smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000008885128 1066488881 /nfs/dbraw/zinc/48/88/81/1066488881.db2.gz OOUJYGIPJWSBSN-UHFFFAOYSA-N 0 0 500.005 3.966 20 0 KHADRN O=C(CSc1nccn1-c1ccc(Cl)cc1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000010378912 1066532495 /nfs/dbraw/zinc/53/24/95/1066532495.db2.gz DUEPNWQWJJCJNP-PDGQHHTCSA-N 0 0 500.005 3.866 20 0 KHADRN O=C(CSc1nccn1-c1cccc(Cl)c1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000010380372 1066532636 /nfs/dbraw/zinc/53/26/36/1066532636.db2.gz RRNSURXYUGUDDA-WQRHYEAKSA-N 0 0 500.005 3.866 20 0 KHADRN O=C(CSc1nncn1-c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000011427299 1066532480 /nfs/dbraw/zinc/53/24/80/1066532480.db2.gz KYIHBEOYKMMAPU-PDGQHHTCSA-N 0 0 500.005 3.866 20 0 KHADRN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000013619810 1066488872 /nfs/dbraw/zinc/48/88/72/1066488872.db2.gz GHDXEFBCFHEDFJ-SVBPBHIXSA-N 0 0 508.615 3.791 20 0 KHADRN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000013619813 1066488800 /nfs/dbraw/zinc/48/88/00/1066488800.db2.gz GHDXEFBCFHEDFJ-KAYWLYCHSA-N 0 0 508.615 3.791 20 0 KHADRN Cc1cc(C)n2c(nnc2SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n1 ZINC000015277534 1066196105 /nfs/dbraw/zinc/19/61/05/1066196105.db2.gz RSXGEHMONNUABD-UHFFFAOYSA-N 0 0 509.057 3.690 20 0 KHADRN CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000015278429 1066196131 /nfs/dbraw/zinc/19/61/31/1066196131.db2.gz JDIRPHLIKKBYNQ-UHFFFAOYSA-N 0 0 503.024 3.766 20 0 KHADRN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000018085143 1066488844 /nfs/dbraw/zinc/48/88/44/1066488844.db2.gz GHDXEFBCFHEDFJ-MKPDMIMOSA-N 0 0 508.615 3.791 20 0 KHADRN O=C(CSc1ncn(-c2ccccc2)n1)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000021756267 1066533263 /nfs/dbraw/zinc/53/32/63/1066533263.db2.gz IJIUZTWSXBCLDI-PDGQHHTCSA-N 0 0 500.005 3.866 20 0 KHADRN C[C@@H]1Cc2cc(C(=O)C(C(=S)Nc3ccccc3F)[n+]3cccc([O-])c3)ccc2N1S(C)(=O)=O ZINC000027097837 1066319599 /nfs/dbraw/zinc/31/95/99/1066319599.db2.gz JYMYXNYKEJZYND-OAHLLOKOSA-O 0 0 500.597 3.580 20 0 KHADRN C[C@H]1Cc2cc(C(=O)C(C(=S)Nc3ccccc3F)[n+]3cccc([O-])c3)ccc2N1S(C)(=O)=O ZINC000027097844 1066319479 /nfs/dbraw/zinc/31/94/79/1066319479.db2.gz JYMYXNYKEJZYND-HNNXBMFYSA-O 0 0 500.597 3.580 20 0 KHADRN CCS(=O)(=O)N1CCc2cc(C(=O)C(C(=S)Nc3ccccc3F)[n+]3cccc([O-])c3)ccc21 ZINC000027097878 1066319618 /nfs/dbraw/zinc/31/96/18/1066319618.db2.gz DCXINEMNSRIXNC-UHFFFAOYSA-O 0 0 500.597 3.582 20 0 KHADRN CS(=O)(=O)N1CCCc2cc(C(=O)C(C(=S)Nc3ccccc3F)[n+]3cccc([O-])c3)ccc21 ZINC000027098153 1066319768 /nfs/dbraw/zinc/31/97/68/1066319768.db2.gz CYOYTOBPXDVYDT-UHFFFAOYSA-O 0 0 500.597 3.582 20 0 KHADRN C[C@@H]1Cc2cc(C(=O)C(C(=S)Nc3ccc(F)cc3)[n+]3cccc([O-])c3)ccc2N1S(C)(=O)=O ZINC000027193100 1066320264 /nfs/dbraw/zinc/32/02/64/1066320264.db2.gz ZRQVUDMQQOQJTF-OAHLLOKOSA-O 0 0 500.597 3.580 20 0 KHADRN C[C@H]1Cc2cc(C(=O)C(C(=S)Nc3ccc(F)cc3)[n+]3cccc([O-])c3)ccc2N1S(C)(=O)=O ZINC000027193102 1066320294 /nfs/dbraw/zinc/32/02/94/1066320294.db2.gz ZRQVUDMQQOQJTF-HNNXBMFYSA-O 0 0 500.597 3.580 20 0 KHADRN CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc(N)sc2C(=O)C(C)(C)C)o1 ZINC000043127515 1066882373 /nfs/dbraw/zinc/88/23/73/1066882373.db2.gz CTKZZUXRWBCFEI-UHFFFAOYSA-N 0 0 556.622 3.895 20 0 investigational KHADRN C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)N1CC(F)(F)F ZINC000095598454 553705313 /nfs/dbraw/zinc/70/53/13/553705313.db2.gz DDOOFTLHJSMHLN-ZQHRPCGSSA-N 0 0 549.553 3.531 20 0 in-man KHADRN O=C(Nc1cccc(Cl)c1-n1cncn1)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000116879650 1066493396 /nfs/dbraw/zinc/49/33/96/1066493396.db2.gz QCZMEAKDQDNRRY-UHFFFAOYSA-N 0 0 500.005 3.982 20 0 KHADRN O=C(CSc1nncn1-c1ccccc1)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000207594713 1066533115 /nfs/dbraw/zinc/53/31/15/1066533115.db2.gz KYIHBEOYKMMAPU-LDADJPATSA-N 0 0 500.005 3.866 20 0 KHADRN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1I ZINC000392401747 1066506158 /nfs/dbraw/zinc/50/61/58/1066506158.db2.gz RYZLPYKSBADVSP-HNNXBMFYSA-N 0 0 521.218 3.919 20 0 KHADRN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(Br)ccc1I ZINC000392401748 1066506177 /nfs/dbraw/zinc/50/61/77/1066506177.db2.gz RYZLPYKSBADVSP-OAHLLOKOSA-N 0 0 521.218 3.919 20 0 KHADRN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 ZINC000479842133 1066494944 /nfs/dbraw/zinc/49/49/44/1066494944.db2.gz YRTSZWKHYODVEH-UHFFFAOYSA-N 0 0 500.005 3.966 20 0 KHADRN NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 ZINC000480000747 1066495034 /nfs/dbraw/zinc/49/50/34/1066495034.db2.gz GIZZVHCJKRKXOU-UHFFFAOYSA-N 0 0 500.005 3.966 20 0 KHADRN O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000498337312 1066498722 /nfs/dbraw/zinc/49/87/22/1066498722.db2.gz VOKPVFCVJDXEDI-UHFFFAOYSA-N 0 0 500.005 3.982 20 0 KHADRN CCCCn1c(N)c(N(CC(C)C)C(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)c(=O)[nH]c1=O ZINC000499314638 1066498871 /nfs/dbraw/zinc/49/88/71/1066498871.db2.gz ULORCUZMQYPQCE-UHFFFAOYSA-N 0 0 500.003 3.746 20 0 KHADRN CC(C)CN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000499320049 1066498777 /nfs/dbraw/zinc/49/87/77/1066498777.db2.gz ZNMFGJYMGVJFAT-UHFFFAOYSA-N 0 0 500.003 3.601 20 0 KHADRN CCCCN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000499331297 1066500996 /nfs/dbraw/zinc/50/09/96/1066500996.db2.gz UKFDVBGMGPJPIV-UHFFFAOYSA-N 0 0 500.003 3.890 20 0 KHADRN CCCCN(C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000499335163 1066498844 /nfs/dbraw/zinc/49/88/44/1066498844.db2.gz WCAVLSLDLDDPNB-UHFFFAOYSA-N 0 0 500.003 3.746 20 0 KHADRN O=C(Nc1nnc(-c2ccsc2)s1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000503021633 1066864850 /nfs/dbraw/zinc/86/48/50/1066864850.db2.gz ZDFHPOLBLXITIW-UHFFFAOYSA-N 0 0 500.009 3.820 20 0 KHADRN COc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1-n1nnnc1C ZINC000509972746 1066328317 /nfs/dbraw/zinc/32/83/17/1066328317.db2.gz XGKBZRSSKUHHDE-NRFANRHFSA-N 0 0 500.003 3.606 20 0 KHADRN COc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)cc1-n1nnnc1C ZINC000509972747 1066328080 /nfs/dbraw/zinc/32/80/80/1066328080.db2.gz XGKBZRSSKUHHDE-OAQYLSRUSA-N 0 0 500.003 3.606 20 0 KHADRN CCCCN(C(=O)CSc1nnc(Nc2ccccc2F)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514290750 1066865469 /nfs/dbraw/zinc/86/54/69/1066865469.db2.gz ACLICNSUHIVRHW-UHFFFAOYSA-N 0 0 521.644 3.847 20 0 KHADRN O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)N1CCN(C(=O)CSc2nnc(CN3CCCC3)n2-c2ccccc2)CC1 ZINC000514290754 1066361598 /nfs/dbraw/zinc/36/15/98/1066361598.db2.gz AIRWOGIKPDBIFP-UHFFFAOYSA-N 0 0 686.912 3.595 20 0 KHADRN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)CC1 ZINC000514290779 1066361404 /nfs/dbraw/zinc/36/14/04/1066361404.db2.gz BIMIPWUVBASGEL-GOSISDBHSA-N 0 0 536.720 3.513 20 0 KHADRN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)CC1 ZINC000514290780 1066361306 /nfs/dbraw/zinc/36/13/06/1066361306.db2.gz BIMIPWUVBASGEL-SFHVURJKSA-N 0 0 536.720 3.513 20 0 KHADRN CCCCCn1c(SCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2sc3c(c2c1=O)CCC3 ZINC000514290781 1066361483 /nfs/dbraw/zinc/36/14/83/1066361483.db2.gz BIVNJXKOGIFVAX-UHFFFAOYSA-N 0 0 624.789 3.801 20 0 KHADRN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1)NC1CCCCC1 ZINC000514290801 1066361383 /nfs/dbraw/zinc/36/13/83/1066361383.db2.gz ABDBUNLUBSGQRQ-UHFFFAOYSA-N 0 0 573.716 3.694 20 0 KHADRN CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000514290804 1066361454 /nfs/dbraw/zinc/36/14/54/1066361454.db2.gz AEVLUYTWHCYXPC-UHFFFAOYSA-N 0 0 509.053 3.770 20 0 KHADRN CCCn1c(CCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514290820 1066360636 /nfs/dbraw/zinc/36/06/36/1066360636.db2.gz AKKJXEZYIOQJLP-UHFFFAOYSA-N 0 0 563.746 3.607 20 0 KHADRN CCCCCn1c2nnc(S[C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2c2ccccc2c1=O ZINC000514290831 1066360596 /nfs/dbraw/zinc/36/05/96/1066360596.db2.gz CEZPOVUHVYNQHB-KRWDZBQOSA-N 0 0 542.687 3.604 20 0 KHADRN CCCCCn1c2nnc(S[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)n2c2ccccc2c1=O ZINC000514290836 1066360496 /nfs/dbraw/zinc/36/04/96/1066360496.db2.gz CEZPOVUHVYNQHB-QGZVFWFLSA-N 0 0 542.687 3.604 20 0 KHADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000514290858 1066360560 /nfs/dbraw/zinc/36/05/60/1066360560.db2.gz ASGSSENHFYSUAM-UHFFFAOYSA-N 0 0 534.685 3.511 20 0 KHADRN CCOC(=O)C1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(Cl)c2)CC1 ZINC000514290859 1066360710 /nfs/dbraw/zinc/36/07/10/1066360710.db2.gz AUCPQRQHOWMBOX-UHFFFAOYSA-N 0 0 516.019 3.942 20 0 KHADRN CCc1ccc(OCc2nnc(SCC(=O)N(CC)CC(=O)NC(C)C)n2Cc2ccccc2)cc1 ZINC000514290872 1066360727 /nfs/dbraw/zinc/36/07/27/1066360727.db2.gz AXBVHAZJXRXJJN-UHFFFAOYSA-N 0 0 509.676 3.933 20 0 KHADRN