TTWULSPBNOQWSP-MRXNPFEDSA-N 0 1 409.511 2.928 20 0 HFADMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000746687821 1076836550 /nfs/dbraw/zinc/83/65/50/1076836550.db2.gz KSQHADINBGFODS-DOTOQJQBSA-N 0 1 408.527 2.637 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@]3(C)CCCO)[nH]n2)C1 ZINC000787484210 1076841176 /nfs/dbraw/zinc/84/11/76/1076841176.db2.gz CBZOSROWGFLHPF-VFNWGFHPSA-N 0 1 406.527 2.901 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCC[C@@H]3c3ncc[nH]3)[nH]n2)C1 ZINC000787487338 1076844620 /nfs/dbraw/zinc/84/46/20/1076844620.db2.gz VXECONHLFCCHQV-CZUORRHYSA-N 0 1 400.483 2.835 20 0 HFADMN C[C@@H]1CN(c2ccc(NC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)cc2)CCO1 ZINC000746691214 1076846552 /nfs/dbraw/zinc/84/65/52/1076846552.db2.gz CHDHDVJKMIWXRW-CQSZACIVSA-N 0 1 410.499 2.549 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000746692395 1076847602 /nfs/dbraw/zinc/84/76/02/1076847602.db2.gz SYLKPLGAGSXKSC-AWEZNQCLSA-N 0 1 424.309 2.842 20 0 HFADMN CC(=O)N(Cc1ccc(NC(=O)Cn2c(=O)c3ccccc3[nH]c2=S)cc1)C1CC1 ZINC000746692024 1076848361 /nfs/dbraw/zinc/84/83/61/1076848361.db2.gz LPDLOLMEVQMUQM-UHFFFAOYSA-N 0 1 422.510 2.835 20 0 HFADMN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1nnc2ccccc2c1O ZINC000787535886 1076851911 /nfs/dbraw/zinc/85/19/11/1076851911.db2.gz AQSOZZHDDDWGRV-KRWDZBQOSA-N 0 1 412.396 2.535 20 0 HFADMN Cc1c(C[S@](C)=O)cccc1NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746689927 1076859161 /nfs/dbraw/zinc/85/91/61/1076859161.db2.gz RDIFRXSSRSWKCO-MHZLTWQESA-N 0 1 401.513 2.511 20 0 HFADMN CC(C)COC[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)c1ccco1 ZINC000746689680 1076859430 /nfs/dbraw/zinc/85/94/30/1076859430.db2.gz TWIPSXKYIBJDII-INIZCTEOSA-N 0 1 401.488 2.808 20 0 HFADMN C[C@@H](CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[N@@H+](C)Cc1ccccc1 ZINC000746693656 1076860667 /nfs/dbraw/zinc/86/06/67/1076860667.db2.gz HBKXWMVMYZFEBG-INIZCTEOSA-N 0 1 410.543 2.712 20 0 HFADMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)c2nnnn2C)c1 ZINC000787563921 1076865728 /nfs/dbraw/zinc/86/57/28/1076865728.db2.gz GPTLFKPWMUSSEB-AWEZNQCLSA-N 0 1 415.475 2.546 20 0 HFADMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NC[C@H](O)c1ccc2ccccc2c1 ZINC000746692561 1076870249 /nfs/dbraw/zinc/87/02/49/1076870249.db2.gz VYZNUPUOGFSUQP-IBGZPJMESA-N 0 1 405.479 2.688 20 0 HFADMN C[C@@H](CNC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)Oc1ccccc1Cl ZINC000746692980 1076871613 /nfs/dbraw/zinc/87/16/13/1076871613.db2.gz YQFJOZAJWQJPJD-LBPRGKRZSA-N 0 1 403.891 2.922 20 0 HFADMN Cc1ccc(-c2nc(CNC(=O)Cn3c(=O)c4ccccc4[nH]c3=S)co2)cc1 ZINC000746694485 1076873002 /nfs/dbraw/zinc/87/30/02/1076873002.db2.gz XAKCMOMBJPPDEK-UHFFFAOYSA-N 0 1 406.467 2.965 20 0 HFADMN CCN(c1ccc(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1)C(C)C ZINC000787606772 1076875928 /nfs/dbraw/zinc/87/59/28/1076875928.db2.gz KQXWVEHZZMTEPL-GOSISDBHSA-N 0 1 416.566 2.572 20 0 HFADMN CCN(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCc2nc(C)ncc21)c1ccsc1 ZINC000787617846 1076880372 /nfs/dbraw/zinc/88/03/72/1076880372.db2.gz UBNIZYQNFCJVID-RBUKOAKNSA-N 0 1 415.563 2.539 20 0 HFADMN CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H](c2ccccn2)C1)c1ccsc1 ZINC000787618393 1076880396 /nfs/dbraw/zinc/88/03/96/1076880396.db2.gz WLOQAVBAACTXLL-LPHOPBHVSA-N 0 1 400.548 2.658 20 0 HFADMN CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1)c1ccsc1 ZINC000787618399 1076880402 /nfs/dbraw/zinc/88/04/02/1076880402.db2.gz WLOQAVBAACTXLL-VQIMIIECSA-N 0 1 400.548 2.658 20 0 HFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000787603007 1076888522 /nfs/dbraw/zinc/88/85/22/1076888522.db2.gz DBTSVYHVRKJRTF-ZDUSSCGKSA-N 0 1 413.490 2.652 20 0 HFADMN CCN(c1ccc(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1)C(C)C ZINC000787603938 1076889300 /nfs/dbraw/zinc/88/93/00/1076889300.db2.gz KQXWVEHZZMTEPL-SFHVURJKSA-N 0 1 416.566 2.572 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCN(CCc3ccccc3)CC2)C1 ZINC000787710117 1076921307 /nfs/dbraw/zinc/92/13/07/1076921307.db2.gz ZZSBBOCIUIKABM-NZQKXSOJSA-N 0 1 403.567 2.607 20 0 HFADMN Cc1nc2c(s1)[C@@H](NC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1)CCC2 ZINC000787751184 1076926296 /nfs/dbraw/zinc/92/62/96/1076926296.db2.gz KEQRKTWLURNCIP-OALUTQOASA-N 0 1 412.559 2.898 20 0 HFADMN CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)[N-]OC1CCCCC1 ZINC000787752941 1076927687 /nfs/dbraw/zinc/92/76/87/1076927687.db2.gz WUKBWMYQQKGWEA-FQEVSTJZSA-N 0 1 401.551 2.956 20 0 HFADMN C[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787732009 1076934110 /nfs/dbraw/zinc/93/41/10/1076934110.db2.gz XUJHKVJIPZRIFU-XYZCENFISA-N 0 1 418.247 2.906 20 0 HFADMN O=C(NCCSC(F)(F)F)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000787736545 1076936407 /nfs/dbraw/zinc/93/64/07/1076936407.db2.gz LGKRWMXGUUWTJN-HNNXBMFYSA-N 0 1 403.470 2.699 20 0 HFADMN Cc1cc([C@H]2CCCN2C(=O)C(=O)N[C@H](CN2CCCCC2)c2ccccc2)no1 ZINC000787736594 1076936419 /nfs/dbraw/zinc/93/64/19/1076936419.db2.gz MECJUSUOBPARRB-NHCUHLMSSA-N 0 1 410.518 2.990 20 0 HFADMN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000787741094 1076937732 /nfs/dbraw/zinc/93/77/32/1076937732.db2.gz YHECINSMPVZSPQ-YADHBBJMSA-N 0 1 421.541 2.840 20 0 HFADMN CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)n1 ZINC000787803242 1076950133 /nfs/dbraw/zinc/95/01/33/1076950133.db2.gz OTVWXEAJNPYDPH-UHFFFAOYSA-N 0 1 415.519 2.885 20 0 HFADMN COCCN(C(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[C@H]1CCOC1 ZINC000787844492 1076961300 /nfs/dbraw/zinc/96/13/00/1076961300.db2.gz WXCOILRBWDEENC-INIZCTEOSA-N 0 1 419.547 2.510 20 0 HFADMN C[C@H](Cc1ccco1)NC(=O)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000787958445 1077008799 /nfs/dbraw/zinc/00/87/99/1077008799.db2.gz DMKNONJKDLNDFY-NVXWUHKLSA-N 0 1 407.474 2.518 20 0 HFADMN COc1ccccc1NC(=O)Cc1nc(COC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC000787964659 1077010713 /nfs/dbraw/zinc/01/07/13/1077010713.db2.gz BKARWCPHMKICCT-IBGZPJMESA-N 0 1 405.520 2.962 20 0 HFADMN O=C(OCCCCCO)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000787971534 1077012647 /nfs/dbraw/zinc/01/26/47/1077012647.db2.gz WZVKYNNHBINRAM-UHFFFAOYSA-N 0 1 421.471 2.578 20 0 HFADMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)NOCc1cccnc1 ZINC000746725433 1077032065 /nfs/dbraw/zinc/03/20/65/1077032065.db2.gz JATWTYPJEBVFSD-UHFFFAOYSA-N 0 1 403.914 2.678 20 0 HFADMN O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000788151001 1077069102 /nfs/dbraw/zinc/06/91/02/1077069102.db2.gz YUOWGUCAIVHEHA-LJQANCHMSA-N 0 1 417.498 2.983 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)ccc1O ZINC000788165469 1077072548 /nfs/dbraw/zinc/07/25/48/1077072548.db2.gz DJYDMDQIPKJDJV-UHFFFAOYSA-N 0 1 422.466 2.892 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2cc(Cl)ccc2Br)ccc1O ZINC000788167928 1077073090 /nfs/dbraw/zinc/07/30/90/1077073090.db2.gz YRJYYAMHUUKUSH-UHFFFAOYSA-N 0 1 419.684 2.969 20 0 HFADMN COc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)cnc1Br ZINC000788169102 1077073767 /nfs/dbraw/zinc/07/37/67/1077073767.db2.gz HRZGIVDBVPWZCV-UHFFFAOYSA-N 0 1 405.296 2.642 20 0 HFADMN Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788239600 1077084484 /nfs/dbraw/zinc/08/44/84/1077084484.db2.gz ARDQRINZIYOMDX-AWEZNQCLSA-N 0 1 409.490 2.893 20 0 HFADMN Cn1cc(-n2cc(C(=O)N[C@H]3CCc4nc(C5CCCCC5)[nH]c4C3)ccc2=O)cn1 ZINC000788242769 1077085226 /nfs/dbraw/zinc/08/52/26/1077085226.db2.gz LEQZNUGBBKLEGN-KRWDZBQOSA-N 0 1 420.517 2.629 20 0 HFADMN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)CC1 ZINC000788247436 1077086304 /nfs/dbraw/zinc/08/63/04/1077086304.db2.gz URKCSMWUQTXFTB-QGZVFWFLSA-N 0 1 401.555 2.825 20 0 HFADMN O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(Br)[nH]n2)C2CC2)cc1 ZINC000788276822 1077095859 /nfs/dbraw/zinc/09/58/59/1077095859.db2.gz QGMHHXKMYOCXSD-UHFFFAOYSA-N 0 1 403.280 2.869 20 0 HFADMN CC[C@@]1(c2ccc(NC(=O)c3cc(Br)n[nH]3)cc2)CCC(=O)NC1=O ZINC000788289932 1077098875 /nfs/dbraw/zinc/09/88/75/1077098875.db2.gz IUXMNOYMEIBCPA-KRWDZBQOSA-N 0 1 405.252 2.509 20 0 HFADMN C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC001626111935 1077139627 /nfs/dbraw/zinc/13/96/27/1077139627.db2.gz TUVSVYVQQWKHQD-QGZVFWFLSA-N 0 1 421.588 2.940 20 0 HFADMN O=C(NCCN1C(=O)SC(=Cc2ccccc2)C1=O)c1n[nH]nc1-c1ccccc1 ZINC000788621801 1077232353 /nfs/dbraw/zinc/23/23/53/1077232353.db2.gz RRTMYUUGTNXFDO-SSZFMOIBSA-N 0 1 419.466 2.938 20 0 HFADMN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000788624842 1077233844 /nfs/dbraw/zinc/23/38/44/1077233844.db2.gz HIRMJFRRXVLQED-IMJJTQAJSA-N 0 1 402.499 2.639 20 0 HFADMN CN(C)[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(F)c1 ZINC000788691597 1077252985 /nfs/dbraw/zinc/25/29/85/1077252985.db2.gz ZDDYLGXSCFSTLR-LEWJYISDSA-N 0 1 412.509 2.871 20 0 HFADMN C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cnc(Br)c(Cl)c1 ZINC000791031698 1077276798 /nfs/dbraw/zinc/27/67/98/1077276798.db2.gz NZGWNDUVACEDJL-NSHDSACASA-N 0 1 402.720 2.823 20 0 HFADMN COC(=O)Cc1cccc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)n1 ZINC000791047866 1077283083 /nfs/dbraw/zinc/28/30/83/1077283083.db2.gz OJRIHYKZOBGULB-UHFFFAOYSA-N 0 1 413.455 2.574 20 0 HFADMN O=S(=O)(Nc1ccc(I)cn1)C1=Cc2ccccc2OC1 ZINC000788843461 1077317282 /nfs/dbraw/zinc/31/72/82/1077317282.db2.gz TYVNIACXGSASOG-UHFFFAOYSA-N 0 1 414.224 2.861 20 0 HFADMN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1c(F)cc(O)cc1F)c1ccc2c(c1)OCCO2 ZINC000746987837 1077332781 /nfs/dbraw/zinc/33/27/81/1077332781.db2.gz RNTXSMRLCHXJQF-GHMZBOCLSA-N 0 1 407.369 2.864 20 0 HFADMN O=C(OCc1nnnn1-c1ccccc1Br)c1c(F)cc(O)cc1F ZINC000746988651 1077334176 /nfs/dbraw/zinc/33/41/76/1077334176.db2.gz ZJPUQEHBNHVNDS-UHFFFAOYSA-N 0 1 411.162 2.766 20 0 HFADMN O=C(c1ccc(-n2[nH]c(Cc3ccccc3)cc2=O)cc1)N1CCC[C@]12CCOC2=O ZINC000791226233 1077335640 /nfs/dbraw/zinc/33/56/40/1077335640.db2.gz SQYKVYLGDJFAKV-XMMPIXPASA-N 0 1 417.465 2.944 20 0 HFADMN Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)N(C)C ZINC000788914588 1077351878 /nfs/dbraw/zinc/35/18/78/1077351878.db2.gz CYLOSRUOWCNCOS-OXQOHEQNSA-N 0 1 417.531 2.921 20 0 HFADMN CN(C)c1nc2ccc(NC(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)cc2[nH]1 ZINC000791272694 1077355669 /nfs/dbraw/zinc/35/56/69/1077355669.db2.gz UVEWBURXDWKCMY-UHFFFAOYSA-N 0 1 408.437 2.885 20 0 HFADMN Cc1cc(C)c(N2CC[C@H](NC(=O)N[C@@H](c3nnc[nH]3)c3ccccc3)C2=O)c(C)c1 ZINC000788942546 1077372101 /nfs/dbraw/zinc/37/21/01/1077372101.db2.gz 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C[C@H](OC(=O)c1cc(Cl)cc(F)c1N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000791475959 1077446686 /nfs/dbraw/zinc/44/66/86/1077446686.db2.gz RMHMQCGUMWLZRD-BBRMVZONSA-N 0 1 419.884 2.997 20 0 HFADMN Cn1cc(N2CCC[C@H](N3CCC(COc4ccc(Cl)nc4)CC3)C2=O)cn1 ZINC000789316071 1077511560 /nfs/dbraw/zinc/51/15/60/1077511560.db2.gz WUBTVWQCWNVHMR-SFHVURJKSA-N 0 1 403.914 2.755 20 0 HFADMN COC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000746806164 1077556217 /nfs/dbraw/zinc/55/62/17/1077556217.db2.gz CMIKQEPMGCZNKO-HXUWFJFHSA-N 0 1 424.501 2.926 20 0 HFADMN COC(=O)Nc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000746808364 1077566101 /nfs/dbraw/zinc/56/61/01/1077566101.db2.gz SWYJOKFZWBDKMF-HXUWFJFHSA-N 0 1 424.501 2.926 20 0 HFADMN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000791834290 1077578319 /nfs/dbraw/zinc/57/83/19/1077578319.db2.gz GIBPOCSKDFRXHV-CQSZACIVSA-N 0 1 421.542 2.614 20 0 HFADMN CS(=O)(=O)c1cccc(C(=O)COC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 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CC(C)(C)c1cc(CS(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)no1 ZINC000790213249 1077971844 /nfs/dbraw/zinc/97/18/44/1077971844.db2.gz MMYINJKZPZEQCY-INIZCTEOSA-N 0 1 406.426 2.842 20 0 HFADMN COCC1(C(=O)OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCC1 ZINC000792690432 1077975977 /nfs/dbraw/zinc/97/59/77/1077975977.db2.gz HHCVXJKKXFXJBN-GOSISDBHSA-N 0 1 408.926 2.953 20 0 HFADMN CCOC(=O)C1C(COC(=O)c2cc(OC)cs2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000747084013 1077977933 /nfs/dbraw/zinc/97/79/33/1077977933.db2.gz QGTQDRACVMZYQF-QGZVFWFLSA-N 0 1 416.455 2.785 20 0 HFADMN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(N2CCC2=O)c1 ZINC000790350536 1078001843 /nfs/dbraw/zinc/00/18/43/1078001843.db2.gz INTASBXITKFDBO-UHFFFAOYSA-N 0 1 411.277 2.995 20 0 HFADMN O=C(CN1CC(O)(c2ccc(F)cc2)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000792876413 1078015715 /nfs/dbraw/zinc/01/57/15/1078015715.db2.gz XDZJKWPHBJPICE-UHFFFAOYSA-N 0 1 408.355 2.863 20 0 HFADMN CCOC(=O)C1C(CN2CCC(c3c[nH]nc3C)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000792927059 1078027528 /nfs/dbraw/zinc/02/75/28/1078027528.db2.gz QYCBHUIUXVRZPE-OAQYLSRUSA-N 0 1 423.517 2.769 20 0 HFADMN O=C(C[NH+]1CCN(c2cccc(Br)c2)CC1)[N-]OCc1ccccc1 ZINC000792934183 1078028615 /nfs/dbraw/zinc/02/86/15/1078028615.db2.gz UFGIOTAYTWXTGW-UHFFFAOYSA-N 0 1 404.308 2.819 20 0 HFADMN NC(=O)c1ccccc1NC(=O)CN[C@@H](c1cncc(Br)c1)C1CC1 ZINC000792934071 1078028768 /nfs/dbraw/zinc/02/87/68/1078028768.db2.gz KYAQQEAKCNUNCF-QGZVFWFLSA-N 