smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165051739 721989368 /nfs/dbraw/zinc/98/93/68/721989368.db2.gz XMWBMRPSMXDMST-UHFFFAOYSA-N -1 0 424.860 4.367 20 0 HIADRM COc1ccc(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[n-]2)c(F)c1 ZINC000435953688 861216715 /nfs/dbraw/zinc/21/67/15/861216715.db2.gz ASHXBZNJAWGMLL-UHFFFAOYSA-N -1 0 410.426 4.119 20 0 HIADRM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(OC)cc1Br ZINC000436012031 861303645 /nfs/dbraw/zinc/30/36/45/861303645.db2.gz GIAJSNYDQAUHQZ-UHFFFAOYSA-N -1 0 420.712 4.229 20 0 HIADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000436020312 861312256 /nfs/dbraw/zinc/31/22/56/861312256.db2.gz ZACGKBQZLVIIQS-OAHLLOKOSA-N -1 0 404.557 4.224 20 0 HIADRM O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC000436019199 861310839 /nfs/dbraw/zinc/31/08/39/861310839.db2.gz MXOUZXZVBQWSLP-UHFFFAOYSA-N -1 0 407.417 4.439 20 0 HIADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N1CCCCC1 ZINC000436022493 861316692 /nfs/dbraw/zinc/31/66/92/861316692.db2.gz RYMZEGUBBHUQOJ-UHFFFAOYSA-N -1 0 424.975 4.489 20 0 HIADRM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436024954 861317852 /nfs/dbraw/zinc/31/78/52/861317852.db2.gz FFHRHRPWEKVFNC-UHFFFAOYSA-N -1 0 418.412 4.127 20 0 HIADRM CSc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000436024457 861318057 /nfs/dbraw/zinc/31/80/57/861318057.db2.gz ISNSGZLSRQCKIQ-UHFFFAOYSA-N -1 0 410.948 4.099 20 0 HIADRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000436025845 861320701 /nfs/dbraw/zinc/32/07/01/861320701.db2.gz HSWXAOSTPLGUSR-UHFFFAOYSA-N -1 0 406.467 4.216 20 0 HIADRM O=S(=O)([N-]c1ccc(Oc2nc3ccccc3s2)c(Cl)c1)c1cn[nH]c1 ZINC000436162216 861463617 /nfs/dbraw/zinc/46/36/17/861463617.db2.gz NLXQAJZZNSEACN-UHFFFAOYSA-N -1 0 406.876 4.266 20 0 HIADRM COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000006178243 845181785 /nfs/dbraw/zinc/18/17/85/845181785.db2.gz MANIRVRTVBDEPR-QFBILLFUSA-N -1 0 416.543 4.113 20 0 HIADRM Cc1ccc(N2C(=O)c3ccccc3/C(=C/c3ccc(OCC(=O)[O-])cc3)C2=O)cc1 ZINC000007167784 845268556 /nfs/dbraw/zinc/26/85/56/845268556.db2.gz HSBPVVQHYMWRPS-HMAPJEAMSA-N -1 0 413.429 4.186 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 ZINC000008180669 845488382 /nfs/dbraw/zinc/48/83/82/845488382.db2.gz JFRJCVHPNRNUCN-UHFFFAOYSA-N -1 0 410.495 4.365 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000008322918 845512986 /nfs/dbraw/zinc/51/29/86/845512986.db2.gz FZMBCCHHQUCUJP-MDZDMXLPSA-N -1 0 414.820 4.333 20 0 HIADRM O=S(=O)([N-]c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cccc2cccnc21 ZINC000008697194 845546439 /nfs/dbraw/zinc/54/64/39/845546439.db2.gz OFJOVYCJBKPQNY-UHFFFAOYSA-N -1 0 418.400 4.240 20 0 HIADRM Cc1cc(CNC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)ccc1F ZINC000010552394 845673036 /nfs/dbraw/zinc/67/30/36/845673036.db2.gz YXCGMFMBRSDXIK-UHFFFAOYSA-N -1 0 413.518 4.383 20 0 HIADRM CCc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000011411480 845791668 /nfs/dbraw/zinc/79/16/68/845791668.db2.gz MEXSCAZAWWOAQF-UHFFFAOYSA-N -1 0 405.479 4.141 20 0 HIADRM COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc1CC(=O)[O-] ZINC000013066886 845903305 /nfs/dbraw/zinc/90/33/05/845903305.db2.gz POBMWTFUPWZNBQ-MDZDMXLPSA-N -1 0 424.884 4.425 20 0 HIADRM CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC ZINC000013066627 845904400 /nfs/dbraw/zinc/90/44/00/845904400.db2.gz RLYCKXFPXSKAMF-OQLLNIDSSA-N -1 0 414.845 4.381 20 0 HIADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000013069728 845904621 /nfs/dbraw/zinc/90/46/21/845904621.db2.gz JKCUACFRZHTQPC-AWEZNQCLSA-N -1 0 422.915 4.174 20 0 HIADRM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000013069727 845905266 /nfs/dbraw/zinc/90/52/66/845905266.db2.gz JKCUACFRZHTQPC-CQSZACIVSA-N -1 0 422.915 4.174 20 0 HIADRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000013184691 845908179 /nfs/dbraw/zinc/90/81/79/845908179.db2.gz RFVHRWGKTLZUOS-VIFPVBQESA-N -1 0 414.266 4.477 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cccc(Cl)c1Cl)CC2 ZINC000013181887 845908387 /nfs/dbraw/zinc/90/83/87/845908387.db2.gz MIKLHRVTTRTLDG-OAHLLOKOSA-N -1 0 424.280 4.225 20 0 HIADRM O=C([O-])C1(c2ccccc2)CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 ZINC000013185775 845909409 /nfs/dbraw/zinc/90/94/09/845909409.db2.gz YTJAYOIXLJKRMZ-UHFFFAOYSA-N -1 0 415.489 4.377 20 0 HIADRM C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013198877 845909785 /nfs/dbraw/zinc/90/97/85/845909785.db2.gz QXKBPTCIXHMMKF-JTQLQIEISA-N -1 0 410.904 4.030 20 0 HIADRM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)cc(OC)c1OCc1ccccc1 ZINC000013259577 845912017 /nfs/dbraw/zinc/91/20/17/845912017.db2.gz XPWTYHZPOVXXIV-UHFFFAOYSA-N -1 0 407.422 4.233 20 0 HIADRM CCOC(=O)c1c(NC(=O)CC2(C(=O)[O-])CCCCC2)sc2c1CCSC2 ZINC000013251058 845912133 /nfs/dbraw/zinc/91/21/33/845912133.db2.gz CAGLDKHRHMTRCK-UHFFFAOYSA-N -1 0 411.545 4.078 20 0 HIADRM CC(C)N(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013341753 845915433 /nfs/dbraw/zinc/91/54/33/845915433.db2.gz WHKZVUMIOISYOR-UHFFFAOYSA-N -1 0 402.299 4.291 20 0 HIADRM O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000014052462 845920900 /nfs/dbraw/zinc/92/09/00/845920900.db2.gz UNKFHDDDEIMPSK-UHFFFAOYSA-N -1 0 402.859 4.099 20 0 HIADRM O=C(NCC(F)(F)F)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000014870356 845988748 /nfs/dbraw/zinc/98/87/48/845988748.db2.gz DRHMFQRGOOBHHB-MDZDMXLPSA-N -1 0 418.824 4.045 20 0 HIADRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Oc3cccc(C)c3)ccc21 ZINC000015245290 846022817 /nfs/dbraw/zinc/02/28/17/846022817.db2.gz CQMXBNBDXZSGRJ-UHFFFAOYSA-N -1 0 422.506 4.497 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1 ZINC000015385058 846043307 /nfs/dbraw/zinc/04/33/07/846043307.db2.gz LJOQFWBEAUWMMN-UHFFFAOYSA-N -1 0 424.522 4.077 20 0 HIADRM O=C(CSc1ccc(Cl)cc1)N[N-]C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000015431416 846047348 /nfs/dbraw/zinc/04/73/48/846047348.db2.gz KCSXXJXEOJSZGI-UHFFFAOYSA-N -1 0 404.850 4.292 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000015588824 846068383 /nfs/dbraw/zinc/06/83/83/846068383.db2.gz SVCAVUUFIWWGLI-UHFFFAOYSA-N -1 0 418.421 4.027 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C)oc2C)ccc1C ZINC000015633160 846075960 /nfs/dbraw/zinc/07/59/60/846075960.db2.gz WWPISOMSGMILAV-UHFFFAOYSA-N -1 0 414.483 4.267 20 0 HIADRM O=C([N-]NC(=O)c1ccc(Br)s1)c1sc2ccccc2c1Cl ZINC000016062181 846117974 /nfs/dbraw/zinc/11/79/74/846117974.db2.gz KZPHAZJNXIDNMI-UHFFFAOYSA-N -1 0 415.721 4.454 20 0 HIADRM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000016097199 846123610 /nfs/dbraw/zinc/12/36/10/846123610.db2.gz YUGKSZCHHXMMSK-UHFFFAOYSA-N -1 0 408.479 4.026 20 0 HIADRM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016127270 846127865 /nfs/dbraw/zinc/12/78/65/846127865.db2.gz GZZOVPXXXGXALY-UHFFFAOYSA-N -1 0 423.800 4.134 20 0 HIADRM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(NC(=S)NC2CC2)ccc1Cl ZINC000016220192 846139439 /nfs/dbraw/zinc/13/94/39/846139439.db2.gz UTVSJRZBGBSEOU-UHFFFAOYSA-N -1 0 416.355 4.243 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)c2)no1 ZINC000016643728 846194376 /nfs/dbraw/zinc/19/43/76/846194376.db2.gz LCUXUADIMDRGOD-UHFFFAOYSA-N -1 0 413.499 4.334 20 0 HIADRM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2Cl)cc1 ZINC000016729162 846202891 /nfs/dbraw/zinc/20/28/91/846202891.db2.gz CQGGLUFJMRLUQS-UHFFFAOYSA-N -1 0 402.859 4.032 20 0 HIADRM COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O ZINC000016959582 846222132 /nfs/dbraw/zinc/22/21/32/846222132.db2.gz MNEOGGUCKFXPKH-UHFFFAOYSA-N -1 0 404.875 4.126 20 0 HIADRM CCn1c(=O)c2ccc(C(=O)N(C)Cc3cccc(Cl)c3Cl)cc2[n-]c1=S ZINC000017917390 846276664 /nfs/dbraw/zinc/27/66/64/846276664.db2.gz VIIQTVFBICVOCA-UHFFFAOYSA-N -1 0 422.337 4.284 20 0 HIADRM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cc4c(c(Cl)c3)OCO4)SC2=S)c1 ZINC000020620339 846386095 /nfs/dbraw/zinc/38/60/95/846386095.db2.gz AKBYKANAULPBFR-MKMNVTDBSA-N -1 0 419.867 4.173 20 0 HIADRM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000020921814 846396435 /nfs/dbraw/zinc/39/64/35/846396435.db2.gz XSSREQKTWFJLCH-UHFFFAOYSA-N -1 0 418.421 4.027 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(F)c2)c1 ZINC000021216949 846418376 /nfs/dbraw/zinc/41/83/76/846418376.db2.gz LSJHEQQSYHJZLI-UHFFFAOYSA-N -1 0 414.458 4.196 20 0 HIADRM Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)s[n-]1 ZINC000436367281 861702266 /nfs/dbraw/zinc/70/22/66/861702266.db2.gz RCPRJYPYFQCEAP-JOYOIKCWSA-N -1 0 410.446 4.092 20 0 HIADRM C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Cl)cc1Cl ZINC000023416717 846698846 /nfs/dbraw/zinc/69/88/46/846698846.db2.gz NQHAOWXECWZMQR-VIFPVBQESA-N -1 0 417.245 4.002 20 0 HIADRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c(C(F)(F)F)c1 ZINC000024375852 846819072 /nfs/dbraw/zinc/81/90/72/846819072.db2.gz DWZIFJBNTRUJNS-UHFFFAOYSA-N -1 0 423.416 4.321 20 0 HIADRM COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000024400463 846821322 /nfs/dbraw/zinc/82/13/22/846821322.db2.gz UEMHFBBYCQQFJC-CQSZACIVSA-N -1 0 420.918 4.444 20 0 HIADRM O=C(Cc1csc(-c2cccc(Br)c2)n1)[N-]OCc1ccccc1 ZINC000025284845 846952421 /nfs/dbraw/zinc/95/24/21/846952421.db2.gz VYLMSDBVPZLTBK-UHFFFAOYSA-N -1 0 403.301 4.363 20 0 HIADRM COc1ccc(-c2cc3[n-]c(CN(C)Cc4ccccc4OC)nc(=O)c3s2)cc1 ZINC000027348424 847287324 /nfs/dbraw/zinc/28/73/24/847287324.db2.gz QHUZPEUZSWRHDY-UHFFFAOYSA-N -1 0 421.522 4.301 20 0 HIADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c(Cl)c1 ZINC000027802297 847352194 /nfs/dbraw/zinc/35/21/94/847352194.db2.gz WPZACYVTDBWCHD-UHFFFAOYSA-N -1 0 419.890 4.364 20 0 HIADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Br)c1 ZINC000028195945 847394783 /nfs/dbraw/zinc/39/47/83/847394783.db2.gz OSYJHHQMHWJQQE-UHFFFAOYSA-N -1 0 418.696 4.080 20 0 HIADRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(Br)c1 ZINC000028195736 847395078 /nfs/dbraw/zinc/39/50/78/847395078.db2.gz GDVGSEMLSXEOTI-UHFFFAOYSA-N -1 0 405.111 4.321 20 0 HIADRM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1C ZINC000028249123 847398734 /nfs/dbraw/zinc/39/87/34/847398734.db2.gz IIGIABFUAWCRMW-UHFFFAOYSA-N -1 0 407.797 4.255 20 0 HIADRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC000028868728 847470467 /nfs/dbraw/zinc/47/04/67/847470467.db2.gz HNRZRTKMQRXJEI-UHFFFAOYSA-N -1 0 412.511 4.188 20 0 HIADRM CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000029010229 847493069 /nfs/dbraw/zinc/49/30/69/847493069.db2.gz IKSANMDIHLJFQN-CABCVRRESA-N -1 0 417.458 4.336 20 0 HIADRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1CCc1ccccc1 ZINC000030032340 847675094 /nfs/dbraw/zinc/67/50/94/847675094.db2.gz DYUAJIHLYWJTMO-UHFFFAOYSA-N -1 0 403.507 4.042 20 0 HIADRM COc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000031407524 847878569 /nfs/dbraw/zinc/87/85/69/847878569.db2.gz SNYKYXDTSPDAGT-MRXNPFEDSA-N -1 0 418.559 4.311 20 0 HIADRM O=S(=O)([N-]c1cccc(Cl)c1-n1cncn1)c1cc(Cl)sc1Cl ZINC000031669491 847926686 /nfs/dbraw/zinc/92/66/86/847926686.db2.gz NSUZURAPYMIPPI-UHFFFAOYSA-N -1 0 409.707 4.090 20 0 HIADRM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(Br)cc1[O-] ZINC000436546530 861845401 /nfs/dbraw/zinc/84/54/01/861845401.db2.gz GGKJXHGOSPXHAI-CQSZACIVSA-N -1 0 406.276 4.355 20 0 HIADRM CN(CC(=O)NCc1cccs1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436546937 861845746 /nfs/dbraw/zinc/84/57/46/861845746.db2.gz HXAJLCQXGHRLNK-UHFFFAOYSA-N -1 0 414.914 4.163 20 0 HIADRM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000031722700 847937664 /nfs/dbraw/zinc/93/76/64/847937664.db2.gz FEPYXIUJWKYDJD-UHFFFAOYSA-N -1 0 414.321 4.274 20 0 HIADRM O=C(NCCCc1nnc2n1CCCCC2)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000436553025 861848758 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CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnn(-c3ccccc3C)c2C)cc1 ZINC000237426416 854030817 /nfs/dbraw/zinc/03/08/17/854030817.db2.gz YSUQFGCCAWUCLN-IBGZPJMESA-N -1 0 409.511 4.157 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000237434523 854032214 /nfs/dbraw/zinc/03/22/14/854032214.db2.gz USVXUOLGQKDCIG-DTWKUNHWSA-N -1 0 403.287 4.101 20 0 HIADRM C[C@@H](CC(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000237447763 854035168 /nfs/dbraw/zinc/03/51/68/854035168.db2.gz AWPXZAVFCJMIOS-AWEZNQCLSA-N -1 0 409.404 4.021 20 0 HIADRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000237450109 854035891 /nfs/dbraw/zinc/03/58/91/854035891.db2.gz PQAWRQQDKQJKEJ-MZKGEVEHSA-N -1 0 418.852 4.019 20 0 HIADRM C[C@@H](CN(C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1)C(=O)[O-] ZINC000237456321 854037273 /nfs/dbraw/zinc/03/72/73/854037273.db2.gz XTNPNVWYIKEUKO-STQMWFEESA-N -1 0 422.934 4.328 20 0 HIADRM C[C@@H](CN(C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C1CC1)C(=O)[O-] ZINC000237479466 854042474 /nfs/dbraw/zinc/04/24/74/854042474.db2.gz IKRXMEYIQFNLDU-AWEZNQCLSA-N -1 0 415.921 4.120 20 0 HIADRM C[C@@H](CN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)C1CC1)C(=O)[O-] ZINC000237478671 854042510 /nfs/dbraw/zinc/04/25/10/854042510.db2.gz PLXUTTKGQDJQOX-ZDUSSCGKSA-N -1 0 413.861 4.111 20 0 HIADRM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237484152 854043019 /nfs/dbraw/zinc/04/30/19/854043019.db2.gz ZSPBKSYOLHOICE-CHWSQXEVSA-N -1 0 422.344 4.375 20 0 HIADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)c1cccc(F)c1 ZINC000237509591 854047243 /nfs/dbraw/zinc/04/72/43/854047243.db2.gz NNDXGNNGCMAAHM-SJCJKPOMSA-N -1 0 408.267 4.414 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237508044 854047538 /nfs/dbraw/zinc/04/75/38/854047538.db2.gz LOACRLMHDJQCGN-QGZVFWFLSA-N -1 0 419.525 4.257 20 0 HIADRM Cc1cc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)s1 ZINC000237505420 854047609 /nfs/dbraw/zinc/04/76/09/854047609.db2.gz ZMFAGLSCQQZXBD-QMMMGPOBSA-N -1 0 408.328 4.409 20 0 HIADRM COc1ccc(C2(NC(=O)c3ccc(-n4ncc(C(=O)[O-])c4C)cc3)CCCC2)cc1 ZINC000237512567 854048731 /nfs/dbraw/zinc/04/87/31/854048731.db2.gz ROAOXTCPIYIGKR-UHFFFAOYSA-N -1 0 419.481 4.087 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000237533952 854051097 /nfs/dbraw/zinc/05/10/97/854051097.db2.gz QGPYYXDSSFLQCM-APPDUMDISA-N -1 0 402.244 4.387 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000237538651 854051299 /nfs/dbraw/zinc/05/12/99/854051299.db2.gz NKDMSKAWIXCUSI-IFXJQAMLSA-N -1 0 408.479 4.192 20 0 HIADRM Cc1cc(Br)ccc1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237544623 854052044 /nfs/dbraw/zinc/05/20/44/854052044.db2.gz JPNRZSFKRWNCKT-UHFFFAOYSA-N -1 0 412.230 4.153 20 0 HIADRM C[C@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237546173 854052156 /nfs/dbraw/zinc/05/21/56/854052156.db2.gz NYWOQZQVWXBQJL-LRDDRELGSA-N -1 0 408.317 4.262 20 0 HIADRM COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237542672 854052315 /nfs/dbraw/zinc/05/23/15/854052315.db2.gz YXBAUTRWNASMKU-PUHATCMVSA-N -1 0 403.478 4.012 20 0 HIADRM C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237541245 854052328 /nfs/dbraw/zinc/05/23/28/854052328.db2.gz RWVRLXIAMICCKJ-HWPZZCPQSA-N -1 0 400.338 4.239 20 0 HIADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237569874 854056113 /nfs/dbraw/zinc/05/61/13/854056113.db2.gz LQYIZMLNHAJGTR-YVEFUNNKSA-N -1 0 402.903 4.114 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)sc1C(=O)[O-] ZINC000237578441 854057322 /nfs/dbraw/zinc/05/73/22/854057322.db2.gz CITTYVNBXYKIHC-QMMMGPOBSA-N -1 0 423.853 4.397 20 0 HIADRM C[C@H](CN(C)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)[O-] ZINC000237579711 854057498 /nfs/dbraw/zinc/05/74/98/854057498.db2.gz HLOHSHDGWJHGSO-LLVKDONJSA-N -1 0 410.239 4.173 20 0 HIADRM Cc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cnn1-c1ccccc1F ZINC000237580548 854058598 /nfs/dbraw/zinc/05/85/98/854058598.db2.gz XRJKHQAJKYKANA-UHFFFAOYSA-N -1 0 413.474 4.280 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H]3c4ccccc4C[C@@H]3C)cc2)c(C)c1CCC(=O)[O-] ZINC000237593818 854059418 /nfs/dbraw/zinc/05/94/18/854059418.db2.gz XPVZCFASGBRQLV-IZHWHUGBSA-N -1 0 417.509 4.170 20 0 HIADRM C[C@H](CN(C(=O)CCCSc1ccc(Br)cc1)C1CC1)C(=O)[O-] ZINC000237593299 854059854 /nfs/dbraw/zinc/05/98/54/854059854.db2.gz FQCZWBCECOUTTC-GFCCVEGCSA-N -1 0 400.338 4.033 20 0 HIADRM Cc1ccc(O[C@@H](C)C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)c(Br)c1 ZINC000237607364 854061554 /nfs/dbraw/zinc/06/15/54/854061554.db2.gz JIXSGVOMJSNWRJ-WMLDXEAASA-N -1 0 420.303 4.165 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000237611901 854061758 /nfs/dbraw/zinc/06/17/58/854061758.db2.gz JQYONEIGBDHJQE-DJJJIMSYSA-N -1 0 416.524 4.215 20 0 HIADRM Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000237617073 854062941 /nfs/dbraw/zinc/06/29/41/854062941.db2.gz QZIAYRSRCOUNSH-KRWDZBQOSA-N -1 0 415.490 4.155 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)C1CCCCC1 ZINC000237617631 854064124 /nfs/dbraw/zinc/06/41/24/854064124.db2.gz MWZPXQHNBUTPSF-XMMPIXPASA-N -1 0 420.513 4.320 20 0 HIADRM Cc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000237630370 854064865 /nfs/dbraw/zinc/06/48/65/854064865.db2.gz KJEGHLCNCAXCBP-UHFFFAOYSA-N -1 0 406.413 4.266 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccccc1 ZINC000237628475 854065058 /nfs/dbraw/zinc/06/50/58/854065058.db2.gz LRDCLXUNPIYYJA-BTDLBPIBSA-N -1 0 419.250 4.261 20 0 HIADRM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)C2)c1 ZINC000237628544 854065135 /nfs/dbraw/zinc/06/51/35/854065135.db2.gz PHRZDEFQKYSIHD-OAHLLOKOSA-N -1 0 414.889 4.146 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CSc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000237644347 854066968 /nfs/dbraw/zinc/06/69/68/854066968.db2.gz JSLKYBYLPNENRF-QMMMGPOBSA-N -1 0 405.328 4.426 20 0 HIADRM Cc1cc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237640020 854067029 /nfs/dbraw/zinc/06/70/29/854067029.db2.gz UHTTWOMUUHGVBD-AVRDEDQJSA-N -1 0 404.510 4.388 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237643635 854067057 /nfs/dbraw/zinc/06/70/57/854067057.db2.gz BWJASNWKMWATFH-AWEZNQCLSA-N -1 0 422.934 4.401 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3CC(=O)[O-])cc12 ZINC000237646911 854067685 /nfs/dbraw/zinc/06/76/85/854067685.db2.gz YXUJOXNREJRDFS-UHFFFAOYSA-N -1 0 409.442 4.414 20 0 HIADRM Cc1cc(F)ccc1-c1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1F ZINC000237651798 854068683 /nfs/dbraw/zinc/06/86/83/854068683.db2.gz DSFNRODXPAIANB-UHFFFAOYSA-N -1 0 424.403 4.007 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc12 ZINC000237653737 854068915 /nfs/dbraw/zinc/06/89/15/854068915.db2.gz FPBPDDFQXPYDCD-OAHLLOKOSA-N -1 0 403.891 4.128 20 0 HIADRM Cc1ccc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)cc1C(=O)[O-] ZINC000237664877 854071031 /nfs/dbraw/zinc/07/10/31/854071031.db2.gz ZRKVWHJQPDXOAE-UHFFFAOYSA-N -1 0 400.519 4.277 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)s1 ZINC000237662302 854071233 /nfs/dbraw/zinc/07/12/33/854071233.db2.gz HWJRGBIMDMZBAF-LBPRGKRZSA-N -1 0 415.540 4.310 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000237668109 854071846 /nfs/dbraw/zinc/07/18/46/854071846.db2.gz DBADTRCQEALKBV-SFHVURJKSA-N -1 0 408.479 4.255 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000237666002 854071923 /nfs/dbraw/zinc/07/19/23/854071923.db2.gz YYLSITKIBCDHFO-INIZCTEOSA-N -1 0 401.260 4.185 20 0 HIADRM Cc1cccc(C[C@@H](CNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C(=O)[O-])c1 ZINC000237681454 854074413 /nfs/dbraw/zinc/07/44/13/854074413.db2.gz PABPKYUZNCOOIF-NRFANRHFSA-N -1 0 422.525 4.187 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)CCC(=O)[O-])cc12 ZINC000237696019 854077869 /nfs/dbraw/zinc/07/78/69/854077869.db2.gz VLOMXWSIIYUQJK-UHFFFAOYSA-N -1 0 419.934 4.481 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(C)c1 ZINC000237707468 854079720 /nfs/dbraw/zinc/07/97/20/854079720.db2.gz UAZOYXXVKMOYBY-DEOSSOPVSA-N -1 0 403.482 4.093 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000237705378 854079839 /nfs/dbraw/zinc/07/98/39/854079839.db2.gz BOOBCYSGRIUEFW-UHFFFAOYSA-N -1 0 403.482 4.093 20 0 HIADRM Cn1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1-c1ccccc1Br ZINC000237711204 854080828 /nfs/dbraw/zinc/08/08/28/854080828.db2.gz AFHROZZRIJIJNB-CQSZACIVSA-N -1 0 419.319 4.314 20 0 HIADRM Cc1nc(CCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)oc1-c1ccccc1 ZINC000237712299 854081019 /nfs/dbraw/zinc/08/10/19/854081019.db2.gz XPZBXGWJAAZQLF-UHFFFAOYSA-N -1 0 418.493 4.228 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CC[C@@H](c4ccccc4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000237730665 854084593 /nfs/dbraw/zinc/08/45/93/854084593.db2.gz GRMLALGVSHKWMZ-OAQYLSRUSA-N -1 0 417.509 4.136 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCC4(C3)CCCCC4)cc2)c(C)c1CCC(=O)[O-] ZINC000237729369 854084744 /nfs/dbraw/zinc/08/47/44/854084744.db2.gz BYKNMYIYNPDXML-UHFFFAOYSA-N -1 0 409.530 4.303 20 0 HIADRM Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237727811 854084941 /nfs/dbraw/zinc/08/49/41/854084941.db2.gz RIGQXNJPDRNJJY-HNNXBMFYSA-N -1 0 411.508 4.087 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237733508 854085840 /nfs/dbraw/zinc/08/58/40/854085840.db2.gz YLKPTTKUWJZGJS-UHFFFAOYSA-N -1 0 413.861 4.330 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccc1 ZINC000237735938 854085989 /nfs/dbraw/zinc/08/59/89/854085989.db2.gz XBARBMNCIXEZKP-KUHUBIRLSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1cccc2c(CCC(=O)N(CCC(=O)[O-])Cc3ccc(F)c(F)c3)c[nH]c21 ZINC000237759926 854090721 /nfs/dbraw/zinc/09/07/21/854090721.db2.gz TXNZGGIGTCUWET-UHFFFAOYSA-N -1 0 400.425 4.191 20 0 HIADRM Cc1nc(COc2cccc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)c2)cs1 ZINC000237764535 854091797 /nfs/dbraw/zinc/09/17/97/854091797.db2.gz NCKDFUBUCBRXRF-HXUWFJFHSA-N -1 0 410.495 4.285 20 0 HIADRM Cc1ccc(-n2ncc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c2C2CC2)cc1Cl ZINC000237782122 854095722 /nfs/dbraw/zinc/09/57/22/854095722.db2.gz IEQSJUSEFBIYQA-OAHLLOKOSA-N -1 0 415.921 4.429 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000237803928 854099726 /nfs/dbraw/zinc/09/97/26/854099726.db2.gz WYIOBUDPKGELSL-GOSISDBHSA-N -1 0 417.387 4.064 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)CC(C)(C)C)C(=O)[O-] ZINC000237802113 854099748 /nfs/dbraw/zinc/09/97/48/854099748.db2.gz PDGSCYPWTGNKGH-QGZVFWFLSA-N -1 0 411.424 4.186 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)C[C@@H]1C=CCC1)C(=O)[O-] ZINC000237805604 854100876 /nfs/dbraw/zinc/10/08/76/854100876.db2.gz ZNOLEORJARTLDZ-KUHUBIRLSA-N -1 0 421.419 4.106 20 0 HIADRM 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ZINC000237844315 854106310 /nfs/dbraw/zinc/10/63/10/854106310.db2.gz GXFDIVHBAUUFSF-CYBMUJFWSA-N -1 0 408.401 4.049 20 0 HIADRM Cc1ccc(C(=O)CCC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1C ZINC000237841776 854106477 /nfs/dbraw/zinc/10/64/77/854106477.db2.gz ZJMDINOVKJOGPQ-UHFFFAOYSA-N -1 0 404.466 4.031 20 0 HIADRM Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000237842889 854106494 /nfs/dbraw/zinc/10/64/94/854106494.db2.gz QYDZFHCMTWAORJ-UHFFFAOYSA-N -1 0 423.538 4.378 20 0 HIADRM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc1NC(=O)c1ccccc1F ZINC000237841530 854106554 /nfs/dbraw/zinc/10/65/54/854106554.db2.gz LVFNBJSSGKYOAF-UHFFFAOYSA-N -1 0 420.440 4.113 20 0 HIADRM Cc1c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000237841345 854106587 /nfs/dbraw/zinc/10/65/87/854106587.db2.gz GYRBNBWCCKDLEM-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237840951 854106616 /nfs/dbraw/zinc/10/66/16/854106616.db2.gz 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O=C([O-])C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(Cl)c(F)c1 ZINC000237924452 854120110 /nfs/dbraw/zinc/12/01/10/854120110.db2.gz AOOZGXXKRNMRBF-HNNXBMFYSA-N -1 0 406.866 4.354 20 0 HIADRM Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)cc1C(=O)[O-] ZINC000237933647 854121671 /nfs/dbraw/zinc/12/16/71/854121671.db2.gz CCEPGTPIJYGYOG-QMMLZNLJSA-N -1 0 406.482 4.105 20 0 HIADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1ccc(Br)cc1 ZINC000237937448 854121774 /nfs/dbraw/zinc/12/17/74/854121774.db2.gz ATJDSWKOTUEPKS-PBHICJAKSA-N -1 0 418.287 4.038 20 0 HIADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000237940655 854122731 /nfs/dbraw/zinc/12/27/31/854122731.db2.gz DCKIJHVLJYZUDT-RTBURBONSA-N -1 0 416.315 4.446 20 0 HIADRM O=C([O-])C[C@H](NC(=O)Cc1ccccc1Br)c1ccc(Cl)c(F)c1 ZINC000237942671 854122826 /nfs/dbraw/zinc/12/28/26/854122826.db2.gz PYCPXDBOAVJTKK-HNNXBMFYSA-N -1 0 414.658 4.116 20 0 HIADRM O=C([O-])C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000237940148 854122831 /nfs/dbraw/zinc/12/28/31/854122831.db2.gz MBIBNWSSLIXSDT-HNNXBMFYSA-N -1 0 401.768 4.113 20 0 HIADRM O=C([O-])C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 ZINC000237941757 854122833 /nfs/dbraw/zinc/12/28/33/854122833.db2.gz QGLWZHMHKBAQAM-HNNXBMFYSA-N -1 0 401.768 4.113 20 0 HIADRM O=C([O-])C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1cccc(Br)c1 ZINC000237945968 854123427 /nfs/dbraw/zinc/12/34/27/854123427.db2.gz FCPSGCHSZJRDQC-IBGZPJMESA-N -1 0 412.283 4.477 20 0 HIADRM Cc1csc(-c2cccc(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c2)n1 ZINC000237950435 854123549 /nfs/dbraw/zinc/12/35/49/854123549.db2.gz QHLRNUSXZKVOJK-UHFFFAOYSA-N -1 0 406.507 4.377 20 0 HIADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000237954108 854124429 /nfs/dbraw/zinc/12/44/29/854124429.db2.gz LMBGSHLDAIWOKV-UHFFFAOYSA-N -1 0 411.889 4.092 20 0 HIADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000237955362 854124441 /nfs/dbraw/zinc/12/44/41/854124441.db2.gz NOBBJQBRDHAFFS-UNEWFSDZSA-N -1 0 424.241 4.163 20 0 HIADRM O=C([O-])CC[C@@H]1CCCN(C(=O)C2(c3cccc(Br)c3)CCCC2)C1 ZINC000237955336 854124584 /nfs/dbraw/zinc/12/45/84/854124584.db2.gz PUFJWQUZYKYIIN-HNNXBMFYSA-N -1 0 408.336 4.364 20 0 HIADRM O=C([O-])c1cnn(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)c1C(F)(F)F ZINC000237958734 854125236 /nfs/dbraw/zinc/12/52/36/854125236.db2.gz WSVOKHULKVNTPY-UHFFFAOYSA-N -1 0 423.778 4.424 20 0 HIADRM O=C([O-])C1(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CCCCC1 ZINC000237976717 854127570 /nfs/dbraw/zinc/12/75/70/854127570.db2.gz RIMYYNNUIVDDEX-UHFFFAOYSA-N -1 0 408.376 4.410 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000237978014 854128569 /nfs/dbraw/zinc/12/85/69/854128569.db2.gz QXSHAXUAGYQJJE-AWEZNQCLSA-N -1 0 405.731 4.324 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(Br)cc1 ZINC000237977875 854128593 /nfs/dbraw/zinc/12/85/93/854128593.db2.gz BJQRXCKKKSPEIN-AWEZNQCLSA-N -1 0 400.631 4.187 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1ccccc1Br)c1ccc(Cl)c(F)c1 ZINC000237990299 854129421 /nfs/dbraw/zinc/12/94/21/854129421.db2.gz BBQFIFKRNQEFCP-AWEZNQCLSA-N -1 0 400.631 4.187 20 0 HIADRM O=C([O-])COc1ccc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)cc1Cl ZINC000237999893 854130469 /nfs/dbraw/zinc/13/04/69/854130469.db2.gz XLZYKIAERUKXED-UHFFFAOYSA-N -1 0 421.236 4.293 20 0 HIADRM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000238002263 854131726 /nfs/dbraw/zinc/13/17/26/854131726.db2.gz AHQKKVFYJJZDLZ-UHFFFAOYSA-N -1 0 421.415 4.163 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1cc2cc(F)ccc2o1)c1ccc(OC(F)(F)F)cc1 ZINC000238001957 854131882 /nfs/dbraw/zinc/13/18/82/854131882.db2.gz TWRQGYUQHHOPMX-AWEZNQCLSA-N -1 0 411.307 4.416 20 0 HIADRM O=C([O-])CCCOc1ccc(NC(=O)CCc2ccccc2Br)cc1 ZINC000238001301 854131891 /nfs/dbraw/zinc/13/18/91/854131891.db2.gz BABHFLOCLQYRRA-UHFFFAOYSA-N -1 0 406.276 4.264 20 0 HIADRM O=C([O-])COc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1Cl ZINC000238009235 854132842 /nfs/dbraw/zinc/13/28/42/854132842.db2.gz FWFXGANNZXUGCV-UHFFFAOYSA-N -1 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406.504 4.129 20 0 HIADRM COCCc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cc3cccc(C)c3)s2)cc1 ZINC000409540705 855533082 /nfs/dbraw/zinc/53/30/82/855533082.db2.gz HRGSNMZUSCNKCL-UHFFFAOYSA-N -1 0 416.568 4.340 20 0 HIADRM COc1ccccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000409574186 855547656 /nfs/dbraw/zinc/54/76/56/855547656.db2.gz MJLOWQOJKQSOCM-OAHLLOKOSA-N -1 0 400.525 4.225 20 0 HIADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000409577170 855549538 /nfs/dbraw/zinc/54/95/38/855549538.db2.gz YXRCLDFWSUWOHN-QGZVFWFLSA-N -1 0 412.536 4.419 20 0 HIADRM O=S(=O)([N-]c1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000409584744 855552920 /nfs/dbraw/zinc/55/29/20/855552920.db2.gz LPQZICJGADLQTI-UHFFFAOYSA-N -1 0 415.824 4.404 20 0 HIADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2Br)c(C)c1 ZINC000409588414 855554618 /nfs/dbraw/zinc/55/46/18/855554618.db2.gz ZCCXBQWYENWSJS-UHFFFAOYSA-N -1 0 420.332 4.112 20 0 HIADRM O=S(=O)([N-]c1ccnn1Cc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000409598332 855558937 /nfs/dbraw/zinc/55/89/37/855558937.db2.gz YBJBAEUOZYYSSZ-UHFFFAOYSA-N -1 0 400.262 4.178 20 0 HIADRM O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1ccc(Br)s1 ZINC000409627210 855571795 /nfs/dbraw/zinc/57/17/95/855571795.db2.gz KLOHKIYVBRZBPC-UHFFFAOYSA-N -1 0 411.274 4.199 20 0 HIADRM O=S(=O)([N-]c1nc2cc(F)c(F)cc2s1)c1cccc(Br)c1 ZINC000409629037 855572605 /nfs/dbraw/zinc/57/26/05/855572605.db2.gz XWGRXUWEYCMVDN-UHFFFAOYSA-N -1 0 405.245 4.138 20 0 HIADRM CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccccc3OC(F)F)sc2C1 ZINC000409662300 855590840 /nfs/dbraw/zinc/59/08/40/855590840.db2.gz APVNHRHCDFLECS-LLVKDONJSA-N -1 0 402.488 4.450 20 0 HIADRM Cc1ccsc1-c1nc(=NC(=O)c2ccc3c(c2)nc(C(F)F)n3C)s[n-]1 ZINC000409937155 855734274 /nfs/dbraw/zinc/73/42/74/855734274.db2.gz ILMDTJXBQOGOOE-UHFFFAOYSA-N -1 0 405.455 4.074 20 0 HIADRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000437392507 862723676 /nfs/dbraw/zinc/72/36/76/862723676.db2.gz NYRFIFSGUCBGNR-UHFFFAOYSA-N -1 0 409.511 4.001 20 0 HIADRM C[C@@H](CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ccccc1 ZINC000410222515 855868424 /nfs/dbraw/zinc/86/84/24/855868424.db2.gz ZOKXGWJFWHZHEG-INIZCTEOSA-N -1 0 414.552 4.473 20 0 HIADRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc(-c4ccc5ncccc5c4)on3)c2O1 ZINC000410322675 855927598 /nfs/dbraw/zinc/92/75/98/855927598.db2.gz XKSXSRVXNRCFTP-UHFFFAOYSA-N -1 0 421.478 4.404 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cncnc3-c3ccccc3)c2)n1 ZINC000410331873 855933410 /nfs/dbraw/zinc/93/34/10/855933410.db2.gz BASUWTLFWOXBPJ-UHFFFAOYSA-N -1 0 408.508 4.376 20 0 HIADRM COc1ccc(Br)c(CS(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000410337757 855936371 /nfs/dbraw/zinc/93/63/71/855936371.db2.gz PQZBDPMTRMKYNE-UHFFFAOYSA-N -1 0 419.366 4.154 20 0 HIADRM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(Br)c2F)cc1Cl ZINC000410351831 855943784 /nfs/dbraw/zinc/94/37/84/855943784.db2.gz GCLRCLRIUZUIPI-UHFFFAOYSA-N -1 0 424.675 4.060 20 0 HIADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1csc(CCc2ccccc2)n1 ZINC000410359113 855948853 /nfs/dbraw/zinc/94/88/53/855948853.db2.gz JXWJKAGJMVNZPD-UHFFFAOYSA-N -1 0 406.536 4.045 20 0 HIADRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410367323 855955107 /nfs/dbraw/zinc/95/51/07/855955107.db2.gz QTQPLQVKELTKQQ-UHFFFAOYSA-N -1 0 415.284 4.128 20 0 HIADRM CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410371998 855957997 /nfs/dbraw/zinc/95/79/97/855957997.db2.gz MGTCMKQXUKNDBI-UHFFFAOYSA-N -1 0 421.675 4.001 20 0 HIADRM O=C(CCc1ccc(OC(F)(F)F)cc1)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000410375721 855959880 /nfs/dbraw/zinc/95/98/80/855959880.db2.gz PZZXMYIOPUCFTL-UHFFFAOYSA-N -1 0 407.417 4.021 20 0 HIADRM Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cccc(Br)c3F)c2)n1 ZINC000410382631 855964331 /nfs/dbraw/zinc/96/43/31/855964331.db2.gz MJJAXTPYBUFZOP-UHFFFAOYSA-N -1 0 422.279 4.154 20 0 HIADRM CCn1ncc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1C(F)(F)F ZINC000410403435 855978087 /nfs/dbraw/zinc/97/80/87/855978087.db2.gz CRXUAIRKBYGKFZ-UHFFFAOYSA-N -1 0 405.442 4.163 20 0 HIADRM CCn1ncc([N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)c1C(F)(F)F ZINC000410407322 855980395 /nfs/dbraw/zinc/98/03/95/855980395.db2.gz ORHKGYAZLKSKDG-UHFFFAOYSA-N -1 0 422.479 4.216 20 0 HIADRM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000410412267 855982243 /nfs/dbraw/zinc/98/22/43/855982243.db2.gz AHQJUCLQLOVULG-UHFFFAOYSA-N -1 0 424.295 4.098 20 0 HIADRM COc1ccc(OC)c([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000410423144 855990111 /nfs/dbraw/zinc/99/01/11/855990111.db2.gz BAYAWVLPKQJSDL-UHFFFAOYSA-N -1 0 410.904 4.282 20 0 HIADRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000410424338 855991382 /nfs/dbraw/zinc/99/13/82/855991382.db2.gz RODIVEHXKYNSOK-UHFFFAOYSA-N -1 0 404.904 4.449 20 0 HIADRM Cc1cnn([C@H]2CCCc3ccccc32)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000437399586 862745387 /nfs/dbraw/zinc/74/53/87/862745387.db2.gz YBFKPEGGTAMCPI-SFHVURJKSA-N -1 0 421.444 4.335 20 0 HIADRM CCOc1ccc(C(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000425998876 856037621 /nfs/dbraw/zinc/03/76/21/856037621.db2.gz LYYJVLMGRFKBBH-UHFFFAOYSA-N -1 0 422.934 4.166 20 0 HIADRM CCn1nc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)cc1C1CC1 ZINC000426007265 856043737 /nfs/dbraw/zinc/04/37/37/856043737.db2.gz JCWGNSLGDACSBN-UHFFFAOYSA-N -1 0 421.469 4.378 20 0 HIADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)c1 ZINC000437403674 862754237 /nfs/dbraw/zinc/75/42/37/862754237.db2.gz IBNRGMWHUPYMGE-UHFFFAOYSA-N -1 0 417.295 4.191 20 0 HIADRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)c1 ZINC000437405544 862759417 /nfs/dbraw/zinc/75/94/17/862759417.db2.gz LMGZJBYXVWLJFL-UHFFFAOYSA-N -1 0 417.295 4.191 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ncc1Br ZINC000426182473 856161351 /nfs/dbraw/zinc/16/13/51/856161351.db2.gz FNFKYODHVKMYCM-UHFFFAOYSA-N -1 0 413.190 4.111 20 0 HIADRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)n(-c2ncccn2)n1 ZINC000437408213 862765990 /nfs/dbraw/zinc/76/59/90/862765990.db2.gz UOFMCCNBKGOKQU-UHFFFAOYSA-N -1 0 413.547 4.058 20 0 HIADRM Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)CC(C)C)cc1Br ZINC000437411733 862773933 /nfs/dbraw/zinc/77/39/33/862773933.db2.gz OJEWPMFVFAPMPB-CYBMUJFWSA-N -1 0 400.342 4.362 20 0 HIADRM CCc1nc(CNCc2cc(Cl)ccc2OCc2cccnc2)ccc1C(=O)[O-] ZINC000426661313 856399103 /nfs/dbraw/zinc/39/91/03/856399103.db2.gz SXAUDVIQBBTDPC-UHFFFAOYSA-N -1 0 411.889 4.259 20 0 HIADRM Cc1cc(Br)cc(CNCc2ccc(C(=O)[O-])c(C)n2)c1OC(F)F ZINC000426662915 856400395 /nfs/dbraw/zinc/40/03/95/856400395.db2.gz IBIBWLGKLQAXGS-UHFFFAOYSA-N -1 0 415.234 4.050 20 0 HIADRM O=C([O-])[C@@H](CSCCc1ccccc1)NCc1cnc(-c2cccs2)s1 ZINC000426738766 856445468 /nfs/dbraw/zinc/44/54/68/856445468.db2.gz YTKYMVFCPUEDAR-MRXNPFEDSA-N -1 0 404.582 4.390 20 0 HIADRM COc1ccc(Br)cc1[C@H](NCc1cccc(Cl)c1F)C(=O)[O-] ZINC000426741616 856446858 /nfs/dbraw/zinc/44/68/58/856446858.db2.gz GDQTXQMXONIIRU-HNNXBMFYSA-N -1 0 402.647 4.166 20 0 HIADRM Cc1nc(COc2ccc(CN[C@@H](C(=O)[O-])c3c(F)cccc3F)cc2)cs1 ZINC000426749500 856453597 /nfs/dbraw/zinc/45/35/97/856453597.db2.gz GIZFWUHEZADDGD-LJQANCHMSA-N -1 0 404.438 4.224 20 0 HIADRM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1ncc(-c2ccccc2)s1 ZINC000426751074 856455040 /nfs/dbraw/zinc/45/50/40/856455040.db2.gz SKTINZBOXWSPIU-MRXNPFEDSA-N -1 0 417.328 4.358 20 0 HIADRM O=C([O-])[C@H](NCc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 ZINC000426797491 856484608 /nfs/dbraw/zinc/48/46/08/856484608.db2.gz FVLIRPVTKOYWIK-QGZVFWFLSA-N -1 0 403.301 4.488 20 0 HIADRM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cn(-c3ccc(F)cc3Cl)nn2)cc1 ZINC000426810140 856491357 /nfs/dbraw/zinc/49/13/57/856491357.db2.gz YEMGJCLLPYZPLD-LJQANCHMSA-N -1 0 416.884 4.489 20 0 HIADRM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(Br)c1O ZINC000426811076 856491511 /nfs/dbraw/zinc/49/15/11/856491511.db2.gz RTDWBFARLVDNBW-HNNXBMFYSA-N -1 0 414.683 4.041 20 0 HIADRM COc1ccc([C@H](NCc2cc(Cl)ccc2Br)C(=O)[O-])cc1F ZINC000426831270 856504565 /nfs/dbraw/zinc/50/45/65/856504565.db2.gz DOGHPZUJWFSBLC-HNNXBMFYSA-N -1 0 402.647 4.166 20 0 HIADRM COCc1nc(=N[C@@H](c2ccccc2)c2ccc(OC)c(Br)c2)s[n-]1 ZINC000426900367 856533747 /nfs/dbraw/zinc/53/37/47/856533747.db2.gz GLXPKDNJDVBVOP-KRWDZBQOSA-N -1 0 420.332 4.079 20 0 HIADRM O=S(=O)([N-]c1ccccc1OC(F)F)c1cccc(OC(F)(F)F)c1F ZINC000427115196 856647736 /nfs/dbraw/zinc/64/77/36/856647736.db2.gz AEHIWRTXCLINCI-UHFFFAOYSA-N -1 0 401.284 4.127 20 0 HIADRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000427154934 856674611 /nfs/dbraw/zinc/67/46/11/856674611.db2.gz JWERSEXEKRXJMM-HZPDHXFCSA-N -1 0 404.557 4.120 20 0 HIADRM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3OC[C@H]3CCCO3)cc2s1 ZINC000427206976 856713155 /nfs/dbraw/zinc/71/31/55/856713155.db2.gz SKNVYGZUIJLJCV-CQSZACIVSA-N -1 0 422.503 4.102 20 0 HIADRM Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC000427292911 856756307 /nfs/dbraw/zinc/75/63/07/856756307.db2.gz VXSKDUTXDFVFIL-UHFFFAOYSA-N -1 0 406.847 4.111 20 0 HIADRM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000427315787 856766692 /nfs/dbraw/zinc/76/66/92/856766692.db2.gz WGEYPHXIYWAVTN-HZPDHXFCSA-N -1 0 418.946 4.403 20 0 HIADRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000427321044 856769892 /nfs/dbraw/zinc/76/98/92/856769892.db2.gz OBIWXWIOYCQXCB-UHFFFAOYSA-N -1 0 417.303 4.120 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)nn1-c1ccccc1 ZINC000427328086 856774877 /nfs/dbraw/zinc/77/48/77/856774877.db2.gz BSEINDUEMPLURH-UHFFFAOYSA-N -1 0 415.368 4.019 20 0 HIADRM Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cccc1-c1ncco1 ZINC000427333711 856776655 /nfs/dbraw/zinc/77/66/55/856776655.db2.gz BMWZBBAHQCHNHS-UHFFFAOYSA-N -1 0 406.847 4.111 20 0 HIADRM COc1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3F)cc2)cc1 ZINC000427345443 856782845 /nfs/dbraw/zinc/78/28/45/856782845.db2.gz OHRPFVDQKLDICX-UHFFFAOYSA-N -1 0 417.414 4.126 20 0 HIADRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3ccncc3)c(C)c2)cc1OC ZINC000427624868 856891266 /nfs/dbraw/zinc/89/12/66/856891266.db2.gz WHEAXXLSENBSCG-UHFFFAOYSA-N -1 0 402.447 4.014 20 0 HIADRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc21 ZINC000427627666 856891568 /nfs/dbraw/zinc/89/15/68/856891568.db2.gz CALPXNGHNJGBII-UHFFFAOYSA-N -1 0 407.698 4.414 20 0 HIADRM CCOC(=O)c1csc([N-]S(=O)(=O)c2c(C)sc3ccc(Cl)cc32)n1 ZINC000427650402 856896978 /nfs/dbraw/zinc/89/69/78/856896978.db2.gz HDGURKUGYNXIPV-UHFFFAOYSA-N -1 0 416.933 4.297 20 0 HIADRM Cn1c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000427671722 856904590 /nfs/dbraw/zinc/90/45/90/856904590.db2.gz KECXYEJAIVXFOC-DLBZAZTESA-N -1 0 416.399 4.138 20 0 HIADRM COCc1cc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc(C(=O)[O-])c1 ZINC000427685424 856908702 /nfs/dbraw/zinc/90/87/02/856908702.db2.gz MZUVTJXVZBUXMI-UHFFFAOYSA-N -1 0 410.470 4.302 20 0 HIADRM COCc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)cc(C(=O)[O-])c1 ZINC000427691048 856910669 /nfs/dbraw/zinc/91/06/69/856910669.db2.gz WDUNWULYONFVHH-HOTGVXAUSA-N -1 0 409.360 4.172 20 0 HIADRM COCc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)cc(C(=O)[O-])c1 ZINC000427693025 856910689 /nfs/dbraw/zinc/91/06/89/856910689.db2.gz CBMJDNNMIIYASU-DLBZAZTESA-N -1 0 404.260 4.036 20 0 HIADRM C[C@H](CC(=O)[O-])NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000427704765 856916119 /nfs/dbraw/zinc/91/61/19/856916119.db2.gz KXFPRNSAGIYYOY-YFQQBGLZSA-N -1 0 415.374 4.088 20 0 HIADRM C[C@@H](CC(=O)[O-])NC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC000427704763 856916235 /nfs/dbraw/zinc/91/62/35/856916235.db2.gz KXFPRNSAGIYYOY-JAAIYPBVSA-N -1 0 415.374 4.088 20 0 HIADRM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000427710985 856917900 /nfs/dbraw/zinc/91/79/00/856917900.db2.gz RAMSDIOCRNUMAH-CADBVGFASA-N -1 0 403.400 4.136 20 0 HIADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccccc1 ZINC000427712485 856919280 /nfs/dbraw/zinc/91/92/80/856919280.db2.gz CXAMQAOCFWRIQJ-ZSYWTGECSA-N -1 0 404.293 4.424 20 0 HIADRM COc1cccc(Nc2ccccc2C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000427713687 856920350 /nfs/dbraw/zinc/92/03/50/856920350.db2.gz IQJYPZKIRJWXCR-FCHUYYIVSA-N -1 0 416.477 4.379 20 0 HIADRM Cc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc(C)c1OCc1cccnc1 ZINC000427725878 856924155 /nfs/dbraw/zinc/92/41/55/856924155.db2.gz CSBIXVZHMKMMNF-UHFFFAOYSA-N -1 0 418.493 4.047 20 0 HIADRM C[C@@H](CC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000427751852 856938311 /nfs/dbraw/zinc/93/83/11/856938311.db2.gz IVADXXDKZTUHLI-UYHISHBKSA-N -1 0 407.844 4.439 20 0 HIADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1c1ccc(Cl)cc1 ZINC000427758413 856942295 /nfs/dbraw/zinc/94/22/95/856942295.db2.gz MRJJRUPVPFQRSD-LUYZLQTOSA-N -1 0 403.828 4.335 20 0 HIADRM CO[C@H](CNC(=O)c1ccc(CSc2cc(Cl)ccc2Cl)cc1)C(=O)[O-] ZINC000427771641 856948590 /nfs/dbraw/zinc/94/85/90/856948590.db2.gz RDWGJFYVUBKUEY-OAHLLOKOSA-N -1 0 414.310 4.115 20 0 HIADRM COc1ccc2nc(C)cc(C(=O)N3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)c2c1 ZINC000427778381 856950557 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858710951 /nfs/dbraw/zinc/71/09/51/858710951.db2.gz LGBVUUAIQBYTIR-UHFFFAOYSA-N -1 0 403.510 4.053 20 0 HIADRM Cc1nc(C2CC2)oc1C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000431649972 858711933 /nfs/dbraw/zinc/71/19/33/858711933.db2.gz RRXNZRXFRZFOLN-UHFFFAOYSA-N -1 0 420.347 4.015 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccccc1 ZINC000431653124 858715063 /nfs/dbraw/zinc/71/50/63/858715063.db2.gz IMDFSKMXMZBWPX-FZKQIMNGSA-N -1 0 400.450 4.002 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)c1ccccc1 ZINC000431653125 858715695 /nfs/dbraw/zinc/71/56/95/858715695.db2.gz IMDFSKMXMZBWPX-SCLBCKFNSA-N -1 0 400.450 4.002 20 0 HIADRM Cc1oc(CN(C)C(=O)c2ccoc2CN2c3ccccc3C[C@@H]2C)cc1C(=O)[O-] ZINC000431656415 858716670 /nfs/dbraw/zinc/71/66/70/858716670.db2.gz YFRZTGHKHIWAGO-AWEZNQCLSA-N -1 0 408.454 4.103 20 0 HIADRM