COC(=O)c1sc2nc(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3C3CCCC3)[nH]c(=O)c2c1C ZINC000514290873 1066360537 /nfs/dbraw/zinc/36/05/37/1066360537.db2.gz ATPZUJIOEJUFRS-UHFFFAOYSA-N 0 0 630.774 3.766 20 0 KHADRN CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514290879 1066360547 /nfs/dbraw/zinc/36/05/47/1066360547.db2.gz CNIIBPJISBXKTM-GOSISDBHSA-N 0 0 616.810 3.798 20 0 KHADRN CC(C)CN(C(=O)CSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514290886 1066360654 /nfs/dbraw/zinc/36/06/54/1066360654.db2.gz CNIIBPJISBXKTM-SFHVURJKSA-N 0 0 616.810 3.798 20 0 KHADRN COc1cc2nc(SCC(=O)NCCCN3CCCC3=O)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000514290887 1066360464 /nfs/dbraw/zinc/36/04/64/1066360464.db2.gz COKUUFJRNVWBOS-UHFFFAOYSA-N 0 0 528.675 3.525 20 0 KHADRN COc1ccc(CCNc2nnc(SCC(=O)NCC(=O)Nc3c(C)cc(C)cc3C)s2)cc1OC ZINC000514290898 1066865373 /nfs/dbraw/zinc/86/53/73/1066865373.db2.gz CRBQOFCYJSZMJV-UHFFFAOYSA-N 0 0 529.688 3.982 20 0 KHADRN CCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2C2CCCCC2)c(=O)[nH]c1=O ZINC000514290900 1066329385 /nfs/dbraw/zinc/32/93/85/1066329385.db2.gz AWEVCOWQWPIFBH-UHFFFAOYSA-N 0 0 528.635 3.697 20 0 KHADRN CCn1c(CCC(=O)Nc2ccccc2N2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514290905 1066360005 /nfs/dbraw/zinc/36/00/05/1066360005.db2.gz AXKYOLFKTFMFDI-UHFFFAOYSA-N 0 0 525.675 3.639 20 0 KHADRN CCCCn1c(CCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514290907 1066360203 /nfs/dbraw/zinc/36/02/03/1066360203.db2.gz ABVWOCWAJDLNCJ-UHFFFAOYSA-N 0 0 569.728 3.911 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3CCCOC)c1 ZINC000514290912 1066360017 /nfs/dbraw/zinc/36/00/17/1066360017.db2.gz CXIDBBUYCROQKQ-KRWDZBQOSA-N 0 0 607.158 3.884 20 0 KHADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000514290914 1066360239 /nfs/dbraw/zinc/36/02/39/1066360239.db2.gz ADCQHSYAFAAMFS-UHFFFAOYSA-N 0 0 544.457 3.514 20 0 KHADRN CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1[C@H](CC)N(C)C ZINC000514290915 1066360062 /nfs/dbraw/zinc/36/00/62/1066360062.db2.gz BARTWVAFLBMEQB-NRFANRHFSA-N 0 0 549.767 3.774 20 0 KHADRN CCCCn1c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)nnc1[C@@H](CC)N(C)C ZINC000514290916 1066359979 /nfs/dbraw/zinc/35/99/79/1066359979.db2.gz BARTWVAFLBMEQB-OAQYLSRUSA-N 0 0 549.767 3.774 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3CCCOC)c1 ZINC000514290917 1066360098 /nfs/dbraw/zinc/36/00/98/1066360098.db2.gz CXIDBBUYCROQKQ-QGZVFWFLSA-N 0 0 607.158 3.884 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2[C@H](C)COC)c1 ZINC000514290921 1066360255 /nfs/dbraw/zinc/36/02/55/1066360255.db2.gz BEFAKKPZOAWGSZ-GOSISDBHSA-N 0 0 574.729 3.872 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2[C@@H](C)COC)c1 ZINC000514290922 1066360157 /nfs/dbraw/zinc/36/01/57/1066360157.db2.gz BEFAKKPZOAWGSZ-SFHVURJKSA-N 0 0 574.729 3.872 20 0 KHADRN CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000514290923 1066359965 /nfs/dbraw/zinc/35/99/65/1066359965.db2.gz BIVCRBHPPFIMOQ-UHFFFAOYSA-N 0 0 606.170 3.983 20 0 KHADRN COc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1 ZINC000514290943 1066360611 /nfs/dbraw/zinc/36/06/11/1066360611.db2.gz DAGKYFJAYMGPQA-NRFANRHFSA-N 0 0 514.673 3.707 20 0 KHADRN COc1ccc(-n2c(SCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)nnc2-c2ccccc2)cc1 ZINC000514290944 1066360677 /nfs/dbraw/zinc/36/06/77/1066360677.db2.gz DAGKYFJAYMGPQA-OAQYLSRUSA-N 0 0 514.673 3.707 20 0 KHADRN CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)nc2sc(C)c(C)c2c1=O ZINC000514290962 1066328665 /nfs/dbraw/zinc/32/86/65/1066328665.db2.gz BMNNAEWYQQPYOU-UHFFFAOYSA-N 0 0 515.082 3.729 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 ZINC000514290990 1066328834 /nfs/dbraw/zinc/32/88/34/1066328834.db2.gz AUQKWOCVPMXVMV-UHFFFAOYSA-N 0 0 556.685 3.919 20 0 KHADRN 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1066340664 /nfs/dbraw/zinc/34/06/64/1066340664.db2.gz CUBQWZMNQVFUID-FQEVSTJZSA-N 0 0 555.653 3.676 20 0 KHADRN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000514295211 1066340778 /nfs/dbraw/zinc/34/07/78/1066340778.db2.gz AAGXAFYDGSYTKJ-HHHXNRCGSA-N 0 0 614.124 3.580 20 0 KHADRN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000514295212 1066340679 /nfs/dbraw/zinc/34/06/79/1066340679.db2.gz CUBQWZMNQVFUID-HXUWFJFHSA-N 0 0 555.653 3.676 20 0 KHADRN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000514295215 1066341254 /nfs/dbraw/zinc/34/12/54/1066341254.db2.gz AAGXAFYDGSYTKJ-MHZLTWQESA-N 0 0 614.124 3.580 20 0 KHADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc(Br)cc1C ZINC000514295220 1066341151 /nfs/dbraw/zinc/34/11/51/1066341151.db2.gz AGGINLFURAHRMB-UHFFFAOYSA-N 0 0 515.451 3.518 20 0 KHADRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1S(=O)(=O)NC(C)C ZINC000514295283 1066342686 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ZINC000514295546 1066345370 /nfs/dbraw/zinc/34/53/70/1066345370.db2.gz IKYMPZLMPUTOOD-UHFFFAOYSA-N 0 0 513.641 3.510 20 0 KHADRN COc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1OC ZINC000514295556 1066345329 /nfs/dbraw/zinc/34/53/29/1066345329.db2.gz IOODYSOTMOGALI-UHFFFAOYSA-N 0 0 515.415 3.507 20 0 KHADRN CCCCn1c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514295561 1066345219 /nfs/dbraw/zinc/34/52/19/1066345219.db2.gz IPAMCVLPDPPGBG-RUZDIDTESA-N 0 0 582.723 3.925 20 0 KHADRN CCCCN(C(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514295565 1066345102 /nfs/dbraw/zinc/34/51/02/1066345102.db2.gz KTBAZIAFQIKVJH-UHFFFAOYSA-N 0 0 541.674 3.668 20 0 KHADRN CCCCCc1nnc(NC(=O)CCC(=O)N(CCCCC)c2c(N)n(CCCC)c(=O)[nH]c2=O)s1 ZINC000514295569 1066345351 /nfs/dbraw/zinc/34/53/51/1066345351.db2.gz KUUMBYYORGHERA-UHFFFAOYSA-N 0 0 521.688 3.858 20 0 KHADRN CCOC(=O)c1sc2nc(CSCCC(=O)N(CC)CC(=O)Nc3ccc(NC(C)=O)cc3)[nH]c(=O)c2c1C ZINC000514295571 1066345075 /nfs/dbraw/zinc/34/50/75/1066345075.db2.gz FGOYKHUGPMCJGR-UHFFFAOYSA-N 0 0 573.697 3.539 20 0 KHADRN CCCCn1c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514295574 1066345386 /nfs/dbraw/zinc/34/53/86/1066345386.db2.gz IPAMCVLPDPPGBG-VWLOTQADSA-N 0 0 582.723 3.925 20 0 KHADRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000514295575 1066345273 /nfs/dbraw/zinc/34/52/73/1066345273.db2.gz KXSGEMXHBHJJAX-UHFFFAOYSA-N 0 0 549.715 3.608 20 0 KHADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000514295601 1066345891 /nfs/dbraw/zinc/34/58/91/1066345891.db2.gz IUBLEGRSIIPTFT-HDICACEKSA-N 0 0 513.616 3.850 20 0 KHADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000514295604 1066345672 /nfs/dbraw/zinc/34/56/72/1066345672.db2.gz IUBLEGRSIIPTFT-QZTJIDSGSA-N 0 0 513.616 3.850 20 0 KHADRN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000514295607 1066345762 /nfs/dbraw/zinc/34/57/62/1066345762.db2.gz IUBLEGRSIIPTFT-ROUUACIJSA-N 0 0 513.616 3.850 20 0 KHADRN CCCCN(C(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514295617 1066345687 /nfs/dbraw/zinc/34/56/87/1066345687.db2.gz LPESRPCOTFYBPC-UHFFFAOYSA-N 0 0 541.674 3.668 20 0 KHADRN CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(Br)ccc1F ZINC000514295644 1066344597 /nfs/dbraw/zinc/34/45/97/1066344597.db2.gz FRUZVHZOTSYCLF-UHFFFAOYSA-N 0 0 501.374 3.649 20 0 KHADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)[nH]c1=O ZINC000514295647 1066344682 /nfs/dbraw/zinc/34/46/82/1066344682.db2.gz FUFBLYKGRQSASY-UHFFFAOYSA-N 0 0 513.517 3.638 20 0 KHADRN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000514295672 1066344731 /nfs/dbraw/zinc/34/47/31/1066344731.db2.gz JFMKMZAWVRKVCW-UHFFFAOYSA-N 0 0 595.596 3.830 20 0 KHADRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514295680 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1066344779 /nfs/dbraw/zinc/34/47/79/1066344779.db2.gz MOSPIKZYYFQUCX-UHFFFAOYSA-N 0 0 505.637 3.603 20 0 KHADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 ZINC000514295731 1066344796 /nfs/dbraw/zinc/34/47/96/1066344796.db2.gz GKWVVOWWGZCCJS-QGZVFWFLSA-N 0 0 528.631 3.578 20 0 KHADRN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000514295746 1066344813 /nfs/dbraw/zinc/34/48/13/1066344813.db2.gz MSAPZEUOGMKWPT-UHFFFAOYSA-N 0 0 545.605 3.529 20 0 KHADRN CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000514295764 1066344749 /nfs/dbraw/zinc/34/47/49/1066344749.db2.gz GXONDBHZKGBAFS-UHFFFAOYSA-N 0 0 523.615 3.821 20 0 KHADRN CCOc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1OC ZINC000514295778 1066344669 /nfs/dbraw/zinc/34/46/69/1066344669.db2.gz KPHDNRPFJXAWKF-UHFFFAOYSA-N 0 0 523.858 3.718 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)c1 ZINC000514295786 1066344170 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/nfs/dbraw/zinc/34/42/16/1066344216.db2.gz KZPQNEVLEOWRPS-UHFFFAOYSA-N 0 0 577.706 3.716 20 0 KHADRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000514295824 1066344305 /nfs/dbraw/zinc/34/43/05/1066344305.db2.gz FUWGRYNRMRVHLQ-KRWDZBQOSA-N 0 0 587.564 3.702 20 0 KHADRN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000514295825 1066344184 /nfs/dbraw/zinc/34/41/84/1066344184.db2.gz FUWGRYNRMRVHLQ-QGZVFWFLSA-N 0 0 587.564 3.702 20 0 KHADRN CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000514295829 1066344318 /nfs/dbraw/zinc/34/43/18/1066344318.db2.gz LDORBPPWFPIGOP-UHFFFAOYSA-N 0 0 516.538 3.705 20 0 KHADRN COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514295843 1066344358 /nfs/dbraw/zinc/34/43/58/1066344358.db2.gz LINRJEUGUKPYNJ-IBGZPJMESA-N 0 0 588.318 3.513 20 0 KHADRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514295848 1066344274 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MIICKQXWCSGFKG-LJQANCHMSA-N 0 0 529.688 3.804 20 0 KHADRN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000514376449 1066389121 /nfs/dbraw/zinc/38/91/21/1066389121.db2.gz AEXXZKYRBOIIID-UHFFFAOYSA-N 0 0 522.067 3.772 20 0 KHADRN C[C@H](Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1 ZINC000514376450 1066389080 /nfs/dbraw/zinc/38/90/80/1066389080.db2.gz MINOUODUHZWFHB-MSOLQXFVSA-N 0 0 516.645 3.556 20 0 KHADRN C[C@H](Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1 ZINC000514376452 1066389067 /nfs/dbraw/zinc/38/90/67/1066389067.db2.gz MINOUODUHZWFHB-QZTJIDSGSA-N 0 0 516.645 3.556 20 0 KHADRN C[C@@H](Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1 ZINC000514376453 1066389165 /nfs/dbraw/zinc/38/91/65/1066389165.db2.gz MINOUODUHZWFHB-ROUUACIJSA-N 0 0 516.645 3.556 20 0 KHADRN C[C@@H](Sc1nnc(C[C@H](C)c2ccccc2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514376454 1066389199 /nfs/dbraw/zinc/38/91/99/1066389199.db2.gz MINOUODUHZWFHB-ZWKOTPCHSA-N 0 0 516.645 3.556 20 0 KHADRN CCCCCN(C(=O)CSc1nnc(-c2ccccc2F)n1C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514376455 1066389007 /nfs/dbraw/zinc/38/90/07/1066389007.db2.gz MKGHTUMFFFQJEO-UHFFFAOYSA-N 0 0 517.631 3.581 20 0 KHADRN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)N2CCOCC2)cc1 ZINC000514376467 1066388988 /nfs/dbraw/zinc/38/89/88/1066388988.db2.gz AMRPOAJZRFMMTL-HHHXNRCGSA-N 0 0 543.730 3.583 20 0 KHADRN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)N2CCOCC2)cc1 ZINC000514376468 1066389094 /nfs/dbraw/zinc/38/90/94/1066389094.db2.gz AMRPOAJZRFMMTL-MHZLTWQESA-N 0 0 543.730 3.583 20 0 KHADRN CCCCn1c2nc(CCC(=O)N(CCC)CC(=O)Nc3ccccc3OC)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000514376477 1066388930 /nfs/dbraw/zinc/38/89/30/1066388930.db2.gz AZGNRFJNNMOJRZ-UHFFFAOYSA-N 0 0 540.665 3.573 20 0 KHADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N(C)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O ZINC000514376479 1066389052 /nfs/dbraw/zinc/38/90/52/1066389052.db2.gz BCIINSNXOKSRNW-UHFFFAOYSA-N 0 0 510.010 3.552 20 0 KHADRN C[C@@H](SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1nc2ccccc2[nH]1 ZINC000514376498 1066389137 /nfs/dbraw/zinc/38/91/37/1066389137.db2.gz NFOXQAXRHIHKIS-GOSISDBHSA-N 0 0 529.688 3.617 20 0 KHADRN C[C@H](SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1nc2ccccc2[nH]1 ZINC000514376500 1066388974 /nfs/dbraw/zinc/38/89/74/1066388974.db2.gz NFOXQAXRHIHKIS-SFHVURJKSA-N 0 0 529.688 3.617 20 0 KHADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)c(=O)[nH]c1=O ZINC000514376502 1066389183 /nfs/dbraw/zinc/38/91/83/1066389183.db2.gz NGVAAJBNEVHAQM-UHFFFAOYSA-N 0 0 647.843 3.760 20 0 KHADRN COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000514376509 1066389040 /nfs/dbraw/zinc/38/90/40/1066389040.db2.gz BPMHLLWCYCMWLC-RUZDIDTESA-N 0 0 558.697 3.917 20 0 KHADRN COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000514376512 1066389105 /nfs/dbraw/zinc/38/91/05/1066389105.db2.gz BPMHLLWCYCMWLC-VWLOTQADSA-N 0 0 558.697 3.917 20 0 KHADRN CCOC(=O)c1sc2ncn(CC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)c(=O)c2c1C ZINC000514376559 1066388125 /nfs/dbraw/zinc/38/81/25/1066388125.db2.gz NWUXLPSSUULKNB-UHFFFAOYSA-N 0 0 567.089 3.800 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c1 ZINC000514376566 1066388025 /nfs/dbraw/zinc/38/80/25/1066388025.db2.gz CKKOICUOWLAHSM-GOSISDBHSA-N 0 0 523.677 3.541 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)c1 ZINC000514376570 1066388178 /nfs/dbraw/zinc/38/81/78/1066388178.db2.gz CKKOICUOWLAHSM-SFHVURJKSA-N 0 0 523.677 3.541 20 0 KHADRN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376581 1066388001 /nfs/dbraw/zinc/38/80/01/1066388001.db2.gz OJYQHSKPFDQAIE-AUSIDOKSSA-N 0 0 524.039 3.793 20 0 KHADRN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376584 1066388209 /nfs/dbraw/zinc/38/82/09/1066388209.db2.gz OJYQHSKPFDQAIE-CVDCTZTESA-N 0 0 524.039 3.793 20 0 KHADRN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376585 1066388064 /nfs/dbraw/zinc/38/80/64/1066388064.db2.gz OJYQHSKPFDQAIE-WMZHIEFXSA-N 0 0 524.039 3.793 20 0 KHADRN O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376587 1066388140 /nfs/dbraw/zinc/38/81/40/1066388140.db2.gz OJYQHSKPFDQAIE-XXBNENTESA-N 0 0 524.039 3.793 20 0 KHADRN COC(=O)c1ccc(OC[C@H](O)CSc2nnc(-c3ccc(OC)cc3)n2CC(C)C)c(OC)c1 ZINC000514376596 1066388040 /nfs/dbraw/zinc/38/80/40/1066388040.db2.gz ONJFWGBAXPZBNC-IBGZPJMESA-N 0 0 501.605 3.937 20 0 KHADRN COC(=O)c1ccc(OC[C@@H](O)CSc2nnc(-c3ccc(OC)cc3)n2CC(C)C)c(OC)c1 ZINC000514376598 1066388497 /nfs/dbraw/zinc/38/84/97/1066388497.db2.gz ONJFWGBAXPZBNC-LJQANCHMSA-N 0 0 501.605 3.937 20 0 KHADRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 ZINC000514376628 1066388653 /nfs/dbraw/zinc/38/86/53/1066388653.db2.gz OVFHTDALUYHTDW-UHFFFAOYSA-N 0 0 517.633 3.776 20 0 KHADRN CCCCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)C)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514376630 1066388509 /nfs/dbraw/zinc/38/85/09/1066388509.db2.gz OVTOIHIHSVQVJF-UHFFFAOYSA-N 0 0 528.679 3.938 20 0 KHADRN CCCn1c(C)cc(-c2csc(NC(=O)CCC(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)n2)c1C ZINC000514376637 1066388470 /nfs/dbraw/zinc/38/84/70/1066388470.db2.gz DGIILNSXMGSCPQ-UHFFFAOYSA-N 0 0 573.720 3.537 20 0 KHADRN COCCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(Oc2ccc(NC(=O)CSc3n[nH]c(=O)n3CCCOC)cc2)cc1 ZINC000514376641 1066388665 /nfs/dbraw/zinc/38/86/65/1066388665.db2.gz PEKOEUVSQJLJLT-UHFFFAOYSA-N 0 0 658.763 3.608 20 0 KHADRN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3-c2c(C)cccc2C)CC1 ZINC000514376660 1066388714 /nfs/dbraw/zinc/38/87/14/1066388714.db2.gz PJHJATUCIHRYMB-IBGZPJMESA-N 0 0 533.654 3.933 20 0 KHADRN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3-c2c(C)cccc2C)CC1 ZINC000514376661 1066388455 /nfs/dbraw/zinc/38/84/55/1066388455.db2.gz PJHJATUCIHRYMB-LJQANCHMSA-N 0 0 533.654 3.933 20 0 KHADRN CCCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccc(C)c1 ZINC000514376668 1066387641 /nfs/dbraw/zinc/38/76/41/1066387641.db2.gz PQAQHSSYEMMNCG-IBGZPJMESA-N 0 0 529.688 3.804 20 0 KHADRN CCCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccc(C)c1 ZINC000514376669 1066387703 /nfs/dbraw/zinc/38/77/03/1066387703.db2.gz PQAQHSSYEMMNCG-LJQANCHMSA-N 0 0 529.688 3.804 20 0 KHADRN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 ZINC000514376678 1066387672 /nfs/dbraw/zinc/38/76/72/1066387672.db2.gz FAZXVKKOACMHJL-UHFFFAOYSA-N 0 0 586.710 3.524 20 0 KHADRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CSc1nnc(-c2ccco2)n1CC ZINC000514376690 1066387808 /nfs/dbraw/zinc/38/78/08/1066387808.db2.gz FEWAOCGZSLCRJR-UHFFFAOYSA-N 0 0 507.638 3.718 20 0 KHADRN COCCNC(=O)CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000514376699 1066387732 /nfs/dbraw/zinc/38/77/32/1066387732.db2.gz FLRFVQLYJWBGLY-UHFFFAOYSA-N 0 0 519.689 3.747 20 0 KHADRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000514376704 1066387821 /nfs/dbraw/zinc/38/78/21/1066387821.db2.gz FNJYCSPBIJBRTP-UHFFFAOYSA-N 0 0 517.648 3.759 20 0 KHADRN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000514376707 1066387743 /nfs/dbraw/zinc/38/77/43/1066387743.db2.gz PXFPZCWDLOJWAO-UHFFFAOYSA-N 0 0 595.650 3.690 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2C)c1 ZINC000514376709 1066387795 /nfs/dbraw/zinc/38/77/95/1066387795.db2.gz FROWASJWUUXGAG-IBGZPJMESA-N 0 0 537.704 3.850 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2C)c1 ZINC000514376713 1066387687 /nfs/dbraw/zinc/38/76/87/1066387687.db2.gz FROWASJWUUXGAG-LJQANCHMSA-N 0 0 537.704 3.850 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3csc(N(CC)C(C)=O)n3)n2C)c1 ZINC000514376715 1066387625 /nfs/dbraw/zinc/38/76/25/1066387625.db2.gz PZLRGNLCNIDYLP-UHFFFAOYSA-N 0 0 508.695 3.634 20 0 KHADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376717 1066387837 /nfs/dbraw/zinc/38/78/37/1066387837.db2.gz QARROWQAQBPQKR-DHLKQENFSA-N 0 0 517.648 3.838 20 0 KHADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376719 1066388195 /nfs/dbraw/zinc/38/81/95/1066388195.db2.gz QARROWQAQBPQKR-RCZVLFRGSA-N 0 0 517.648 3.838 20 0 KHADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376720 1066388081 /nfs/dbraw/zinc/38/80/81/1066388081.db2.gz QARROWQAQBPQKR-RDGATRHJSA-N 0 0 517.648 3.838 20 0 KHADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000514376721 1066388222 /nfs/dbraw/zinc/38/82/22/1066388222.db2.gz QARROWQAQBPQKR-WIOPSUGQSA-N 0 0 517.648 3.838 20 0 KHADRN COc1ccc(Br)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)c1 ZINC000514376722 1066388158 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/nfs/dbraw/zinc/38/73/27/1066387327.db2.gz QQERVDSQHPIQJS-OAQYLSRUSA-N 0 0 587.768 3.710 20 0 KHADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)Nc3ccc(Br)cc3C)CC2)c(C)c1 ZINC000514376757 1066387453 /nfs/dbraw/zinc/38/74/53/1066387453.db2.gz GGAXZGHRMIHDBY-UHFFFAOYSA-N 0 0 536.492 3.872 20 0 KHADRN CCn1c(CCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514376772 1066387339 /nfs/dbraw/zinc/38/73/39/1066387339.db2.gz GNHWEMJJJWUNHC-UHFFFAOYSA-N 0 0 577.711 3.633 20 0 KHADRN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000514376787 1066387759 /nfs/dbraw/zinc/38/77/59/1066387759.db2.gz GUQQYQFZNADBSZ-UHFFFAOYSA-N 0 0 501.008 3.982 20 0 KHADRN CCCCN(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514376789 1066387772 /nfs/dbraw/zinc/38/77/72/1066387772.db2.gz RFERDYARYSMHQK-UHFFFAOYSA-N 0 0 533.964 3.581 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)c1 ZINC000514376805 1066387718 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ZINC000514377421 1066392749 /nfs/dbraw/zinc/39/27/49/1066392749.db2.gz UWMUVABDBKATPS-NRFANRHFSA-N 0 0 615.388 3.630 20 0 KHADRN O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514377422 1066392639 /nfs/dbraw/zinc/39/26/39/1066392639.db2.gz UWMUVABDBKATPS-OAQYLSRUSA-N 0 0 615.388 3.630 20 0 KHADRN CCCCn1c(CCC(=O)N(CCC)CC(=O)Nc2ccccc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514377439 1066392890 /nfs/dbraw/zinc/39/28/90/1066392890.db2.gz VQCASEVPGFEMLJ-UHFFFAOYSA-N 0 0 557.717 3.905 20 0 KHADRN CCCn1c(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514377440 1066392844 /nfs/dbraw/zinc/39/28/44/1066392844.db2.gz VRZDFJKRXJJJTL-UHFFFAOYSA-N 0 0 552.701 3.846 20 0 KHADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c1C ZINC000514377449 1066392962 /nfs/dbraw/zinc/39/29/62/1066392962.db2.gz VWUZFYOVIGICRG-JOCHJYFZSA-N 0 0 502.615 4.000 20 0 KHADRN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c1C ZINC000514377450 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CC[C@@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C ZINC000514387637 1066427877 /nfs/dbraw/zinc/42/78/77/1066427877.db2.gz GXQVCSPFOTWXPU-PXNSSMCTSA-N 0 0 539.544 3.813 20 0 KHADRN CC[C@@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C ZINC000514387638 1066428106 /nfs/dbraw/zinc/42/81/06/1066428106.db2.gz GXQVCSPFOTWXPU-XLIONFOSSA-N 0 0 539.544 3.813 20 0 KHADRN CC[C@H](c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2Br)n1CCN1CCOCC1)N(C)C ZINC000514387639 1066427983 /nfs/dbraw/zinc/42/79/83/1066427983.db2.gz GXQVCSPFOTWXPU-YLJYHZDGSA-N 0 0 539.544 3.813 20 0 KHADRN CCCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl ZINC000514387661 1066427844 /nfs/dbraw/zinc/42/78/44/1066427844.db2.gz HTHMRSOBBCZOQV-KRWDZBQOSA-N 0 0 550.106 3.615 20 0 KHADRN CCCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccccc1Cl ZINC000514387662 1066427945 /nfs/dbraw/zinc/42/79/45/1066427945.db2.gz HTHMRSOBBCZOQV-QGZVFWFLSA-N 0 0 550.106 3.615 20 0 KHADRN 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CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)c3ccc(O)cc3)n2[C@H](C)COC)c1 ZINC000514387992 1066425933 /nfs/dbraw/zinc/42/59/33/1066425933.db2.gz LCSYTUWIIZUWMN-QGZVFWFLSA-N 0 0 518.661 3.864 20 0 KHADRN CC(C)CCn1c(S[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O ZINC000514388022 1066425941 /nfs/dbraw/zinc/42/59/41/1066425941.db2.gz LYTIHERVONYICR-INIZCTEOSA-N 0 0 537.107 3.583 20 0 KHADRN CC(C)CCn1c(S[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(Cl)ccc2c1=O ZINC000514388023 1066425909 /nfs/dbraw/zinc/42/59/09/1066425909.db2.gz LYTIHERVONYICR-MRXNPFEDSA-N 0 0 537.107 3.583 20 0 KHADRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cc(Br)ccc1N1CCOCC1 ZINC000514388049 1066425875 /nfs/dbraw/zinc/42/58/75/1066425875.db2.gz OFIBJAJBDXHCPH-UHFFFAOYSA-N 0 0 522.465 3.642 20 0 KHADRN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(Br)cc1F ZINC000514388057 1066425349 /nfs/dbraw/zinc/42/53/49/1066425349.db2.gz UIBDYZCFUIGMTR-UHFFFAOYSA-N 0 0 526.428 3.852 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3c(c1)NC(=O)CS3)n2CC ZINC000514388067 1066425374 /nfs/dbraw/zinc/42/53/74/1066425374.db2.gz UJEBAOGPWZRQJW-UHFFFAOYSA-N 0 0 515.661 3.702 20 0 KHADRN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000514388089 1066425376 /nfs/dbraw/zinc/42/53/76/1066425376.db2.gz UOOOJKSUYVHSBH-DEOSSOPVSA-N 0 0 541.121 3.862 20 0 KHADRN O=C(CSc1nnc(N2CCOCC2)n1Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000514388090 1066425384 /nfs/dbraw/zinc/42/53/84/1066425384.db2.gz UOOOJKSUYVHSBH-XMMPIXPASA-N 0 0 541.121 3.862 20 0 KHADRN COc1ccc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000514388093 1066425368 /nfs/dbraw/zinc/42/53/68/1066425368.db2.gz ORZMAYNWPOUGGM-KDURUIRLSA-N 0 0 542.658 3.876 20 0 KHADRN COc1ccc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000514388094 1066425370 /nfs/dbraw/zinc/42/53/70/1066425370.db2.gz ORZMAYNWPOUGGM-OALUTQOASA-N 0 0 542.658 3.876 20 0 KHADRN COc1ccc(C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000514388096 1066425352 /nfs/dbraw/zinc/42/53/52/1066425352.db2.gz ORZMAYNWPOUGGM-RTBURBONSA-N 0 0 542.658 3.876 20 0 KHADRN CCOc1ccc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1S(=O)(=O)N1CCCC1 ZINC000514388118 1066425329 /nfs/dbraw/zinc/42/53/29/1066425329.db2.gz OZKAQYUCDLMYMX-UHFFFAOYSA-N 0 0 540.568 3.514 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c32)cc1 ZINC000514388121 1066425923 /nfs/dbraw/zinc/42/59/23/1066425923.db2.gz PFYWAPAPNWVAJD-UHFFFAOYSA-N 0 0 530.672 3.668 20 0 KHADRN COC(=O)C1CCN(C(=O)COc2c(Br)cc(Br)cc2Br)CC1 ZINC000514388124 1066424187 /nfs/dbraw/zinc/42/41/87/1066424187.db2.gz PHYAUEGEPHSIDG-UHFFFAOYSA-N 0 0 514.008 3.765 20 0 KHADRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 ZINC000514388137 1066424229 /nfs/dbraw/zinc/42/42/29/1066424229.db2.gz VOBYIWVVQSBXMV-UHFFFAOYSA-N 0 0 578.735 3.658 20 0 KHADRN Cn1c(SC[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000514388141 1066424357 /nfs/dbraw/zinc/42/43/57/1066424357.db2.gz VPLAHDHFIBLRLX-GHTZIAJQSA-N 0 0 501.674 3.575 20 0 KHADRN Cn1c(SC[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000514388144 1066424262 /nfs/dbraw/zinc/42/42/62/1066424262.db2.gz VPLAHDHFIBLRLX-NQIIRXRSSA-N 0 0 501.674 3.575 20 0 KHADRN Cn1c(SC[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@H]1CCS(=O)(=O)C1 ZINC000514388146 1066424495 /nfs/dbraw/zinc/42/44/95/1066424495.db2.gz VPLAHDHFIBLRLX-RXVVDRJESA-N 0 0 501.674 3.575 20 0 KHADRN Cn1c(SC[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 ZINC000514388148 1066424555 /nfs/dbraw/zinc/42/45/55/1066424555.db2.gz VPLAHDHFIBLRLX-WIYYLYMNSA-N 0 0 501.674 3.575 20 0 KHADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@@H]2CCSc3ccc(F)cc32)c(=O)[nH]c1=O ZINC000514388151 1066424702 /nfs/dbraw/zinc/42/47/02/1066424702.db2.gz PMKZOBNRIADJJZ-GOSISDBHSA-N 0 0 519.643 3.593 20 0 KHADRN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N[C@H]2CCSc3ccc(F)cc32)c(=O)[nH]c1=O ZINC000514388152 1066424377 /nfs/dbraw/zinc/42/43/77/1066424377.db2.gz PMKZOBNRIADJJZ-SFHVURJKSA-N 0 0 519.643 3.593 20 0 KHADRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)CC2 ZINC000514388155 1066425394 /nfs/dbraw/zinc/42/53/94/1066425394.db2.gz VQRJYOWRNIPHQT-FNZWTVRRSA-N 0 0 518.701 3.671 20 0 KHADRN O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000514388157 1066425324 /nfs/dbraw/zinc/42/53/24/1066425324.db2.gz PPVXKOOZFHFBIT-NRFANRHFSA-N 0 0 538.954 3.623 20 0 KHADRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000514388158 1066425383 /nfs/dbraw/zinc/42/53/83/1066425383.db2.gz VQRJYOWRNIPHQT-FQRUVTKNSA-N 0 0 518.701 3.671 20 0 KHADRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)CC2 ZINC000514388159 1066425362 /nfs/dbraw/zinc/42/53/62/1066425362.db2.gz VQRJYOWRNIPHQT-IBVKSMDESA-N 0 0 518.701 3.671 20 0 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Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nc(C3CC3)nn2-c2ccccc2)CC1 ZINC000514391820 1066465063 /nfs/dbraw/zinc/46/50/63/1066465063.db2.gz OZOFDHWXWCMWIV-UHFFFAOYSA-N 0 0 504.660 3.637 20 0 KHADRN O=C(CSCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cc1Cl ZINC000514391863 1066446220 /nfs/dbraw/zinc/44/62/20/1066446220.db2.gz