0 1 403.280 2.622 20 0 HFADMN C[C@H](NC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)c1nnnn1C1CC1 ZINC000790436770 1078030528 /nfs/dbraw/zinc/03/05/28/1078030528.db2.gz KFSGJJFFUAYDJH-BNLOLNQZSA-N 0 1 421.908 2.854 20 0 HFADMN C[C@@H]1CN(C[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000792973967 1078030496 /nfs/dbraw/zinc/03/04/96/1078030496.db2.gz PFIODEZOOSTVIW-OAGGEKHMSA-N 0 1 401.548 2.592 20 0 HFADMN C[C@H](O)C[C@H]1CCCCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438867 1078031422 /nfs/dbraw/zinc/03/14/22/1078031422.db2.gz NUHOZYPZXNTOEQ-ZWKOTPCHSA-N 0 1 413.518 2.798 20 0 HFADMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792948433 1078032488 /nfs/dbraw/zinc/03/24/88/1078032488.db2.gz UWOCZQCTVWGRNI-OAHLLOKOSA-N 0 1 417.307 2.736 20 0 HFADMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792949364 1078032708 /nfs/dbraw/zinc/03/27/08/1078032708.db2.gz ZZFYRDYNWWMETH-LBPRGKRZSA-N 0 1 423.336 2.797 20 0 HFADMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)nc1Br ZINC000792964373 1078037023 /nfs/dbraw/zinc/03/70/23/1078037023.db2.gz JYKMDQWDVNKGAU-CQSZACIVSA-N 0 1 423.286 2.649 20 0 HFADMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(Br)n2)C1 ZINC000792969871 1078039326 /nfs/dbraw/zinc/03/93/26/1078039326.db2.gz RZFSLBFYQKHWBT-UKRRQHHQSA-N 0 1 417.307 2.734 20 0 HFADMN COCC[S@@](=O)Cc1cccc(NC(=O)N2CC(N(C)Cc3ccccc3)C2)c1 ZINC000806274867 1079536549 /nfs/dbraw/zinc/53/65/49/1079536549.db2.gz OTLFGEOFMNSXTA-GDLZYMKVSA-N 0 1 415.559 2.930 20 0 HFADMN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000806308400 1079562460 /nfs/dbraw/zinc/56/24/60/1079562460.db2.gz SVUHGKHOVYLACE-UYAOXDASSA-N 0 1 420.554 2.998 20 0 HFADMN CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000806310807 1079564720 /nfs/dbraw/zinc/56/47/20/1079564720.db2.gz JBOPXFHQZJXIIF-ICSRJNTNSA-N 0 1 418.538 2.752 20 0 HFADMN CCOC(=O)C1C(COC(=O)C2(C)CCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000806315077 1079567005 /nfs/dbraw/zinc/56/70/05/1079567005.db2.gz IJMQIFXLIVVPRX-SFHVURJKSA-N 0 1 416.474 2.990 20 0 HFADMN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)CCC2 ZINC000806295986 1079583358 /nfs/dbraw/zinc/58/33/58/1079583358.db2.gz VMYRHSWVNAOYPX-OALUTQOASA-N 0 1 415.513 2.516 20 0 HFADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000806318936 1079590260 /nfs/dbraw/zinc/59/02/60/1079590260.db2.gz ACHYVCTVVPURAR-KRWDZBQOSA-N 0 1 424.423 2.721 20 0 HFADMN C[C@@H](NC(=O)N1CC(N(C)Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473420 1079703373 /nfs/dbraw/zinc/70/33/73/1079703373.db2.gz QFJKOXJUPJHYSY-MRXNPFEDSA-N 0 1 416.547 2.645 20 0 HFADMN COCCN1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)C(C)(C)C1 ZINC001130635486 1079724785 /nfs/dbraw/zinc/72/47/85/1079724785.db2.gz BZLDDAMRTHWUQM-IBGZPJMESA-N 0 1 401.551 2.534 20 0 HFADMN CCCc1ccc(N2C[C@@H](C(=O)N3CCN(CCOC)CC3(C)C)CC2=O)cc1 ZINC001130635759 1079726283 /nfs/dbraw/zinc/72/62/83/1079726283.db2.gz OLPKHOACXVIXNB-IBGZPJMESA-N 0 1 401.551 2.561 20 0 HFADMN O=C(Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1)[C@@H]1CCCC12OCCO2 ZINC000806581255 1079812721 /nfs/dbraw/zinc/81/27/21/1079812721.db2.gz SJEPXWSNHLJEJC-NRFANRHFSA-N 0 1 422.529 2.886 20 0 HFADMN CC(C)(C)OC(=O)CS(=O)(=O)CCSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000806581939 1079813684 /nfs/dbraw/zinc/81/36/84/1079813684.db2.gz FRTZPTOEEWNIFW-MDZDMXLPSA-N 0 1 409.533 2.824 20 0 HFADMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)[C@@H]2CCCC23OCCO3)c1 ZINC000806730655 1079954604 /nfs/dbraw/zinc/95/46/04/1079954604.db2.gz XQACQCJDWPLTPC-IBGZPJMESA-N 0 1 401.507 2.983 20 0 HFADMN CNC(=O)OC[C@H]1CCCCN1C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000806769260 1079988573 /nfs/dbraw/zinc/98/85/73/1079988573.db2.gz HCSRTTQORUJADK-GOSISDBHSA-N 0 1 424.586 2.720 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000747353135 1080024743 /nfs/dbraw/zinc/02/47/43/1080024743.db2.gz PQNGSTWUNKSPOT-LLVKDONJSA-N 0 1 410.594 2.643 20 0 HFADMN Cc1ncc2c(n1)CCC[C@@H]2NC(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000806823436 1080040142 /nfs/dbraw/zinc/04/01/42/1080040142.db2.gz UWQNQIRWZFEEKL-QHCPKHFHSA-N 0 1 422.577 2.622 20 0 HFADMN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000806827279 1080041615 /nfs/dbraw/zinc/04/16/15/1080041615.db2.gz PGKYOIKUASOVIP-MRXNPFEDSA-N 0 1 418.473 2.763 20 0 HFADMN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000806827279 1080041626 /nfs/dbraw/zinc/04/16/26/1080041626.db2.gz PGKYOIKUASOVIP-MRXNPFEDSA-N 0 1 418.473 2.763 20 0 HFADMN CCOC(=O)C[C@@H](NC(=O)CSc1n[nH]c(=S)s1)c1ccc(F)cc1 ZINC000747366803 1080186069 /nfs/dbraw/zinc/18/60/69/1080186069.db2.gz MLMXHCWCIZBODY-LLVKDONJSA-N 0 1 401.510 2.869 20 0 HFADMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)CC1 ZINC000807007331 1080207391 /nfs/dbraw/zinc/20/73/91/1080207391.db2.gz GDQSEZOLDLUPLV-YLJYHZDGSA-N 0 1 417.554 2.869 20 0 HFADMN Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000747371319 1080284844 /nfs/dbraw/zinc/28/48/44/1080284844.db2.gz ZATHZMRZZCLJIA-CYBMUJFWSA-N 0 1 407.458 2.717 20 0 HFADMN COc1ccc(CCNC(=O)CSc2n[nH]c(=S)s2)cc1OC(F)F ZINC000747372352 1080289817 /nfs/dbraw/zinc/28/98/17/1080289817.db2.gz DYFUKGCMCRRCKD-UHFFFAOYSA-N 0 1 407.489 2.888 20 0 HFADMN CCc1nocc1C[N@@H+](C)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001170518909 1080310985 /nfs/dbraw/zinc/31/09/85/1080310985.db2.gz JSUJLQBCNGRWFV-SFHVURJKSA-N 0 1 411.424 2.849 20 0 HFADMN CCc1nocc1CN(C)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 ZINC001170518909 1080310991 /nfs/dbraw/zinc/31/09/91/1080310991.db2.gz JSUJLQBCNGRWFV-SFHVURJKSA-N 0 1 411.424 2.849 20 0 HFADMN CN(C[C@H]1CCN(C(=O)CSc2n[nH]c(=S)s2)C1)C(=O)OC(C)(C)C ZINC000747380678 1080387474 /nfs/dbraw/zinc/38/74/74/1080387474.db2.gz NNVOBJJDSHZNNI-SNVBAGLBSA-N 0 1 404.583 2.634 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)CSc2n[nH]c(=S)s2)C1 ZINC000747383937 1080443829 /nfs/dbraw/zinc/44/38/29/1080443829.db2.gz OJBJMPWPQFAHSR-SNVBAGLBSA-N 0 1 404.583 2.682 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000747390985 1080478294 /nfs/dbraw/zinc/47/82/94/1080478294.db2.gz SXEDCPISNIFTEO-JTQLQIEISA-N 0 1 416.544 2.978 20 0 HFADMN CC[C@@H](C)N[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)c1ccco1 ZINC000807310999 1080504333 /nfs/dbraw/zinc/50/43/33/1080504333.db2.gz XDCKBTIMMSYCFF-YPMHNXCESA-N 0 1 409.284 2.621 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000807358645 1080520583 /nfs/dbraw/zinc/52/05/83/1080520583.db2.gz AXGXAISORWVMTK-UHFFFAOYSA-N 0 1 416.566 2.832 20 0 HFADMN CCCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CSC[C@@H]3C)cc2Cl)CC1 ZINC000807349910 1080556236 /nfs/dbraw/zinc/55/62/36/1080556236.db2.gz NYVGOVRYVKEESE-WMLDXEAASA-N 0 1 424.998 2.678 20 0 HFADMN CSCc1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000807378253 1080575236 /nfs/dbraw/zinc/57/52/36/1080575236.db2.gz ZANDPJSCQTYSBG-UHFFFAOYSA-N 0 1 412.559 2.556 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2ccc(OC(F)(F)Cl)cc2)ccc1O ZINC000807384274 1080578997 /nfs/dbraw/zinc/57/89/97/1080578997.db2.gz CVVCEQILKITWGK-UHFFFAOYSA-N 0 1 406.794 2.721 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)cc2Br)ccc1O ZINC000807384481 1080580320 /nfs/dbraw/zinc/58/03/20/1080580320.db2.gz MKEKEPVXSSMNDS-UHFFFAOYSA-N 0 1 421.219 2.593 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)c2cccc(-c3nc(C)cs3)c2)ccc1O ZINC000807385383 1080581326 /nfs/dbraw/zinc/58/13/26/1080581326.db2.gz GFBBIGGTRZQSFZ-UHFFFAOYSA-N 0 1 403.485 2.985 20 0 HFADMN C[C@@H](O)c1cc(NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)ccc1F ZINC000807399907 1080595104 /nfs/dbraw/zinc/59/51/04/1080595104.db2.gz OTQRNBBGBGCXEJ-KZULUSFZSA-N 0 1 401.438 2.841 20 0 HFADMN C[C@@H]1CCN(C(=O)C(=O)NCC[C@@](C)(O)c2ccccc2)CCN1Cc1ccccc1 ZINC000807496492 1080692662 /nfs/dbraw/zinc/69/26/62/1080692662.db2.gz KTLVFBUWEFVYIF-CJFMBICVSA-N 0 1 423.557 2.523 20 0 HFADMN COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1F ZINC000807510339 1080713865 /nfs/dbraw/zinc/71/38/65/1080713865.db2.gz UVQMEOQXSMAQHA-SFHVURJKSA-N 0 1 417.481 2.979 20 0 HFADMN CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1C ZINC000807544564 1080761683 /nfs/dbraw/zinc/76/16/83/1080761683.db2.gz VWKLQKNYDWRFJR-IIBYNOLFSA-N 0 1 408.502 2.671 20 0 HFADMN CC(C)(C)OC(=O)NC1CCC(NC(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000747401582 1080764925 /nfs/dbraw/zinc/76/49/25/1080764925.db2.gz BKUPOUCZYIIRPV-UHFFFAOYSA-N 0 1 404.583 2.871 20 0 HFADMN NS(=O)(=O)c1cc(Cl)cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC001308040329 1126162933 /nfs/dbraw/zinc/16/29/33/1126162933.db2.gz UMWNNBLMIOPJPF-HOTGVXAUSA-N 0 1 422.856 2.612 20 0 HFADMN CN1CCN(c2cccc(N3CCO[C@@H]4[C@H](OCC5CCCC5)CC[C@@H]43)n2)CC1 ZINC001164659678 719343314 /nfs/dbraw/zinc/34/33/14/719343314.db2.gz DOUAURUSOLYAMJ-MZKRTTBSSA-N 0 1 400.567 2.776 20 0 HFADMN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164683403 719694848 /nfs/dbraw/zinc/69/48/48/719694848.db2.gz FUVDLFAVOLFYNW-OAHLLOKOSA-N 0 1 417.941 2.990 20 0 HFADMN COC(=O)c1c(Cl)cnc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1OC ZINC001164727059 720424961 /nfs/dbraw/zinc/42/49/61/720424961.db2.gz CXGAJRKAIXRWHI-JKSUJKDBSA-N 0 1 402.882 2.778 20 0 HFADMN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728279 720486846 /nfs/dbraw/zinc/48/68/46/720486846.db2.gz OXBHQVYITMWGDD-UONOGXRCSA-N 0 1 409.824 2.621 20 0 HFADMN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728279 720486852 /nfs/dbraw/zinc/48/68/52/720486852.db2.gz OXBHQVYITMWGDD-UONOGXRCSA-N 0 1 409.824 2.621 20 0 HFADMN CCOC(=O)c1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncc1Cl ZINC001164733102 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HFADMN COc1ccc(C(F)(F)N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1Cl ZINC001164773730 721151093 /nfs/dbraw/zinc/15/10/93/721151093.db2.gz YUXFDCKEWWSVSA-LSDHHAIUSA-N 0 1 411.884 2.980 20 0 HFADMN COC(=O)c1cc(Cl)c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1C ZINC001164760506 721236533 /nfs/dbraw/zinc/23/65/33/721236533.db2.gz FIRCPDFGEVWTQT-CVEARBPZSA-N 0 1 403.914 2.522 20 0 HFADMN CCCSc1ncnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1OC ZINC001164760285 721242508 /nfs/dbraw/zinc/24/25/08/721242508.db2.gz DGBCEXYFPIUMFN-DLBZAZTESA-N 0 1 402.568 2.679 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN([C@@H](F)Oc4ccnc(Cl)c4)C3)O2)CC1 ZINC001164886299 721398709 /nfs/dbraw/zinc/39/87/09/721398709.db2.gz DZKCLVAJQNWCGL-DFQSSKMNSA-N 0 1 412.937 2.628 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5[nH]ccc5cc4Cl)C3)O2)CC1 ZINC001164885809 721420241 /nfs/dbraw/zinc/42/02/41/721420241.db2.gz HMVSCWMSCDJIGV-UWJYYQICSA-N 0 1 403.958 2.933 20 0 HFADMN Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc(-c2ccccn2)n1 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409.571 2.735 20 0 HFADMN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000793292106 1078120174 /nfs/dbraw/zinc/12/01/74/1078120174.db2.gz YNUOGYCGTKCWAY-HOTGVXAUSA-N 0 1 400.425 2.789 20 0 HFADMN C[C@@H]1CN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000793346040 1078131881 /nfs/dbraw/zinc/13/18/81/1078131881.db2.gz QBFRHKJOGLSLPD-NSHDSACASA-N 0 1 404.891 2.672 20 0 HFADMN O=C([C@@H]1CC(c2cccnc2)=NO1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000790857431 1078152551 /nfs/dbraw/zinc/15/25/51/1078152551.db2.gz RMRMXQMMUIOSAF-HKUYNNGSSA-N 0 1 402.458 2.766 20 0 HFADMN CCc1nc([C@@H](C)NC(=O)c2nc(Br)ccc2Br)n[nH]1 ZINC000790834445 1078160656 /nfs/dbraw/zinc/16/06/56/1078160656.db2.gz CCPLCFCISQYAPG-ZCFIWIBFSA-N 0 1 403.078 2.778 20 0 HFADMN C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCOCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793533571 1078205811 /nfs/dbraw/zinc/20/58/11/1078205811.db2.gz JHFJQPBGJJDMKL-HKUYNNGSSA-N 0 1 409.571 2.593 20 0 HFADMN CN(Cc1cccc(I)c1)[C@H]1CCN(CC(F)(F)F)C1=O 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HFADMN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1ccc(Br)cn1 ZINC000794165788 1078379440 /nfs/dbraw/zinc/37/94/40/1078379440.db2.gz ZAXAMOBSXZCZMU-SECBINFHSA-N 0 1 419.304 2.871 20 0 HFADMN O=C(N[C@H]1[C@@H]2COC[C@@H]21)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000794226835 1078387892 /nfs/dbraw/zinc/38/78/92/1078387892.db2.gz IUAVVJJHRRPISF-HALDLXJZSA-N 0 1 410.854 2.655 20 0 HFADMN CC[C@@H](Cc1ccc2c(c1)OCO2)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001170443959 1078391942 /nfs/dbraw/zinc/39/19/42/1078391942.db2.gz SATLEKJWJASPPC-CVDCTZTESA-N 0 1 410.518 2.898 20 0 HFADMN CC(C)CN1CCO[C@H](COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)C1 ZINC000794387188 1078433357 /nfs/dbraw/zinc/43/33/57/1078433357.db2.gz WOLQMHQQSKWWGL-MSOLQXFVSA-N 0 1 408.926 2.589 20 0 HFADMN CCCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)no1 ZINC001129416523 1078447273 /nfs/dbraw/zinc/44/72/73/1078447273.db2.gz LZGBXLNDNQJXMN-UHFFFAOYSA-N 0 1 401.448 2.779 20 0 HFADMN CS(=O)(=O)Nc1ccc(C(=O)NCCOc2ccc(Cl)c(Cl)c2)cn1 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/nfs/dbraw/zinc/52/61/81/1078526181.db2.gz HCDYXUUAJFNOMP-ZFWWWQNUSA-N 0 1 403.458 2.960 20 0 