Cc1cc(Br)ccc1CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000431658445 858719609 /nfs/dbraw/zinc/71/96/09/858719609.db2.gz 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CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nc(C(=O)OC)c[nH]3)ccc21 ZINC000432654646 859276131 /nfs/dbraw/zinc/27/61/31/859276131.db2.gz HLAMLIFOSYHHSA-CYBMUJFWSA-N -1 0 422.510 4.443 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(F)c2)cc1 ZINC000432733705 859325763 /nfs/dbraw/zinc/32/57/63/859325763.db2.gz IWDDEQBYYONJSY-UHFFFAOYSA-N -1 0 414.458 4.196 20 0 HIADRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000432746193 859332481 /nfs/dbraw/zinc/33/24/81/859332481.db2.gz YQSYZDKHQHJOEV-UHFFFAOYSA-N -1 0 403.729 4.278 20 0 HIADRM CSc1ccccc1[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000432748411 859333483 /nfs/dbraw/zinc/33/34/83/859333483.db2.gz SVYVUDPVWXVQQP-UHFFFAOYSA-N -1 0 401.351 4.038 20 0 HIADRM COC(=O)c1nc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)sc1C1CC1 ZINC000432950139 859444031 /nfs/dbraw/zinc/44/40/31/859444031.db2.gz NZORRJXOWIBHNZ-UHFFFAOYSA-N -1 0 424.544 4.048 20 0 HIADRM CN1c2ccc(S(=O)(=O)[N-]c3cc(C4(C)CCCC4)on3)c3cccc(c23)C1=O ZINC000432963463 859452163 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414.449 4.033 20 0 HIADRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC000433174019 859554447 /nfs/dbraw/zinc/55/44/47/859554447.db2.gz LZGPXLXJLBMVLC-UHFFFAOYSA-N -1 0 408.888 4.051 20 0 HIADRM CCC[C@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000467654933 881449249 /nfs/dbraw/zinc/44/92/49/881449249.db2.gz CBHZKNRPVIJEKI-KRWDZBQOSA-N -1 0 416.543 4.148 20 0 HIADRM COc1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1NC(C)=O ZINC000433499121 859737072 /nfs/dbraw/zinc/73/70/72/859737072.db2.gz BRQXYWIYDZWANZ-UHFFFAOYSA-N -1 0 410.904 4.323 20 0 HIADRM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2OC)cc1Cl ZINC000433528683 859758449 /nfs/dbraw/zinc/75/84/49/859758449.db2.gz DZJNPDUEMPCYAL-UHFFFAOYSA-N -1 0 424.675 4.060 20 0 HIADRM O=C1CCCc2ccc([N-]S(=O)(=O)c3cc(Br)sc3Cl)cc21 ZINC000433598090 859803145 /nfs/dbraw/zinc/80/31/45/859803145.db2.gz CJAZAQIQNCARJJ-UHFFFAOYSA-N -1 0 420.737 4.484 20 0 HIADRM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000433805904 859902882 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CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@]4(C3)OCc3ccccc34)n2)c1 ZINC000501309392 910461237 /nfs/dbraw/zinc/46/12/37/910461237.db2.gz KTOLOYBFAIWCBD-RUZDIDTESA-N -1 0 417.509 4.363 20 0 HIADRM O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000501979697 910961739 /nfs/dbraw/zinc/96/17/39/910961739.db2.gz PZCWFGWHWASTOU-UHFFFAOYSA-N -1 0 409.269 4.381 20 0 HIADRM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000501989617 910965540 /nfs/dbraw/zinc/96/55/40/910965540.db2.gz HHYBCKJAFUUNDF-LBPRGKRZSA-N -1 0 402.322 4.105 20 0 HIADRM O=C(NC[C@H]1CCCC(F)(F)C1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000502044435 910998028 /nfs/dbraw/zinc/99/80/28/910998028.db2.gz GZRKMEFKPOZVBE-ZDUSSCGKSA-N -1 0 414.499 4.104 20 0 HIADRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccnc2Nc2ccc(C)cc2)ccc1C ZINC000502468818 911460724 /nfs/dbraw/zinc/46/07/24/911460724.db2.gz MPWZWXBLFBTBCZ-UHFFFAOYSA-N -1 0 410.499 4.201 20 0 HIADRM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000502499667 911505413 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O=C([O-])CC1(CC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCCC1 ZINC000507700942 916484426 /nfs/dbraw/zinc/48/44/26/916484426.db2.gz YPVCWDHULLKHGA-OAHLLOKOSA-N -1 0 410.308 4.204 20 0 HIADRM CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3ccc(-n4nn[n-]c4=O)cc3)o2)cc1 ZINC000507854454 916678486 /nfs/dbraw/zinc/67/84/86/916678486.db2.gz FUODXUFHJIJHCE-UHFFFAOYSA-N -1 0 403.442 4.178 20 0 HIADRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507887698 916734347 /nfs/dbraw/zinc/73/43/47/916734347.db2.gz KYIVCIIZHFNMKQ-HNNXBMFYSA-N -1 0 402.520 4.028 20 0 HIADRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000507893635 916749804 /nfs/dbraw/zinc/74/98/04/916749804.db2.gz YZVHZOIBAKOJQP-LLVKDONJSA-N -1 0 413.396 4.158 20 0 HIADRM Cc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)nn1-c1cccc(Cl)c1 ZINC000507920112 916800303 /nfs/dbraw/zinc/80/03/03/916800303.db2.gz MEIIBCSXBOFNFZ-UHFFFAOYSA-N -1 0 408.911 4.062 20 0 HIADRM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(C(C)=O)c(C)c1 ZINC000507940052 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HIADRM O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000546858753 940896746 /nfs/dbraw/zinc/89/67/46/940896746.db2.gz HARDXENBJIIYEU-UHFFFAOYSA-N -1 0 424.309 4.469 20 0 HIADRM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000546859186 940896902 /nfs/dbraw/zinc/89/69/02/940896902.db2.gz DZAKDIAMWHBKAU-UHFFFAOYSA-N -1 0 423.288 4.277 20 0 HIADRM COc1cc(Br)cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c1 ZINC000546887378 940901796 /nfs/dbraw/zinc/90/17/96/940901796.db2.gz RRVMWTVFJMZILL-UHFFFAOYSA-N -1 0 405.339 4.013 20 0 HIADRM O=S(=O)([N-]c1ccc(Cc2nc(-c3cccs3)no2)cc1)c1cccs1 ZINC000546965165 940930417 /nfs/dbraw/zinc/93/04/17/940930417.db2.gz USOJUAHUFLWNQL-UHFFFAOYSA-N -1 0 403.510 4.251 20 0 HIADRM C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000546971271 940931593 /nfs/dbraw/zinc/93/15/93/940931593.db2.gz FCGTZEUPNLMVIF-ZBEGNZNMSA-N -1 0 409.891 4.108 20 0 HIADRM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000564059563 945366996 /nfs/dbraw/zinc/36/69/96/945366996.db2.gz MNFZEWQRMSIGRT-UHFFFAOYSA-N -1 0 424.404 4.137 20 0 HIADRM CCC1(CNC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCCCC1 ZINC000547270233 941049130 /nfs/dbraw/zinc/04/91/30/941049130.db2.gz OZWRYEPINSDDJQ-UHFFFAOYSA-N -1 0 407.561 4.034 20 0 HIADRM CCOc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc(Cl)c1O ZINC000547287734 941052616 /nfs/dbraw/zinc/05/26/16/941052616.db2.gz NUPFLBSLWRBXMT-UHFFFAOYSA-N -1 0 411.845 4.344 20 0 HIADRM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000547317998 941056092 /nfs/dbraw/zinc/05/60/92/941056092.db2.gz CJKLDJPRQPIMBQ-INIZCTEOSA-N -1 0 404.580 4.242 20 0 HIADRM O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000547323531 941056225 /nfs/dbraw/zinc/05/62/25/941056225.db2.gz CIGYZPPATBHQNA-UHFFFAOYSA-N -1 0 424.309 4.469 20 0 HIADRM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000547555220 941068383 /nfs/dbraw/zinc/06/83/83/941068383.db2.gz GTJSVWKDGSJSKG-UHFFFAOYSA-N -1 0 403.500 4.219 20 0 HIADRM O=C([O-])CCCN(Cc1cccc(F)c1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547590902 941068508 /nfs/dbraw/zinc/06/85/08/941068508.db2.gz RCRJGWJERUZEIU-UHFFFAOYSA-N -1 0 420.289 4.188 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000547590223 941068514 /nfs/dbraw/zinc/06/85/14/941068514.db2.gz LTIZQUCYOKMZHR-BONVTDFDSA-N -1 0 421.824 4.099 20 0 HIADRM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000547614785 941068770 /nfs/dbraw/zinc/06/87/70/941068770.db2.gz HUTHGTPKSWITSL-UHFFFAOYSA-N -1 0 402.299 4.298 20 0 HIADRM O=C([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1F ZINC000547612586 941068778 /nfs/dbraw/zinc/06/87/78/941068778.db2.gz LZFLEBFLKYFFST-UHFFFAOYSA-N -1 0 415.723 4.136 20 0 HIADRM O=C([O-])C[C@H](NS(=O)(=O)c1cc2ccccc2o1)c1cc(Cl)cc(Cl)c1 ZINC000547613993 941068811 /nfs/dbraw/zinc/06/88/11/941068811.db2.gz DDMLUOULEQOIMJ-AWEZNQCLSA-N -1 0 414.266 4.234 20 0 HIADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000547627751 941069389 /nfs/dbraw/zinc/06/93/89/941069389.db2.gz QZTOZQFBNDXDDD-UHFFFAOYSA-N -1 0 405.479 4.318 20 0 HIADRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000547631360 941069462 /nfs/dbraw/zinc/06/94/62/941069462.db2.gz HITWQYHKUBNOIW-UHFFFAOYSA-N -1 0 412.511 4.149 20 0 HIADRM O=C([O-])c1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000547699530 941072425 /nfs/dbraw/zinc/07/24/25/941072425.db2.gz VUOLFRZNCAPIKP-NSHDSACASA-N -1 0 406.312 4.279 20 0 HIADRM COc1ccc(C(=O)CC(C)(C)CC(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000547746568 941074256 /nfs/dbraw/zinc/07/42/56/941074256.db2.gz LVMIKJLRPOYPNB-UHFFFAOYSA-N -1 0 415.540 4.325 20 0 HIADRM CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br)C(F)(F)F ZINC000547818748 941077033 /nfs/dbraw/zinc/07/70/33/941077033.db2.gz FIHWHAXXGXVGAM-SNVBAGLBSA-N -1 0 412.630 4.251 20 0 HIADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CC2(CC2)c2ccccc21 ZINC000547821651 941077158 /nfs/dbraw/zinc/07/71/58/941077158.db2.gz IZTYEIIMLUVPLA-UHFFFAOYSA-N -1 0 422.481 4.319 20 0 HIADRM Cc1cc(C)cc(N(CCC(=O)[O-])S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000547873070 941079302 /nfs/dbraw/zinc/07/93/02/941079302.db2.gz RBKNCPCUHYTZNK-UHFFFAOYSA-N -1 0 402.299 4.280 20 0 HIADRM Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Br)cc1C(=O)[O-] ZINC000547874968 941079425 /nfs/dbraw/zinc/07/94/25/941079425.db2.gz QGFHXFJSUMSPJM-UHFFFAOYSA-N -1 0 418.696 4.051 20 0 HIADRM O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000547874136 941079476 /nfs/dbraw/zinc/07/94/76/941079476.db2.gz PDFCFXUVYCCHSQ-CQSZACIVSA-N -1 0 421.824 4.243 20 0 HIADRM Cc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000547898118 941079518 /nfs/dbraw/zinc/07/95/18/941079518.db2.gz KFXLRMNEVLCIAK-UHFFFAOYSA-N -1 0 421.824 4.337 20 0 HIADRM COc1ccc(Oc2ccc(S(=O)(=O)NCCC(C)(C)CCC(=O)[O-])cc2)cc1 ZINC000547932619 941079722 /nfs/dbraw/zinc/07/97/22/941079722.db2.gz GSVHSQZBWIVEBS-UHFFFAOYSA-N -1 0 421.515 4.047 20 0 HIADRM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000547936480 941079891 /nfs/dbraw/zinc/07/98/91/941079891.db2.gz IKVUNJJRFYGOAB-LBPRGKRZSA-N -1 0 401.406 4.226 20 0 HIADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N[C@H]1CCOc2ccc(F)cc21 ZINC000548080285 941085820 /nfs/dbraw/zinc/08/58/20/941085820.db2.gz HIPKQHOWWOEQJO-AWEZNQCLSA-N -1 0 404.854 4.065 20 0 HIADRM CC(C)Oc1cccc([C@@H](C)NC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000548180268 941091070 /nfs/dbraw/zinc/09/10/70/941091070.db2.gz CMYYPAKRGFZSQB-CYBMUJFWSA-N -1 0 400.504 4.087 20 0 HIADRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc2S1 ZINC000548222161 941092127 /nfs/dbraw/zinc/09/21/27/941092127.db2.gz KMXDJFNIQLBWMK-SNVBAGLBSA-N -1 0 418.323 4.138 20 0 HIADRM CN([C@@H](C(=O)[O-])c1ccccc1Cl)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548232524 941092211 /nfs/dbraw/zinc/09/22/11/941092211.db2.gz QWUORPYPFATETR-CYBMUJFWSA-N -1 0 408.690 4.093 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)C2(C)CCCCC2)c1 ZINC000548375151 941098220 /nfs/dbraw/zinc/09/82/20/941098220.db2.gz SAEFFPTZIZAHRF-UHFFFAOYSA-N -1 0 418.515 4.111 20 0 HIADRM Cc1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000548534116 941112867 /nfs/dbraw/zinc/11/28/67/941112867.db2.gz HRMVAJLJJILHDF-AWEZNQCLSA-N -1 0 406.287 4.088 20 0 HIADRM CN([C@H](C(=O)[O-])c1ccccc1Cl)S(=O)(=O)c1cc(Cl)sc1Cl ZINC000548561778 941112913 /nfs/dbraw/zinc/11/29/13/941112913.db2.gz ZGNQLMAMZUZGBE-NSHDSACASA-N -1 0 414.719 4.155 20 0 HIADRM O=C([O-])CC[C@@H](NS(=O)(=O)CCCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000548536970 941113056 /nfs/dbraw/zinc/11/30/56/941113056.db2.gz CSVDZSOGQRWEIO-GFCCVEGCSA-N -1 0 422.252 4.161 20 0 HIADRM COc1ccc(Br)c(CS(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000548771311 941123231 /nfs/dbraw/zinc/12/32/31/941123231.db2.gz ULUINXBHMHQCJW-UHFFFAOYSA-N -1 0 413.318 4.009 20 0 HIADRM O=C(Nc1ccccc1OC(F)F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000548790090 941124070 /nfs/dbraw/zinc/12/40/70/941124070.db2.gz JOHJGHYHDJJFEZ-UHFFFAOYSA-N -1 0 409.186 4.144 20 0 HIADRM CN(CC(C)(C)C)C(=O)N[C@H](Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000548876665 941127685 /nfs/dbraw/zinc/12/76/85/941127685.db2.gz KCMMLADJMXCYSN-OAHLLOKOSA-N -1 0 409.939 4.147 20 0 HIADRM C[C@@H]1c2ccsc2CCN1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000549089037 941155758 /nfs/dbraw/zinc/15/57/58/941155758.db2.gz QEQKMEGDAIDXHS-LLVKDONJSA-N -1 0 407.417 4.418 20 0 HIADRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000549729125 941205848 /nfs/dbraw/zinc/20/58/48/941205848.db2.gz IPFGGTZTSVXEBS-UHFFFAOYSA-N -1 0 415.291 4.165 20 0 HIADRM CC(C)[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[n-]s1)c1ccc(C(C)(C)C)cc1 ZINC000549737196 941206035 /nfs/dbraw/zinc/20/60/35/941206035.db2.gz ZJODSLYHKQWKLE-INIZCTEOSA-N -1 0 416.591 4.007 20 0 HIADRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cccc(OCc4ccccn4)c3)n2)c1 ZINC000549769281 941206968 /nfs/dbraw/zinc/20/69/68/941206968.db2.gz PQWRFQNAARKLEX-UHFFFAOYSA-N -1 0 418.428 4.252 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)c3ccccc32)cc1 ZINC000549817786 941208366 /nfs/dbraw/zinc/20/83/66/941208366.db2.gz QPLPLNBAHYJLJN-INIZCTEOSA-N -1 0 422.506 4.260 20 0 HIADRM CCc1oc(C(=O)N2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)cc1C(=O)[O-] ZINC000549935136 941242383 /nfs/dbraw/zinc/24/23/83/941242383.db2.gz BVTYIWTYAFTSRY-INIZCTEOSA-N -1 0 416.232 4.200 20 0 HIADRM CCc1oc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1C(=O)[O-] ZINC000549935139 941242517 /nfs/dbraw/zinc/24/25/17/941242517.db2.gz BVTYIWTYAFTSRY-MRXNPFEDSA-N -1 0 416.232 4.200 20 0 HIADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC000550110830 941285634 /nfs/dbraw/zinc/28/56/34/941285634.db2.gz UOQFDFBDJNUIRE-LADGPHEKSA-N -1 0 417.553 4.420 20 0 HIADRM O=C(Nc1cccc(OCc2cscn2)c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550195659 941296921 /nfs/dbraw/zinc/29/69/21/941296921.db2.gz VYBDNCOWLCXGKY-UHFFFAOYSA-N -1 0 410.430 4.005 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@@H](C)c3ccccc32)cc1 ZINC000550215703 941299669 /nfs/dbraw/zinc/29/96/69/941299669.db2.gz KKVLDDRNKSPMNG-MRXNPFEDSA-N -1 0 422.506 4.260 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2C[C@H](C)c3ccccc32)cc1 ZINC000550215702 941299753 /nfs/dbraw/zinc/29/97/53/941299753.db2.gz KKVLDDRNKSPMNG-INIZCTEOSA-N -1 0 422.506 4.260 20 0 HIADRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000550437557 941327261 /nfs/dbraw/zinc/32/72/61/941327261.db2.gz NSDNAXOBIUCGPT-ZDUSSCGKSA-N -1 0 400.342 4.362 20 0 HIADRM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c(C(F)(F)F)c1 ZINC000550652388 941350252 /nfs/dbraw/zinc/35/02/52/941350252.db2.gz FPFNQSLSEJWUPD-UHFFFAOYSA-N -1 0 417.405 4.336 20 0 HIADRM O=S(=O)([N-]c1nsc(-c2ccccc2)n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000551019967 941396422 /nfs/dbraw/zinc/39/64/22/941396422.db2.gz VDTDLOPWXUAFFL-UHFFFAOYSA-N -1 0 403.382 4.164 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)n(-c2nc3ccccc3s2)n1 ZINC000551049909 941400865 /nfs/dbraw/zinc/40/08/65/941400865.db2.gz LNDKPVUJTFIQOO-UHFFFAOYSA-N -1 0 402.476 4.039 20 0 HIADRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000551049701 941400874 /nfs/dbraw/zinc/40/08/74/941400874.db2.gz SKLJXPXQTMBLDV-IYBDPMFKSA-N -1 0 417.506 4.055 20 0 HIADRM C[C@H]1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c2ccc(F)cc2O1 ZINC000551084174 941406236 /nfs/dbraw/zinc/40/62/36/941406236.db2.gz OZTJIHYDYHCETJ-NSHDSACASA-N -1 0 421.350 4.164 20 0 HIADRM Cn1ccc2ccc([N-]S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2c1=O ZINC000551114096 941412590 /nfs/dbraw/zinc/41/25/90/941412590.db2.gz KJAKCSFSBUYHTR-UHFFFAOYSA-N -1 0 417.701 4.300 20 0 HIADRM CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000551263055 941438706 /nfs/dbraw/zinc/43/87/06/941438706.db2.gz FURKMMALOCLIMB-ZDUSSCGKSA-N -1 0 406.433 4.248 20 0 HIADRM CC(C)N1CCc2nc([N-]S(=O)(=O)c3ccc(Cl)c(F)c3Cl)sc2C1 ZINC000551386004 941466290 /nfs/dbraw/zinc/46/62/90/941466290.db2.gz GHCMYKPDFGFAMC-UHFFFAOYSA-N -1 0 424.350 4.156 20 0 HIADRM O=S(=O)([N-]c1nsc(-c2ccccc2)n1)c1c(Cl)cc(F)cc1Cl ZINC000551386402 941466335 /nfs/dbraw/zinc/46/63/35/941466335.db2.gz LZSGBSSSFFBBTA-UHFFFAOYSA-N -1 0 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ZINC000236969895 853944325 /nfs/dbraw/zinc/94/43/25/853944325.db2.gz AIVXTMIVFKXFTC-PRXAMGSTSA-N -1 0 410.923 4.232 20 0 HIADRM CCC[C@@](C)(NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)[O-] ZINC000236985328 853947243 /nfs/dbraw/zinc/94/72/43/853947243.db2.gz SQRZGFIUAGCIIZ-LJQANCHMSA-N -1 0 408.907 4.335 20 0 HIADRM CCC[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000236997997 853949116 /nfs/dbraw/zinc/94/91/16/853949116.db2.gz OHKDSQRIAJVYEK-APPDUMDISA-N -1 0 411.424 4.186 20 0 HIADRM CCC[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236996295 853949261 /nfs/dbraw/zinc/94/92/61/853949261.db2.gz QAIMKCYDDQBLBS-LEWJYISDSA-N -1 0 408.498 4.288 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCSc1ccc(Br)cc1 ZINC000237023811 853952601 /nfs/dbraw/zinc/95/26/01/853952601.db2.gz UAPRLADZTCIIEX-UHFFFAOYSA-N -1 0 408.317 4.288 20 0 HIADRM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237040627 853955784 /nfs/dbraw/zinc/95/57/84/853955784.db2.gz 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COc1ccccc1C[C@@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000237215905 853984541 /nfs/dbraw/zinc/98/45/41/853984541.db2.gz RSLFXAOXXLOSDH-HOCLYGCPSA-N -1 0 423.431 4.267 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)CCc2cccc3ccccc32)cc1 ZINC000237217872 853985736 /nfs/dbraw/zinc/98/57/36/853985736.db2.gz RWTIWERQGOZHLO-UHFFFAOYSA-N -1 0 413.477 4.347 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1oc2c(cccc2Cl)c1C)C(=O)[O-] ZINC000237241138 853988933 /nfs/dbraw/zinc/98/89/33/853988933.db2.gz KMFCIJTZADQQMW-AWEZNQCLSA-N -1 0 401.846 4.077 20 0 HIADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237249430 853990806 /nfs/dbraw/zinc/99/08/06/853990806.db2.gz OWFXBOHUYWEBNI-DYVFJYSZSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000237272076 853995310 /nfs/dbraw/zinc/99/53/10/853995310.db2.gz FMVLQTRYPCXFSZ-QIJUGHKUSA-N -1 0 403.478 4.012 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)sc1C(=O)[O-] ZINC000237330717 854007609 /nfs/dbraw/zinc/00/76/09/854007609.db2.gz QQGFDJWODUPIOY-CYBMUJFWSA-N -1 0 422.466 4.086 20 0 HIADRM COc1ccc(CNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)cc1C(=O)[O-] ZINC000237330443 854007718 /nfs/dbraw/zinc/00/77/18/854007718.db2.gz WVFKNPNMRRPTEW-MRXNPFEDSA-N -1 0 406.482 4.351 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)sc1C(=O)[O-] ZINC000237334142 854008381 /nfs/dbraw/zinc/00/83/81/854008381.db2.gz CLRBVKYVMPINLU-SECBINFHSA-N -1 0 411.405 4.151 20 0 HIADRM COc1cc(CNC(=O)c2sc(-c3ccc(C)cc3C)nc2C)ccc1C(=O)[O-] ZINC000237333263 854008421 /nfs/dbraw/zinc/00/84/21/854008421.db2.gz IZUIFZZXBJIRJP-UHFFFAOYSA-N -1 0 410.495 4.372 20 0 HIADRM COc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])o2)c2c[nH]c3ccccc32)cc1 ZINC000237352631 854011655 /nfs/dbraw/zinc/01/16/55/854011655.db2.gz LBERQNVKGFQZMS-KRWDZBQOSA-N -1 0 404.422 4.030 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Br)cc2C)cc1 ZINC000237362027 854014667 /nfs/dbraw/zinc/01/46/67/854014667.db2.gz VBCRVCCKIHANKD-INIZCTEOSA-N -1 0 408.317 4.425 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000237395024 854021521 /nfs/dbraw/zinc/02/15/21/854021521.db2.gz XTNBYHCLQXADFB-OAHLLOKOSA-N -1 0 404.304 4.131 20 0 HIADRM Cc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)C[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000237399202 854023821 /nfs/dbraw/zinc/02/38/21/854023821.db2.gz BMHACLVQVJUOON-QGZVFWFLSA-N -1 0 408.523 4.411 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000237416899 854027553 /nfs/dbraw/zinc/02/75/53/854027553.db2.gz KGGVHGUJPSATFW-GOSISDBHSA-N -1 0 415.902 4.193 20 0 HIADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000237424046 854029401 /nfs/dbraw/zinc/02/94/01/854029401.db2.gz MGOCWYWDAWOMQO-LLVKDONJSA-N -1 0 410.239 4.364 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 ZINC000237425360 854030896 /nfs/dbraw/zinc/03/08/96/854030896.db2.gz ZBQWHJCWSFJXHQ-NRFANRHFSA-N -1 0 423.538 4.216 20 0 HIADRM C[C@@H]1CN(c2ccc(NC(=O)CC3(CC(=O)[O-])CCCCC3)cc2F)C[C@@H](C)O1 ZINC000237448013 854035066 /nfs/dbraw/zinc/03/50/66/854035066.db2.gz KWLBGYDJUCYEPN-HZPDHXFCSA-N -1 0 406.498 4.193 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000237481184 854041863 /nfs/dbraw/zinc/04/18/63/854041863.db2.gz FOQFUGGYOKZJDP-HNNXBMFYSA-N -1 0 404.304 4.131 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2ccc(COc3ccc(C)cc3C)o2)sc1C(=O)[O-] ZINC000237477215 854042388 /nfs/dbraw/zinc/04/23/88/854042388.db2.gz OJIQYADOUFNNLH-AWEZNQCLSA-N -1 0 414.483 4.430 20 0 HIADRM Cc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000237484092 854043500 /nfs/dbraw/zinc/04/35/00/854043500.db2.gz BMHACLVQVJUOON-KRWDZBQOSA-N -1 0 408.523 4.411 20 0 HIADRM C[C@H](CNC(=O)c1ccc(C(=O)[O-])s1)Sc1ccc(Br)cc1 ZINC000237487139 854043540 /nfs/dbraw/zinc/04/35/40/854043540.db2.gz TVOBQVHOECUDRM-SECBINFHSA-N -1 0 400.319 4.119 20 0 HIADRM COc1ccc(C2(C(=O)N[C@H](C)c3nc(C)c(C(=O)[O-])s3)CCCCC2)cc1 ZINC000237488046 854044505 /nfs/dbraw/zinc/04/45/05/854044505.db2.gz PCUCKVVCBMJSBL-CQSZACIVSA-N -1 0 402.516 4.238 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1cccs1 ZINC000237498692 854045221 /nfs/dbraw/zinc/04/52/21/854045221.db2.gz FWWODJWFWILSGK-SNVBAGLBSA-N -1 0 409.389 4.393 20 0 HIADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237504126 854046293 /nfs/dbraw/zinc/04/62/93/854046293.db2.gz DJDRUEXRODYMNX-FZKQIMNGSA-N -1 0 422.294 4.489 20 0 HIADRM C[C@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237523683 854049617 /nfs/dbraw/zinc/04/96/17/854049617.db2.gz OXVVKWOKNXWVBR-SUMWQHHRSA-N -1 0 422.344 4.403 20 0 HIADRM C[C@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237522962 854049622 /nfs/dbraw/zinc/04/96/22/854049622.db2.gz OJWBPYCGSNXQMC-GUYCJALGSA-N -1 0 422.344 4.403 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000237548776 854053168 /nfs/dbraw/zinc/05/31/68/854053168.db2.gz LAAHUPJFHXEQMD-LBPRGKRZSA-N -1 0 408.317 4.287 20 0 HIADRM Cc1nc(C(=O)NCCCCCCCC(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000237560849 854054403 /nfs/dbraw/zinc/05/44/03/854054403.db2.gz WPTHHGFXBXZMEX-UHFFFAOYSA-N -1 0 413.305 4.038 20 0 HIADRM Cc1ccc(F)cc1C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1 ZINC000237562858 854055183 /nfs/dbraw/zinc/05/51/83/854055183.db2.gz GQSZDJRBVLXJTE-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1nc([C@H](C)NC(=O)C2(c3ccc(Br)cc3)CCC2)sc1C(=O)[O-] ZINC000237561631 854055499 /nfs/dbraw/zinc/05/54/99/854055499.db2.gz UPULTLWTVDKJFY-NSHDSACASA-N -1 0 423.332 4.211 20 0 HIADRM Cc1ccccc1SCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237575090 854057120 /nfs/dbraw/zinc/05/71/20/854057120.db2.gz GTAQIXDNPWAGCT-HNNXBMFYSA-N -1 0 408.317 4.182 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3Cl)o2)sc1C(=O)[O-] ZINC000237587153 854059506 /nfs/dbraw/zinc/05/95/06/854059506.db2.gz KHVFAQSEIMIPIX-LLVKDONJSA-N -1 0 419.890 4.268 20 0 HIADRM Cc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1NC(=O)c1ccccc1F ZINC000237589966 854059709 /nfs/dbraw/zinc/05/97/09/854059709.db2.gz VKTGECQDIORZKS-UHFFFAOYSA-N -1 0 420.440 4.057 20 0 HIADRM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)cc2)n1 ZINC000237584964 854059743 /nfs/dbraw/zinc/05/97/43/854059743.db2.gz YFEQBVQINQKYOM-SFHVURJKSA-N -1 0 421.497 4.060 20 0 HIADRM Cc1cc(O[C@@H](C)C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)ccc1Cl ZINC000237611984 854061138 /nfs/dbraw/zinc/06/11/38/854061138.db2.gz VGTQAZINMPMUHC-ZDUSSCGKSA-N -1 0 412.873 4.180 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000237614146 854063002 /nfs/dbraw/zinc/06/30/02/854063002.db2.gz ZRRZFUHLPMGECI-GOSISDBHSA-N -1 0 408.479 4.255 20 0 HIADRM Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCCCCCCC(=O)[O-])cc12 ZINC000237620349 854063735 /nfs/dbraw/zinc/06/37/35/854063735.db2.gz ICEJXQAFGRTAOV-UHFFFAOYSA-N -1 0 417.506 4.359 20 0 HIADRM Cc1nc(CCC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)oc1-c1ccccc1 ZINC000237629446 854064784 /nfs/dbraw/zinc/06/47/84/854064784.db2.gz SXBULRIIGTZZKQ-UHFFFAOYSA-N -1 0 414.845 4.338 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000237631386 854065142 /nfs/dbraw/zinc/06/51/42/854065142.db2.gz BWZRGESHRCJANX-JTSKRJEESA-N -1 0 416.477 4.155 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NC(C)(C)c3ccc(F)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237661219 854070742 /nfs/dbraw/zinc/07/07/42/854070742.db2.gz VEYPPBWJVLDKHT-UHFFFAOYSA-N -1 0 423.488 4.311 20 0 HIADRM C[C@H]1CN(c2ccc(NC(=O)CC3(C(=O)[O-])CCCCCC3)cc2F)C[C@H](C)O1 ZINC000237668501 854071824 /nfs/dbraw/zinc/07/18/24/854071824.db2.gz NMLTUPSDUMBBLN-HOTGVXAUSA-N -1 0 406.498 4.193 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000237681839 854075218 /nfs/dbraw/zinc/07/52/18/854075218.db2.gz NKDMSKAWIXCUSI-AUUYWEPGSA-N -1 0 408.479 4.192 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCCCC(=O)[O-])cc12 ZINC000237696351 854077699 /nfs/dbraw/zinc/07/76/99/854077699.db2.gz RXPPBDFXXNPQFV-UHFFFAOYSA-N -1 0 419.934 4.483 20 0 HIADRM Cc1sc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1-c1ccc(F)cc1 ZINC000237699077 854078670 /nfs/dbraw/zinc/07/86/70/854078670.db2.gz QTEGEEGHAOPNJU-GOSISDBHSA-N -1 0 417.433 4.264 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)cc1 ZINC000237705060 854078959 /nfs/dbraw/zinc/07/89/59/854078959.db2.gz FLXFPTQSVMGNKX-QKKBWIMNSA-N -1 0 407.445 4.241 20 0 HIADRM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c12 ZINC000237720367 854083070 /nfs/dbraw/zinc/08/30/70/854083070.db2.gz OUMCGWQYVBARML-HXUWFJFHSA-N -1 0 401.422 4.062 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237726392 854083722 /nfs/dbraw/zinc/08/37/22/854083722.db2.gz VYDXXXYSBPEHLP-UHFFFAOYSA-N -1 0 417.509 4.311 20 0 HIADRM Cc1nn(-c2ccccc2)c2sc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc12 ZINC000237725571 854083946 /nfs/dbraw/zinc/08/39/46/854083946.db2.gz RENIJIABIPCDJA-JLSDUUJJSA-N -1 0 409.511 4.253 20 0 HIADRM Cn1c(C(=O)Nc2ccccc2CC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000237727501 854084542 /nfs/dbraw/zinc/08/45/42/854084542.db2.gz TZMPMOXAKXEYGI-UHFFFAOYSA-N -1 0 413.271 4.334 20 0 HIADRM Cc1[nH]c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Br)cc3)cc2c1C ZINC000237727229 854084956 /nfs/dbraw/zinc/08/49/56/854084956.db2.gz SWZKMFWNSWMGRO-SFHVURJKSA-N -1 0 415.287 4.493 20 0 HIADRM Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3-n3ccc(C(=O)[O-])n3)o2)cc1 ZINC000237735697 854085494 /nfs/dbraw/zinc/08/54/94/854085494.db2.gz DIUJWNGQLYELKG-UHFFFAOYSA-N -1 0 416.437 4.105 20 0 HIADRM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)o2)cc1 ZINC000237734171 854085615 /nfs/dbraw/zinc/08/56/15/854085615.db2.gz ANIXYIBQRBPWAG-UHFFFAOYSA-N -1 0 414.845 4.338 20 0 HIADRM Cc1nn(-c2ccc(C(=O)Nc3cccc4cccnc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237736525 854086671 /nfs/dbraw/zinc/08/66/71/854086671.db2.gz IQLPIRATGJLAQM-UHFFFAOYSA-N -1 0 414.465 4.307 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237743985 854087949 /nfs/dbraw/zinc/08/79/49/854087949.db2.gz 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BKLJBAZOMJEZST-LIRRHRJNSA-N -1 0 419.905 4.258 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)nn1-c1cc(C)cc(C)c1 ZINC000431779916 858807581 /nfs/dbraw/zinc/80/75/81/858807581.db2.gz BYXSYUMRWXZOMI-UHFFFAOYSA-N -1 0 407.470 4.293 20 0 HIADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC1CCCC1 ZINC000431780334 858808374 /nfs/dbraw/zinc/80/83/74/858808374.db2.gz DZFHNTLXIVTDHW-IBGZPJMESA-N -1 0 421.852 4.365 20 0 HIADRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)nn1-c1ccc(Cl)cc1Cl ZINC000431782960 858809896 /nfs/dbraw/zinc/80/98/96/858809896.db2.gz QXSQHQQZIBQUOB-UHFFFAOYSA-N -1 0 404.253 4.367 20 0 HIADRM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(OC(F)F)cc1 ZINC000431786440 858811063 /nfs/dbraw/zinc/81/10/63/858811063.db2.gz RUDQDGZAQRNXBK-IBGZPJMESA-N -1 0 412.392 4.214 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OCc3ccccc3)nc2)cc1 ZINC000431788747 858811499 /nfs/dbraw/zinc/81/14/99/858811499.db2.gz MSFBMHUZLYCSIP-HXUWFJFHSA-N -1 0 422.506 4.328 20 0 HIADRM CCCc1c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cnn1-c1ccccc1 ZINC000431789925 858812483 /nfs/dbraw/zinc/81/24/83/858812483.db2.gz