PKAPMLFRABBFNZ-UHFFFAOYSA-N 0 0 505.445 3.765 20 0 KHADRN CCOc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1S(=O)(=O)N1CCCCC1 ZINC000514391869 1066446231 /nfs/dbraw/zinc/44/62/31/1066446231.db2.gz RWINCXWRGCCSRF-UHFFFAOYSA-N 0 0 521.690 3.848 20 0 KHADRN CCC[C@@H](CNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl ZINC000514391876 1066446133 /nfs/dbraw/zinc/44/61/33/1066446133.db2.gz RYACYQRCZYMZPP-KBPBESRZSA-N 0 0 505.493 3.816 20 0 KHADRN CCC[C@H](CNC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl ZINC000514391877 1066446236 /nfs/dbraw/zinc/44/62/36/1066446236.db2.gz RYACYQRCZYMZPP-KGLIPLIRSA-N 0 0 505.493 3.816 20 0 KHADRN CCC[C@@H](CNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl ZINC000514391878 1066446193 /nfs/dbraw/zinc/44/61/93/1066446193.db2.gz RYACYQRCZYMZPP-UONOGXRCSA-N 0 0 505.493 3.816 20 0 KHADRN CCC[C@H](CNC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(Cl)cc1Cl ZINC000514391879 1066446242 /nfs/dbraw/zinc/44/62/42/1066446242.db2.gz RYACYQRCZYMZPP-ZIAGYGMSSA-N 0 0 505.493 3.816 20 0 KHADRN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCN1CCOCC1 ZINC000514391881 1066446718 /nfs/dbraw/zinc/44/67/18/1066446718.db2.gz SAOHZFBKPWUTCG-UHFFFAOYSA-N 0 0 543.665 3.574 20 0 KHADRN Cc1ccc(-c2csc3nc(SCC(=O)N4CCCC[C@@H]4C(N)=O)n(C[C@@H]4CCCO4)c(=O)c23)cc1 ZINC000514391894 1066446609 /nfs/dbraw/zinc/44/66/09/1066446609.db2.gz SETCWXRSEDMPFC-AZUAARDMSA-N 0 0 526.684 3.571 20 0 KHADRN Cc1cc(=O)n2nc(CSc3nnc(CN4CCCCC4)n3-c3ccc(OC(F)F)cc3)sc2n1 ZINC000514391895 1066446691 /nfs/dbraw/zinc/44/66/91/1066446691.db2.gz PVTXNAUKVCLCSY-UHFFFAOYSA-N 0 0 519.603 3.920 20 0 KHADRN 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CCCn1c(CS[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514395044 1066474683 /nfs/dbraw/zinc/47/46/83/1066474683.db2.gz BBXYPKZGEIHCEJ-DENIHFKCSA-N 0 0 558.726 3.729 20 0 KHADRN CCCn1c(CS[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514395045 1066475567 /nfs/dbraw/zinc/47/55/67/1066475567.db2.gz BBXYPKZGEIHCEJ-KNQAVFIVSA-N 0 0 558.726 3.729 20 0 KHADRN CCCn1c(CS[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514395046 1066475514 /nfs/dbraw/zinc/47/55/14/1066475514.db2.gz BBXYPKZGEIHCEJ-SIKLNZKXSA-N 0 0 558.726 3.729 20 0 KHADRN CCCn1c(CS[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514395047 1066475676 /nfs/dbraw/zinc/47/56/76/1066475676.db2.gz BBXYPKZGEIHCEJ-UGKGYDQZSA-N 0 0 558.726 3.729 20 0 KHADRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N3CCCN(S(C)(=O)=O)CC3)cc12 ZINC000514395049 1066475699 /nfs/dbraw/zinc/47/56/99/1066475699.db2.gz BCUZJGHMECTASC-UHFFFAOYSA-N 0 0 501.461 3.869 20 0 KHADRN O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000514395050 1066475722 /nfs/dbraw/zinc/47/57/22/1066475722.db2.gz BGUNDIPMNVQKHA-UHFFFAOYSA-N 0 0 520.655 3.783 20 0 KHADRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000514395051 1066475623 /nfs/dbraw/zinc/47/56/23/1066475623.db2.gz BIKNCGQJHGLYGY-INIZCTEOSA-N 0 0 565.121 3.899 20 0 KHADRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000514395052 1066475532 /nfs/dbraw/zinc/47/55/32/1066475532.db2.gz BIKNCGQJHGLYGY-MRXNPFEDSA-N 0 0 565.121 3.899 20 0 KHADRN COC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)CC1 ZINC000514395059 1066474252 /nfs/dbraw/zinc/47/42/52/1066474252.db2.gz BMVCXDBCJYZUJH-KRWDZBQOSA-N 0 0 508.600 3.614 20 0 KHADRN COC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)CC1 ZINC000514395060 1066474128 /nfs/dbraw/zinc/47/41/28/1066474128.db2.gz BMVCXDBCJYZUJH-QGZVFWFLSA-N 0 0 508.600 3.614 20 0 KHADRN CC(=O)N1CCN(C(=O)[C@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514395073 1066474188 /nfs/dbraw/zinc/47/41/88/1066474188.db2.gz BTVFNFFDLDETRW-GHTZIAJQSA-N 0 0 540.711 3.784 20 0 KHADRN CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514395074 1066474041 /nfs/dbraw/zinc/47/40/41/1066474041.db2.gz BTVFNFFDLDETRW-NQIIRXRSSA-N 0 0 540.711 3.784 20 0 KHADRN CC(=O)N1CCN(C(=O)[C@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@@H]2CCCO2)CC1 ZINC000514395075 1066474268 /nfs/dbraw/zinc/47/42/68/1066474268.db2.gz BTVFNFFDLDETRW-RXVVDRJESA-N 0 0 540.711 3.784 20 0 KHADRN CC(=O)N1CCN(C(=O)[C@@H](C)Sc2nc3scc(-c4ccc(C)cc4)c3c(=O)n2C[C@H]2CCCO2)CC1 ZINC000514395076 1066474313 /nfs/dbraw/zinc/47/43/13/1066474313.db2.gz BTVFNFFDLDETRW-WIYYLYMNSA-N 0 0 540.711 3.784 20 0 KHADRN CCCN(C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514395077 1066474206 /nfs/dbraw/zinc/47/42/06/1066474206.db2.gz BUHVTUJLVHFCNF-AZUAARDMSA-N 0 0 502.662 3.801 20 0 KHADRN CCCN(C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514395078 1066474241 /nfs/dbraw/zinc/47/42/41/1066474241.db2.gz BUHVTUJLVHFCNF-ICSRJNTNSA-N 0 0 502.662 3.801 20 0 KHADRN CCCN(C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514395079 1066474176 /nfs/dbraw/zinc/47/41/76/1066474176.db2.gz BUHVTUJLVHFCNF-QUCCMNQESA-N 0 0 502.662 3.801 20 0 KHADRN CCCN(C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514395080 1066474231 /nfs/dbraw/zinc/47/42/31/1066474231.db2.gz BUHVTUJLVHFCNF-UYAOXDASSA-N 0 0 502.662 3.801 20 0 KHADRN CCC(CC)NC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 ZINC000514395097 1066474160 /nfs/dbraw/zinc/47/41/60/1066474160.db2.gz CFCORHNUTRAVDR-GOSISDBHSA-N 0 0 535.736 3.867 20 0 KHADRN CCC(CC)NC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 ZINC000514395098 1066474319 /nfs/dbraw/zinc/47/43/19/1066474319.db2.gz CFCORHNUTRAVDR-SFHVURJKSA-N 0 0 535.736 3.867 20 0 KHADRN CCCNC(=O)CSc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)OC)s1 ZINC000514395103 1066474149 /nfs/dbraw/zinc/47/41/49/1066474149.db2.gz CHDLTSPGPAKLPD-UHFFFAOYSA-N 0 0 509.462 3.981 20 0 KHADRN COCCCNC(=O)[C@H](C)Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F ZINC000514395109 1066474880 /nfs/dbraw/zinc/47/48/80/1066474880.db2.gz CMXXMJFOXDVBIV-HNNXBMFYSA-N 0 0 504.584 3.733 20 0 KHADRN COCCCNC(=O)[C@@H](C)Sc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1F ZINC000514395110 1066474912 /nfs/dbraw/zinc/47/49/12/1066474912.db2.gz CMXXMJFOXDVBIV-OAHLLOKOSA-N 0 0 504.584 3.733 20 0 KHADRN CCOc1cc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC ZINC000514395119 1066474827 /nfs/dbraw/zinc/47/48/27/1066474827.db2.gz CRWSGBUTIARYSX-CVEARBPZSA-N 0 0 564.686 3.938 20 0 KHADRN CCOc1cc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC ZINC000514395120 1066474717 /nfs/dbraw/zinc/47/47/17/1066474717.db2.gz CRWSGBUTIARYSX-HOTGVXAUSA-N 0 0 564.686 3.938 20 0 KHADRN CCOc1cc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC ZINC000514395121 1066474813 /nfs/dbraw/zinc/47/48/13/1066474813.db2.gz CRWSGBUTIARYSX-HZPDHXFCSA-N 0 0 564.686 3.938 20 0 KHADRN CCOc1cc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)o2)cc(OCC)c1OCC ZINC000514395122 1066474891 /nfs/dbraw/zinc/47/48/91/1066474891.db2.gz CRWSGBUTIARYSX-JKSUJKDBSA-N 0 0 564.686 3.938 20 0 KHADRN O=C(COc1ccc(S(=O)(=O)c2ccc(OCC(=O)NC(C3CC3)C3CC3)cc2)cc1)NC(C1CC1)C1CC1 ZINC000514395140 1066473853 /nfs/dbraw/zinc/47/38/53/1066473853.db2.gz DDAUWWJHRASCGX-UHFFFAOYSA-N 0 0 552.693 3.887 20 0 KHADRN O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000514395144 1066474278 /nfs/dbraw/zinc/47/42/78/1066474278.db2.gz DEPLXUVURRJVTN-UHFFFAOYSA-N 0 0 582.796 3.895 20 0 KHADRN COc1cccc(-n2c(S[C@@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCCC4)c1 ZINC000514395159 1066474261 /nfs/dbraw/zinc/47/42/61/1066474261.db2.gz DNLSIAUUCGHTKB-INIZCTEOSA-N 0 0 540.711 3.929 20 0 KHADRN COc1cccc(-n2c(S[C@H](C)C(=O)N3CCC(C(N)=O)CC3)nc3sc4c(c3c2=O)CCCCC4)c1 ZINC000514395160 1066474109 /nfs/dbraw/zinc/47/41/09/1066474109.db2.gz DNLSIAUUCGHTKB-MRXNPFEDSA-N 0 0 540.711 3.929 20 0 KHADRN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000514395170 1066474219 /nfs/dbraw/zinc/47/42/19/1066474219.db2.gz DTGXNYPBPSFXLZ-HNNXBMFYSA-N 0 0 550.475 3.662 20 0 KHADRN COCCn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000514395171 1066474305 /nfs/dbraw/zinc/47/43/05/1066474305.db2.gz DTGXNYPBPSFXLZ-OAHLLOKOSA-N 0 0 550.475 3.662 20 0 KHADRN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1SCC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000514395207 1066473796 /nfs/dbraw/zinc/47/37/96/1066473796.db2.gz FNRVNEDDGCJXOO-UHFFFAOYSA-N 0 0 557.742 3.731 20 0 KHADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000514395211 1066473838 /nfs/dbraw/zinc/47/38/38/1066473838.db2.gz FQCXHRRSLDWQMQ-INIZCTEOSA-N 0 0 583.132 3.855 20 0 KHADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000514395212 1066473894 /nfs/dbraw/zinc/47/38/94/1066473894.db2.gz FQCXHRRSLDWQMQ-MRXNPFEDSA-N 0 0 583.132 3.855 20 0 KHADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000514395233 1066473860 /nfs/dbraw/zinc/47/38/60/1066473860.db2.gz GCFAKLNJCCXFFI-IBGZPJMESA-N 0 0 518.661 3.567 20 0 KHADRN CCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000514395234 