HFADMN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000804666966 1078527024 /nfs/dbraw/zinc/52/70/24/1078527024.db2.gz HCDYXUUAJFNOMP-UKRRQHHQSA-N 0 1 403.458 2.960 20 0 HFADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C2CN(C(=O)C3CCCCC3)C2)c1 ZINC001129548853 1078539703 /nfs/dbraw/zinc/53/97/03/1078539703.db2.gz XTFLZTZIYQJBIX-UHFFFAOYSA-N 0 1 414.550 2.944 20 0 HFADMN Cc1ccccc1[C@@H](O)C1CCN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000804511222 1078545867 /nfs/dbraw/zinc/54/58/67/1078545867.db2.gz LJNIMOPCLDCVNS-AOMKIAJQSA-N 0 1 420.513 2.962 20 0 HFADMN CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCOC[C@H]3CC(F)F)[nH]n2)C1 ZINC000804722556 1078561745 /nfs/dbraw/zinc/56/17/45/1078561745.db2.gz IYDBMIASIXNARZ-QWHCGFSZSA-N 0 1 414.453 2.630 20 0 HFADMN CN(C)S(=O)(=O)c1cc(C(=O)N2CC(N(C)Cc3ccccc3)C2)ccc1Cl ZINC000804530211 1078567503 /nfs/dbraw/zinc/56/75/03/1078567503.db2.gz AQQVDVRBOPSRJS-UHFFFAOYSA-N 0 1 421.950 2.547 20 0 HFADMN CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000804536701 1078584468 /nfs/dbraw/zinc/58/44/68/1078584468.db2.gz ZOJSUKKGWIXXQQ-PXNSSMCTSA-N 0 1 411.468 2.814 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl ZINC000804567410 1078601703 /nfs/dbraw/zinc/60/17/03/1078601703.db2.gz QTIJFLFRNSJIRU-UHFFFAOYSA-N 0 1 407.989 2.695 20 0 HFADMN CC1(C)NC(=O)N(CC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1=O ZINC001129631398 1078604444 /nfs/dbraw/zinc/60/44/44/1078604444.db2.gz OPSLVJJUEZWXFC-AWEZNQCLSA-N 0 1 403.870 2.600 20 0 HFADMN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3ccc(O)c(Cl)c3)C2)CC1 ZINC000804761882 1078614973 /nfs/dbraw/zinc/61/49/73/1078614973.db2.gz NRSKLPZEDWRENX-OAHLLOKOSA-N 0 1 409.914 2.813 20 0 HFADMN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc2cncn2c1 ZINC001129665354 1078625512 /nfs/dbraw/zinc/62/55/12/1078625512.db2.gz CMXSFIMKCHRXKJ-UHFFFAOYSA-N 0 1 412.515 2.747 20 0 HFADMN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC001129679460 1078643359 /nfs/dbraw/zinc/64/33/59/1078643359.db2.gz NXFXOTILBDZFRB-SFHVURJKSA-N 0 1 424.471 2.641 20 0 HFADMN CSCC[C@H](NC(=O)CSc1n[nH]c(=S)s1)c1nnc2ccccn21 ZINC000747201998 1078647513 /nfs/dbraw/zinc/64/75/13/1078647513.db2.gz QUEADUKSUIAZQR-VIFPVBQESA-N 0 1 412.591 2.572 20 0 HFADMN CCN(C)c1ccccc1CNC(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000804832769 1078672252 /nfs/dbraw/zinc/67/22/52/1078672252.db2.gz VDMAXVZPLRTYRD-NRFANRHFSA-N 0 1 408.546 2.540 20 0 HFADMN CCN(CC)c1ccc(NC(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)cc1 ZINC000747202521 1078677484 /nfs/dbraw/zinc/67/74/84/1078677484.db2.gz KCXKIASSXMCBGB-UHFFFAOYSA-N 0 1 408.388 2.811 20 0 HFADMN CN(Cc1ccccc1)Cc1cccc(C(=O)Nc2n[nH]nc2C(=O)NC2CC2)c1 ZINC001129738246 1078686456 /nfs/dbraw/zinc/68/64/56/1078686456.db2.gz BNWSTFKGNONPHM-UHFFFAOYSA-N 0 1 404.474 2.581 20 0 HFADMN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)CCCN(C)Cc3ccco3)C2)c1 ZINC000804868108 1078692344 /nfs/dbraw/zinc/69/23/44/1078692344.db2.gz VVUQBRNFHUTESN-NRFANRHFSA-N 0 1 415.490 2.770 20 0 HFADMN COc1cccc([C@H](NC(=O)CSc2n[nH]c(=S)s2)c2nccn2C)c1 ZINC000747203554 1078702111 /nfs/dbraw/zinc/70/21/11/1078702111.db2.gz ZUGWHRRAHNVKSA-ZDUSSCGKSA-N 0 1 407.546 2.567 20 0 HFADMN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NC[C@H](C)N2CCc3ccccc3C2)C1 ZINC000804896628 1078752791 /nfs/dbraw/zinc/75/27/91/1078752791.db2.gz SHOQYGYIIYDHDV-LIRRHRJNSA-N 0 1 413.440 2.570 20 0 HFADMN CCC(CC)[C@H](CNC(=O)NCc1cccc(NC(=O)OC)c1)N1CCOCC1 ZINC000804902458 1078757918 /nfs/dbraw/zinc/75/79/18/1078757918.db2.gz HEIBJFLIMSDOGL-IBGZPJMESA-N 0 1 406.527 2.801 20 0 HFADMN CN(C)CCN(CCc1ccccc1)S(=O)(=O)c1cccnc1C(F)(F)F ZINC000804951653 1078779503 /nfs/dbraw/zinc/77/95/03/1078779503.db2.gz WAAWEJLZNURPGP-UHFFFAOYSA-N 0 1 401.454 2.895 20 0 HFADMN Cc1nc(Cl)ccc1S(=O)(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000804957573 1078797899 /nfs/dbraw/zinc/79/78/99/1078797899.db2.gz LQLOGYCPVQMVGG-UHFFFAOYSA-N 0 1 422.982 2.924 20 0 HFADMN 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CS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000791940472 1077600467 /nfs/dbraw/zinc/60/04/67/1077600467.db2.gz UEINQBNBVSZYCI-CALCHBBNSA-N 0 1 418.946 2.948 20 0 HFADMN O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)[N-]S(=O)(=O)c1ncccc1F ZINC000791947502 1077604832 /nfs/dbraw/zinc/60/48/32/1077604832.db2.gz MDFUSHKOZXYFGV-UHFFFAOYSA-N 0 1 413.474 2.728 20 0 HFADMN CCC[C@H](NC(=O)NCc1ccc(N2CCN(C)CC2)nc1)[C@H](O)c1ccccc1 ZINC000792006816 1077646430 /nfs/dbraw/zinc/64/64/30/1077646430.db2.gz OIDDSXDYWAFBJL-RBBKRZOGSA-N 0 1 411.550 2.535 20 0 HFADMN COc1ccc(OC)c(C2=NO[C@H](C(=O)NC[C@H](c3cccs3)N(C)C)C2)c1 ZINC000792031137 1077658368 /nfs/dbraw/zinc/65/83/68/1077658368.db2.gz VNSTWBAFXKJTHD-AEFFLSMTSA-N 0 1 403.504 2.677 20 0 HFADMN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000746828072 1077668198 /nfs/dbraw/zinc/66/81/98/1077668198.db2.gz JJDKUEKYXIZCGH-LJQANCHMSA-N 0 1 418.582 2.818 20 0 HFADMN NC(=O)C1=NO[C@H](CNCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)C1 ZINC000789561763 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20 0 HFADMN Nc1cc(Cl)nc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164866009 721102488 /nfs/dbraw/zinc/10/24/88/721102488.db2.gz RADXAHJNYAUUOS-JKSUJKDBSA-N 0 1 409.868 2.737 20 0 HFADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)COc4ccnc(Cl)c4)C[C@H]3C2)cn1 ZINC001164769181 721123655 /nfs/dbraw/zinc/12/36/55/721123655.db2.gz PRFWRWWXQUXJST-JKSUJKDBSA-N 0 1 411.884 2.894 20 0 HFADMN COc1cccc(-c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164773826 721168575 /nfs/dbraw/zinc/16/85/75/721168575.db2.gz XIVVKWLFHOQMST-PMACEKPBSA-N 0 1 404.518 2.844 20 0 HFADMN Cn1cc(CN2CC[C@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@@H]3C2)cn1 ZINC001164772911 721178850 /nfs/dbraw/zinc/17/88/50/721178850.db2.gz VZLVFLLFQLXQTQ-SFTDATJTSA-N 0 1 400.530 2.934 20 0 HFADMN Cn1cc(CN2CC[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@H]3C2)cn1 ZINC001164772908 721179073 /nfs/dbraw/zinc/17/90/73/721179073.db2.gz VZLVFLLFQLXQTQ-NHCUHLMSSA-N 0 1 400.530 2.934 20 0 HFADMN CCOc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c1 ZINC001164889906 721409019 /nfs/dbraw/zinc/40/90/19/721409019.db2.gz RVOVGLWRUZTXLG-DYESRHJHSA-N 0 1 408.974 2.899 20 0 HFADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896694 721438037 /nfs/dbraw/zinc/43/80/37/721438037.db2.gz RTTUZHSMSMEGCJ-GCJKJVERSA-N 0 1 413.591 2.971 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889568 721440246 /nfs/dbraw/zinc/44/02/46/721440246.db2.gz BTWLBYRHHRUGCV-DHLKQENFSA-N 0 1 421.589 2.833 20 0 HFADMN CC(C)Sc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nn1 ZINC001164888799 721442260 /nfs/dbraw/zinc/44/22/60/721442260.db2.gz AZQHIUPEWDSHOD-NQIIRXRSSA-N 0 1 405.612 2.743 20 0 HFADMN CN1CCN(Cc2cn3c(n2)CN(c2nc(Cl)cc4cc(F)ccc42)CC3)CC1 ZINC001164794682 721508333 /nfs/dbraw/zinc/50/83/33/721508333.db2.gz CXHLYBGEHUVQNZ-UHFFFAOYSA-N 0 1 414.916 2.991 20 0 HFADMN CC[C@H](C)c1nc(Cl)c(C)c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164795193 721521195 /nfs/dbraw/zinc/52/11/95/721521195.db2.gz 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C[C@H]1[C@@H](NC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CCN1Cc1ccccc1 ZINC000807543311 1080758754 /nfs/dbraw/zinc/75/87/54/1080758754.db2.gz FINOVWVNOVGCGZ-ZFWWWQNUSA-N 0 1 406.408 2.818 20 0 HFADMN C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(Br)nc2)CCN1Cc1ccccc1 ZINC000807542863 1080759183 /nfs/dbraw/zinc/75/91/83/1080759183.db2.gz FVTDJTTYNGMSJB-XJKSGUPXSA-N 0 1 417.307 2.562 20 0 HFADMN COC(=O)N(C)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC000807543551 1080760940 /nfs/dbraw/zinc/76/09/40/1080760940.db2.gz IQESSYBYVMTGMS-UZLBHIALSA-N 0 1 424.501 2.607 20 0 HFADMN CC(C)Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(C)c2C2CC2)N(C)C)cc1 ZINC000807524276 1080776777 /nfs/dbraw/zinc/77/67/77/1080776777.db2.gz DUZPRSUPQQSBOR-FQEVSTJZSA-N 0 1 411.550 2.854 20 0 HFADMN CC(C)Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccnn2CC2CC2)N(C)C)cc1 ZINC000807525120 1080777666 /nfs/dbraw/zinc/77/76/66/1080777666.db2.gz VTPAVBRZGCZNFD-HXUWFJFHSA-N 0 1 411.550 2.849 20 0 HFADMN Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N-]S(=O)(=O)C(F)(F)F 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c1ccc(CSc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164746696 720797943 /nfs/dbraw/zinc/79/79/43/720797943.db2.gz MQJYXACDJXPHPZ-MOPGFXCFSA-N 0 1 420.542 2.901 20 0 HFADMN Nc1cc(Cl)ncc1C(F)(F)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867634 721094147 /nfs/dbraw/zinc/09/41/47/721094147.db2.gz YZBUSVUDPSWTJM-CABCVRRESA-N 0 1 409.868 2.737 20 0 HFADMN Nc1cc(Cl)nc(C(F)(F)N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164866008 721103157 /nfs/dbraw/zinc/10/31/57/721103157.db2.gz RADXAHJNYAUUOS-HZPDHXFCSA-N 0 1 409.868 2.737 20 0 HFADMN Cn1cc(CN2CC[C@@H]3CN(c4ncc5c(n4)-c4ccccc4CC5)C[C@@H]3C2)cn1 ZINC001164772909 721178169 /nfs/dbraw/zinc/17/81/69/721178169.db2.gz VZLVFLLFQLXQTQ-RTWAWAEBSA-N 0 1 400.530 2.934 20 0 HFADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C[C@@H]3C2)cn1 ZINC001164770819 721212585 /nfs/dbraw/zinc/21/25/85/721212585.db2.gz ORRSYWAZJRXSEC-KBPBESRZSA-N 0 1 421.883 2.848 20 0 HFADMN CN(C)C(=O)CN1CCOCC2(CCN(c3nccc4cccc(Cl)c43)CC2)C1 ZINC001164874315 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721397715 /nfs/dbraw/zinc/39/77/15/721397715.db2.gz PCQJWXBDRYXNNX-CVDCTZTESA-N 0 1 413.541 2.843 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(C5CC5)n4)C3)O2)CC1 ZINC001164883490 721414410 /nfs/dbraw/zinc/41/44/10/721414410.db2.gz ACSPWRQXUHEJSN-UWJYYQICSA-N 0 1 405.974 2.773 20 0 HFADMN CSc1cnc(Cl)nc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164884034 721415812 /nfs/dbraw/zinc/41/58/12/721415812.db2.gz CZYUVDJXDNATMV-BEFAXECRSA-N 0 1 412.003 2.617 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(Cc5ccccc5)n4)C3)O2)CC1 ZINC001164889571 721440338 /nfs/dbraw/zinc/44/03/38/721440338.db2.gz BTWLBYRHHRUGCV-WIOPSUGQSA-N 0 1 421.589 2.833 20 0 HFADMN CCOC(=O)c1ccc(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164794479 721523867 /nfs/dbraw/zinc/52/38/67/721523867.db2.gz DTMYILJUYIAZBM-QHAWAJNXSA-N 0 1 410.518 2.830 20 0 HFADMN COc1cccc2c1ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164806167 721538492 /nfs/dbraw/zinc/53/84/92/721538492.db2.gz OFTAMZNJFOGMCT-IPJJNNNSSA-N 0 1 405.502 2.902 20 0 HFADMN COc1ccc2c(c1)ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164810480 721554003 /nfs/dbraw/zinc/55/40/03/721554003.db2.gz YLELSKGWFQOGLQ-FSSWDIPSSA-N 0 1 405.502 2.902 20 0 HFADMN CN(C)C(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164907574 721555767 /nfs/dbraw/zinc/55/57/67/721555767.db2.gz OOTLUBPQIIWABX-SJLPKXTDSA-N 0 1 418.900 2.918 20 0 HFADMN [O-][n+]1ccc(C(F)(F)N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1Cl ZINC001164911278 721566914 /nfs/dbraw/zinc/56/69/14/721566914.db2.gz YNIRAFBPPHDNNA-NVXWUHKLSA-N 0 1 413.827 2.999 20 0 HFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@H]2CCCO[C@H]12 ZINC001164800294 721573503 /nfs/dbraw/zinc/57/35/03/721573503.db2.gz DOQLUTIXDVLGBT-ZNMIVQPWSA-N 0 1 414.560 2.638 20 0 HFADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc[nH]c3nc(=S)sc2-3)[C@H]2CCCO[C@@H]12 ZINC001164800292 721573912 /nfs/dbraw/zinc/57/39/12/721573912.db2.gz DOQLUTIXDVLGBT-RRFJBIMHSA-N 0 1 414.560 2.638 20 0 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FBLRSLQBFGWFAO-OKILXGFUSA-N 0 1 415.494 2.666 20 0 HFADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792232348 1077756151 /nfs/dbraw/zinc/75/61/51/1077756151.db2.gz KKBHOWKGZFTLRT-DZGCQCFKSA-N 0 1 415.494 2.572 20 0 HFADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000792233598 1077756594 /nfs/dbraw/zinc/75/65/94/1077756594.db2.gz YLFCERSBBZQYBN-OAHLLOKOSA-N 0 1 415.494 2.716 20 0 HFADMN CCOC(=O)c1nc(NS(=O)(=O)C=Cc2ccc(Br)cc2)c[nH]1 ZINC000789739898 1077774285 /nfs/dbraw/zinc/77/42/85/1077774285.db2.gz ORFVBIFCMZTGDZ-BQYQJAHWSA-N 0 1 400.254 2.762 20 0 HFADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000792277973 1077791670 /nfs/dbraw/zinc/79/16/70/1077791670.db2.gz YAVBBRJZVJUTJZ-HNNXBMFYSA-N 0 1 415.494 2.716 20 0 HFADMN Cc1cc2[nH]ncc2cc1NC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000792295128 1077793675 /nfs/dbraw/zinc/79/36/75/1077793675.db2.gz LGNFEFDDMAZUDE-UKRRQHHQSA-N 0 1 415.494 2.714 20 0 HFADMN CN1CCN(c2ccccc2NC(=O)C(=O)N2CCc3cc(Cl)ccc3C2)CC1 ZINC000792297498 1077794432 /nfs/dbraw/zinc/79/44/32/1077794432.db2.gz CYAGAOFSBGEEIE-UHFFFAOYSA-N 0 1 412.921 2.615 20 0 HFADMN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000792312446 1077802222 /nfs/dbraw/zinc/80/22/22/1077802222.db2.gz AOIHOZVJSRARBX-GDBMZVCRSA-N 0 1 402.499 2.839 20 0 HFADMN O=C(NC[C@H]1CCCN1C(=O)c1n[nH]c2c1CCCCC2)c1[nH]nc2c1CCCCC2 ZINC000789818665 1077826478 /nfs/dbraw/zinc/82/64/78/1077826478.db2.gz YVHZKSDYKHVEGP-OAHLLOKOSA-N 0 1 424.549 2.705 20 0 HFADMN CCn1cc([C@H](O)CN(Cc2ccccc2)[C@H]2CCN(CC(F)(F)F)C2=O)cn1 ZINC000792376851 1077828152 /nfs/dbraw/zinc/82/81/52/1077828152.db2.gz ONRUBEMNUWWZEC-ZWKOTPCHSA-N 0 1 410.440 2.602 20 0 HFADMN C[C@H]1CN(c2ccccc2F)CCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000789870288 