VAPAPOARAJOXKC-UHFFFAOYSA-N -1 0 407.470 4.321 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000431789956 858812542 /nfs/dbraw/zinc/81/25/42/858812542.db2.gz VHKUEBIZGZBHFW-IBGZPJMESA-N -1 0 412.392 4.269 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000431793400 858814910 /nfs/dbraw/zinc/81/49/10/858814910.db2.gz HHDGLKSMRIMJRY-NSHDSACASA-N -1 0 400.422 4.341 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1cc2c(ccc3ccccc23)[nH]1)C(=O)[O-] ZINC000431796656 858816184 /nfs/dbraw/zinc/81/61/84/858816184.db2.gz AIIDMPSBKMOHOI-KRWDZBQOSA-N -1 0 402.450 4.003 20 0 HIADRM Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cc12 ZINC000431806103 858821048 /nfs/dbraw/zinc/82/10/48/858821048.db2.gz ZIZAUVDBSWPDHO-KRWDZBQOSA-N -1 0 411.527 4.172 20 0 HIADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000431812865 858823457 /nfs/dbraw/zinc/82/34/57/858823457.db2.gz SACIEPDVBSDUGM-AWEZNQCLSA-N -1 0 420.868 4.217 20 0 HIADRM O=C([O-])C1(CNC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)CCOCC1 ZINC000431854451 858841026 /nfs/dbraw/zinc/84/10/26/858841026.db2.gz OFFBIHHIYCXLBG-UHFFFAOYSA-N -1 0 414.310 4.333 20 0 HIADRM Cc1oc(-c2ccsc2)nc1CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431869175 858847385 /nfs/dbraw/zinc/84/73/85/858847385.db2.gz IXHAWHJOZKNYAV-FQEVSTJZSA-N -1 0 406.463 4.349 20 0 HIADRM O=C([O-])C1(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCOCC1 ZINC000431870492 858847992 /nfs/dbraw/zinc/84/79/92/858847992.db2.gz ITAPCHOAEGPCET-UHFFFAOYSA-N -1 0 419.930 4.244 20 0 HIADRM CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431870423 858848090 /nfs/dbraw/zinc/84/80/90/858848090.db2.gz IKJCWMYRGRAMSV-NRFANRHFSA-N -1 0 418.493 4.171 20 0 HIADRM Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccc4ccccc4c3)cc2)n1 ZINC000431870603 858848274 /nfs/dbraw/zinc/84/82/74/858848274.db2.gz TWUZITGYNINHAC-HSZRJFAPSA-N -1 0 413.477 4.257 20 0 HIADRM Cc1nc(-c2cccc(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(F)c3)c2)cs1 ZINC000431975015 858897222 /nfs/dbraw/zinc/89/72/22/858897222.db2.gz VFKFAYXQAWNCHW-UHFFFAOYSA-N -1 0 402.422 4.124 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1)C(=O)[O-] ZINC000431981899 858902115 /nfs/dbraw/zinc/90/21/15/858902115.db2.gz OVMWZVKIZZWLQY-OAHLLOKOSA-N -1 0 401.890 4.290 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)CC/C=C\c1ccccc1)CC2 ZINC000431985898 858904808 /nfs/dbraw/zinc/90/48/08/858904808.db2.gz IMSNZERUGYZMAG-ATYVUACHSA-N -1 0 409.482 4.098 20 0 HIADRM Cc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1I ZINC000431990743 858907822 /nfs/dbraw/zinc/90/78/22/858907822.db2.gz IIYWNZNSRXORMI-LBPRGKRZSA-N -1 0 423.250 4.115 20 0 HIADRM Cc1cc2cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)oc2c(Br)c1 ZINC000431989746 858908000 /nfs/dbraw/zinc/90/80/00/858908000.db2.gz DLDKDCUDPYYFTG-UHFFFAOYSA-N -1 0 404.216 4.219 20 0 HIADRM O=C([O-])C1(CNC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCOCC1 ZINC000431989188 858908086 /nfs/dbraw/zinc/90/80/86/858908086.db2.gz ZMQJXQHCIRAUMO-UHFFFAOYSA-N -1 0 423.387 4.109 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc3c(ccc(C)c3C)[nH]1)CC2 ZINC000431990853 858909159 /nfs/dbraw/zinc/90/91/59/858909159.db2.gz HRQNQFWFMKVDJQ-HXUWFJFHSA-N -1 0 422.481 4.016 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)cc1)C(=O)[O-] ZINC000431996526 858913051 /nfs/dbraw/zinc/91/30/51/858913051.db2.gz XJYUHFIVHRCOMA-PIGZYNQJSA-N -1 0 418.902 4.045 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)[O-] ZINC000431997544 858913912 /nfs/dbraw/zinc/91/39/12/858913912.db2.gz APVLLJNFUBKTAN-ZDUSSCGKSA-N -1 0 417.387 4.407 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@@H](C)c1cccc(Cl)c1)CC2 ZINC000432005080 858918264 /nfs/dbraw/zinc/91/82/64/858918264.db2.gz DZILUDNGLGKUOR-SCLBCKFNSA-N -1 0 417.889 4.061 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1NC(=O)NC(C)(C)C ZINC000432003483 858918881 /nfs/dbraw/zinc/91/88/81/858918881.db2.gz QVARDEIXKJZMEF-HNNXBMFYSA-N -1 0 411.502 4.431 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)Nc3nc4ccccc4n3-c3ccccc3)cc2=O)cc1 ZINC000467539864 881361845 /nfs/dbraw/zinc/36/18/45/881361845.db2.gz MHLBRLFDVWSZGU-UHFFFAOYSA-N -1 0 409.449 4.065 20 0 HIADRM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432067244 858964613 /nfs/dbraw/zinc/96/46/13/858964613.db2.gz OHIPQRICYZEWOT-UHFFFAOYSA-N -1 0 419.396 4.253 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cnn1-c1ccc(F)cc1 ZINC000432082042 858976684 /nfs/dbraw/zinc/97/66/84/858976684.db2.gz SQUBFOZOHBDLNM-UHFFFAOYSA-N -1 0 410.474 4.313 20 0 HIADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1C ZINC000432085378 858978437 /nfs/dbraw/zinc/97/84/37/858978437.db2.gz OTGXVUCXOSCSBB-VIFPVBQESA-N -1 0 406.733 4.379 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000432090433 858981386 /nfs/dbraw/zinc/98/13/86/858981386.db2.gz RRFMHFWQXVCIKE-KBAYOESNSA-N -1 0 405.416 4.401 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000432090432 858981574 /nfs/dbraw/zinc/98/15/74/858981574.db2.gz RRFMHFWQXVCIKE-BPQIPLTHSA-N -1 0 405.416 4.401 20 0 HIADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000432095775 858985229 /nfs/dbraw/zinc/98/52/29/858985229.db2.gz CIZNRVJDWOZWGE-UHFFFAOYSA-N -1 0 422.462 4.407 20 0 HIADRM CCCOc1ccc(Oc2ncccc2CNC(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000432095852 858986822 /nfs/dbraw/zinc/98/68/22/858986822.db2.gz CYUIGZFLHOCTGI-UHFFFAOYSA-N -1 0 406.438 4.291 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000432101794 858990512 /nfs/dbraw/zinc/99/05/12/858990512.db2.gz DIDBADODBZRWOV-CEXWTWQISA-N -1 0 405.416 4.401 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)C(=O)[O-] ZINC000432102920 858991801 /nfs/dbraw/zinc/99/18/01/858991801.db2.gz NMZULXPSNQTVCV-AWEZNQCLSA-N -1 0 421.478 4.151 20 0 HIADRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000432113855 858997853 /nfs/dbraw/zinc/99/78/53/858997853.db2.gz RXTGUQZUMFWJCC-SFHVURJKSA-N -1 0 411.889 4.040 20 0 HIADRM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432121841 859001630 /nfs/dbraw/zinc/00/16/30/859001630.db2.gz YPELULBJZDFTAW-XMSQKQJNSA-N -1 0 417.937 4.143 20 0 HIADRM O=C([O-])c1ccccc1CCC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000432121436 859001840 /nfs/dbraw/zinc/00/18/40/859001840.db2.gz WKHYZXXVWIMPJK-UHFFFAOYSA-N -1 0 404.919 4.163 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000432121580 859002136 /nfs/dbraw/zinc/00/21/36/859002136.db2.gz GZUZCNUNSOXJAP-QYZOEREBSA-N -1 0 416.315 4.145 20 0 HIADRM C[C@@]1(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCCC[C@H]1C(=O)[O-] ZINC000432124039 859002667 /nfs/dbraw/zinc/00/26/67/859002667.db2.gz XRDNLWYIPHBJAC-RNODOKPDSA-N -1 0 420.918 4.417 20 0 HIADRM CCOc1cc(C(=O)N(C)C2c3ccccc3-c3ccccc32)ccc1OCC(=O)[O-] ZINC000432123767 859002673 /nfs/dbraw/zinc/00/26/73/859002673.db2.gz GDVCCICURKLPJH-UHFFFAOYSA-N -1 0 417.461 4.391 20 0 HIADRM Cc1ccc(C)c(SCc2cccc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)c2)c1 ZINC000432135335 859010338 /nfs/dbraw/zinc/01/03/38/859010338.db2.gz ZQVBYMZFGPUDHC-CTNGQTDRSA-N -1 0 413.539 4.205 20 0 HIADRM O=C1CCC(=O)N1c1ccccc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432173517 859030543 /nfs/dbraw/zinc/03/05/43/859030543.db2.gz ATFUFYQOXJMKKK-UHFFFAOYSA-N -1 0 420.899 4.009 20 0 HIADRM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)n1 ZINC000432176966 859031608 /nfs/dbraw/zinc/03/16/08/859031608.db2.gz NPPGVDXPUHIFOP-UHFFFAOYSA-N -1 0 411.405 4.427 20 0 HIADRM COc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)ccc1NC(C)=O ZINC000432181424 859034148 /nfs/dbraw/zinc/03/41/48/859034148.db2.gz BJYVNDSHJYZDHQ-UHFFFAOYSA-N -1 0 410.904 4.323 20 0 HIADRM O=S(=O)([N-]c1ccc(-n2cncn2)c(F)c1)c1csc2ccc(Cl)cc21 ZINC000432182102 859034816 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Cc1ccc2oc(-c3nnc([N-]S(=O)(=O)c4cc(F)c(F)c(F)c4)o3)cc2c1 ZINC000443155991 867846661 /nfs/dbraw/zinc/84/66/61/867846661.db2.gz KHBTYMANJOGVRY-UHFFFAOYSA-N -1 0 409.345 4.009 20 0 HIADRM O=S(=O)([N-]c1ccc2c(c1)ncn2-c1ccccc1)c1cnccc1C(F)(F)F ZINC000443155242 867847037 /nfs/dbraw/zinc/84/70/37/867847037.db2.gz ICOARZGQQDFYQK-UHFFFAOYSA-N -1 0 418.400 4.240 20 0 HIADRM Cc1ccc2oc(-c3nnc([N-]S(=O)(=O)c4cc(F)ccc4Cl)o3)cc2c1 ZINC000443162005 867851370 /nfs/dbraw/zinc/85/13/70/867851370.db2.gz XERZUELOQGGTEX-UHFFFAOYSA-N -1 0 407.810 4.385 20 0 HIADRM CO[C@@H]1CCN(C(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])[C@H](C)C1 ZINC000443378235 867939943 /nfs/dbraw/zinc/93/99/43/867939943.db2.gz IAABCVNENPHDKJ-NXEZZACHSA-N -1 0 418.708 4.178 20 0 HIADRM CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)c1 ZINC000443407631 867987800 /nfs/dbraw/zinc/98/78/00/867987800.db2.gz QIVAPWPFXZMIDS-UHFFFAOYSA-N -1 0 419.890 4.467 20 0 HIADRM COCc1ccccc1S(=O)(=O)[N-]c1cc(-c2nc3ccccc3[nH]2)ccc1OC ZINC000443422533 868006123 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420.314 4.222 20 0 HIADRM Cc1cc(NC(=O)Cc2noc(-c3ccc(Cl)cc3[O-])n2)n(-c2ccc(C)cc2)n1 ZINC000445490385 869559392 /nfs/dbraw/zinc/55/93/92/869559392.db2.gz LSZWHFLMFJEQDU-UHFFFAOYSA-N -1 0 423.860 4.079 20 0 HIADRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000468374053 882317562 /nfs/dbraw/zinc/31/75/62/882317562.db2.gz OKWQHERFSFTNDI-NSHDSACASA-N -1 0 421.849 4.156 20 0 HIADRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000468383623 882327113 /nfs/dbraw/zinc/32/71/13/882327113.db2.gz KHANGBXONGYQEF-UONOGXRCSA-N -1 0 413.923 4.262 20 0 HIADRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000468385493 882330772 /nfs/dbraw/zinc/33/07/72/882330772.db2.gz VYRBPKVDCCQCGU-JTQLQIEISA-N -1 0 408.278 4.347 20 0 HIADRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000468386170 882332251 /nfs/dbraw/zinc/33/22/51/882332251.db2.gz WMAUMVVRMAZCBV-ZDUSSCGKSA-N -1 0 406.891 4.103 20 0 HIADRM CCSCCCc1noc(Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000445764195 869808991 /nfs/dbraw/zinc/80/89/91/869808991.db2.gz HPCNRNBSVNCRKA-UHFFFAOYSA-N -1 0 423.585 4.208 20 0 HIADRM O=C(Nc1cc(F)ccc1NC(=O)c1ccccn1)c1cc(F)c([O-])c(Cl)c1 ZINC000446102763 870050121 /nfs/dbraw/zinc/05/01/21/870050121.db2.gz JQJIMPRHPUEIGE-UHFFFAOYSA-N -1 0 403.772 4.223 20 0 HIADRM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000446225793 870163374 /nfs/dbraw/zinc/16/33/74/870163374.db2.gz JAQKYBDOFJHGCC-UHFFFAOYSA-N -1 0 406.763 4.186 20 0 HIADRM O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cc(F)c([O-])c(F)c1 ZINC000446490016 870404491 /nfs/dbraw/zinc/40/44/91/870404491.db2.gz HCLKJHJYZGLBAN-UHFFFAOYSA-N -1 0 401.331 4.125 20 0 HIADRM CC(C)[C@@H]1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000446520880 870439255 /nfs/dbraw/zinc/43/92/55/870439255.db2.gz KLKDKHLHXSQJGL-OAHLLOKOSA-N -1 0 406.935 4.259 20 0 HIADRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000446649269 870562970 /nfs/dbraw/zinc/56/29/70/870562970.db2.gz SUDKFEIKWKQMOO-UHFFFAOYSA-N -1 0 407.435 4.159 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc4ccccc4c3)o2)c(C)c1C ZINC000446767362 870679908 /nfs/dbraw/zinc/67/99/08/870679908.db2.gz IDSDXNLTJHPZHV-UHFFFAOYSA-N -1 0 423.494 4.240 20 0 HIADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc(OC(F)(F)F)c3)o2)c(C)c1 ZINC000446767172 870680086 /nfs/dbraw/zinc/68/00/86/870680086.db2.gz CSAYUFPRFNJIIQ-UHFFFAOYSA-N -1 0 413.377 4.053 20 0 HIADRM COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3nnc(CCC(C)C)o3)cc2)cc1 ZINC000446774527 870687442 /nfs/dbraw/zinc/68/74/42/870687442.db2.gz VBGKSRLWWDBMJB-UHFFFAOYSA-N -1 0 417.487 4.260 20 0 HIADRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nnc(C[C@H](C)CC(C)(C)C)o2)cc1 ZINC000446775625 870690509 /nfs/dbraw/zinc/69/05/09/870690509.db2.gz KFLUGLCGOAMMOQ-AWEZNQCLSA-N -1 0 407.536 4.324 20 0 HIADRM O=S(=O)([N-]c1nnc(-c2cc3c(s2)CCCC3)o1)c1ccc(F)cc1Cl ZINC000446777264 870692838 /nfs/dbraw/zinc/69/28/38/870692838.db2.gz REHCPAGJVMZIEB-UHFFFAOYSA-N -1 0 413.883 4.270 20 0 HIADRM C[C@@H](Cc1nnc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)o1)CC(C)(C)C ZINC000446778651 870695814 /nfs/dbraw/zinc/69/58/14/870695814.db2.gz TUTLZACEWHPRMM-NSHDSACASA-N -1 0 421.441 4.384 20 0 HIADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3C)o2)c(C)c1 ZINC000446777856 870696102 /nfs/dbraw/zinc/69/61/02/870696102.db2.gz UHHBSOPHEFVVPM-UHFFFAOYSA-N -1 0 411.405 4.481 20 0 HIADRM COc1ccc2nc([N-]S(=O)(=O)Cc3ccc(Br)cc3)sc2c1 ZINC000446821696 870735693 /nfs/dbraw/zinc/73/56/93/870735693.db2.gz SBYRXZQKWRZJFJ-UHFFFAOYSA-N -1 0 413.318 4.009 20 0 HIADRM O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000446852540 870772846 /nfs/dbraw/zinc/77/28/46/870772846.db2.gz OUJPPBCOERCYSC-UHFFFAOYSA-N -1 0 407.175 4.381 20 0 HIADRM CC(C)Oc1ccc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(F)c1 ZINC000446856627 870778223 /nfs/dbraw/zinc/77/82/23/870778223.db2.gz ITUBJTGACLFCPF-UHFFFAOYSA-N -1 0 401.221 4.203 20 0 HIADRM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000446858502 870780033 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4.255 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)s2)cc1 ZINC000236987055 853947368 /nfs/dbraw/zinc/94/73/68/853947368.db2.gz LWCLZLCFLWNMQM-SZMVWBNQSA-N -1 0 414.527 4.375 20 0 HIADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237011257 853951680 /nfs/dbraw/zinc/95/16/80/853951680.db2.gz NNWLXGFTKHWKRX-KRWDZBQOSA-N -1 0 401.315 4.419 20 0 HIADRM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000237021160 853952451 /nfs/dbraw/zinc/95/24/51/853952451.db2.gz QKNGPPSGCKYZIG-HNNXBMFYSA-N -1 0 420.303 4.041 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)c2cccc(-c3csc(C)n3)c2)C(=O)[O-])cc1 ZINC000237046759 853956688 /nfs/dbraw/zinc/95/66/88/853956688.db2.gz ZZYRKWXMGXSTDW-LJQANCHMSA-N -1 0 424.522 4.191 20 0 HIADRM CC[C@@H](C)[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000237052539 853957730 /nfs/dbraw/zinc/95/77/30/853957730.db2.gz IBCVQMHXCNLMPY-CWTRNNRKSA-N -1 0 412.490 4.118 20 0 HIADRM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc(C)c1OCc1cccnc1 ZINC000237063873 853958468 /nfs/dbraw/zinc/95/84/68/853958468.db2.gz CRXWMSPDMRSHGX-UHFFFAOYSA-N -1 0 404.466 4.248 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC000237071286 853960190 /nfs/dbraw/zinc/96/01/90/853960190.db2.gz CMKCMNJYEDRZHC-GFCCVEGCSA-N -1 0 408.907 4.288 20 0 HIADRM CCCn1ccc2cc(NC(=O)c3ccc(-n4ncc(C(=O)[O-])c4C)cc3)ccc21 ZINC000237080583 853962291 /nfs/dbraw/zinc/96/22/91/853962291.db2.gz JFERYFXTRSFHDJ-UHFFFAOYSA-N -1 0 402.454 4.496 20 0 HIADRM CCc1ccc(CC(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000237133072 853969856 /nfs/dbraw/zinc/96/98/56/853969856.db2.gz BXXRWLAHGFSZKY-UHFFFAOYSA-N -1 0 417.387 4.333 20 0 HIADRM COCc1c(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])sc2cccc(F)c21 ZINC000237185736 853977419 /nfs/dbraw/zinc/97/74/19/853977419.db2.gz XFKIVIAGYGUKRJ-OAHLLOKOSA-N -1 0 415.486 4.169 20 0 HIADRM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237188692 853978712 /nfs/dbraw/zinc/97/87/12/853978712.db2.gz QRAXTEFBWGKJRZ-UHFFFAOYSA-N -1 0 416.315 4.270 20 0 HIADRM COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237189100 853978737 /nfs/dbraw/zinc/97/87/37/853978737.db2.gz OWFXBOHUYWEBNI-SUMWQHHRSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237202623 853980704 /nfs/dbraw/zinc/98/07/04/853980704.db2.gz AEPWWPYNZDCLOL-GOSISDBHSA-N -1 0 420.303 4.113 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000237215266 853984503 /nfs/dbraw/zinc/98/45/03/853984503.db2.gz RSLFXAOXXLOSDH-ZBFHGGJFSA-N -1 0 423.431 4.267 20 0 HIADRM COc1ccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237237509 853988794 /nfs/dbraw/zinc/98/87/94/853988794.db2.gz DXVLMRBFVWKGSP-FZKQIMNGSA-N -1 0 420.303 4.284 20 0 HIADRM Cc1cc(CN(C)C(=O)c2ccc(C(=O)[O-])s2)cc(C)c1OCC(F)(F)F ZINC000237251012 853990846 /nfs/dbraw/zinc/99/08/46/853990846.db2.gz NMKVZHUQPZESHE-UHFFFAOYSA-N -1 0 401.406 4.276 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(=O)[O-] ZINC000237270373 853993869 /nfs/dbraw/zinc/99/38/69/853993869.db2.gz NSMRISOJSWLVQZ-YPAWHYETSA-N -1 0 403.478 4.012 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@@H]3CCc4ccccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237268227 853993987 /nfs/dbraw/zinc/99/39/87/853993987.db2.gz XQEHULWPTZYLFT-HSZRJFAPSA-N -1 0 417.509 4.266 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000237279337 853996695 /nfs/dbraw/zinc/99/66/95/853996695.db2.gz BIGVCMIQYWOIDD-GFCCVEGCSA-N -1 0 421.280 4.157 20 0 HIADRM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000237318782 854006066 /nfs/dbraw/zinc/00/60/66/854006066.db2.gz VWWZWOZPKJULBF-LBPRGKRZSA-N -1 0 423.296 4.015 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237349360 854010301 /nfs/dbraw/zinc/01/03/01/854010301.db2.gz IJEFZIBGMAITLL-GFCCVEGCSA-N -1 0 408.317 4.287 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237351831 854011359 /nfs/dbraw/zinc/01/13/59/854011359.db2.gz PEEXLASJCVKAAG-MFKMUULPSA-N -1 0 414.346 4.323 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237352255 854011487 /nfs/dbraw/zinc/01/14/87/854011487.db2.gz PEEXLASJCVKAAG-ZWNOBZJWSA-N -1 0 414.346 4.323 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Br)ccc2C)cc1 ZINC000237350783 854011669 /nfs/dbraw/zinc/01/16/69/854011669.db2.gz BCXQTIXOAGQILP-MRXNPFEDSA-N -1 0 408.317 4.425 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000237361824 854014727 /nfs/dbraw/zinc/01/47/27/854014727.db2.gz LVPPZQDKVKEBGJ-HNNXBMFYSA-N -1 0 412.280 4.256 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)sc1C(=O)[O-] ZINC000237362577 854014842 /nfs/dbraw/zinc/01/48/42/854014842.db2.gz ZJRUTRHJQSPHMP-CYBMUJFWSA-N -1 0 412.515 4.124 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccc(Br)s1)C(=O)[O-] ZINC000237366297 854015799 /nfs/dbraw/zinc/01/57/99/854015799.db2.gz WCJZXSBWANQUFY-SNVBAGLBSA-N -1 0 414.346 4.348 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000237377247 854018623 /nfs/dbraw/zinc/01/86/23/854018623.db2.gz NDGDQQCYEVHARH-SNVBAGLBSA-N -1 0 412.280 4.083 20 0 HIADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237386717 854019282 /nfs/dbraw/zinc/01/92/82/854019282.db2.gz LVBZAOGCOFXXIX-INIZCTEOSA-N -1 0 408.317 4.258 20 0 HIADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000237383542 854019476 /nfs/dbraw/zinc/01/94/76/854019476.db2.gz CGCDMFFSQPMHAI-UWJYYQICSA-N -1 0 408.498 4.207 20 0 HIADRM C[C@H](CN(C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)C1CC1)C(=O)[O-] ZINC000237391022 854021503 /nfs/dbraw/zinc/02/15/03/854021503.db2.gz PLXUTTKGQDJQOX-CYBMUJFWSA-N -1 0 413.861 4.111 20 0 HIADRM C[C@H](C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1cccs1 ZINC000237465889 854038113 /nfs/dbraw/zinc/03/81/13/854038113.db2.gz FWWODJWFWILSGK-JTQLQIEISA-N -1 0 409.389 4.393 20 0 HIADRM C[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237467830 854038755 /nfs/dbraw/zinc/03/87/55/854038755.db2.gz MXEIIIVBRYHPGN-HNAYVOBHSA-N -1 0 420.465 4.254 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237477896 854042555 /nfs/dbraw/zinc/04/25/55/854042555.db2.gz UMLZNENCROATJK-NSHDSACASA-N -1 0 408.907 4.009 20 0 HIADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237520361 854048483 /nfs/dbraw/zinc/04/84/83/854048483.db2.gz QGFFDVFBFRXKKD-QLJPJBMISA-N -1 0 400.233 4.232 20 0 HIADRM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237524246 854049425 /nfs/dbraw/zinc/04/94/25/854049425.db2.gz ZSPBKSYOLHOICE-STQMWFEESA-N -1 0 422.344 4.375 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237536743 854051400 /nfs/dbraw/zinc/05/14/00/854051400.db2.gz PEEXLASJCVKAAG-GXFFZTMASA-N -1 0 414.346 4.323 20 0 HIADRM C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)[C@@H](C)C1 ZINC000237533703 854051595 /nfs/dbraw/zinc/05/15/95/854051595.db2.gz VZGCHKTYNKVGEU-BFQNTYOBSA-N -1 0 409.408 4.144 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCc1ccc(Br)c(F)c1)C(=O)[O-] ZINC000237558115 854054180 /nfs/dbraw/zinc/05/41/80/854054180.db2.gz NDGDQQCYEVHARH-JTQLQIEISA-N -1 0 412.280 4.083 20 0 HIADRM C[C@H](Cc1cccs1)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237578854 854057368 /nfs/dbraw/zinc/05/73/68/854057368.db2.gz PPDXCHQBLAEYDQ-LLVKDONJSA-N -1 0 423.416 4.012 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)c(C)c1CCC(=O)[O-] ZINC000237582873 854058336 /nfs/dbraw/zinc/05/83/36/854058336.db2.gz LJBPDJSXQCBIOJ-HNNXBMFYSA-N -1 0 403.482 4.098 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1 ZINC000237581061 854058468 /nfs/dbraw/zinc/05/84/68/854058468.db2.gz SEMLNKGUGXYEGO-XOBRGWDASA-N -1 0 419.481 4.400 20 0 HIADRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000237587735 854059264 /nfs/dbraw/zinc/05/92/64/854059264.db2.gz VFVCXVUBRKCRSC-ZDUSSCGKSA-N -1 0 412.873 4.180 20 0 HIADRM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237606736 854060798 /nfs/dbraw/zinc/06/07/98/854060798.db2.gz TVPFQZNZSRVOHI-UHFFFAOYSA-N -1 0 405.788 4.122 20 0 HIADRM C[C@H](CN(C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C1CC1)C(=O)[O-] ZINC000237609625 854061504 /nfs/dbraw/zinc/06/15/04/854061504.db2.gz XTNPNVWYIKEUKO-CHWSQXEVSA-N -1 0 422.934 4.328 20 0 HIADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000237615323 854062525 /nfs/dbraw/zinc/06/25/25/854062525.db2.gz IRIRAVKYRJYSDS-AWEZNQCLSA-N -1 0 406.413 4.267 20 0 HIADRM Cc1ccc([C@H](C)N(C)S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000237614898 854062577 /nfs/dbraw/zinc/06/25/77/854062577.db2.gz ZNOKFDQUWBUYKY-NSHDSACASA-N -1 0 402.299 4.382 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CCCCC1 ZINC000237613567 854062610 /nfs/dbraw/zinc/06/26/10/854062610.db2.gz OIVAQJLVVPGFTI-OPAMFIHVSA-N -1 0 424.488 4.044 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000237612283 854063047 /nfs/dbraw/zinc/06/30/47/854063047.db2.gz YYLSITKIBCDHFO-MRXNPFEDSA-N -1 0 401.260 4.185 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1ccccc1 ZINC000237618140 854063871 /nfs/dbraw/zinc/06/38/71/854063871.db2.gz GLKYCIVCAGQBMW-UOQGXUADSA-N -1 0 407.388 4.267 20 0 HIADRM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237623932 854064670 /nfs/dbraw/zinc/06/46/70/854064670.db2.gz JLVDSWPIPWJUHU-JTQLQIEISA-N -1 0 412.667 4.136 20 0 HIADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237625180 854064771 /nfs/dbraw/zinc/06/47/71/854064771.db2.gz IIADCOSYJKVUNB-ZDUSSCGKSA-N -1 0 412.873 4.180 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000237628570 854064946 /nfs/dbraw/zinc/06/49/46/854064946.db2.gz QGPYYXDSSFLQCM-GTNSWQLSSA-N -1 0 402.244 4.387 20 0 HIADRM Cc1cc(F)ccc1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237643529 854066886 /nfs/dbraw/zinc/06/68/86/854066886.db2.gz AQBFVGLCVQSBFQ-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc12 ZINC000237644237 854066972 /nfs/dbraw/zinc/06/69/72/854066972.db2.gz PTSJPWUSBFYLAT-CQSZACIVSA-N -1 0 415.490 4.252 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)Cc2cccc(OCc3ccccc3C)c2)sc1C(=O)[O-] ZINC000237645971 854067759 /nfs/dbraw/zinc/06/77/59/854067759.db2.gz XTRZTTMZEQHIEX-MRXNPFEDSA-N -1 0 424.522 4.457 20 0 HIADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc12 ZINC000237647146 854067866 /nfs/dbraw/zinc/06/78/66/854067866.db2.gz USGKCTFVUWBOQU-OAHLLOKOSA-N -1 0 403.891 4.128 20 0 HIADRM C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000237655869 854068526 /nfs/dbraw/zinc/06/85/26/854068526.db2.gz 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COc1ccc2nc(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)ccc2c1 ZINC000431654018 858715186 /nfs/dbraw/zinc/71/51/86/858715186.db2.gz FRKULJDYIVWUNS-UHFFFAOYSA-N -1 0 402.406 4.112 20 0 HIADRM Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)n1 ZINC000431655761 858716728 /nfs/dbraw/zinc/71/67/28/858716728.db2.gz PMWVJHZOIOHFDZ-UHFFFAOYSA-N -1 0 419.412 4.189 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CSc1cccc(Br)c1)c1ccccc1 ZINC000431663734 858722306 /nfs/dbraw/zinc/72/23/06/858722306.db2.gz JECGMMUKHUVVSY-SJCJKPOMSA-N -1 0 408.317 4.119 20 0 HIADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])c21 ZINC000431664882 858723038 /nfs/dbraw/zinc/72/30/38/858723038.db2.gz MNDVHYQMLJHETC-RNODOKPDSA-N -1 0 407.470 4.415 20 0 HIADRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000431665786 858724677 /nfs/dbraw/zinc/72/46/77/858724677.db2.gz QPDZNPHTSZWUSW-UHFFFAOYSA-N -1 0 409.511 4.368 20 0 HIADRM O=C([O-])Cn1ccc2cc(NC(=O)c3ccc(C(=O)Nc4ccccc4)cc3)ccc21 ZINC000431678856 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4.182 20 0 HIADRM O=C([O-])CCCOc1ccc(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)cc1 ZINC000431798517 858816752 /nfs/dbraw/zinc/81/67/52/858816752.db2.gz FPVRRXJAVNYWGD-UHFFFAOYSA-N -1 0 418.449 4.179 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)cc1 ZINC000431801607 858818558 /nfs/dbraw/zinc/81/85/58/858818558.db2.gz PJCUMSIZDWPYDU-MRXNPFEDSA-N -1 0 402.516 4.317 20 0 HIADRM COc1ccc([C@@H](NC(=O)c2cc3cc(C)cc(Br)c3o2)C(=O)[O-])cc1 ZINC000431804873 858820127 /nfs/dbraw/zinc/82/01/27/858820127.db2.gz NEJDFGDYZRYLPA-MRXNPFEDSA-N -1 0 418.243 4.068 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1cccc(Oc2cnccn2)c1)c1ccc(Cl)c(F)c1 ZINC000431807032 858820993 /nfs/dbraw/zinc/82/09/93/858820993.db2.gz FBQZJZVWXLIUDN-KRWDZBQOSA-N -1 0 415.808 4.007 20 0 HIADRM CCOc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2F)ccc1OCc1cccnc1 ZINC000431806451 858821237 /nfs/dbraw/zinc/82/12/37/858821237.db2.gz BSHSARBBFHJMLK-UHFFFAOYSA-N -1 0 410.401 4.149 20 0 HIADRM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nn1-c1ccc(Cl)c(Cl)c1 ZINC000431814677 858825272 /nfs/dbraw/zinc/82/52/72/858825272.db2.gz XJRQDWXCZWIWAS-CYBMUJFWSA-N -1 0 410.301 4.347 20 0 HIADRM COc1ccc([C@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C(=O)[O-])cc1 ZINC000431816693 858826263 /nfs/dbraw/zinc/82/62/63/858826263.db2.gz YLSBQBXWAZMVBX-AWEZNQCLSA-N -1 0 424.400 4.188 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)cc2=O)cc1 ZINC000467530447 881349062 /nfs/dbraw/zinc/34/90/62/881349062.db2.gz CLGPVMXAEPEOIR-NRFANRHFSA-N -1 0 417.509 4.132 20 0 HIADRM O=C([O-])C1(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCCCC1 ZINC000431865856 858845835 /nfs/dbraw/zinc/84/58/35/858845835.db2.gz CLTCRJZJEVSQBQ-UHFFFAOYSA-N -1 0 420.918 4.419 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cccc(-c3ccoc3)c1)CC2 ZINC000431975960 858898271 /nfs/dbraw/zinc/89/82/71/858898271.db2.gz YWTSWLCAHZJJDX-HXUWFJFHSA-N -1 0 421.449 4.178 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000431981193 858902452 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OVMQFUJWZFDYEF-NEPJUHHUSA-N -1 0 411.424 4.068 20 0 HIADRM CCCc1c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cnn1Cc1ccccc1 ZINC000432003135 858917016 /nfs/dbraw/zinc/91/70/16/858917016.db2.gz OILJVBVPWVNJRF-QGZVFWFLSA-N -1 0 405.498 4.399 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1)C(=O)[O-] ZINC000432009603 858923679 /nfs/dbraw/zinc/92/36/79/858923679.db2.gz XHYAAZXSNBUENP-CYBMUJFWSA-N -1 0 413.861 4.225 20 0 HIADRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432054820 858953001 /nfs/dbraw/zinc/95/30/01/858953001.db2.gz WYIJKLGDNIZGLM-UHFFFAOYSA-N -1 0 415.433 4.422 20 0 HIADRM CC(C)(c1ccc([N-]S(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1)C(F)(F)F ZINC000432078569 858972972 /nfs/dbraw/zinc/97/29/72/858972972.db2.gz PVFZXACKRQSHTP-UHFFFAOYSA-N -1 0 415.359 4.086 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432094050 858985295 /nfs/dbraw/zinc/98/52/95/858985295.db2.gz FRHUIQHGQBRDGU-VFNWGFHPSA-N -1 0 418.490 4.211 20 0 HIADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000432103007 858991561 /nfs/dbraw/zinc/99/15/61/858991561.db2.gz ODDNSPYYIUMAHJ-SFHVURJKSA-N -1 0 412.873 4.130 20 0 HIADRM CCC[C@H]1CCCN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000432104468 858993214 /nfs/dbraw/zinc/99/32/14/858993214.db2.gz ZYIFSAYJXWVSJH-ZDUSSCGKSA-N -1 0 409.408 4.242 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000432108064 858995522 /nfs/dbraw/zinc/99/55/22/858995522.db2.gz MIXKOZUEFQRXRE-NXHRZFHOSA-N -1 0 421.415 4.281 20 0 HIADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Br