1066473843 /nfs/dbraw/zinc/47/38/43/1066473843.db2.gz GCFAKLNJCCXFFI-LJQANCHMSA-N 0 0 518.661 3.567 20 0 KHADRN CC(C)c1nnc(SCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)n1Cc1ccco1 ZINC000514395235 1066473802 /nfs/dbraw/zinc/47/38/02/1066473802.db2.gz GCLRQJSNMDLMPU-UHFFFAOYSA-N 0 0 517.677 3.626 20 0 KHADRN CC(C)CCNC(=O)[C@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 ZINC000514395237 1066473810 /nfs/dbraw/zinc/47/38/10/1066473810.db2.gz GDUUUTGVGFUGKQ-FQEVSTJZSA-N 0 0 575.732 3.796 20 0 KHADRN CC(C)CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1Cc1ccc(F)cc1 ZINC000514395238 1066473765 /nfs/dbraw/zinc/47/37/65/1066473765.db2.gz GDUUUTGVGFUGKQ-HXUWFJFHSA-N 0 0 575.732 3.796 20 0 KHADRN COc1ccc(CN2CCN(C(=O)c3cc(C)nc4c3cnn4Cc3cccs3)CC2)c(OC)c1OC ZINC000514395270 1066473786 /nfs/dbraw/zinc/47/37/86/1066473786.db2.gz GRMQMNBNOLBGTQ-UHFFFAOYSA-N 0 0 521.643 3.833 20 0 KHADRN CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000514395275 1066473823 /nfs/dbraw/zinc/47/38/23/1066473823.db2.gz GVTBEMOOOURFRD-AEFFLSMTSA-N 0 0 541.692 3.839 20 0 KHADRN CCCN(C(=O)[C@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000514395276 1066473878 /nfs/dbraw/zinc/47/38/78/1066473878.db2.gz GVTBEMOOOURFRD-FUHWJXTLSA-N 0 0 541.692 3.839 20 0 KHADRN CCCN(C(=O)[C@@H](C)Sc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000514395277 1066473774 /nfs/dbraw/zinc/47/37/74/1066473774.db2.gz GVTBEMOOOURFRD-SJLPKXTDSA-N 0 0 541.692 3.839 20 0 KHADRN 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CCOCCCn1c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccccc3OC)n2c2ccccc2c1=O ZINC000514395980 1066477529 /nfs/dbraw/zinc/47/75/29/1066477529.db2.gz YKRRNKITUCZPBK-ZWKOTPCHSA-N 0 0 509.632 3.837 20 0 KHADRN CCn1c(S[C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514395999 1066477504 /nfs/dbraw/zinc/47/75/04/1066477504.db2.gz YZGAEJOOLILKND-GOSISDBHSA-N 0 0 557.698 3.964 20 0 KHADRN CCn1c(S[C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514396000 1066477544 /nfs/dbraw/zinc/47/75/44/1066477544.db2.gz YZGAEJOOLILKND-SFHVURJKSA-N 0 0 557.698 3.964 20 0 KHADRN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)n2C[C@@H]2CCCO2)cc1 ZINC000514396002 1066477579 /nfs/dbraw/zinc/47/75/79/1066477579.db2.gz ZBOMSSDHLMZUBL-APWZRJJASA-N 0 0 516.645 3.656 20 0 KHADRN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)n2C[C@@H]2CCCO2)cc1 ZINC000514396003 1066478228 /nfs/dbraw/zinc/47/82/28/1066478228.db2.gz ZBOMSSDHLMZUBL-LPHOPBHVSA-N 0 0 516.645 3.656 20 0 KHADRN 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C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000514396028 1066478212 /nfs/dbraw/zinc/47/82/12/1066478212.db2.gz ZQHREHTUYXSQRB-QGZVFWFLSA-N 0 0 517.652 3.915 20 0 KHADRN NC(=O)CCn1c(SCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)nnc1C1CC1 ZINC000514396032 1066478166 /nfs/dbraw/zinc/47/81/66/1066478166.db2.gz ZTMOFQYHEIOHHJ-UHFFFAOYSA-N 0 0 509.657 3.933 20 0 KHADRN COc1ccc([C@H]2CCCN2C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1OC ZINC000514396037 1066478284 /nfs/dbraw/zinc/47/82/84/1066478284.db2.gz ZVMMSYUQFWTWBQ-GOSISDBHSA-N 0 0 505.618 3.551 20 0 KHADRN COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)cc1OC ZINC000514396038 1066478170 /nfs/dbraw/zinc/47/81/70/1066478170.db2.gz ZVMMSYUQFWTWBQ-SFHVURJKSA-N 0 0 505.618 3.551 20 0 KHADRN Cc1ccc(-n2c(SCC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)nnc2N2CCCC2)cc1 ZINC000514400794 1066451686 /nfs/dbraw/zinc/45/16/86/1066451686.db2.gz ALIYPMAODLJVHJ-FQEVSTJZSA-N 0 0 531.729 3.545 20 0 KHADRN 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COCCCn1c2nnc(SCC(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)n2c2ccccc2c1=O ZINC000514402594 1066459353 /nfs/dbraw/zinc/45/93/53/1066459353.db2.gz CWWFPLDXVMHYGY-HSZRJFAPSA-N 0 0 509.632 3.695 20 0 KHADRN COCCCn1c2nnc(SCC(=O)N[C@H](c3ccc(OC)cc3)C(C)C)n2c2ccccc2c1=O ZINC000514402596 1066459205 /nfs/dbraw/zinc/45/92/05/1066459205.db2.gz CWWFPLDXVMHYGY-QHCPKHFHSA-N 0 0 509.632 3.695 20 0 KHADRN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CCCc2nc(C(C)(C)C)no2)c(=O)[nH]c1=O ZINC000514402598 1066459278 /nfs/dbraw/zinc/45/92/78/1066459278.db2.gz POILPBDADXITGP-UHFFFAOYSA-N 0 0 512.611 3.576 20 0 KHADRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000514402605 1066459233 /nfs/dbraw/zinc/45/92/33/1066459233.db2.gz PPXLQGZGNVOJEO-CYBMUJFWSA-N 0 0 526.986 3.650 20 0 KHADRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000514402607 1066460133 /nfs/dbraw/zinc/46/01/33/1066460133.db2.gz PPXLQGZGNVOJEO-ZDUSSCGKSA-N 0 0 526.986 3.650 20 0 KHADRN O=C(Nc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1)NC1CC1 ZINC000514402614 1066460110 /nfs/dbraw/zinc/46/01/10/1066460110.db2.gz PSBAAKDOQASCID-CYBMUJFWSA-N 0 0 527.466 3.834 20 0 KHADRN O=C(Nc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)cc1)NC1CC1 ZINC000514402616 1066460094 /nfs/dbraw/zinc/46/00/94/1066460094.db2.gz PSBAAKDOQASCID-ZDUSSCGKSA-N 0 0 527.466 3.834 20 0 KHADRN O=C(Nc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000514402644 1066460048 /nfs/dbraw/zinc/46/00/48/1066460048.db2.gz QKIRZIXLWROLDB-INIZCTEOSA-N 0 0 506.386 3.662 20 0 KHADRN O=C(Nc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC000514402645 1066460143 /nfs/dbraw/zinc/46/01/43/1066460143.db2.gz QKIRZIXLWROLDB-MRXNPFEDSA-N 0 0 506.386 3.662 20 0 KHADRN CCCCN(C(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514402701 1066459197 /nfs/dbraw/zinc/45/91/97/1066459197.db2.gz KZLIWUHTHRTDOE-UHFFFAOYSA-N 0 0 510.591 3.984 20 0 KHADRN O=C(Cc1c(Cl)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1 ZINC000514402709 1066459360 /nfs/dbraw/zinc/45/93/60/1066459360.db2.gz RKYDDTIQVBRFGJ-INIZCTEOSA-N 0 0 528.458 3.786 20 0 KHADRN O=C(Cc1c(Cl)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1 ZINC000514402711 1066459257 /nfs/dbraw/zinc/45/92/57/1066459257.db2.gz RKYDDTIQVBRFGJ-MRXNPFEDSA-N 0 0 528.458 3.786 20 0 KHADRN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1S[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000514402713 1066459290 /nfs/dbraw/zinc/45/92/90/1066459290.db2.gz RLCKVMCXVGEXIP-AOMKIAJQSA-N 0 0 550.102 3.776 20 0 KHADRN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1S[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000514402716 1066459262 /nfs/dbraw/zinc/45/92/62/1066459262.db2.gz RLCKVMCXVGEXIP-KSFYIVLOSA-N 0 0 550.102 3.776 20 0 KHADRN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1S[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000514402718 1066459212 /nfs/dbraw/zinc/45/92/12/1066459212.db2.gz RLCKVMCXVGEXIP-OPAMFIHVSA-N 0 0 550.102 3.776 20 0 KHADRN COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1S[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000514402721 1066459302 /nfs/dbraw/zinc/45/93/02/1066459302.db2.gz RLCKVMCXVGEXIP-ZHRRBRCNSA-N 0 0 550.102 3.776 20 0 KHADRN CCS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000514402745 1066458773 /nfs/dbraw/zinc/45/87/73/1066458773.db2.gz MAAPDMSXZQQUFG-UHFFFAOYSA-N 0 0 519.689 3.897 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)Nc3ccccc3)n2[C@H](C)COC)c1 ZINC000514402748 1066458809 /nfs/dbraw/zinc/45/88/09/1066458809.db2.gz MENKTKCFXDKWAZ-GOSISDBHSA-N 0 0 560.702 3.623 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NC(=O)Nc3ccccc3)n2[C@@H](C)COC)c1 ZINC000514402749 1066458670 /nfs/dbraw/zinc/45/86/70/1066458670.db2.gz MENKTKCFXDKWAZ-SFHVURJKSA-N 0 0 560.702 3.623 20 0 KHADRN COc1ccc(CN2CCN(C(=O)CNC(=O)c3sc4ccccc4c3Cl)CC2)c(OC)c1OC ZINC000514402765 1066459225 /nfs/dbraw/zinc/45/92/25/1066459225.db2.gz MVXLPCQFXNKHQF-UHFFFAOYSA-N 0 0 518.035 3.655 20 0 KHADRN O=C(CSc1nnc(N2CCOCC2)n1C1CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000514402766 1066459242 /nfs/dbraw/zinc/45/92/42/1066459242.db2.gz MWGFGZFFLMDFBK-UHFFFAOYSA-N 0 0 513.645 3.608 20 0 KHADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000514402772 1066459265 /nfs/dbraw/zinc/45/92/65/1066459265.db2.gz NCKNLIUOENAUSZ-IBGZPJMESA-N 0 0 586.574 3.636 20 0 KHADRN CCOCCCn1c(=O)c2cc(Br)ccc2nc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000514402773 1066459312 /nfs/dbraw/zinc/45/93/12/1066459312.db2.gz NCKNLIUOENAUSZ-LJQANCHMSA-N 0 0 586.574 3.636 20 0 KHADRN O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)CC1 ZINC000514402798 1066458717 /nfs/dbraw/zinc/45/87/17/1066458717.db2.gz DTFKVFUQTJKMEH-UHFFFAOYSA-N 0 0 590.874 3.766 20 0 KHADRN O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)NCC1(c2ccccc2)CC1 ZINC000514402809 1066458693 /nfs/dbraw/zinc/45/86/93/1066458693.db2.gz FFUMMYAOUPLFLI-UHFFFAOYSA-N 0 0 512.657 3.851 20 0 KHADRN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000514402811 1066458799 /nfs/dbraw/zinc/45/87/99/1066458799.db2.gz FGAMPTIFWCABAF-UHFFFAOYSA-N 0 0 552.112 3.767 20 0 KHADRN