1077844709 /nfs/dbraw/zinc/84/47/09/1077844709.db2.gz JYBZGOIPGOXDLD-ZDUSSCGKSA-N 0 1 412.490 2.712 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000789912237 1077845522 /nfs/dbraw/zinc/84/55/22/1077845522.db2.gz PCGMZBYYLXFQFZ-KRWDZBQOSA-N 0 1 413.440 2.883 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000789919552 1077846900 /nfs/dbraw/zinc/84/69/00/1077846900.db2.gz NIWQCUOWGFPXLF-AWEZNQCLSA-N 0 1 417.453 2.517 20 0 HFADMN CCCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000789919223 1077847191 /nfs/dbraw/zinc/84/71/91/1077847191.db2.gz GDLFVWKCBFVKAJ-ZFWWWQNUSA-N 0 1 401.429 2.955 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000789926727 1077850356 /nfs/dbraw/zinc/85/03/56/1077850356.db2.gz PCHYYACVUQRNKH-RDJZCZTQSA-N 0 1 420.435 2.820 20 0 HFADMN CCn1cc(-c2[nH]ncc2C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)cn1 ZINC000789895406 1077853266 /nfs/dbraw/zinc/85/32/66/1077853266.db2.gz WOCFJOUKSUJCMU-SFHVURJKSA-N 0 1 406.490 2.754 20 0 HFADMN COc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc(OC)c1OC ZINC000789897724 1077855249 /nfs/dbraw/zinc/85/52/49/1077855249.db2.gz RMEHQNUEZVYVRR-YGRLFVJLSA-N 0 1 406.401 2.593 20 0 HFADMN Cc1nc(CC2CC2)sc1C(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000789906935 1077857127 /nfs/dbraw/zinc/85/71/27/1077857127.db2.gz GMODGYWLBHVPCH-NRFANRHFSA-N 0 1 412.515 2.992 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000789950954 1077865500 /nfs/dbraw/zinc/86/55/00/1077865500.db2.gz TXIJYZXCPSLTOM-UPJWGTAASA-N 0 1 409.449 2.546 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nnc2n(C)[nH]c(-c3ccccc3)c1-2 ZINC000789952292 1077865975 /nfs/dbraw/zinc/86/59/75/1077865975.db2.gz ZYOOPPGQGALVDZ-LBPRGKRZSA-N 0 1 408.384 2.605 20 0 HFADMN CCc1ccc(CN2CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC2)s1 ZINC000789956383 1077868036 /nfs/dbraw/zinc/86/80/36/1077868036.db2.gz FCKLIELCMIAGSR-HNNXBMFYSA-N 0 1 405.486 2.658 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000789959252 1077869708 /nfs/dbraw/zinc/86/97/08/1077869708.db2.gz BCGIUFUEMZLHMB-INIZCTEOSA-N 0 1 422.407 2.653 20 0 HFADMN CCc1ccc([C@@H]2CN(C(=O)Cn3c(=O)c4ccccc4[nH]c3=S)CCO2)cc1 ZINC000792510366 1077880449 /nfs/dbraw/zinc/88/04/49/1077880449.db2.gz VUZXPEGXDYFNTH-IBGZPJMESA-N 0 1 409.511 2.848 20 0 HFADMN COc1ccc(CN2CCN(C)CC2)cc1NCc1ccnc(-c2cnn(C)c2)c1 ZINC001170124638 1077881664 /nfs/dbraw/zinc/88/16/64/1077881664.db2.gz AMCKYPKWESFLDR-UHFFFAOYSA-N 0 1 406.534 2.850 20 0 HFADMN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1cccc(I)c1O ZINC000792534863 1077890581 /nfs/dbraw/zinc/89/05/81/1077890581.db2.gz QWESONODTQGVGO-SECBINFHSA-N 0 1 413.215 2.866 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000789997938 1077897074 /nfs/dbraw/zinc/89/70/74/1077897074.db2.gz OPUBARYBYIILQF-AVGNSLFASA-N 0 1 409.449 2.594 20 0 HFADMN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000792552454 1077900777 /nfs/dbraw/zinc/90/07/77/1077900777.db2.gz QGDJDUIRCFCBHM-KRWDZBQOSA-N 0 1 411.527 2.990 20 0 HFADMN CCCCc1nc(C(=O)OCC)c(NC(=O)C2CCN(Cc3nccn3C)CC2)[nH]1 ZINC000792554966 1077901548 /nfs/dbraw/zinc/90/15/48/1077901548.db2.gz ILWOEPGWYYRXSZ-UHFFFAOYSA-N 0 1 416.526 2.513 20 0 HFADMN CCOC(CC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1)OCC ZINC000789974567 1077902641 /nfs/dbraw/zinc/90/26/41/1077902641.db2.gz JXTPYLFBBUAPDQ-UHFFFAOYSA-N 0 1 407.555 2.919 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000789973813 1077903166 /nfs/dbraw/zinc/90/31/66/1077903166.db2.gz YTEKTSBOMVXYIO-MCIONIFRSA-N 0 1 423.476 2.841 20 0 HFADMN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(C(=O)OC)cc1Br ZINC000790033053 1077904917 /nfs/dbraw/zinc/90/49/17/1077904917.db2.gz MYSHUNBJRSIOHT-ZDUSSCGKSA-N 0 1 413.293 2.592 20 0 HFADMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC001170220644 1077910714 /nfs/dbraw/zinc/91/07/14/1077910714.db2.gz KIXGSENIMMUYBF-JXFKEZNVSA-N 0 1 416.499 2.793 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000790022355 1077917067 /nfs/dbraw/zinc/91/70/67/1077917067.db2.gz GUNSPZMGIXSNGB-SCLBCKFNSA-N 0 1 421.460 2.549 20 0 HFADMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC(=O)Nc1nnc(CC(C)C)s1 ZINC001170264543 1077921102 /nfs/dbraw/zinc/92/11/02/1077921102.db2.gz PXFONPICROTLQN-HOCLYGCPSA-N 0 1 404.536 2.685 20 0 HFADMN Cc1cnc(N)c(S(=O)(=O)Nc2ccc3c(c2)N(CC(F)F)CCS3)c1 ZINC000790083509 1077926434 /nfs/dbraw/zinc/92/64/34/1077926434.db2.gz PDMZEIYXRFSPCR-UHFFFAOYSA-N 0 1 400.476 2.950 20 0 HFADMN CN1CCN(c2cccc(C(=O)N3CCCC[C@@H]3C(=O)OCc3ccccc3)n2)CC1 ZINC000792601899 1077930528 /nfs/dbraw/zinc/93/05/28/1077930528.db2.gz OPVUEWNZYNSHDO-OAQYLSRUSA-N 0 1 422.529 2.572 20 0 HFADMN COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1OC ZINC000772810209 1077930757 /nfs/dbraw/zinc/93/07/57/1077930757.db2.gz AYLZXRMZIUSBMK-GFCCVEGCSA-N 0 1 410.430 2.560 20 0 HFADMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CC([C@H]2CCOC2)C1 ZINC000792604642 1077932831 /nfs/dbraw/zinc/93/28/31/1077932831.db2.gz JJXCJRPEIQGPTC-HNNXBMFYSA-N 0 1 401.532 2.741 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000790066823 1077936690 /nfs/dbraw/zinc/93/66/90/1077936690.db2.gz WMZLDOCWTZCRKZ-JTDSTZFVSA-N 0 1 418.431 2.719 20 0 HFADMN CN(C)C[C@@H](NC(=O)c1cc(N2CCOCC2)ccn1)c1cccc(C(F)(F)F)c1 ZINC001170320911 1077942646 /nfs/dbraw/zinc/94/26/46/1077942646.db2.gz PVQFPOTYNKCSPY-LJQANCHMSA-N 0 1 422.451 2.970 20 0 HFADMN COc1ccc(-c2cc(C(=O)N3CCC[C@H](N4CCCCC4=O)C3)n[nH]2)c(OC)c1 ZINC001170335559 1077946941 /nfs/dbraw/zinc/94/69/41/1077946941.db2.gz NBAUMSDCOUMHRV-HNNXBMFYSA-N 0 1 412.490 2.711 20 0 HFADMN COc1ccc(CN2CCCN(C(=O)CN3CCc4cccc(OC)c4C3)CC2)cc1 ZINC001170343109 1077953905 /nfs/dbraw/zinc/95/39/05/1077953905.db2.gz WTTDETMDALTRNA-UHFFFAOYSA-N 0 1 423.557 2.796 20 0 HFADMN O=C(N[C@H]1CCc2nc[nH]c2C1)C(=Cc1cccs1)n1nnnc1-c1ccccc1 ZINC000772815641 1077954881 /nfs/dbraw/zinc/95/48/81/1077954881.db2.gz VRYGYQJIWHZOHK-UZUMKDMXSA-N 0 1 417.498 2.797 20 0 HFADMN COc1c(C)cnc(Cn2cnc(NC(=O)c3scnc3Br)n2)c1C ZINC000790164673 1077963881 /nfs/dbraw/zinc/96/38/81/1077963881.db2.gz PPUPUTZDIPNWJW-UHFFFAOYSA-N 0 1 423.296 2.818 20 0 HFADMN CC(C)[C@@](C)(NCC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(N)=O ZINC001170129190 1077964748 /nfs/dbraw/zinc/96/47/48/1077964748.db2.gz WQROKUUHVWUOHF-MZNJEOGPSA-N 0 1 424.545 2.948 20 0 HFADMN CCOc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC001170412695 1077967126 /nfs/dbraw/zinc/96/71/26/1077967126.db2.gz SWICTAGDCCOLNQ-SJORKVTESA-N 0 1 419.566 2.885 20 0 HFADMN CC(C)CN1CCO[C@H](CNC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792789297 1077991881 /nfs/dbraw/zinc/99/18/81/1077991881.db2.gz WSZJCXZOWHLXOQ-LJQANCHMSA-N 0 1 424.586 2.600 20 0 HFADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n[nH]1 ZINC000792781239 1077999460 /nfs/dbraw/zinc/99/94/60/1077999460.db2.gz BSNKKIPUGWXBFK-UWVGGRQHSA-N 0 1 419.429 2.859 20 0 HFADMN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000792783161 1078000241 /nfs/dbraw/zinc/00/02/41/1078000241.db2.gz KQYSJLHSCSKJLY-UWVGGRQHSA-N 0 1 400.888 2.798 20 0 HFADMN CO[C@@H]1CCOc2c(NS(=O)(=O)c3ccc(N4CCOC4=O)cc3)cccc21 ZINC000790347869 1078000894 /nfs/dbraw/zinc/00/08/94/1078000894.db2.gz FQOVRJCUSKXSGD-QGZVFWFLSA-N 0 1 404.444 2.914 20 0 HFADMN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cccc(N2CCC2=O)c1 ZINC000790350544 1078001963 /nfs/dbraw/zinc/00/19/63/1078001963.db2.gz JCMJWPJMZSBTCX-UHFFFAOYSA-N 0 1 415.471 2.581 20 0 HFADMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccc(OC)cc3)cn2)CC1 ZINC000792813852 1078002319 /nfs/dbraw/zinc/00/23/19/1078002319.db2.gz YDLMBXCEUXTFIX-LEWJYISDSA-N 0 1 409.534 2.587 20 0 HFADMN C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1nnnn1C1CC1 ZINC000790358042 1078003347 /nfs/dbraw/zinc/00/33/47/1078003347.db2.gz GQKLNMOZCLSYEE-IUODEOHRSA-N 0 1 423.443 2.662 20 0 HFADMN COc1ccc(OC)c([C@@H]2CCCN2CN2C[C@@]3(CN4CCC3CC4)OC2=O)c1 ZINC000790371183 1078016961 /nfs/dbraw/zinc/01/69/61/1078016961.db2.gz VOXWNJJCBUXLQA-SIKLNZKXSA-N 0 1 401.507 2.715 20 0 HFADMN CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000792938749 1078022008 /nfs/dbraw/zinc/02/20/08/1078022008.db2.gz CPYIDESXELQEID-OAQYLSRUSA-N 0 1 422.573 2.870 20 0 HFADMN CCCCCCn1cc(S(=O)(=O)Nc2cnn([C@@H](C)CC)c2C)c(=O)[nH]c1=O ZINC000790417503 1078022039 /nfs/dbraw/zinc/02/20/39/1078022039.db2.gz LORYBAMFWDWUSZ-ZDUSSCGKSA-N 0 1 411.528 2.806 20 0 HFADMN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CCCc3cn[nH]c32)cn1 ZINC000790429493 1078028489 /nfs/dbraw/zinc/02/84/89/1078028489.db2.gz QUEGTTKGWUASMU-PMACEKPBSA-N 0 1 408.506 2.949 20 0 HFADMN COc1cccc([C@@H](C)N2CCN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971986 1078029946 /nfs/dbraw/zinc/02/99/46/1078029946.db2.gz DZCCDPHSKMVSKH-IEBWSBKVSA-N 0 1 407.555 2.650 20 0 HFADMN C[C@@H](O)C[C@H]1CCCCN1CC(=O)N(C)c1ccccc1C(=O)NCc1ccco1 ZINC000790438856 1078031370 /nfs/dbraw/zinc/03/13/70/1078031370.db2.gz NUHOZYPZXNTOEQ-QZTJIDSGSA-N 0 1 413.518 2.798 20 0 HFADMN COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)N2CCCC2)cc1 ZINC000792948469 1078032591 /nfs/dbraw/zinc/03/25/91/1078032591.db2.gz VDGKDDBFGIJBJJ-INIZCTEOSA-N 0 1 402.882 2.635 20 0 HFADMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000792948889 1078032996 /nfs/dbraw/zinc/03/29/96/1078032996.db2.gz MEQNJZKBPBMWQI-QWHCGFSZSA-N 0 1 416.503 2.740 20 0 HFADMN COc1ccc([C@@H](C[NH+](C)C)[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000790473111 1078039152 /nfs/dbraw/zinc/03/91/52/1078039152.db2.gz OXMAIKKAPSZMKC-LLVKDONJSA-N 0 1 424.391 2.972 20 0 HFADMN C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1nnnn1C1CC1 ZINC000790490358 1078043090 /nfs/dbraw/zinc/04/30/90/1078043090.db2.gz NNGJKVJNSIXBBP-IAQYHMDHSA-N 0 1 411.432 2.690 20 0 HFADMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)NCC(F)(F)Br ZINC000806317439 1079552230 /nfs/dbraw/zinc/55/22/30/1079552230.db2.gz BQVQSIGUPSISDW-UHFFFAOYSA-N 0 1 421.286 2.946 20 0 HFADMN CC(C)n1cc2c(n1)[C@@H](NC(=O)C(=O)N[C@H]1CN(Cc3ccccc3)C[C@H]1C)CCC2 ZINC000806303677 1079556380 /nfs/dbraw/zinc/55/63/80/1079556380.db2.gz QGLFVRVJUSYJLV-QMMLZNLJSA-N 0 1 423.561 2.594 20 0 HFADMN Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001130586772 1079562571 /nfs/dbraw/zinc/56/25/71/1079562571.db2.gz UNHXACYWRRJZGA-KZNAEPCWSA-N 0 1 407.580 2.723 20 0 HFADMN O=C([N-]OC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806312004 1079565154 /nfs/dbraw/zinc/56/51/54/1079565154.db2.gz PZZQEZBBUPMRQI-INIZCTEOSA-N 0 1 413.440 2.776 20 0 HFADMN O=C([N-]OC1CCCCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000806312004 1079565166 /nfs/dbraw/zinc/56/51/66/1079565166.db2.gz PZZQEZBBUPMRQI-INIZCTEOSA-N 0 1 413.440 2.776 20 0 HFADMN COc1ccc(NC(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1N1CCOC1=O ZINC000806316708 1079570050 /nfs/dbraw/zinc/57/00/50/1079570050.db2.gz YHWBQTVHWLRYCW-UHFFFAOYSA-N 0 1 422.445 2.801 20 0 HFADMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)C(=O)N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000806423748 1079668518 /nfs/dbraw/zinc/66/85/18/1079668518.db2.gz CZAXKPORRNPLHE-SFTDATJTSA-N 0 1 411.933 2.704 20 0 HFADMN C[C@@H](CNC(=O)N1CCCC[C@H]1COC(=O)N(C)C)N1CCc2ccccc2C1 ZINC000806434952 1079681380 /nfs/dbraw/zinc/68/13/80/1079681380.db2.gz ZDEMMFXZRLWCPN-PXNSSMCTSA-N 0 1 402.539 2.696 20 0 HFADMN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCCN1CCc2ccccc2C1 ZINC000806394410 1079684445 /nfs/dbraw/zinc/68/44/45/1079684445.db2.gz NAHYPUOEIDMODK-FQEVSTJZSA-N 0 1 402.539 2.743 20 0 HFADMN Cc1ccc(N2CCNC2=O)cc1NC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000806471014 1079701680 /nfs/dbraw/zinc/70/16/80/1079701680.db2.gz CBWSVZHPNRYDTF-UHFFFAOYSA-N 0 1 405.462 2.674 20 0 HFADMN C[C@H](NC(=O)N1CC(N(C)Cc2ccccc2)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000806473419 1079703244 /nfs/dbraw/zinc/70/32/44/1079703244.db2.gz QFJKOXJUPJHYSY-INIZCTEOSA-N 0 1 416.547 2.645 20 0 HFADMN Cc1ccc2nc(CNC(=O)C(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)[nH]c2c1 ZINC000806497480 1079748001 /nfs/dbraw/zinc/74/80/01/1079748001.db2.gz JKEOUGOHTPQFEA-WMLDXEAASA-N 0 1 412.515 2.664 20 0 HFADMN COCN1C(=O)CCc2cc(NC(=O)NCCc3nnc(-c4ccccc4)[nH]3)ccc21 ZINC000806501836 1079752970 /nfs/dbraw/zinc/75/29/70/1079752970.db2.gz GYHHZJNGFAIKAU-UHFFFAOYSA-N 0 1 420.473 2.719 20 0 HFADMN CCCCc1ccc(N2C[C@H](C(=O)N3CCN(C4CCOCC4)CC3)CC2=O)cc1 ZINC000747334817 1079786835 /nfs/dbraw/zinc/78/68/35/1079786835.db2.gz SOFQANQBLONPOX-HXUWFJFHSA-N 0 1 413.562 2.705 20 0 HFADMN O=C(NCc1ccon1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000747335977 1079811428 /nfs/dbraw/zinc/81/14/28/1079811428.db2.gz LMLOGRBYMSAYOS-UHFFFAOYSA-N 0 1 407.835 2.764 20 0 HFADMN C[NH+](C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)c1ccc(F)cc1 ZINC000806565565 1079822934 /nfs/dbraw/zinc/82/29/34/1079822934.db2.gz OSGUSJGKYZYEFI-OAHLLOKOSA-N 0 1 418.849 2.898 20 0 HFADMN COC(=O)[C@@H]1CO[C@H](CCC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)C1 ZINC001130673272 1079824331 /nfs/dbraw/zinc/82/43/31/1079824331.db2.gz SORSZRWNRJGDLW-OAGDOXAWSA-N 0 1 402.535 2.855 20 0 HFADMN Cc1cc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)oc1C