CCOc1ccc(-n2c(SCC(=O)N(CC)CC(=O)NC(C)C)nnc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000514402816 1066458781 /nfs/dbraw/zinc/45/87/81/1066458781.db2.gz FKHFBUSMPKGTEE-UHFFFAOYSA-N 0 0 571.700 3.824 20 0 KHADRN O=C(CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2O)CC1)N1CCCCC1 ZINC000514402817 1066458725 /nfs/dbraw/zinc/45/87/25/1066458725.db2.gz RLRWBKOEQZSJTI-UHFFFAOYSA-N 0 0 519.429 3.722 20 0 KHADRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000514402823 1066458814 /nfs/dbraw/zinc/45/88/14/1066458814.db2.gz FQMDBXQQXHYYTK-UHFFFAOYSA-N 0 0 537.608 3.607 20 0 KHADRN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000514402830 1066458794 /nfs/dbraw/zinc/45/87/94/1066458794.db2.gz RQDQNQVIDYXYFC-FQEVSTJZSA-N 0 0 500.514 3.845 20 0 KHADRN O=C(C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000514402831 1066458702 /nfs/dbraw/zinc/45/87/02/1066458702.db2.gz RQDQNQVIDYXYFC-HXUWFJFHSA-N 0 0 500.514 3.845 20 0 KHADRN CCCCn1c(CCC(=O)NCCc2csc(C)n2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514402836 1066458708 /nfs/dbraw/zinc/45/87/08/1066458708.db2.gz FWDCUTLQQHWGCP-UHFFFAOYSA-N 0 0 505.710 3.923 20 0 KHADRN O=C(NC1CC1)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C2CC2)cc1 ZINC000514402837 1066458790 /nfs/dbraw/zinc/45/87/90/1066458790.db2.gz RTVFLENZPBTPKK-UHFFFAOYSA-N 0 0 516.063 3.824 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N(CCOC)c1nc3ccccc3s1)n2C ZINC000514402865 1066458827 /nfs/dbraw/zinc/45/88/27/1066458827.db2.gz SFDRWJFCUXHIJM-UHFFFAOYSA-N 0 0 529.688 3.826 20 0 KHADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000514402880 1066458044 /nfs/dbraw/zinc/45/80/44/1066458044.db2.gz GRGQLQXEHUXCFQ-BDTNDASRSA-N 0 0 545.683 3.650 20 0 KHADRN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)c1 ZINC000514402881 1066458235 /nfs/dbraw/zinc/45/82/35/1066458235.db2.gz SKLYOUXFQPDMLD-UHFFFAOYSA-N 0 0 534.125 3.586 20 0 KHADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](CSC)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000514402884 1066457995 /nfs/dbraw/zinc/45/79/95/1066457995.db2.gz GRGQLQXEHUXCFQ-BHIFYINESA-N 0 0 545.683 3.650 20 0 KHADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000514402885 1066458106 /nfs/dbraw/zinc/45/81/06/1066458106.db2.gz GRGQLQXEHUXCFQ-FKBYEOEOSA-N 0 0 545.683 3.650 20 0 KHADRN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H](CSC)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1 ZINC000514402886 1066458161 /nfs/dbraw/zinc/45/81/61/1066458161.db2.gz GRGQLQXEHUXCFQ-VSKRKVRLSA-N 0 0 545.683 3.650 20 0 KHADRN CCCCn1c(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000514402900 1066458073 /nfs/dbraw/zinc/45/80/73/1066458073.db2.gz STJGEWBFZJLOFQ-JOCHJYFZSA-N 0 0 559.111 3.675 20 0 KHADRN CCCCn1c(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000514402902 1066458153 /nfs/dbraw/zinc/45/81/53/1066458153.db2.gz STJGEWBFZJLOFQ-QFIPXVFZSA-N 0 0 559.111 3.675 20 0 KHADRN COc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1S(=O)(=O)N1CCCCC1 ZINC000514402911 1066458123 /nfs/dbraw/zinc/45/81/23/1066458123.db2.gz SUGNUMVLEHPHIS-UHFFFAOYSA-N 0 0 516.645 3.640 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)n2C)c1 ZINC000514402912 1066458178 /nfs/dbraw/zinc/45/81/78/1066458178.db2.gz HCTGLIZIHJAHKI-GOSISDBHSA-N 0 0 501.678 3.652 20 0 KHADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)Cc3ccccc3)n2C)c1 ZINC000514402914 1066458039 /nfs/dbraw/zinc/45/80/39/1066458039.db2.gz HCTGLIZIHJAHKI-SFHVURJKSA-N 0 0 501.678 3.652 20 0 KHADRN COC(=O)C1CCN(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2OC)CCCC4)CC1 ZINC000514402915 1066458228 /nfs/dbraw/zinc/45/82/28/1066458228.db2.gz HERQVLSPQCUQAE-UHFFFAOYSA-N 0 0 527.668 3.838 20 0 KHADRN 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KHADRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)C2 ZINC001139584675 1066860247 /nfs/dbraw/zinc/86/02/47/1066860247.db2.gz LKABTHJEVYBMOE-QGZVFWFLSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1CCN(Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)[C@H]2COCc1cccnc1 ZINC001139585417 1066860217 /nfs/dbraw/zinc/86/02/17/1066860217.db2.gz RVWASEQJKGNUPI-FQEVSTJZSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1CCN(Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)[C@@H]2COCc1cccnc1 ZINC001139585420 1066860283 /nfs/dbraw/zinc/86/02/83/1066860283.db2.gz RVWASEQJKGNUPI-HXUWFJFHSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)C2 ZINC001139586035 1066860398 /nfs/dbraw/zinc/86/03/98/1066860398.db2.gz YSVQGZGZETVGER-INIZCTEOSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)C2 ZINC001139586036 1066860271 /nfs/dbraw/zinc/86/02/71/1066860271.db2.gz YSVQGZGZETVGER-MRXNPFEDSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@H](COCc1cccnc1)CN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)C2 ZINC001140186391 1066860209 /nfs/dbraw/zinc/86/02/09/1066860209.db2.gz JSUNALCSBZBIMG-KRWDZBQOSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)C2 ZINC001140186392 1066860139 /nfs/dbraw/zinc/86/01/39/1066860139.db2.gz JSUNALCSBZBIMG-QGZVFWFLSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1CCN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)[C@H]2COCc1cccnc1 ZINC001140186927 1066860077 /nfs/dbraw/zinc/86/00/77/1066860077.db2.gz ZPWJMVOSFKERQI-FQEVSTJZSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1CCN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)[C@@H]2COCc1cccnc1 ZINC001140186928 1066860334 /nfs/dbraw/zinc/86/03/34/1066860334.db2.gz ZPWJMVOSFKERQI-HXUWFJFHSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)C2 ZINC001140190177 1066860385 /nfs/dbraw/zinc/86/03/85/1066860385.db2.gz SMPBIXAILSLSAZ-INIZCTEOSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)C2 ZINC001140190179 1066860260 /nfs/dbraw/zinc/86/02/60/1066860260.db2.gz SMPBIXAILSLSAZ-MRXNPFEDSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)CC2 ZINC001140190445 1066860126 /nfs/dbraw/zinc/86/01/26/1066860126.db2.gz XWSVTAQGRSQTAF-UHFFFAOYSA-N 0 0 500.003 3.563 20 0 KHADRN Clc1nc(Sc2nc3ccccc3o2)sc1CN1CCCn2nnc(Cn3cnnc3)c2C1 ZINC001140397575 1066860822 /nfs/dbraw/zinc/86/08/22/1066860822.db2.gz WOAABARBSGOPCS-UHFFFAOYSA-N 0 0 500.013 3.726 20 0 KHADRN Fc1ccc(Cc2nnc3n2CCN(Cc2cc4nc(Cl)nc(N5CCOCC5)c4s2)C3)cc1 ZINC001140569190 1066860851 /nfs/dbraw/zinc/86/08/51/1066860851.db2.gz GASNZFOYNBRFST-UHFFFAOYSA-N 0 0 500.003 3.519 20 0 KHADRN O=C(Cc1cccnc1)NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12 ZINC001142151509 1066861054 /nfs/dbraw/zinc/86/10/54/1066861054.db2.gz RJPQIMUKSBWVLS-UHFFFAOYSA-N 0 0 500.005 3.537 20 0 KHADRN O=C(Cc1ccccn1)NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12 ZINC001142168240 1066861039 /nfs/dbraw/zinc/86/10/39/1066861039.db2.gz HLHBBBLHRABYAE-UHFFFAOYSA-N 0 0 500.005 3.537 20 0 KHADRN O=C(Cc1ccncc1)NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12 ZINC001142185269 1066861003 /nfs/dbraw/zinc/86/10/03/1066861003.db2.gz VSWLLVSUZUUXDT-UHFFFAOYSA-N 0 0 500.005 3.537 20 0 KHADRN Cc1ccc(C(=O)NCCc2cn(S(=O)(=O)c3c(Cl)nc4sccn43)c3ccccc23)cn1 ZINC001147168459 1066515928 /nfs/dbraw/zinc/51/59/28/1066515928.db2.gz UNVHWUXGYFDPDJ-UHFFFAOYSA-N 0 0 500.005 3.917 20 0 KHADRN Cc1cccc(C(=O)NCCc2cn(S(=O)(=O)c3c(Cl)nc4sccn43)c3ccccc23)n1 ZINC001147221769 1066515956 /nfs/dbraw/zinc/51/59/56/1066515956.db2.gz MXTOGGLEGOGSTC-UHFFFAOYSA-N 0 0 500.005 3.917 20 0 KHADRN Cc1cncc(C(=O)NCCc2cn(S(=O)(=O)c3c(Cl)nc4sccn43)c3ccccc23)c1 ZINC001147405219 1066516063 /nfs/dbraw/zinc/51/60/63/1066516063.db2.gz MAKUAEASXCWYCZ-UHFFFAOYSA-N 0 0 500.005 3.917 20 0 KHADRN Cc1ccc(C(=O)NCCc2cn(S(=O)(=O)c3c(Cl)nc4sccn43)c3ccccc23)nc1 ZINC001147453529 1066515883 /nfs/dbraw/zinc/51/58/83/1066515883.db2.gz GQTGUWPRKIZFNS-UHFFFAOYSA-N 0 0 500.005 3.917 20 0 KHADRN CN1CCN(C)[C@@H](c2nnc3ccc(C(=O)Nc4c(Cl)cccc4NC(=O)OC(C)(C)C)cn32)C1 ZINC001150396207 1066860966 /nfs/dbraw/zinc/86/09/66/1066860966.db2.gz BNKIQLRAIYNESC-GOSISDBHSA-N 0 0 500.003 3.900 20 0 KHADRN CN1CCN(C)[C@H](c2nnc3ccc(C(=O)Nc4c(Cl)cccc4NC(=O)OC(C)(C)C)cn32)C1 ZINC001150396208 1066860898 /nfs/dbraw/zinc/86/08/98/1066860898.db2.gz BNKIQLRAIYNESC-SFHVURJKSA-N 0 0 500.003 3.900 20 0 KHADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)c1cnc3ccc(Cl)nn31)CCC2)C1CCC1 ZINC001153209021 1066860952 /nfs/dbraw/zinc/86/09/52/1066860952.db2.gz XGFQFMRYMVARKR-UHFFFAOYSA-N 0 0 500.003 3.915 20 0 KHADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)c1cnn3ccc(Cl)nc13)CCC2)C1CCC1 ZINC001154774995 1066860983 /nfs/dbraw/zinc/86/09/83/1066860983.db2.gz UJQCESNTVMLMCQ-UHFFFAOYSA-N 0 0 500.003 3.915 20 0 KHADRN CC(C)(C)OC(=O)N(Cc1ncn2c1CN(C(=O)c1nnc3cccc(Cl)n31)CCC2)C1CCC1 ZINC001156021889 1066860934 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1066532151 /nfs/dbraw/zinc/53/21/51/1066532151.db2.gz AMYSEJMSPXFYAI-KXBFYZLASA-N 0 0 500.003 3.862 20 0 