ZINC001130701447 1079901238 /nfs/dbraw/zinc/90/12/38/1079901238.db2.gz RWBFDZHGWTZXCP-TZMCWYRMSA-N 0 1 418.412 2.890 20 0 HFADMN CN(CCc1nc(-c2ccccc2)no1)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000806849761 1080033704 /nfs/dbraw/zinc/03/37/04/1080033704.db2.gz HOSVWLLFAXEQOF-UHFFFAOYSA-N 0 1 403.446 2.906 20 0 HFADMN CN(CCc1nc(-c2ccccc2)no1)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000806849761 1080033716 /nfs/dbraw/zinc/03/37/16/1080033716.db2.gz HOSVWLLFAXEQOF-UHFFFAOYSA-N 0 1 403.446 2.906 20 0 HFADMN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000806850753 1080034654 /nfs/dbraw/zinc/03/46/54/1080034654.db2.gz WCJJVVFROLACCP-MRXNPFEDSA-N 0 1 400.483 2.672 20 0 HFADMN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000806850753 1080034663 /nfs/dbraw/zinc/03/46/63/1080034663.db2.gz WCJJVVFROLACCP-MRXNPFEDSA-N 0 1 400.483 2.672 20 0 HFADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)n[nH]1 ZINC000805270053 1080040749 /nfs/dbraw/zinc/04/07/49/1080040749.db2.gz NFOJXOZFPPYNGE-JSGCOSHPSA-N 0 1 402.499 2.555 20 0 HFADMN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000806910646 1080116620 /nfs/dbraw/zinc/11/66/20/1080116620.db2.gz ARJCXQUDLSQNMF-LJQANCHMSA-N 0 1 408.518 2.956 20 0 HFADMN C[C@H]1CN(C(=O)c2ccc(NC(=O)CSc3n[nH]c(=S)s3)cc2)C[C@H](C)O1 ZINC000747368121 1080196010 /nfs/dbraw/zinc/19/60/10/1080196010.db2.gz MKYZQSSALJQAGV-QWRGUYRKSA-N 0 1 424.573 2.807 20 0 HFADMN Cc1nc(C(=O)N(CCc2ccccc2)C2CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000747371098 1080242619 /nfs/dbraw/zinc/24/26/19/1080242619.db2.gz MNVXXCNRGPDOGC-UHFFFAOYSA-N 0 1 405.384 2.560 20 0 HFADMN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)CSc2n[nH]c(=S)s2)C1 ZINC000747372468 1080287088 /nfs/dbraw/zinc/28/70/88/1080287088.db2.gz HFOIUUNGDHUCLY-JTQLQIEISA-N 0 1 404.583 2.682 20 0 HFADMN COc1cccc([C@H](C)N2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000747379815 1080384835 /nfs/dbraw/zinc/38/48/35/1080384835.db2.gz GSWJEVUPNXBQKF-LBPRGKRZSA-N 0 1 410.590 2.833 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000747382794 1080423876 /nfs/dbraw/zinc/42/38/76/1080423876.db2.gz BCAFXRPVZKYSKE-UHFFFAOYSA-N 0 1 400.595 2.560 20 0 HFADMN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)CSc1n[nH]c(=S)s1)C1CC1 ZINC000747386160 1080454910 /nfs/dbraw/zinc/45/49/10/1080454910.db2.gz JRWYMODZFPKTSU-HNNXBMFYSA-N 0 1 404.583 2.729 20 0 HFADMN CC(C)N1C(=S)N=NC1C1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000747386105 1080455388 /nfs/dbraw/zinc/45/53/88/1080455388.db2.gz JMPNXPRGXHYTQJ-UHFFFAOYSA-N 0 1 416.623 2.786 20 0 HFADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnc(C)o2)cc1)c1ccco1 ZINC000807310179 1080502675 /nfs/dbraw/zinc/50/26/75/1080502675.db2.gz BHFYXSJQJYCWHT-CXAGYDPISA-N 0 1 411.462 2.822 20 0 HFADMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1C)c1ccco1 ZINC000807310448 1080504809 /nfs/dbraw/zinc/50/48/09/1080504809.db2.gz IYEHBXDLGXEMKD-SMDDNHRTSA-N 0 1 423.311 2.930 20 0 HFADMN CC[C@H](C)N[C@@H](CNC(=O)C(=O)Nc1ccc(C)c(Br)n1)c1ccco1 ZINC000807310537 1080505253 /nfs/dbraw/zinc/50/52/53/1080505253.db2.gz LTGOTPLOQCQMFY-STQMWFEESA-N 0 1 423.311 2.930 20 0 HFADMN CC[C@H](C)N[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)OC)cc1)c1ccco1 ZINC000807313079 1080506145 /nfs/dbraw/zinc/50/61/45/1080506145.db2.gz WGGVWDQVNDSYND-YOEHRIQHSA-N 0 1 416.478 2.666 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000807358752 1080520850 /nfs/dbraw/zinc/52/08/50/1080520850.db2.gz FVVVRFFMPJSZBE-UHFFFAOYSA-N 0 1 416.522 2.615 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000747391845 1080549986 /nfs/dbraw/zinc/54/99/86/1080549986.db2.gz YUOLSKDPUUHITR-QMMMGPOBSA-N 0 1 414.607 2.540 20 0 HFADMN Cc1ccc([C@H](O)[C@@H](C)NC(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1 ZINC000807347996 1080553236 /nfs/dbraw/zinc/55/32/36/1080553236.db2.gz RWIXBTYJZKUDGI-CDHQVMDDSA-N 0 1 411.502 2.557 20 0 HFADMN COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N(C)CCCN(C)Cc2ccco2)c1 ZINC000807413727 1080612476 /nfs/dbraw/zinc/61/24/76/1080612476.db2.gz UYFIJTWBGPXJJQ-UHFFFAOYSA-N 0 1 421.881 2.639 20 0 HFADMN CCc1ccc(CN2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)s1 ZINC000747398717 1080656920 /nfs/dbraw/zinc/65/69/20/1080656920.db2.gz IADHZIMTRGTHIC-UHFFFAOYSA-N 0 1 400.620 2.887 20 0 HFADMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(=O)NCC[C@@](C)(O)c1ccccc1 ZINC000807500293 1080697151 /nfs/dbraw/zinc/69/71/51/1080697151.db2.gz VHNXYCPRLLSENK-NBGIEHNGSA-N 0 1 423.557 2.523 20 0 HFADMN Cc1nc(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)no1 ZINC000807542888 1080758711 /nfs/dbraw/zinc/75/87/11/1080758711.db2.gz GJTFUEMRPZABPH-DNVCBOLYSA-N 0 1 419.485 2.763 20 0 HFADMN CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1C ZINC000807544565 1080761517 /nfs/dbraw/zinc/76/15/17/1080761517.db2.gz VWKLQKNYDWRFJR-KKSFZXQISA-N 0 1 408.502 2.671 20 0 HFADMN COC[C@]1(CNC(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)CCCN1C(=O)OC(C)(C)C ZINC000807550352 1080765915 /nfs/dbraw/zinc/76/59/15/1080765915.db2.gz 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ZINC000807079492 1080260110 /nfs/dbraw/zinc/26/01/10/1080260110.db2.gz XAFQKGXPSLUYPM-SFHVURJKSA-N 0 1 403.910 2.925 20 0 HFADMN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000747373039 1080285457 /nfs/dbraw/zinc/28/54/57/1080285457.db2.gz SESZGALNHUTIDI-NSHDSACASA-N 0 1 412.587 2.768 20 0 HFADMN CC1(C)CN(C(=O)N[C@H]2CCOc3c(Cl)c(Cl)ccc32)CCN1CCO ZINC000807174472 1080328983 /nfs/dbraw/zinc/32/89/83/1080328983.db2.gz LNOAQYFKMTVSLX-AWEZNQCLSA-N 0 1 402.322 2.915 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(n2cc(Br)cn2)CC1 ZINC000747385540 1080458452 /nfs/dbraw/zinc/45/84/52/1080458452.db2.gz AAMOOLYTXXAAOG-UHFFFAOYSA-N 0 1 420.383 2.742 20 0 HFADMN Cc1coc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)c1 ZINC001130905547 1080496046 /nfs/dbraw/zinc/49/60/46/1080496046.db2.gz PWABREPSUNYACZ-YPMHNXCESA-N 0 1 404.385 2.581 20 0 HFADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1)c1ccco1 ZINC000807312065 1080505356 /nfs/dbraw/zinc/50/53/56/1080505356.db2.gz JWTLQGADCKUIKJ-CZUORRHYSA-N 0 1 402.451 2.642 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(CN(C)C(=O)OC)cc1 ZINC000807358632 1080520594 /nfs/dbraw/zinc/52/05/94/1080520594.db2.gz AJBYLTZYLBEADC-UHFFFAOYSA-N 0 1 418.538 2.548 20 0 HFADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)N(CC(C)(C)C)OC)CC1 ZINC000807359455 1080521843 /nfs/dbraw/zinc/52/18/43/1080521843.db2.gz BWXZHBOGJGUYBJ-UHFFFAOYSA-N 0 1 410.946 2.857 20 0 HFADMN CNS(=O)(=O)c1cc(NC(=O)CSc2nc3ccccc3s2)ccc1O ZINC000807384331 1080578689 /nfs/dbraw/zinc/57/86/89/1080578689.db2.gz GCKKIXDNNVONSK-UHFFFAOYSA-N 0 1 409.514 2.641 20 0 HFADMN CCOC(=O)C1=C(Nc2cnc3c(c2)OCC(=O)N3)CCN(Cc2ccccc2)C1 ZINC001170522643 1080582021 /nfs/dbraw/zinc/58/20/21/1080582021.db2.gz ONLWLICEGITECS-UHFFFAOYSA-N 0 1 408.458 2.548 20 0 HFADMN CCOC(=O)C1CN(Cc2ccccc2)CCC1=Nc1cnc2c(c1)OCC(=O)N2 ZINC001170522643 1080582029 /nfs/dbraw/zinc/58/20/29/1080582029.db2.gz ONLWLICEGITECS-UHFFFAOYSA-N 0 1 408.458 2.548 20 0 HFADMN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000805283672 1080608936 /nfs/dbraw/zinc/60/89/36/1080608936.db2.gz KJPYXIKMSXMHFC-OAQYLSRUSA-N 0 1 416.566 2.517 20 0 HFADMN Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@@H](CN(C)C)c3ccc(F)cc3)cc2)o1 ZINC000807485965 1080667490 /nfs/dbraw/zinc/66/74/90/1080667490.db2.gz ITGWSLYLVVDRBB-SFHVURJKSA-N 0 1 411.437 2.542 20 0 HFADMN COC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1F ZINC000807486549 1080670603 /nfs/dbraw/zinc/67/06/03/1080670603.db2.gz SGFSVOFSHGUQHT-KRWDZBQOSA-N 0 1 420.416 2.501 20 0 HFADMN CCN(C(=O)C(=O)NCC[C@](C)(O)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000807502146 1080700065 /nfs/dbraw/zinc/70/00/65/1080700065.db2.gz ZEGATIFBBOVFON-RDGATRHJSA-N 0 1 423.557 2.523 20 0 HFADMN Cc1[nH]c2ccc(F)cc2c1CCNC(=O)CCN1CCN(c2ccccn2)CC1 ZINC001170526452 1080706157 /nfs/dbraw/zinc/70/61/57/1080706157.db2.gz PUWCFGHIYDGEMP-UHFFFAOYSA-N 0 1 409.509 2.881 20 0 HFADMN CCCCCn1nc(C)cc1NC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000807476203 1080727431 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0 1 419.485 2.613 20 0 HFADMN NS(=O)(=O)c1cc(Cl)cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC001308040332 1126162965 /nfs/dbraw/zinc/16/29/65/1126162965.db2.gz UMWNNBLMIOPJPF-JKSUJKDBSA-N 0 1 422.856 2.612 20 0 HFADMN CS(=O)(=O)c1nc(Cl)cc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC001164626951 719052200 /nfs/dbraw/zinc/05/22/00/719052200.db2.gz SJYVWJFCLPDACA-JKSUJKDBSA-N 0 1 406.939 2.634 20 0 HFADMN COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2[C@H](C1)OCCN2C ZINC001164671338 719378622 /nfs/dbraw/zinc/37/86/22/719378622.db2.gz WXMMVZQYHSTSMQ-KNQAVFIVSA-N 0 1 406.486 2.737 20 0 HFADMN Cc1nc(CN2CCCC23CCN(c2nc(C)cc4c2C(=O)NC4=O)CC3)cs1 ZINC001164691575 719813522 /nfs/dbraw/zinc/81/35/22/719813522.db2.gz HUUHEHDQTJYOPO-UHFFFAOYSA-N 0 1 411.531 2.674 20 0 HFADMN C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c21 ZINC001164697084 719892635 /nfs/dbraw/zinc/89/26/35/719892635.db2.gz JMLQBDILSDMMOE-HNNXBMFYSA-N 0 1 413.547 2.855 20 0 HFADMN CC1(C)C(=O)Nc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c21 ZINC001164696725 719897185 /nfs/dbraw/zinc/89/71/85/719897185.db2.gz HZWWXCVTLMFFER-UHFFFAOYSA-N 0 1 413.547 2.639 20 0 HFADMN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164731550 720483000 /nfs/dbraw/zinc/48/30/00/720483000.db2.gz WKTIRMRBEWZHIK-BMFZPTHFSA-N 0 1 401.898 2.655 20 0 HFADMN CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1C(=O)OCC ZINC001164722469 720485267 /nfs/dbraw/zinc/48/52/67/720485267.db2.gz AUGNSJSYWYUDOC-OALUTQOASA-N 0 1 424.501 2.683 20 0 HFADMN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728277 720487650 /nfs/dbraw/zinc/48/76/50/720487650.db2.gz OXBHQVYITMWGDD-KGLIPLIRSA-N 0 1 409.824 2.621 20 0 HFADMN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728277 720487655 /nfs/dbraw/zinc/48/76/55/720487655.db2.gz OXBHQVYITMWGDD-KGLIPLIRSA-N 0 1 409.824 2.621 20 0 HFADMN CC1CCN(C(=O)c2cccnc2N2CCc3ncc(CN4CCCC4)n3CC2)CC1 ZINC001164736283 720580603 /nfs/dbraw/zinc/58/06/03/720580603.db2.gz GPNLHVVTXOBFMH-UHFFFAOYSA-N 0 1 422.577 2.809 20 0 HFADMN C[C@@H]1CCCN(C(=O)c2ccc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2)C1 ZINC001164736956 720580815 /nfs/dbraw/zinc/58/08/15/720580815.db2.gz WQTPMKZUPODLGY-LJQANCHMSA-N 0 1 422.577 2.809 20 0 HFADMN Fc1cc2nc(Cl)c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1F ZINC001164737767 720676220 /nfs/dbraw/zinc/67/62/20/720676220.db2.gz GWOLGSYQEWKKBH-NWDGAFQWSA-N 0 1 418.835 2.693 20 0 HFADMN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164742039 720697261 /nfs/dbraw/zinc/69/72/61/720697261.db2.gz VMOJGFPXNXVFEB-OLZOCXBDSA-N 0 1 420.851 2.893 20 0 HFADMN c1ccc(COc2cccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164746930 720755761 /nfs/dbraw/zinc/75/57/61/720755761.db2.gz YYPSTFKIQMCJKA-VQTJNVASSA-N 0 1 403.486 2.793 20 0 HFADMN CN1CCN(c2cccc(N3CC[C@@H]4O[C@H](COCc5ccccn5)CC[C@@H]43)n2)CC1 ZINC001164843998 720776038 /nfs/dbraw/zinc/77/60/38/720776038.db2.gz BGCASWAIJZLIAV-FKBYEOEOSA-N 0 1 423.561 2.572 20 0 HFADMN Cc1c(Cl)nc(CC(C)C)nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164751212 720801149 /nfs/dbraw/zinc/80/11/49/720801149.db2.gz XLOBUQXKEAQENY-JKSUJKDBSA-N 0 1 402.930 2.769 20 0 HFADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)[C@H]2C ZINC001164858869 720970712 /nfs/dbraw/zinc/97/07/12/720970712.db2.gz IRAZWKICCGIMRE-NSHDSACASA-N 0 1 406.893 2.735 20 0 HFADMN CCOC(=O)c1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c(OC)c1 ZINC001164856376 720977392 /nfs/dbraw/zinc/97/73/92/720977392.db2.gz BZOLJYRPPVGXDL-HNNXBMFYSA-N 0 1 401.511 2.885 20 0 HFADMN CCOC(=O)c1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ncc1Cl ZINC001164763619 721082298 /nfs/dbraw/zinc/08/22/98/721082298.db2.gz GDYOXQHTZUAHEH-HZPDHXFCSA-N 0 1 403.914 2.604 20 0 HFADMN CCOC(=O)c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164863799 721095131 /nfs/dbraw/zinc/09/51/31/721095131.db2.gz DHRILTNJKYUJMJ-MSOLQXFVSA-N 0 1 416.909 2.786 20 0 HFADMN Cc1nc(C(F)(F)N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(Cl)c1C ZINC001164766512 721160869 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COCc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000772817510 1077956288 /nfs/dbraw/zinc/95/62/88/1077956288.db2.gz WWNFTZRNQDTEEH-NRFANRHFSA-N 0 1 411.502 2.733 20 0 HFADMN C[C@H](NC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1nnnn1C1CC1 ZINC000790124244 1077958936 /nfs/dbraw/zinc/95/89/36/1077958936.db2.gz MUGZLVQWWWETQI-ZDUSSCGKSA-N 0 1 403.918 2.686 20 0 HFADMN Cc1cccc(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)c1O ZINC000792668189 1077968333 /nfs/dbraw/zinc/96/83/33/1077968333.db2.gz DRAWWZYWVUXSEN-UHFFFAOYSA-N 0 1 415.494 2.618 20 0 HFADMN COCCC[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000792669050 1077968804 /nfs/dbraw/zinc/96/88/04/1077968804.db2.gz HNDCLPCFFSAHBY-QGZVFWFLSA-N 0 1 411.527 2.839 20 0 HFADMN COCCN(CC(=O)Nc1cccc2c1OCC[C@H]2N(C)C)C(=O)OC(C)(C)C ZINC000790238965 1077974117 /nfs/dbraw/zinc/97/41/17/1077974117.db2.gz SUHMLLYRUDDSDR-QGZVFWFLSA-N 0 1 407.511 2.894 20 0 HFADMN COC[C@@H](NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[C@@H]1CCCO1 ZINC000790279876 1077983688 /nfs/dbraw/zinc/98/36/88/1077983688.db2.gz HUIMVWLQALAPDN-MSOLQXFVSA-N 0 1 419.547 2.556 20 0 HFADMN C[C@@H]1CN(Cc2ccc(CNC(=O)[C@H]3CC(c4cccnc4)=NO3)cc2)C[C@H](C)O1 ZINC000790288158 1077986162 /nfs/dbraw/zinc/98/61/62/1077986162.db2.gz FKZSGCOVNAPHHI-HYFFOGBASA-N 0 1 408.502 2.500 20 0 HFADMN Nn1c(SCCC(=O)Nc2cccnc2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000790268214 1077991409 /nfs/dbraw/zinc/99/14/09/1077991409.db2.gz YGSDEZUIWIRQRO-UHFFFAOYSA-N 0 1 406.475 2.565 20 0 HFADMN CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2[C@H]1CCN(C2CCOCC2)C1=O ZINC000790312730 1077994470 /nfs/dbraw/zinc/99/44/70/1077994470.db2.gz RVHVWJVEKVRHQZ-DQXYTYHJSA-N 0 1 407.555 2.677 20 0 HFADMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)n[nH]1 ZINC000792767787 1077997095 /nfs/dbraw/zinc/99/70/95/1077997095.db2.gz RZNDRHAUFSNWOX-STQMWFEESA-N 0 1 409.512 2.624 20 0 HFADMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000790300933 1077998829 /nfs/dbraw/zinc/99/88/29/1077998829.db2.gz CEEYSFMTKSKQLL-KKUMJFAQSA-N 0 1 400.397 2.595 20 0 HFADMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000746895244 1077999173 /nfs/dbraw/zinc/99/91/73/1077999173.db2.gz JBCLBLHBRITLPE-DBDZUICISA-N 0 1 415.540 2.642 20 0 HFADMN C[C@H](NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)c1nnnn1C1CC1 ZINC000790306438 1078000011 /nfs/dbraw/zinc/00/00/11/1078000011.db2.gz RKIYWQIOLCRDFZ-AWEZNQCLSA-N 0 1 417.945 2.934 20 0 HFADMN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)n[nH]1 ZINC000792783158 1078000100 /nfs/dbraw/zinc/00/01/00/1078000100.db2.gz KQYSJLHSCSKJLY-NXEZZACHSA-N 0 1 400.888 2.798 20 0 HFADMN CN(CCC(=O)NCC1(N2CCOCC2)CCCCC1)C(=O)OCc1ccccc1 ZINC000792825512 1078006314 /nfs/dbraw/zinc/00/63/14/1078006314.db2.gz WZFRAOJSYKOFKE-UHFFFAOYSA-N 0 1 417.550 2.796 20 0 HFADMN C[C@@H](c1ccccc1Cl)N1CCN(CN2C[C@@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790365341 1078015182 /nfs/dbraw/zinc/01/51/82/1078015182.db2.gz FYVLGGPXLVZWKX-HTAPYJJXSA-N 0 1 418.969 2.893 20 0 HFADMN COc1ccc(CN(C)CN2C[C@]3(CN4CCC3CC4)OC2=O)cc1OC(F)F ZINC000790372124 1078016801 /nfs/dbraw/zinc/01/68/01/1078016801.db2.gz YFUMBXHARLNLKS-FQEVSTJZSA-N 0 1 411.449 2.603 20 0 HFADMN COc1ccc(OC)c([C@H]2CCCN2CN2C[C@@]3(CN4CCC3CC4)OC2=O)c1 ZINC000790371181 1078017076 /nfs/dbraw/zinc/01/70/76/1078017076.db2.gz VOXWNJJCBUXLQA-DENIHFKCSA-N 0 1 401.507 2.715 20 0 HFADMN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H]2CCCc3cn[nH]c32)cn1 ZINC000790429495 1078028421 /nfs/dbraw/zinc/02/84/21/1078028421.db2.gz QUEGTTKGWUASMU-VQTJNVASSA-N 0 1 408.506 2.949 20 0 HFADMN C[C@@H]1CN(C[C@@H](O)CCNC(=O)OC(C)(C)C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000792973969 1078030533 /nfs/dbraw/zinc/03/05/33/1078030533.db2.gz PFIODEZOOSTVIW-XHSDSOJGSA-N 0 1 401.548 2.592 20 0 HFADMN C[C@@H](c1ccc(F)cc1F)N1CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792973826 1078030549 /nfs/dbraw/zinc/03/05/49/1078030549.db2.gz NYHDJSBVLDOLJO-RDJZCZTQSA-N 0 1 413.509 2.919 20 0 HFADMN CCc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)N(C)C)cc1 ZINC000792948457 1078032507 /nfs/dbraw/zinc/03/25/07/1078032507.db2.gz VBCHDMNTVRNZGQ-HNNXBMFYSA-N 0 1 419.323 2.764 20 0 HFADMN C[C@H]1CN(Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2)C[C@H](C)O1 ZINC000792952907 1078034210 /nfs/dbraw/zinc/03/42/10/1078034210.db2.gz WEADFRPZYQMOIK-GJZGRUSLSA-N 0 1 416.909 2.599 20 0 HFADMN COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000790450815 1078035381 /nfs/dbraw/zinc/03/53/81/1078035381.db2.gz QBPLHBFJYVYMSX-AWEZNQCLSA-N 0 1 423.348 2.996 20 0 HFADMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Br)n2)N(C)C)cc1 ZINC000792969236 1078038846 /nfs/dbraw/zinc/03/88/46/1078038846.db2.gz PGDOEFFGXCGOCW-AWEZNQCLSA-N 0 1 405.296 2.510 20 0 HFADMN Cc1nc([C@H](C)NC(=O)Nc2cccc(OCCNC(=O)OC(C)(C)C)c2)n[nH]1 ZINC000806255647 1079524357 /nfs/dbraw/zinc/52/43/57/1079524357.db2.gz BGHNLEUFCRMHCX-LBPRGKRZSA-N 0 1 404.471 2.899 20 0 HFADMN C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)[C@@H](C)CN1C ZINC001130589765 1079570683 /nfs/dbraw/zinc/57/06/83/1079570683.db2.gz RCHRFWSRYKNPCP-YVSFHVDLSA-N 0 1 407.942 2.507 20 0 HFADMN COC(=O)Nc1cccc(CNC(=O)NCC2(N3CCOCC3)CCCCC2)c1 ZINC000806294302 1079583297 /nfs/dbraw/zinc/58/32/97/1079583297.db2.gz CLJIIWXRBRTRBV-UHFFFAOYSA-N 0 1 404.511 2.699 20 0 HFADMN CN1CCN(c2ccc(NC(=O)[C@@](N)(c3cccc(F)c3)C(F)(F)F)cc2)CC1 ZINC000806353723 1079625736 /nfs/dbraw/zinc/62/57/36/1079625736.db2.gz SGTXSBAABMLWER-IBGZPJMESA-N 0 1 410.415 2.933 20 0 HFADMN O=C(N[C@@H]1CCCc2cn[nH]c21)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000806430236 1079674527 /nfs/dbraw/zinc/67/45/27/1079674527.db2.gz JOAUPJAIZFXDKB-QZTJIDSGSA-N 0 1 424.526 2.727 20 0 HFADMN C[C@H]1CCN(C(=O)Nc2cccc3c2OCCC3=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806400007 1079687228 /nfs/dbraw/zinc/68/72/28/1079687228.db2.gz AXMIKOOUATZTFF-PGUXBMHVSA-N 0 1 413.396 2.961 20 0 HFADMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cnc(C4OCCO4)s3)cc2)C[C@@H](C)O1 ZINC000806442058 1079711002 /nfs/dbraw/zinc/71/10/02/1079711002.db2.gz JFRPIZZTMWKHLM-HUUCEWRRSA-N 0 1 417.531 2.728 20 0 HFADMN Cc1noc(C)c1CCCNC(=O)C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000806480382 1079765237 /nfs/dbraw/zinc/76/52/37/1079765237.db2.gz KJACLZAKKKMRDY-UHFFFAOYSA-N 0 1 418.582 2.699 20 0 HFADMN Cn1[nH]cc2c(=NC(=O)N3CCC[C@H](c4nnc(-c5ccccc5)[nH]4)C3)ccnc1-2 ZINC000806486891 1079772415 /nfs/dbraw/zinc/77/24/15/1079772415.db2.gz JODYMAGMMSKATR-HNNXBMFYSA-N 0 1 402.462 2.538 20 0 HFADMN CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)C1=O ZINC001130668173 1079818763 /nfs/dbraw/zinc/81/87/63/1079818763.db2.gz DVEZVUIOAAYSDJ-KSZLIROESA-N 0 1 414.550 2.607 20 0 HFADMN C[C@@H]1[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000806567284 1079825333 /nfs/dbraw/zinc/82/53/33/1079825333.db2.gz FVVFMCVNBPDDFA-WBMJQRKESA-N 0 1 410.442 2.604 20 0 HFADMN C[C@@H]1[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000806567284 1079825340 /nfs/dbraw/zinc/82/53/40/1079825340.db2.gz FVVFMCVNBPDDFA-WBMJQRKESA-N 0 1 410.442 2.604 20 0 HFADMN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCN(C3CCOCC3)CC2)cc1 ZINC000747334661 1079833099 /nfs/dbraw/zinc/83/30/99/1079833099.db2.gz HPHDLMHDDVKJDZ-UHFFFAOYSA-N 0 1 403.523 2.899 20 0 HFADMN C[C@H]1COCC[C@H]1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001130690729 1079853910 /nfs/dbraw/zinc/85/39/10/1079853910.db2.gz XRXWWTJWVCDAJR-IEAZIUSSSA-N 0 1 416.415 2.861 20 0 HFADMN C[C@@H](CN1CCN(C)CC1)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000806753663 1079968833 /nfs/dbraw/zinc/96/88/33/1079968833.db2.gz XHNLFPSNUVFETG-NZQKXSOJSA-N 0 1 410.562 2.568 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000747353791 1080029089 /nfs/dbraw/zinc/02/90/89/1080029089.db2.gz WOTRHZVZRASUIP-UHFFFAOYSA-N 0 1 414.965 2.557 20 0 HFADMN Cc1ccccc1CN1CCCN(C(=O)C(=O)Nc2cccc(C(C)(C)O)c2)CC1 ZINC000806850082 1080035806 /nfs/dbraw/zinc/03/58/06/1080035806.db2.gz KOIDAUYQVOFVCI-UHFFFAOYSA-N 0 1 409.530 2.895 20 0 HFADMN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000806826903 1080042302 /nfs/dbraw/zinc/04/23/02/1080042302.db2.gz DHESBFXCWGXHKU-INIZCTEOSA-N 0 1 418.473 2.810 20 0 HFADMN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000806826903 1080042311 /nfs/dbraw/zinc/04/23/11/1080042311.db2.gz DHESBFXCWGXHKU-INIZCTEOSA-N 0 1 418.473 2.810 20 0 HFADMN CS(=O)(=O)Nc1ccc(C(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)cn1 ZINC001130785795 1080094431 /nfs/dbraw/zinc/09/44/31/1080094431.db2.gz TUSLEFQBJKYCHO-IBGZPJMESA-N 0 1 423.922 2.628 20 0 HFADMN CSCC[C@H](C)NC(=O)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000807055389 1080238647 /nfs/dbraw/zinc/23/86/47/1080238647.db2.gz UFFPNGIEUQLZMG-WFASDCNBSA-N 0 1 405.486 2.682 20 0 HFADMN CN1CC[C@H](NC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)[C@@H]1c1ccccc1 ZINC000807088252 1080266672 /nfs/dbraw/zinc/26/66/72/1080266672.db2.gz NERQWHNUAFJPPB-VABKMULXSA-N 0 1 421.541 2.832 20 0 HFADMN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSc2n[nH]c(=S)s2)cc1 ZINC000747372243 1080294367 /nfs/dbraw/zinc/29/43/67/1080294367.db2.gz 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20 0 HFADMN CS(=O)(=O)c1cc(C(F)(F)N2CC3(C2)CCN(CC2CC2)C3)cnc1Cl ZINC001164775067 721303993 /nfs/dbraw/zinc/30/39/93/721303993.db2.gz NWZSOSMVDRUEOT-UHFFFAOYSA-N 0 1 405.898 2.606 20 0 HFADMN Cc1nc2ccsc2c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164889275 721380083 /nfs/dbraw/zinc/38/00/83/721380083.db2.gz LLIUQXRESJKKRE-UTKZUKDTSA-N 0 1 401.580 2.765 20 0 HFADMN CSc1nc(Cl)cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164893606 721382334 /nfs/dbraw/zinc/38/23/34/721382334.db2.gz WBNGAZPQQHLCAQ-BEFAXECRSA-N 0 1 412.003 2.617 20 0 HFADMN Cc1cc2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2s1 ZINC001164889574 721428313 /nfs/dbraw/zinc/42/83/13/721428313.db2.gz BUILMXJXPHKTSK-UTKZUKDTSA-N 0 1 401.580 2.765 20 0 HFADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5cccs5)ncn4)C3)O2)CC1 ZINC001164896697 721437930 /nfs/dbraw/zinc/43/79/30/721437930.db2.gz RTTUZHSMSMEGCJ-PGRDOPGGSA-N 0 1 413.591 2.971 20 0 HFADMN Cc1nc(-c2ccncc2)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164896708 721440844 /nfs/dbraw/zinc/44/08/44/721440844.db2.gz RUVAPWGOCJIISZ-URXFXBBRSA-N 0 1 422.577 2.612 20 0 HFADMN CN1CCN(Cc2cn3c(n2)CN(c2ccc(-c4ccc(Cl)cc4)nn2)CC3)CC1 ZINC001164794177 721509824 /nfs/dbraw/zinc/50/98/24/721509824.db2.gz JAJCAHDRRBNPPE-UHFFFAOYSA-N 0 1 423.952 2.761 20 0 HFADMN CN1CCN(Cc2cn3c(n2)CN(c2cccc(-c4cccc(Cl)n4)n2)CC3)CC1 ZINC001164794030 721514081 /nfs/dbraw/zinc/51/40/81/721514081.db2.gz BUDGJYDMCJYTCP-UHFFFAOYSA-N 0 1 423.952 2.761 20 0 HFADMN Cc1c(Cl)nc(C(C)(C)C)nc1N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001164799203 721518393 /nfs/dbraw/zinc/51/83/93/721518393.db2.gz YOKYMERMGBZRCP-UHFFFAOYSA-N 0 1 417.989 2.700 20 0 HFADMN CCOC(=O)/C=C\c1cccnc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164810699 721529961 /nfs/dbraw/zinc/52/99/61/721529961.db2.gz YBIXTFJXIDMEJS-UHIWMWCPSA-N 0 1 422.529 2.921 20 0 HFADMN COc1ccc2c(c1)ncnc2N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164810476 721554583 /nfs/dbraw/zinc/55/45/83/721554583.db2.gz YLELSKGWFQOGLQ-FDFHNCONSA-N 0 1 405.502 2.902 20 0 HFADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccnc(-c3cccnc3)n2)[C@H]2CCCO[C@H]12 ZINC001164806250 721561513 /nfs/dbraw/zinc/56/15/13/721561513.db2.gz PKTIYDBKSBBVNX-VWPQPMDRSA-N 0 1 402.502 2.802 20 0 HFADMN COC(OC)c1cc(C)cnc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164807307 721570683 /nfs/dbraw/zinc/57/06/83/721570683.db2.gz SOYSFHUCQNFGCV-HKBOAZHASA-N 0 1 412.534 2.945 20 0 HFADMN NC(=O)c1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907108 721585697 /nfs/dbraw/zinc/58/56/97/721585697.db2.gz RZSMJGWMARVRDT-LJQANCHMSA-N 0 1 421.879 2.967 20 0 HFADMN COc1ccc2c(ccnc2N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC001164913627 721774022 /nfs/dbraw/zinc/77/40/22/721774022.db2.gz YTNPWWKXSYWDJY-XMMPIXPASA-N 0 1 420.513 2.746 20 0 HFADMN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC001165039843 721905700 /nfs/dbraw/zinc/90/57/00/721905700.db2.gz WGGSDPPVHBATQY-QGZVFWFLSA-N 0 1 412.925 2.829 20 0 HFADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(C(=O)N(C)C)cn4)CC3)C2)cc1 ZINC001164939317 721925370 /nfs/dbraw/zinc/92/53/70/721925370.db2.gz IFAFCPCMOXHCGJ-UHFFFAOYSA-N 0 1 408.546 2.963 20 0 HFADMN CCOC(=O)c1cncc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164939375 721926184 /nfs/dbraw/zinc/92/61/84/721926184.db2.gz KPIFCIJBIYUEJY-UHFFFAOYSA-N 0 1 410.518 2.833 20 0 HFADMN CCOC(=O)Cc1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc1 ZINC001164940509 721927262 /nfs/dbraw/zinc/92/72/62/721927262.db2.gz SGRGAGWORMOFFV-UHFFFAOYSA-N 0 1 424.545 2.762 20 0 HFADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5c4C(C)(C)C(=O)N5)CC3)C2)cc1 ZINC001164939669 721929955 /nfs/dbraw/zinc/92/99/55/721929955.db2.gz NWKFQLYHFPUTHF-UHFFFAOYSA-N 0 1 421.545 2.886 20 0 HFADMN COc1cnc2c(c1)ncnc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962456 722058787 /nfs/dbraw/zinc/05/87/87/722058787.db2.gz SCTHNORSKDAVLS-UHFFFAOYSA-N 0 1 420.517 2.547 20 0 HFADMN COc1c(Cl)nc(C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981060 722117564 /nfs/dbraw/zinc/11/75/64/722117564.db2.gz SFHCFTPRGAATRX-SJORKVTESA-N 0 1 403.914 2.569 20 0 HFADMN COc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc21 ZINC001164973038 722125337 /nfs/dbraw/zinc/12/53/37/722125337.db2.gz GDJRDZYAJFEYTQ-GHTZIAJQSA-N 0 1 405.502 2.761 20 0 HFADMN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5[nH]cnc54)CC[C@@H]32)cs1 ZINC001164992086 722174933 /nfs/dbraw/zinc/17/49/33/722174933.db2.gz ZWHJCIZZJXJKMS-UONOGXRCSA-N 0 1 419.942 2.641 20 0 HFADMN CN(C)S(=O)(=O)c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc1 ZINC001164995365 722207872 /nfs/dbraw/zinc/20/78/72/722207872.db2.gz MOWVOTPTQREVGY-NRFANRHFSA-N 0 1 418.538 2.716 20 0 HFADMN