KHADRN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)Nc2nc(N)cnc2Cl)c2cc3ccccc3[nH]2)C1 ZINC001186133711 1066532210 /nfs/dbraw/zinc/53/22/10/1066532210.db2.gz GYORLBKGWCQHLD-BEFAXECRSA-N 0 0 500.003 3.862 20 0 KHADRN CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)Nc2nc(N)cnc2Cl)c2cc3ccccc3[nH]2)C1 ZINC001186133712 1066532128 /nfs/dbraw/zinc/53/21/28/1066532128.db2.gz GYORLBKGWCQHLD-DNVCBOLYSA-N 0 0 500.003 3.862 20 0 KHADRN CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)Nc2nc(N)cnc2Cl)c2cc3ccccc3[nH]2)C1 ZINC001186133713 1066531948 /nfs/dbraw/zinc/53/19/48/1066531948.db2.gz GYORLBKGWCQHLD-HNAYVOBHSA-N 0 0 500.003 3.862 20 0 KHADRN CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)Nc2nc(N)cnc2Cl)c2cc3ccccc3[nH]2)C1 ZINC001186133715 1066532120 /nfs/dbraw/zinc/53/21/20/1066532120.db2.gz GYORLBKGWCQHLD-KXBFYZLASA-N 0 0 500.003 3.862 20 0 KHADRN Cc1ccc([C@H](C(=O)Nc2nc(Cl)nc3[nH]cnc32)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186138279 1066532034 /nfs/dbraw/zinc/53/20/34/1066532034.db2.gz NOMDJNKANVJDBX-GOSISDBHSA-N 0 0 500.003 3.984 20 0 KHADRN Cc1ccc([C@@H](C(=O)Nc2nc(Cl)nc3[nH]cnc32)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186138280 1066531969 /nfs/dbraw/zinc/53/19/69/1066531969.db2.gz NOMDJNKANVJDBX-SFHVURJKSA-N 0 0 500.003 3.984 20 0 KHADRN Cc1ccc([C@H](C(=O)Nc2nc3n[nH]cc3c(Cl)n2)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186139507 1066532101 /nfs/dbraw/zinc/53/21/01/1066532101.db2.gz YRHCBDFDTWGOJU-GOSISDBHSA-N 0 0 500.003 3.984 20 0 KHADRN Cc1ccc([C@@H](C(=O)Nc2nc3n[nH]cc3c(Cl)n2)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186139510 1066532236 /nfs/dbraw/zinc/53/22/36/1066532236.db2.gz YRHCBDFDTWGOJU-SFHVURJKSA-N 0 0 500.003 3.984 20 0 KHADRN O=S(=O)(c1c(Cl)nc2sccn21)N1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC001187114288 1066532214 /nfs/dbraw/zinc/53/22/14/1066532214.db2.gz WEXXEHOSNBBMKI-UHFFFAOYSA-N 0 0 500.009 3.722 20 0 KHADRN O=S(=O)(c1c(Cl)nc2sccn21)N1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001187116165 1066532156 /nfs/dbraw/zinc/53/21/56/1066532156.db2.gz VJLYQAFPYQNCMS-UHFFFAOYSA-N 0 0 500.009 3.722 20 0 KHADRN CNS(=O)(=O)c1ccc(C(=O)N[C@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)cc1 ZINC001188131247 1066532022 /nfs/dbraw/zinc/53/20/22/1066532022.db2.gz PXJZQZYNQIQQIW-IAPPQJPRSA-N 0 0 500.576 3.731 20 0 KHADRN CNS(=O)(=O)c1ccc(C(=O)N[C@@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)cc1 ZINC001188131274 1066532228 /nfs/dbraw/zinc/53/22/28/1066532228.db2.gz PXJZQZYNQIQQIW-IXCJQBJRSA-N 0 0 500.576 3.731 20 0 KHADRN CNS(=O)(=O)c1ccc(C(=O)N[C@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)cc1 ZINC001188131275 1066532011 /nfs/dbraw/zinc/53/20/11/1066532011.db2.gz PXJZQZYNQIQQIW-XCZPVHLTSA-N 0 0 500.576 3.731 20 0 KHADRN CNS(=O)(=O)c1ccc(C(=O)N[C@@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)cc1 ZINC001188131276 1066531926 /nfs/dbraw/zinc/53/19/26/1066531926.db2.gz PXJZQZYNQIQQIW-XTEPFMGCSA-N 0 0 500.576 3.731 20 0 KHADRN Cc1ccncc1C(=O)NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12 ZINC001188241480 1066532722 /nfs/dbraw/zinc/53/27/22/1066532722.db2.gz LPIZSEOCDRWPGQ-UHFFFAOYSA-N 0 0 500.005 3.917 20 0 KHADRN Cc1cc(C(=O)NCCc2cn(S(=O)(=O)c3c(Cl)nc4sccn43)c3ccccc23)ccn1 ZINC001188799247 1066532744 /nfs/dbraw/zinc/53/27/44/1066532744.db2.gz XQFUQAOHJPUTAD-UHFFFAOYSA-N 0 0 500.005 3.917 20 0 KHADRN CNC(=O)c1ccc(S(=O)(=O)N[C@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)cc1 ZINC001191648167 1066532736 /nfs/dbraw/zinc/53/27/36/1066532736.db2.gz GQCVEKVKGXWHKO-IAPPQJPRSA-N 0 0 500.576 3.731 20 0 KHADRN CNC(=O)c1ccc(S(=O)(=O)N[C@@]2(O)C=Cc3ccccc3[C@@H]2c2c(O)ccc3ccccc32)cc1 ZINC001191648168 1066532432 /nfs/dbraw/zinc/53/24/32/1066532432.db2.gz GQCVEKVKGXWHKO-IXCJQBJRSA-N 0 0 500.576 3.731 20 0 KHADRN CNC(=O)c1ccc(S(=O)(=O)N[C@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)cc1 ZINC001191648169 1066532653 /nfs/dbraw/zinc/53/26/53/1066532653.db2.gz GQCVEKVKGXWHKO-XCZPVHLTSA-N 0 0 500.576 3.731 20 0 KHADRN CNC(=O)c1ccc(S(=O)(=O)N[C@@]2(O)C=Cc3ccccc3[C@H]2c2c(O)ccc3ccccc32)cc1 ZINC001191648170 1066532702 /nfs/dbraw/zinc/53/27/02/1066532702.db2.gz GQCVEKVKGXWHKO-XTEPFMGCSA-N 0 0 500.576 3.731 20 0 KHADRN Cc1nc(-c2ccc(C)cc2)c(C(=O)n2c(Cl)cncc2=NS(=O)(=O)c2ccc(N)cc2)s1 ZINC001193892504 1066532611 /nfs/dbraw/zinc/53/26/11/1066532611.db2.gz AJIGABNYAYQIDP-UHFFFAOYSA-N 0 0 500.005 3.837 20 0 KHADRN O=C(Nc1cccnc1)c1nc2c(s1)CCN(S(=O)(=O)c1cccc3c(Cl)nccc31)CC2 ZINC001194470311 1066532590 /nfs/dbraw/zinc/53/25/90/1066532590.db2.gz LXWKUJSGZCWSSN-UHFFFAOYSA-N 0 0 500.005 3.782 20 0 KHADRN O=C(Nc1ccc(Cl)cc1)c1nc2c(s1)CCN(S(=O)(=O)c1cccc3nccnc31)CC2 ZINC001194950158 1066532517 /nfs/dbraw/zinc/53/25/17/1066532517.db2.gz JIVXPPWMLSQATH-UHFFFAOYSA-N 0 0 500.005 3.782 20 0 KHADRN O=C(Nc1cccc(Cl)c1)c1nc2c(s1)CCN(S(=O)(=O)c1cccc3nccnc31)CC2 ZINC001194955681 1066532571 /nfs/dbraw/zinc/53/25/71/1066532571.db2.gz FQHASCWQMQGGPC-UHFFFAOYSA-N 0 0 500.005 3.782 20 0 KHADRN CS(=O)(=O)Cc1ncccc1C(=O)N[C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001196063845 1066532623 /nfs/dbraw/zinc/53/26/23/1066532623.db2.gz OQCYAZKRPYZCSL-IAPPQJPRSA-N 0 0 500.576 3.762 20 0 KHADRN CS(=O)(=O)Cc1ncccc1C(=O)N[C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21 ZINC001196063846 1066532763 /nfs/dbraw/zinc/53/27/63/1066532763.db2.gz OQCYAZKRPYZCSL-IXCJQBJRSA-N 0 0 500.576 3.762 20 0 KHADRN CS(=O)(=O)Cc1ncccc1C(=O)N[C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001196063847 1066532542 /nfs/dbraw/zinc/53/25/42/1066532542.db2.gz OQCYAZKRPYZCSL-XCZPVHLTSA-N 0 0 500.576 3.762 20 0 KHADRN CS(=O)(=O)Cc1ncccc1C(=O)N[C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21 ZINC001196063848 1066532661 /nfs/dbraw/zinc/53/26/61/1066532661.db2.gz OQCYAZKRPYZCSL-XTEPFMGCSA-N 0 0 500.576 3.762 20 0 KHADRN O=C(Nc1cccc(Cl)c1)c1nc2c(s1)CCN(S(=O)(=O)c1ccc3nccnc3c1)CC2 ZINC001198124065 1066532710 /nfs/dbraw/zinc/53/27/10/1066532710.db2.gz KVIPZMUZDHDUOB-UHFFFAOYSA-N 0 0 500.005 3.782 20 0 KHADRN O=C(Nc1ccc(Cl)cc1)c1nc2c(s1)CCN(S(=O)(=O)c1ccc3nccnc3c1)CC2 ZINC001198125470 1066532674 /nfs/dbraw/zinc/53/26/74/1066532674.db2.gz POYPZQPTMUFADI-UHFFFAOYSA-N 0 0 500.005 3.782 20 0 KHADRN Cc1cccc(-c2cc(N)c(C(=O)n3c(Cl)cncc3=NS(=O)(=O)c3ccc(N)cc3)s2)c1 ZINC001219470029 1066862285 /nfs/dbraw/zinc/86/22/85/1066862285.db2.gz PQGAAIOKEWVBRF-UHFFFAOYSA-N 0 0 500.005 3.716 20 0 KHADRN Nc1ccccc1C(=O)NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12 ZINC001220555477 1066862454 /nfs/dbraw/zinc/86/24/54/1066862454.db2.gz JPQKZDUNCAMSND-UHFFFAOYSA-N 0 0 500.005 3.796 20 0 KHADRN Cc1cc(O)ccc1[C@@]1(c2ccc(O[C@@H]3CCS(=O)(=O)C3)cc2C)c2ccccc2OS1(=O)=O ZINC001234826200 1066864637 /nfs/dbraw/zinc/86/46/37/1066864637.db2.gz TUYFDXDZXKWOIP-CJFMBICVSA-N 0 0 500.594 3.589 20 0 KHADRN Cc1cc(O)ccc1[C@]1(c2ccc(O[C@H]3CCS(=O)(=O)C3)cc2C)c2ccccc2OS1(=O)=O ZINC001234826206 1066864923 /nfs/dbraw/zinc/86/49/23/1066864923.db2.gz TUYFDXDZXKWOIP-CPJSRVTESA-N 0 0 500.594 3.589 20 0 KHADRN Cc1cc(O)ccc1[C@@]1(c2ccc(O[C@H]3CCS(=O)(=O)C3)cc2C)c2ccccc2OS1(=O)=O ZINC001234826208 1066864753 /nfs/dbraw/zinc/86/47/53/1066864753.db2.gz TUYFDXDZXKWOIP-NBGIEHNGSA-N 0 0 500.594 3.589 20 0 KHADRN Cc1cc(O)ccc1[C@]1(c2ccc(O[C@@H]3CCS(=O)(=O)C3)cc2C)c2ccccc2OS1(=O)=O ZINC001234826210 1066864539 /nfs/dbraw/zinc/86/45/39/1066864539.db2.gz TUYFDXDZXKWOIP-NLFFAJNJSA-N 0 0 500.594 3.589 20 0 KHADRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)CC2 ZINC001235711512 1066864704 /nfs/dbraw/zinc/86/47/04/1066864704.db2.gz CCWHGFBNVIUCMU-UHFFFAOYSA-N 0 0 500.003 3.563 20 0 KHADRN Cn1nnc2c1[C@H](COCc1ccccn1)CN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)C2 ZINC001235716272 1066864931 /nfs/dbraw/zinc/86/49/31/1066864931.db2.gz SBZWKFRLGIWABY-KRWDZBQOSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@@H](COCc1ccccn1)CN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)C2 ZINC001235716273 1066864591 /nfs/dbraw/zinc/86/45/91/1066864591.db2.gz SBZWKFRLGIWABY-QGZVFWFLSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1CCN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)[C@H]2COCc1cccnc1 ZINC001235716277 1066864573 /nfs/dbraw/zinc/86/45/73/1066864573.db2.gz SGDHQVNSIGREPR-IBGZPJMESA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1CCN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)[C@@H]2COCc1cccnc1 ZINC001235716278 1066864947 /nfs/dbraw/zinc/86/49/47/1066864947.db2.gz SGDHQVNSIGREPR-LJQANCHMSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)C2 ZINC001235717026 1066864734 /nfs/dbraw/zinc/86/47/34/1066864734.db2.gz XBVHIMBNYTZNLJ-GOSISDBHSA-N 0 0 500.003 3.922 20 0 KHADRN Cn1nnc2c1[C@H](COCc1cccnc1)CN(Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)C2 ZINC001235717029 1066864837 /nfs/dbraw/zinc/86/48/37/1066864837.db2.gz XBVHIMBNYTZNLJ-SFHVURJKSA-N 0 0 500.003 3.922 20 0 KHADRN