C[C@H](CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000780406105 939117347 /nfs/dbraw/zinc/11/73/47/939117347.db2.gz JGSYVIMZHIPDMG-YLJYHZDGSA-N 0 1 402.539 2.530 20 0 HFADMN O=C([O-])[C@@]1(NC(=O)COc2ccc(Cl)cc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123371870 939821529 /nfs/dbraw/zinc/82/15/29/939821529.db2.gz DJBHFZIDBDCFIE-OAQYLSRUSA-N 0 1 402.878 2.954 20 0 HFADMN COCCOc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001123372781 939823143 /nfs/dbraw/zinc/82/31/43/939823143.db2.gz USZUJHPNDSVKID-QHCPKHFHSA-N 0 1 412.486 2.561 20 0 HFADMN O[C@@H](CNCc1cnn(Cc2ccccc2)c1Cl)COc1ccc2c(c1)OCO2 ZINC000790531394 1078052377 /nfs/dbraw/zinc/05/23/77/1078052377.db2.gz OIPPJAPOTVTDGW-KRWDZBQOSA-N 0 1 415.877 2.843 20 0 HFADMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC(c2cccnc2)=NO1 ZINC000790641711 1078090295 /nfs/dbraw/zinc/09/02/95/1078090295.db2.gz ADNOHFSTNGYDPP-MJGOQNOKSA-N 0 1 418.419 2.984 20 0 HFADMN CCCN1CCN(c2ccc(NC(=O)C3(S(C)(=O)=O)CCC3)cc2Cl)CC1 ZINC000793169159 1078093738 /nfs/dbraw/zinc/09/37/38/1078093738.db2.gz TUYYJNUJGSXSJK-UHFFFAOYSA-N 0 1 413.971 2.778 20 0 HFADMN COc1cccc2cc(CN[C@@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)oc21 ZINC000793247382 1078109497 /nfs/dbraw/zinc/10/94/97/1078109497.db2.gz NIKLBAXOMWRIKF-HXUWFJFHSA-N 0 1 411.506 2.752 20 0 HFADMN CC(C)COC(=O)N1CCC(N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000793265072 1078113694 /nfs/dbraw/zinc/11/36/94/1078113694.db2.gz FFMFTVNARDXKFF-MRXNPFEDSA-N 0 1 412.328 2.822 20 0 HFADMN COCCn1c(CCOc2ccccc2)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000793289380 1078119177 /nfs/dbraw/zinc/11/91/77/1078119177.db2.gz QNCIMBFIJIQVMN-UHFFFAOYSA-N 0 1 421.545 2.868 20 0 HFADMN CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC000793336070 1078143341 /nfs/dbraw/zinc/14/33/41/1078143341.db2.gz XQZOUPFCLNHCHV-SJLPKXTDSA-N 0 1 402.539 2.953 20 0 HFADMN COC(=O)[C@@]1(NC(=O)c2cnc(OC)c(Cl)c2)CCCN(Cc2ccccc2)C1 ZINC000790847314 1078146769 /nfs/dbraw/zinc/14/67/69/1078146769.db2.gz MLYYEOYQVPTSFG-OAQYLSRUSA-N 0 1 417.893 2.681 20 0 HFADMN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N[C@H]3CCCc4cn[nH]c43)cc2)C1=O ZINC000790890855 1078173126 /nfs/dbraw/zinc/17/31/26/1078173126.db2.gz BKYWDIDYDDKQOW-JTSKRJEESA-N 0 1 422.489 2.511 20 0 HFADMN O=C(NC[C@H]1CCCN(C(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000793464734 1078180582 /nfs/dbraw/zinc/18/05/82/1078180582.db2.gz AFEGZJBMQTWDCG-NOZJJQNGSA-N 0 1 413.223 2.944 20 0 HFADMN O=C(NC[C@H]1CCCN(C(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1)C(F)(F)F ZINC000793464746 1078180605 /nfs/dbraw/zinc/18/06/05/1078180605.db2.gz AFEGZJBMQTWDCG-RNCFNFMXSA-N 0 1 413.223 2.944 20 0 HFADMN COC(=O)c1ccc(CNC[C@H](O)COc2cccc(F)c2)c(Br)c1 ZINC000793584431 1078215229 /nfs/dbraw/zinc/21/52/29/1078215229.db2.gz OYELFOCJTYFPCN-HNNXBMFYSA-N 0 1 412.255 2.904 20 0 HFADMN COCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793584533 1078215282 /nfs/dbraw/zinc/21/52/82/1078215282.db2.gz OFQCQOGLBMMHOB-AEFFLSMTSA-N 0 1 404.942 2.948 20 0 HFADMN Cc1ccc([C@H](CNC(=O)C(=O)NC2CCC(O)(c3ccccc3)CC2)N(C)C)cc1 ZINC000793718253 1078263928 /nfs/dbraw/zinc/26/39/28/1078263928.db2.gz IDEKTVUKDBUQQK-YGWFNULRSA-N 0 1 423.557 2.661 20 0 HFADMN Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)N(C)C)cc1 ZINC000793719576 1078264817 /nfs/dbraw/zinc/26/48/17/1078264817.db2.gz LXYIWTFRTYIQTA-GOTSBHOMSA-N 0 1 423.557 2.998 20 0 HFADMN C[C@H](COc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000793694666 1078271310 /nfs/dbraw/zinc/27/13/10/1078271310.db2.gz MJFSSGJVWOESJO-TZIWHRDSSA-N 0 1 409.530 2.693 20 0 HFADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCN(C)C(=O)OCc2ccccc2)c1 ZINC000793705453 1078275498 /nfs/dbraw/zinc/27/54/98/1078275498.db2.gz QXTVRKRAPQHPHY-UHFFFAOYSA-N 0 1 420.487 2.783 20 0 HFADMN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000793787867 1078296487 /nfs/dbraw/zinc/29/64/87/1078296487.db2.gz DJQVHXYUOHXDIL-IBGZPJMESA-N 0 1 423.598 2.983 20 0 HFADMN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000793792510 1078298349 /nfs/dbraw/zinc/29/83/49/1078298349.db2.gz PIYUFKCKGXFTIJ-DXIQSLLYSA-N 0 1 409.530 2.515 20 0 HFADMN Cc1ccc([C@H](C)NC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)s1 ZINC000793867778 1078328564 /nfs/dbraw/zinc/32/85/64/1078328564.db2.gz RKAZAYYGACXDEJ-KRWDZBQOSA-N 0 1 407.580 2.633 20 0 HFADMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000793874341 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Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N(C)C)nc1Br ZINC000792947796 1078032579 /nfs/dbraw/zinc/03/25/79/1078032579.db2.gz PXIRUKCOOIPYPE-NSHDSACASA-N 0 1 411.325 2.572 20 0 HFADMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(=O)Nc1cccc(Br)n1 ZINC000792949363 1078032737 /nfs/dbraw/zinc/03/27/37/1078032737.db2.gz ZZFYRDYNWWMETH-GFCCVEGCSA-N 0 1 423.336 2.797 20 0 HFADMN C[C@@H]1CN(Cc2ccc(CNC(=O)C(=O)Nc3cccc(Cl)n3)cc2)C[C@@H](C)O1 ZINC000792952909 1078034164 /nfs/dbraw/zinc/03/41/64/1078034164.db2.gz WEADFRPZYQMOIK-HUUCEWRRSA-N 0 1 416.909 2.599 20 0 HFADMN COc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1S(=O)(=O)N(C)C ZINC000805254930 1079514420 /nfs/dbraw/zinc/51/44/20/1079514420.db2.gz GRXYVJDPZUDTIX-UHFFFAOYSA-N 0 1 402.831 2.696 20 0 HFADMN CNC(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 ZINC000806307672 1079559765 /nfs/dbraw/zinc/55/97/65/1079559765.db2.gz SNSLTGZJVLRDBO-IEBWSBKVSA-N 0 1 418.538 2.752 20 0 HFADMN Cc1ccccc1[C@@H](O)C1CCN(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000806323535 1079595860 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AEYRYHVXQRWHSD-SJLPKXTDSA-N 0 1 414.893 2.550 20 0 HFADMN CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001170519400 1080379661 /nfs/dbraw/zinc/37/96/61/1080379661.db2.gz PQTSOJRXPQZEAW-HXUWFJFHSA-N 0 1 400.567 2.662 20 0 HFADMN CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1cccc(-c2cn[nH]n2)c1)c1cnn(C)c1 ZINC000807224127 1080384026 /nfs/dbraw/zinc/38/40/26/1080384026.db2.gz PTORUKQBUXZQRK-KRWDZBQOSA-N 0 1 411.466 2.752 20 0 HFADMN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=S)s1 ZINC000747379289 1080385298 /nfs/dbraw/zinc/38/52/98/1080385298.db2.gz VYEYWGCDCBNAPL-CYBMUJFWSA-N 0 1 410.590 2.515 20 0 HFADMN O=C(CSc1n[nH]c(=S)s1)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000747381232 1080385938 /nfs/dbraw/zinc/38/59/38/1080385938.db2.gz IIUXJBQABJFYRP-UHFFFAOYSA-N 0 1 410.546 2.699 20 0 HFADMN CCOC(=O)C1=C(Nc2ncccc2C(=O)N(C)C)CCN(Cc2ccccc2)C1 ZINC001170521005 1080441057 /nfs/dbraw/zinc/44/10/57/1080441057.db2.gz DRFSYPVUHKFFIQ-UHFFFAOYSA-N 0 1 408.502 2.918 20 0 HFADMN O=C(CC1CCCC1)NC1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000747385743 1080456583 /nfs/dbraw/zinc/45/65/83/1080456583.db2.gz AKFGANDJEBSLDR-UHFFFAOYSA-N 0 1 400.595 2.606 20 0 HFADMN CCOC(=O)C1CN(Cc2ccccc2)CCC1=Nc1ccc(C(=O)NC(C)C)nn1 ZINC001170521977 1080492398 /nfs/dbraw/zinc/49/23/98/1080492398.db2.gz RVVKEBHXTNPQMT-UHFFFAOYSA-N 0 1 423.517 2.750 20 0 HFADMN CCOC(=O)C1=C(N=c2cc(-n3ccnc3)[nH]cn2)CCN(Cc2ccccc2)C1 ZINC001170522057 1080495463 /nfs/dbraw/zinc/49/54/63/1080495463.db2.gz VXVFHNVZANJWJM-UHFFFAOYSA-N 0 1 404.474 2.797 20 0 HFADMN CC[C@@H](C)N[C@@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)c1ccco1 ZINC000807310836 1080504281 /nfs/dbraw/zinc/50/42/81/1080504281.db2.gz UDWJFAKCKOWUQD-OCCSQVGLSA-N 0 1 423.311 2.930 20 0 HFADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1cnc(Br)c(C)c1)c1ccco1 ZINC000807310601 1080504312 /nfs/dbraw/zinc/50/43/12/1080504312.db2.gz NRXXVFIUWBLVOF-TZMCWYRMSA-N 0 1 423.311 2.930 20 0 HFADMN CCOC(=O)C1CN(Cc2ccccc2)CC=C1Nc1ccnc(C(=O)OC)c1C ZINC001170523051 1080569835 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HFADMN Cn1cc(CN2CC[C@@H]3CN(c4cncc(OCc5ccccc5)n4)C[C@H]3C2)cn1 ZINC001164766543 721093599 /nfs/dbraw/zinc/09/35/99/721093599.db2.gz KTPXMAADUPRKID-NHCUHLMSSA-N 0 1 404.518 2.747 20 0 HFADMN CCOC(=O)c1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c(Cl)c1 ZINC001164773312 721139394 /nfs/dbraw/zinc/13/93/94/721139394.db2.gz YEQYYQNRTQXRFU-RDJZCZTQSA-N 0 1 403.914 2.604 20 0 HFADMN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)cc(-c5ccncc5)n4)C[C@@H]3C2)cn1 ZINC001164759519 721237189 /nfs/dbraw/zinc/23/71/89/721237189.db2.gz ARTCWASUJRNOKV-MSOLQXFVSA-N 0 1 409.925 2.884 20 0 HFADMN Cc1c(Cl)nc(C(C)C)nc1N1CCC2(CC1)COCCN(CC(=O)N(C)C)C2 ZINC001164879646 721291836 /nfs/dbraw/zinc/29/18/36/721291836.db2.gz YFASAPFIIOJWLR-UHFFFAOYSA-N 0 1 423.989 2.569 20 0 HFADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4c3ccn4C)C2)C1 ZINC001164776399 721337845 /nfs/dbraw/zinc/33/78/45/721337845.db2.gz FFMGEYVBRXZVPA-JOCHJYFZSA-N 0 1 410.522 2.692 20 0 HFADMN CSc1nc(Cl)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164893608 721382610 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C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)C[C@H](C)O1 ZINC000780392082 939114401 /nfs/dbraw/zinc/11/44/01/939114401.db2.gz JELMFBGOKFJENC-FVJLSDCUSA-N 0 1 411.502 2.921 20 0 HFADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)C2)cc(OC)c1 ZINC000780648610 939142664 /nfs/dbraw/zinc/14/26/64/939142664.db2.gz BKDUDKJWZBGYJH-FXAWDEMLSA-N 0 1 419.522 2.611 20 0 HFADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)C2)cc(OC)c1 ZINC000780648610 939142665 /nfs/dbraw/zinc/14/26/65/939142665.db2.gz BKDUDKJWZBGYJH-FXAWDEMLSA-N 0 1 419.522 2.611 20 0 HFADMN C[C@](NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)(C(=O)[O-])C1CC1 ZINC000780672744 939144827 /nfs/dbraw/zinc/14/48/27/939144827.db2.gz JBPWBTDDXUJUES-LJQANCHMSA-N 0 1 424.339 2.966 20 0 HFADMN Cc1nc(CSCC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC001263627796 939827771 /nfs/dbraw/zinc/82/77/71/939827771.db2.gz XJZZUSQYEGGEOL-FQEVSTJZSA-N 0 1 419.572 2.920 20 0 HFADMN O=C([O-])[C@]1(NC(=O)c2cccc(-n3cccn3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001263627784 939828123 /nfs/dbraw/zinc/82/81/23/939828123.db2.gz WRAKJGKBVHOZRQ-QHCPKHFHSA-N 0 1 404.470 2.722 20 0 HFADMN O=S(=O)(N1CCC(NCc2c(F)cccc2Br)CC1)C(F)(F)F ZINC000793016297 1078050182 /nfs/dbraw/zinc/05/01/82/1078050182.db2.gz JUCJJLIMPJRWQB-UHFFFAOYSA-N 0 1 419.238 2.992 20 0 HFADMN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNCc3cc(-c4cccnc4)n[nH]3)cc2)C1=O ZINC000790607522 1078074366 /nfs/dbraw/zinc/07/43/66/1078074366.db2.gz DWERKFMGINVBKA-HSZRJFAPSA-N 0 1 416.485 2.986 20 0 HFADMN Cc1nn2c(CNCc3ccc(N4C(=O)N[C@@](C)(C5CC5)C4=O)cc3)c(C)nc2s1 ZINC000790611904 1078075545 /nfs/dbraw/zinc/07/55/45/1078075545.db2.gz YIKAHRLXDXVCAU-NRFANRHFSA-N 0 1 424.530 2.922 20 0 HFADMN CN1CCN(c2ccccc2NC(=O)C(=O)N2CCC(CC(F)(F)F)CC2)CC1 ZINC000793102858 1078077569 /nfs/dbraw/zinc/07/75/69/1078077569.db2.gz VUBQGCMSQXNFNM-UHFFFAOYSA-N 0 1 412.456 2.568 20 0 HFADMN CCOC(=O)C=Cc1ccc(NC(=O)C(=O)N2CCC(c3cn[nH]c3C)CC2)cc1 ZINC000793106810 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CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000793441859 1078172627 /nfs/dbraw/zinc/17/26/27/1078172627.db2.gz RRKGPADATLWZCC-HNNXBMFYSA-N 0 1 403.458 2.873 20 0 HFADMN Cc1cc([C@@H](C)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)n(C)n1 ZINC000793566942 1078211643 /nfs/dbraw/zinc/21/16/43/1078211643.db2.gz NUEWBZMKGSKLDG-ZBFHGGJFSA-N 0 1 419.492 2.863 20 0 HFADMN C[C@@H](COc1ccccc1)NC(=O)C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000793681944 1078252869 /nfs/dbraw/zinc/25/28/69/1078252869.db2.gz NWOXPSNSHPGKRX-PMACEKPBSA-N 0 1 409.530 2.693 20 0 HFADMN CCN(C(=O)C(=O)N[C@@H](C)COc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000793684928 1078255393 /nfs/dbraw/zinc/25/53/93/1078255393.db2.gz FPOPVRLBPLNPGJ-FPOVZHCZSA-N 0 1 409.530 2.693 20 0 HFADMN Cc1nc2c(s1)[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)CCC2 ZINC000793718758 1078264630 /nfs/dbraw/zinc/26/46/30/1078264630.db2.gz KFTLTUKHZRCSPE-ROUUACIJSA-N 0 1 400.548 2.673 20 0 HFADMN 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/nfs/dbraw/zinc/34/12/73/1078341273.db2.gz AIBDLQWWCJAKKG-UHFFFAOYSA-N 0 1 403.558 2.816 20 0 HFADMN CN1C(=O)CN(C(=O)c2cccc(I)c2O)[C@@H]1c1ccccc1 ZINC000793929549 1078340813 /nfs/dbraw/zinc/34/08/13/1078340813.db2.gz LZTCTFRIIFDMBD-MRXNPFEDSA-N 0 1 422.222 2.610 20 0 HFADMN CN(CC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1)[C@H]1CCSC1 ZINC000794047641 1078365502 /nfs/dbraw/zinc/36/55/02/1078365502.db2.gz KSCCIMUAQBYYSA-MOPGFXCFSA-N 0 1 405.564 2.589 20 0 HFADMN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000794182306 1078382472 /nfs/dbraw/zinc/38/24/72/1078382472.db2.gz QGPHHVBBDCJIKU-AWEZNQCLSA-N 0 1 421.460 2.763 20 0 HFADMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C[C@@H]3CCC[C@H](C)C3)OC)cc2)[nH]1 ZINC000794332699 1078416751 /nfs/dbraw/zinc/41/67/51/1078416751.db2.gz XJXQQFRGWNQQMQ-JKSUJKDBSA-N 0 1 415.490 2.711 20 0 HFADMN COc1cc(CCNC(=O)c2cn[nH]c2[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC001170447073 1078434190 /nfs/dbraw/zinc/43/41/90/1078434190.db2.gz RXULXJNVQIBHKV-HNNXBMFYSA-N 0 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1078000314 /nfs/dbraw/zinc/00/03/14/1078000314.db2.gz GYPXQBULGYTDSL-WDEREUQCSA-N 0 1 413.931 2.713 20 0 HFADMN C[C@H]1CN(c2cccc3cnccc32)CCN1CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000790390356 1078012985 /nfs/dbraw/zinc/01/29/85/1078012985.db2.gz STNACYNDJSBWLV-UUOWRZLLSA-N 0 1 421.545 2.619 20 0 HFADMN Cc1ccc(CCN(C[C@@H]2CCCO2)CN2C[C@]3(CN4CCC3CC4)OC2=O)cc1 ZINC000790365947 1078014985 /nfs/dbraw/zinc/01/49/85/1078014985.db2.gz IVWUKOJYYCKBGM-UPVQGACJSA-N 0 1 413.562 2.893 20 0 HFADMN C[C@H](c1ccccc1Cl)N1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000790365349 1078015069 /nfs/dbraw/zinc/01/50/69/1078015069.db2.gz FYVLGGPXLVZWKX-VGSWGCGISA-N 0 1 418.969 2.893 20 0 HFADMN COc1ccc([C@@H]2CCCN2CN2C[C@]3(CN4CCC3CC4)OC2=O)c(OC)c1 ZINC000790367853 1078015538 /nfs/dbraw/zinc/01/55/38/1078015538.db2.gz LYHZATJEOJNNJF-UGKGYDQZSA-N 0 1 401.507 2.715 20 0 HFADMN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cn1 ZINC000790428716 1078020011 /nfs/dbraw/zinc/02/00/11/1078020011.db2.gz JYNCSNLGNTYENI-IIBYNOLFSA-N 0 1 410.522 2.811 20 0 HFADMN CN(C(=O)CN1CC[C@]2(C1)CCCOC2)c1ccccc1C(=O)NCc1ccco1 ZINC000792939208 1078022060 /nfs/dbraw/zinc/02/20/60/1078022060.db2.gz GOPHTJVJKBJKKR-QHCPKHFHSA-N 0 1 411.502 2.675 20 0 HFADMN O=S(=O)(Nc1ccc(F)nc1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000790397169 1078024658 /nfs/dbraw/zinc/02/46/58/1078024658.db2.gz BBNJBZQQOQZWGU-UHFFFAOYSA-N 0 1 413.496 2.586 20 0 HFADMN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)N[C@@H]2CCCc3cn[nH]c32)cn1 ZINC000790429494 1078028499 /nfs/dbraw/zinc/02/84/99/1078028499.db2.gz QUEGTTKGWUASMU-UXHICEINSA-N 0 1 408.506 2.949 20 0 HFADMN NC(=O)c1ccccc1NC(=O)CN[C@H](c1cncc(Br)c1)C1CC1 ZINC000792934070 1078028705 /nfs/dbraw/zinc/02/87/05/1078028705.db2.gz KYAQQEAKCNUNCF-KRWDZBQOSA-N 0 1 403.280 2.622 20 0 HFADMN O=C(CN[C@H](c1cncc(Br)c1)C1CC1)NC1CCC2(CC1)OCCO2 ZINC000792935868 1078029113 /nfs/dbraw/zinc/02/91/13/1078029113.db2.gz RAFANVJZHUZGFK-SFHVURJKSA-N 0 1 424.339 2.687 20 0 HFADMN COc1cccc([C@@H](C)N2CCN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC2)c1 ZINC000792971987 1078029982 /nfs/dbraw/zinc/02/99/82/1078029982.db2.gz DZCCDPHSKMVSKH-MJGOQNOKSA-N 0 1 407.555 2.650 20 0 HFADMN COC(=O)c1c2cnn(CN3CCC[C@@H](CCC(N)=O)C3)c2ccc1Br ZINC000790438319 1078031397 /nfs/dbraw/zinc/03/13/97/1078031397.db2.gz ILGQYCQUFKKXKC-LBPRGKRZSA-N 0 1 423.311 2.520 20 0 HFADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(F)n2)N2CCCCC2)cc1 ZINC000792947794 1078032426 /nfs/dbraw/zinc/03/24/26/1078032426.db2.gz PWZPXWDDANATMV-QGZVFWFLSA-N 0 1 400.454 2.511 20 0 HFADMN CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Br)n2)N(C)C)cc1 ZINC000792948459 1078032518 /nfs/dbraw/zinc/03/25/18/1078032518.db2.gz VBCHDMNTVRNZGQ-OAHLLOKOSA-N 0 1 419.323 2.764 20 0 HFADMN COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)N2CCCC2)cc1 ZINC000792948472 1078032540 /nfs/dbraw/zinc/03/25/40/1078032540.db2.gz VDGKDDBFGIJBJJ-MRXNPFEDSA-N 0 1 402.882 2.635 20 0 HFADMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)nc1Br ZINC000792947805 1078032558 /nfs/dbraw/zinc/03/25/58/1078032558.db2.gz QOMKYALQJLIJLM-AWEZNQCLSA-N 0 1 423.286 2.649 20 0 HFADMN O=C(Nc1cccc(Br)n1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000792955041 1078034912 /nfs/dbraw/zinc/03/49/12/1078034912.db2.gz ACAYVMRJIVHCII-UHFFFAOYSA-N 0 1 417.307 2.517 20 0 HFADMN COc1ccc([C@H](C[NH+](C)C)[N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000790473113 1078039260 /nfs/dbraw/zinc/03/92/60/1078039260.db2.gz OXMAIKKAPSZMKC-NSHDSACASA-N 0 1 424.391 2.972 20 0 HFADMN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)c(O)cc3F)C2=O)cc1 ZINC000805257228 1079544020 /nfs/dbraw/zinc/54/40/20/1079544020.db2.gz VCYDODXDBCENAK-LJQANCHMSA-N 0 1 405.813 2.899 20 0 HFADMN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000806307348 1079560060 /nfs/dbraw/zinc/56/00/60/1079560060.db2.gz CEWSIOSAMSWHCU-UYAOXDASSA-N 0 1 420.554 2.950 20 0 HFADMN CNC(=O)OC[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000806292577 1079580689 /nfs/dbraw/zinc/58/06/89/1079580689.db2.gz FHXKHWUFQDNUGT-ICSRJNTNSA-N 0 1 418.538 2.752 20 0 HFADMN C[C@H]1CCN(C(=O)Nc2cnn(-c3ccccn3)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000806295267 1079582278 /nfs/dbraw/zinc/58/22/78/1079582278.db2.gz WZHOTIVYQFHZJC-HUBLWGQQSA-N 0 1 410.400 2.577 20 0 HFADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NC[C@@H]1COc2ccccc2C1 ZINC000806334456 1079606365 /nfs/dbraw/zinc/60/63/65/1079606365.db2.gz PBNMAFJTOCFNGU-JOCHJYFZSA-N 0 1 422.573 2.697 20 0 HFADMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000806381730 1079631361 /nfs/dbraw/zinc/63/13/61/1079631361.db2.gz MZDNFAOHUOUEJQ-UHFFFAOYSA-N 0 1 419.533 2.549 20 0 HFADMN CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000806359519 1079647834 /nfs/dbraw/zinc/64/78/34/1079647834.db2.gz BMQLSZHIMNPYDX-QRVBRYPASA-N 0 1 412.575 2.576 20 0 HFADMN COc1ccccc1[C@H](CNC(=O)N=c1ccnc2n(C)[nH]cc1-2)N1CCCCC1 ZINC000806489768 1079740764 /nfs/dbraw/zinc/74/07/64/1079740764.db2.gz CIWAKEXYDOBBMO-IBGZPJMESA-N 0 1 408.506 2.699 20 0 HFADMN Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)ccnc1-2 ZINC000806490760 1079741974 /nfs/dbraw/zinc/74/19/74/1079741974.db2.gz LXLIWIYYMDCNCH-DFQSSKMNSA-N 0 1 404.518 2.764 20 0 HFADMN Cn1[n-]cc2c(=NC(=O)N[C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccnc1-2 ZINC000806490760 1079741977 /nfs/dbraw/zinc/74/19/77/1079741977.db2.gz LXLIWIYYMDCNCH-DFQSSKMNSA-N 0 1 404.518 2.764 20 0 HFADMN O=C(Nc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1)OCC(F)(F)F ZINC000747333184 1079742373 /nfs/dbraw/zinc/74/23/73/1079742373.db2.gz WUVQETJGMYTDBR-UHFFFAOYSA-N 0 1 415.412 2.734 20 0 HFADMN O=C(N[C@H](c1nnn[n-]1)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544873 1079783437 /nfs/dbraw/zinc/78/34/37/1079783437.db2.gz AHZWCIZZVNPKPM-MSOLQXFVSA-N 0 1 412.444 2.563 20 0 HFADMN O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000806544873 1079783447 /nfs/dbraw/zinc/78/34/47/1079783447.db2.gz AHZWCIZZVNPKPM-MSOLQXFVSA-N 0 1 412.444 2.563 20 0 HFADMN O=C(N[C@H](c1nn[n-]n1)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000806544873 1079783459 /nfs/dbraw/zinc/78/34/59/1079783459.db2.gz AHZWCIZZVNPKPM-MSOLQXFVSA-N 0 1 412.444 2.563 20 0 HFADMN CCC1(CC)NC(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)C1=O ZINC001130668174 1079818872 /nfs/dbraw/zinc/81/88/72/1079818872.db2.gz DVEZVUIOAAYSDJ-OKZBNKHCSA-N 0 1 414.550 2.607 20 0 HFADMN O=C([C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N1CCN(C2CCOCC2)CC1 ZINC000747334731 1079834236 /nfs/dbraw/zinc/83/42/36/1079834236.db2.gz NRSLAFSYUUMSSF-SFHVURJKSA-N 0 1 412.317 2.810 20 0 HFADMN Cc1ncncc1C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001130690632 1079853046 /nfs/dbraw/zinc/85/30/46/1079853046.db2.gz VLEUBLWKSCVDNK-HOCLYGCPSA-N 0 1 410.371 2.601 20 0 HFADMN C[C@H](NCc1ccncc1OC[C@@H]1CCOC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000806659616 1079876714 /nfs/dbraw/zinc/87/67/14/1079876714.db2.gz AWNWXFAYIJYGNX-XZDHIHRUSA-N 0 1 411.546 2.876 20 0 HFADMN CC(C)C(=O)Nc1cc(C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)ccn1 ZINC001130733710 1079973128 /nfs/dbraw/zinc/97/31/28/1079973128.db2.gz WZWXWPGNNNCMDM-RTWAWAEBSA-N 0 1 422.529 2.792 20 0 HFADMN CCN(C)C(=O)c1cccc(NC(=O)N2CCC(CCN3CCOCC3)CC2)c1 ZINC000806773962 1079993280 /nfs/dbraw/zinc/99/32/80/1079993280.db2.gz HCKNJHKZWPBSTH-UHFFFAOYSA-N 0 1 402.539 2.745 20 0 HFADMN COc1ccc2cc(NC(=O)C(=O)N3CCCN(C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000806849879 1080035882 /nfs/dbraw/zinc/03/58/82/1080035882.db2.gz JDVULHRSLCLADV-NRFANRHFSA-N 0 1 411.502 2.500 20 0 HFADMN COc1ccc2cc(NC(=O)C(=O)NCc3n[nH]c(-c4ccccc4)n3)ccc2c1 ZINC000806905366 1080111508 /nfs/dbraw/zinc/11/15/08/1080111508.db2.gz HTLDQGQYDWNBAE-UHFFFAOYSA-N 0 1 401.426 2.888 20 0 HFADMN COc1ccc2cc(NC(=O)C(=O)NCc3nc(-c4ccccc4)n[nH]3)ccc2c1 ZINC000806905366 1080111519 /nfs/dbraw/zinc/11/15/19/1080111519.db2.gz HTLDQGQYDWNBAE-UHFFFAOYSA-N 0 1 401.426 2.888 20 0 HFADMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCc2c(C)cccc2C)c1 ZINC000806942929 1080150315 /nfs/dbraw/zinc/15/03/15/1080150315.db2.gz JUVCLXMCDVPNOK-UHFFFAOYSA-N 0 1 410.518 2.839 20 0 HFADMN C[C@H](O)CN1CCN(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000806945005 1080155164 /nfs/dbraw/zinc/15/51/64/1080155164.db2.gz GRKPVRGBZRGFLQ-IRXDYDNUSA-N 0 1 420.554 2.673 20 0 HFADMN CCN(CCNC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C)CCC(F)(F)F ZINC000807176736 1080330658 /nfs/dbraw/zinc/33/06/58/1080330658.db2.gz GMXVHSKAEDIPJJ-KBPBESRZSA-N 0 1 410.481 2.958 20 0 HFADMN COc1ccc(C2=NO[C@H](CNC(=O)N(C)CCCN(C)Cc3ccco3)C2)cc1 ZINC000807214628 1080366475 /nfs/dbraw/zinc/36/64/75/1080366475.db2.gz PEGAVJSCYMCKRH-FQEVSTJZSA-N 0 1 414.506 2.945 20 0 HFADMN COc1cccc([C@@H](C)N2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)c1 ZINC000747379813 1080384698 /nfs/dbraw/zinc/38/46/98/1080384698.db2.gz GSWJEVUPNXBQKF-GFCCVEGCSA-N 0 1 410.590 2.833 20 0 HFADMN Cc1nc(C(C)(C)NC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)sc1C ZINC000807277954 1080433587 /nfs/dbraw/zinc/43/35/87/1080433587.db2.gz DHCBKVUKZBODEX-UHFFFAOYSA-N 0 1 415.563 2.502 20 0 HFADMN CCc1cc(Br)c(C)nc1NC(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC001130890270 1080462405 /nfs/dbraw/zinc/46/24/05/1080462405.db2.gz PWWSMQKASJKUEQ-UHFFFAOYSA-N 0 1 413.297 2.734 20 0 HFADMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1cccc(NC(=O)OC)c1C)c1ccco1 ZINC000807310397 1080503605 /nfs/dbraw/zinc/50/36/05/1080503605.db2.gz HQNKYVVZRHWIKB-SUMWQHHRSA-N 0 1 416.478 2.950 20 0 HFADMN CC[C@H](C)N[C@H](CNC(=O)C(=O)Nc1cnc(Br)cc1C)c1ccco1 ZINC000807310834 1080504549 /nfs/dbraw/zinc/50/45/49/1080504549.db2.gz UDWJFAKCKOWUQD-GXTWGEPZSA-N 0 1 423.311 2.930 20 0 HFADMN CC[C@@H](C)N[C@H](CNC(=O)C(=O)Nc1ccc(NC(C)=O)c(C)c1)c1ccco1 ZINC000807312894 1080506493 /nfs/dbraw/zinc/50/64/93/1080506493.db2.gz UJRXGMHZDRVWBR-RDTXWAMCSA-N 0 1 400.479 2.731 20 0 HFADMN CCCN(CCN1CCCCC1)C(=O)C(=O)Nc1cnc(Br)c(C)c1 ZINC000807359123 1080520053 /nfs/dbraw/zinc/52/00/53/1080520053.db2.gz SJSYSIKPEGRJOB-UHFFFAOYSA-N 0 1 411.344 2.816 20 0 HFADMN CCOC(=O)c1ccnc(N=C2CCN(Cc3ccccc3)CC2C(=O)OCC)n1 ZINC001170522520 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/nfs/dbraw/zinc/58/05/93/1080580593.db2.gz KATIGTAZXOIDHS-UHFFFAOYSA-N 0 1 419.684 2.969 20 0 HFADMN CC(C)CCOC(=O)CNS(=O)(=O)c1c(F)cc(F)cc1Br ZINC000807389929 1080585714 /nfs/dbraw/zinc/58/57/14/1080585714.db2.gz PYBQTHMXQRQVGF-UHFFFAOYSA-N 0 1 400.241 2.595 20 0 HFADMN C[C@@H](O)c1cc(NC(=O)C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)ccc1F ZINC000807399909 1080595600 /nfs/dbraw/zinc/59/56/00/1080595600.db2.gz OTQRNBBGBGCXEJ-XIKOKIGWSA-N 0 1 401.438 2.841 20 0 HFADMN CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)c1ccco1 ZINC000807444849 1080665586 /nfs/dbraw/zinc/66/55/86/1080665586.db2.gz KHVDUTHEEJAITJ-UKRRQHHQSA-N 0 1 418.460 2.809 20 0 HFADMN Cc1ccc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)c(Br)n1 ZINC000807487028 1080669441 /nfs/dbraw/zinc/66/94/41/1080669441.db2.gz ONBMSMAFTOGAOJ-HNNXBMFYSA-N 0 1 423.286 2.649 20 0 HFADMN Cc1ccc(Cl)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000807492163 1080681137 /nfs/dbraw/zinc/68/11/37/1080681137.db2.gz AQJQFOUIZZNGES-MJVIPROJSA-N 0 1 419.831 2.891 20 0 HFADMN C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(F)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000807492903 1080683744 /nfs/dbraw/zinc/68/37/44/1080683744.db2.gz KWHPVVROZKDXAL-RVBZMBCESA-N 0 1 423.794 2.722 20 0 HFADMN Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1Cl ZINC000807493572 1080685712 /nfs/dbraw/zinc/68/57/12/1080685712.db2.gz VKVOAUKGYWKTHA-MJVIPROJSA-N 0 1 419.831 2.891 20 0 HFADMN CC(C)Oc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)n2)N(C)C)cc1 ZINC000807509445 1080711388 /nfs/dbraw/zinc/71/13/88/1080711388.db2.gz JPPHGOXOMXSZNY-INIZCTEOSA-N 0 1 404.898 2.880 20 0 HFADMN CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1 ZINC000807485345 1080740746 /nfs/dbraw/zinc/74/07/46/1080740746.db2.gz DUAXOCMFTZMYKG-SFHVURJKSA-N 0 1 416.453 2.752 20 0 HFADMN CCCOC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC000807543975 1080759854 /nfs/dbraw/zinc/75/98/54/1080759854.db2.gz PEMTXFOYQOQRSZ-UWJYYQICSA-N 0 1 423.513 2.971 20 0 HFADMN C[C@@H]1CN(C(=O)CSc2n[nH]c(=S)s2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000747401640 1080760987 /nfs/dbraw/zinc/76/09/87/1080760987.db2.gz LKLAPPURRDSRLN-NXEZZACHSA-N 0 1 404.583 2.681 20 0 HFADMN COC[C@@]1(CNC(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)CCCN1C(=O)OC(C)(C)C ZINC000807550353 1080766028 /nfs/dbraw/zinc/76/60/28/1080766028.db2.gz FZGQFTVZQKVKFQ-VLIAUNLRSA-N 0 1 424.546 2.704 20 0 HFADMN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)cc1 ZINC000807563450 1080817906 /nfs/dbraw/zinc/81/79/06/1080817906.db2.gz DHQXVHCBIVABMN-NSHDSACASA-N 0 1 417.512 2.909 20 0 HFADMN C[C@](CO)(Cc1ccc(F)cc1)NCc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC001176597712 1126150335 /nfs/dbraw/zinc/15/03/35/1126150335.db2.gz IJVIKSGMRDHHMF-OAQYLSRUSA-N 0 1 418.490 2.968 20 0 HFADMN O=c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)nc2ccc(Cl)cn12 ZINC001560100060 1126207676 /nfs/dbraw/zinc/20/76/76/1126207676.db2.gz DCOIRFUULLOKOE-QAPCUYQASA-N 0 1 411.811 2.972 20 0 HFADMN