ZINC000432108027 858996110 /nfs/dbraw/zinc/99/61/10/858996110.db2.gz MBKYIFRPEOOBCI-AWEZNQCLSA-N -1 0 410.695 4.308 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccc1Cl ZINC000432113356 858997997 /nfs/dbraw/zinc/99/79/97/858997997.db2.gz GUCDBZJVCNPOTH-CQSZACIVSA-N -1 0 410.695 4.308 20 0 HIADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](CCC(=O)[O-])Cc3ccccc3)c21 ZINC000432113850 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Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c(C)n1C(C)C ZINC000443583792 868137817 /nfs/dbraw/zinc/13/78/17/868137817.db2.gz QJYWSOYDSWXIRN-UHFFFAOYSA-N -1 0 418.544 4.195 20 0 HIADRM CCN(Cc1c[nH]c2ccccc12)C(=O)N=c1nc(-c2cccc(OC)c2)[n-]s1 ZINC000443604004 868165447 /nfs/dbraw/zinc/16/54/47/868165447.db2.gz RSVPCDPCJKRONX-UHFFFAOYSA-N -1 0 407.499 4.171 20 0 HIADRM CC[C@]1(C)CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000468256465 882166143 /nfs/dbraw/zinc/16/61/43/882166143.db2.gz GOXODBQAVVHIHW-HXUWFJFHSA-N -1 0 408.470 4.028 20 0 HIADRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(CN2CCSCC2)c1 ZINC000444035968 868571784 /nfs/dbraw/zinc/57/17/84/868571784.db2.gz KPZFPUYFFNYTEG-UHFFFAOYSA-N -1 0 420.531 4.230 20 0 HIADRM O=S(=O)([N-]c1ccc(-c2cn3c(n2)CCCC3)cc1)c1c(F)cccc1Cl ZINC000444052924 868590171 /nfs/dbraw/zinc/59/01/71/868590171.db2.gz HUWJLIICXPBAEO-UHFFFAOYSA-N -1 0 405.882 4.480 20 0 HIADRM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCCCC1)c1cnc(-c2ccccc2)nc1 ZINC000444053777 868592500 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O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000504276276 913131849 /nfs/dbraw/zinc/13/18/49/913131849.db2.gz BDOYGWMBPXBFQY-UHFFFAOYSA-N -1 0 413.302 4.050 20 0 HIADRM CCC(C)(C)NC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000472787147 887632398 /nfs/dbraw/zinc/63/23/98/887632398.db2.gz JRHXCPXTMRBXTE-UHFFFAOYSA-N -1 0 405.520 4.115 20 0 HIADRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N2CCCC2)sc1Cl ZINC000473402142 888117726 /nfs/dbraw/zinc/11/77/26/888117726.db2.gz ASSHPIJZHCBNOM-UHFFFAOYSA-N -1 0 419.355 4.400 20 0 HIADRM O=S(=O)([N-]c1cccc(Cl)c1-n1cncn1)c1ccc(Cl)c(F)c1Cl ZINC000473420344 888139362 /nfs/dbraw/zinc/13/93/62/888139362.db2.gz WFRKFZHILXBQAR-UHFFFAOYSA-N -1 0 421.668 4.167 20 0 HIADRM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)[C@H](C)c1ccccc1 ZINC000473539989 888279456 /nfs/dbraw/zinc/27/94/56/888279456.db2.gz DMGNZPXRBMGBFB-JKSUJKDBSA-N -1 0 414.552 4.471 20 0 HIADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2C[C@@H](C)O[C@H](C)C2)sc1Cl ZINC000473757318 888548010 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20 0 HIADRM CCC[C@@](C)(NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000236976446 853945223 /nfs/dbraw/zinc/94/52/23/853945223.db2.gz QQVORGYIUQCZSX-HXUWFJFHSA-N -1 0 400.504 4.114 20 0 HIADRM CCO[C@@H](C)c1nc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cs1 ZINC000237033992 853954321 /nfs/dbraw/zinc/95/43/21/853954321.db2.gz MSHYNCYPMHTWAC-KBXCAEBGSA-N -1 0 418.559 4.413 20 0 HIADRM Cc1ccc(N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000237044552 853956785 /nfs/dbraw/zinc/95/67/85/853956785.db2.gz NXFOFYOIVGYCTQ-UHFFFAOYSA-N -1 0 407.797 4.191 20 0 HIADRM CCc1c(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)cnn1-c1cccc(Cl)c1 ZINC000237107414 853965466 /nfs/dbraw/zinc/96/54/66/853965466.db2.gz ZEDYZJARWSJNCI-NSHDSACASA-N -1 0 418.906 4.042 20 0 HIADRM CCc1c(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)cnn1-c1cccc(Cl)c1 ZINC000237109682 853966493 /nfs/dbraw/zinc/96/64/93/853966493.db2.gz ZEDYZJARWSJNCI-LLVKDONJSA-N -1 0 418.906 4.042 20 0 HIADRM COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237119242 853966686 /nfs/dbraw/zinc/96/66/86/853966686.db2.gz JAVKEHWFJRORFA-CYBMUJFWSA-N -1 0 424.266 4.120 20 0 HIADRM CCc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000237129246 853968413 /nfs/dbraw/zinc/96/84/13/853968413.db2.gz UGMJIBWIHULMTA-UHFFFAOYSA-N -1 0 403.360 4.404 20 0 HIADRM COCc1c(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])sc2cccc(F)c21 ZINC000237185934 853977435 /nfs/dbraw/zinc/97/74/35/853977435.db2.gz XFKIVIAGYGUKRJ-HNNXBMFYSA-N -1 0 415.486 4.169 20 0 HIADRM COc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237201479 853981316 /nfs/dbraw/zinc/98/13/16/853981316.db2.gz WAECSQCIYMAVLE-SFHVURJKSA-N -1 0 420.303 4.113 20 0 HIADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000237207061 853982163 /nfs/dbraw/zinc/98/21/63/853982163.db2.gz YRZGYIVZZKVEQQ-OAHLLOKOSA-N -1 0 410.706 4.471 20 0 HIADRM COc1ccc(C[C@@H](C)C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237216631 853984260 /nfs/dbraw/zinc/98/42/60/853984260.db2.gz LTCGAWZKXGWGKB-CQSZACIVSA-N -1 0 409.404 4.006 20 0 HIADRM COc1ccccc1C[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237250678 853991077 /nfs/dbraw/zinc/99/10/77/853991077.db2.gz FZKOXBXFTXJRLI-UGSOOPFHSA-N -1 0 407.869 4.389 20 0 HIADRM COc1ccccc1[C@H](C)CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237248120 853991125 /nfs/dbraw/zinc/99/11/25/853991125.db2.gz JFCDWKHIUQHPHH-DYESRHJHSA-N -1 0 405.494 4.402 20 0 HIADRM COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237286980 853998313 /nfs/dbraw/zinc/99/83/13/853998313.db2.gz AEOXXNBSQFQJIR-LLVKDONJSA-N -1 0 419.890 4.093 20 0 HIADRM COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)c2c[nH]c3ccccc32)cc1 ZINC000237321244 854005770 /nfs/dbraw/zinc/00/57/70/854005770.db2.gz LBERQNVKGFQZMS-QGZVFWFLSA-N -1 0 404.422 4.030 20 0 HIADRM COc1cccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000237324812 854006724 /nfs/dbraw/zinc/00/67/24/854006724.db2.gz OYLTYNNREUKPMA-FZKQIMNGSA-N -1 0 420.303 4.284 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)cc1 ZINC000237359724 854013836 /nfs/dbraw/zinc/01/38/36/854013836.db2.gz DGRRUQNXYMUKCL-APWZRJJASA-N -1 0 403.482 4.206 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](C)Cc3ccccc3F)cc2)c(C)c1CCC(=O)[O-] ZINC000237369856 854016460 /nfs/dbraw/zinc/01/64/60/854016460.db2.gz KZKVUKGXSMIOQY-HNNXBMFYSA-N -1 0 423.488 4.006 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(CCC(=O)[O-])C2CC2)cc1 ZINC000237383457 854018431 /nfs/dbraw/zinc/01/84/31/854018431.db2.gz YXCSGGLHDAHMAI-UHFFFAOYSA-N -1 0 406.482 4.242 20 0 HIADRM COc1cc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000237386500 854019379 /nfs/dbraw/zinc/01/93/79/854019379.db2.gz ZKLHTLTVQCGTBR-JKSUJKDBSA-N -1 0 422.506 4.369 20 0 HIADRM CSc1ccc(Cl)c(C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c1 ZINC000237399288 854023783 /nfs/dbraw/zinc/02/37/83/854023783.db2.gz OAAPUKODQPMRSY-KRWDZBQOSA-N -1 0 406.866 4.108 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cc2ccc(Br)cc2[nH]1)C(=O)[O-] ZINC000237409613 854025988 /nfs/dbraw/zinc/02/59/88/854025988.db2.gz KRGKWMIKDHNLOR-CYBMUJFWSA-N -1 0 415.287 4.294 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000237415422 854027636 /nfs/dbraw/zinc/02/76/36/854027636.db2.gz HQVNHFJOXICSMV-HXUWFJFHSA-N -1 0 409.511 4.157 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nc(-c3ccco3)sc2C)cc1 ZINC000237417849 854028858 /nfs/dbraw/zinc/02/88/58/854028858.db2.gz FSQDUKDICQZASO-CQSZACIVSA-N -1 0 402.497 4.379 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 ZINC000237425666 854030744 /nfs/dbraw/zinc/03/07/44/854030744.db2.gz ZTNDHAIMAYBEDQ-SFHVURJKSA-N -1 0 415.902 4.193 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnn(-c3cc(C)ccc3C)c2C)cc1 ZINC000237426151 854030922 /nfs/dbraw/zinc/03/09/22/854030922.db2.gz DABJLCFRTGYXJU-FQEVSTJZSA-N -1 0 423.538 4.465 20 0 HIADRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237455561 854037202 /nfs/dbraw/zinc/03/72/02/854037202.db2.gz QIPDSXWOFMTSDF-IAGOWNOFSA-N -1 0 408.498 4.074 20 0 HIADRM COc1ccc2[nH]cc(C3CCN(C(=O)CCc4ccc(C(=O)[O-])cc4)CC3)c2c1 ZINC000237458098 854037232 /nfs/dbraw/zinc/03/72/32/854037232.db2.gz RNIPXKRLOBYWSW-UHFFFAOYSA-N -1 0 406.482 4.214 20 0 HIADRM C[C@H](C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccc(Br)s1 ZINC000237462049 854037242 /nfs/dbraw/zinc/03/72/42/854037242.db2.gz QQXOSQOFMGPYBS-JTQLQIEISA-N -1 0 420.288 4.137 20 0 HIADRM COc1ccc2c(c1)oc(C(=O)Nc1nc(CC(=O)[O-])cs1)c2-c1ccccc1 ZINC000237463848 854038069 /nfs/dbraw/zinc/03/80/69/854038069.db2.gz KTVFHLPFZGEPDI-UHFFFAOYSA-N -1 0 408.435 4.444 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C[C@H](C)C(=O)[O-])C4CC4)cc3)o2)cc1 ZINC000237479024 854041931 /nfs/dbraw/zinc/04/19/31/854041931.db2.gz UNVNBOHBZHCMIB-HNNXBMFYSA-N -1 0 405.454 4.037 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000237493141 854044279 /nfs/dbraw/zinc/04/42/79/854044279.db2.gz LZESUNUZTKWCHH-MWLCHTKSSA-N -1 0 400.422 4.225 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NC[C@@H](C)c3ccc(C)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237502125 854046256 /nfs/dbraw/zinc/04/62/56/854046256.db2.gz PSUBPVFTPLYJQY-QGZVFWFLSA-N -1 0 419.525 4.348 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000237509886 854047715 /nfs/dbraw/zinc/04/77/15/854047715.db2.gz ADMSEBHHRDSCSD-HRAATJIYSA-N -1 0 421.522 4.198 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)cc1 ZINC000237531899 854050511 /nfs/dbraw/zinc/05/05/11/854050511.db2.gz FLXFPTQSVMGNKX-SZNDQCEHSA-N -1 0 407.445 4.241 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000237536255 854051428 /nfs/dbraw/zinc/05/14/28/854051428.db2.gz CRKPEQMFPGATSL-IFXJQAMLSA-N -1 0 408.479 4.192 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000237543004 854052398 /nfs/dbraw/zinc/05/23/98/854052398.db2.gz WLSOZAWLMCWTDL-KBXCAEBGSA-N -1 0 407.445 4.036 20 0 HIADRM C[C@H](CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)C1CCCCC1 ZINC000237548123 854053544 /nfs/dbraw/zinc/05/35/44/854053544.db2.gz MVVKDUMBWQBYBG-MRXNPFEDSA-N -1 0 400.519 4.168 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC000237555809 854054214 /nfs/dbraw/zinc/05/42/14/854054214.db2.gz JFKYANPTUAWWMG-LBPRGKRZSA-N -1 0 402.903 4.359 20 0 HIADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237558060 854054664 /nfs/dbraw/zinc/05/46/64/854054664.db2.gz YQCXXANCYDNZBO-GUYCJALGSA-N -1 0 412.324 4.209 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)cc1 ZINC000237577138 854057339 /nfs/dbraw/zinc/05/73/39/854057339.db2.gz DGRRUQNXYMUKCL-LPHOPBHVSA-N -1 0 403.482 4.206 20 0 HIADRM Cc1ccccc1SCC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237575857 854057510 /nfs/dbraw/zinc/05/75/10/854057510.db2.gz GTAQIXDNPWAGCT-OAHLLOKOSA-N -1 0 408.317 4.182 20 0 HIADRM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000237581239 854058481 /nfs/dbraw/zinc/05/84/81/854058481.db2.gz VRGWXLNQHDREDU-QGZVFWFLSA-N -1 0 416.477 4.447 20 0 HIADRM Cc1cc(C(=O)NCCCCCCCC(=O)[O-])nn1-c1ccc(Br)cc1 ZINC000237587297 854059697 /nfs/dbraw/zinc/05/96/97/854059697.db2.gz XKUMYQPUVFHNTD-UHFFFAOYSA-N -1 0 422.323 4.098 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000237611939 854061732 /nfs/dbraw/zinc/06/17/32/854061732.db2.gz MMJUVDCAPNLGMC-YWZLYKJASA-N -1 0 410.495 4.153 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000237617808 854063969 /nfs/dbraw/zinc/06/39/69/854063969.db2.gz FIHXJMVBSVEJBD-XKDXWZMYSA-N -1 0 402.288 4.131 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCc2ncc(-c3ccccc3Cl)o2)sc1C(=O)[O-] ZINC000237621326 854064108 /nfs/dbraw/zinc/06/41/08/854064108.db2.gz KHVFAQSEIMIPIX-NSHDSACASA-N -1 0 419.890 4.268 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000237630047 854065125 /nfs/dbraw/zinc/06/51/25/854065125.db2.gz CRKPEQMFPGATSL-LIRRHRJNSA-N -1 0 408.479 4.192 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000237629987 854065155 /nfs/dbraw/zinc/06/51/55/854065155.db2.gz AGSDNQNBSRDZLH-KKSFZXQISA-N -1 0 402.450 4.131 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000237631617 854065737 /nfs/dbraw/zinc/06/57/37/854065737.db2.gz NKDMSKAWIXCUSI-LIRRHRJNSA-N -1 0 408.479 4.192 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](CC(=O)Nc2ccccc2CC(=O)[O-])c2ccccc2)cc1 ZINC000237636108 854065939 /nfs/dbraw/zinc/06/59/39/854065939.db2.gz SGGWCXQPTJNBJD-QFIPXVFZSA-N -1 0 416.477 4.122 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(CCC(=O)[O-])C3CC3)cc12 ZINC000237653339 854069152 /nfs/dbraw/zinc/06/91/52/854069152.db2.gz YHIFJBHQUTYXQU-UHFFFAOYSA-N -1 0 403.891 4.128 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237667512 854072332 /nfs/dbraw/zinc/07/23/32/854072332.db2.gz YOYLECPSFBQYCB-UHFFFAOYSA-N -1 0 406.847 4.010 20 0 HIADRM Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237674981 854073009 /nfs/dbraw/zinc/07/30/09/854073009.db2.gz RFGCTYWYLTZXBF-UHFFFAOYSA-N -1 0 406.847 4.010 20 0 HIADRM Cc1cccc(C[C@@H](CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C(=O)[O-])c1 ZINC000237676338 854073351 /nfs/dbraw/zinc/07/33/51/854073351.db2.gz RCFXYTMPYUVYSH-ZDUSSCGKSA-N -1 0 405.281 4.456 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000237678929 854074429 /nfs/dbraw/zinc/07/44/29/854074429.db2.gz QGPYYXDSSFLQCM-PIGZYNQJSA-N -1 0 402.244 4.387 20 0 HIADRM Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000237684399 854075023 /nfs/dbraw/zinc/07/50/23/854075023.db2.gz PBSFFWRKEKLRJK-OAQYLSRUSA-N -1 0 402.450 4.193 20 0 HIADRM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000237681808 854075474 /nfs/dbraw/zinc/07/54/74/854075474.db2.gz PAZCBHXSUXEFSH-QHCPKHFHSA-N -1 0 400.519 4.231 20 0 HIADRM Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)cc2)n1 ZINC000237687008 854075956 /nfs/dbraw/zinc/07/59/56/854075956.db2.gz ZSQAWBRNVCBVGV-IBGZPJMESA-N -1 0 415.852 4.227 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)C(=O)[O-])c1 ZINC000237694887 854077013 /nfs/dbraw/zinc/07/70/13/854077013.db2.gz WOBYMVGOZCYRIQ-QRQLOZEOSA-N -1 0 405.416 4.177 20 0 HIADRM Cc1ccc(CC(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)s1 ZINC000237697469 854077987 /nfs/dbraw/zinc/07/79/87/854077987.db2.gz UKTJXVHKANJAMV-UHFFFAOYSA-N -1 0 409.389 4.140 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCCCCCCC(=O)[O-])cc2)c(C)c1Br ZINC000237707454 854079700 /nfs/dbraw/zinc/07/97/00/854079700.db2.gz XUBAFPXQSHCMFK-UHFFFAOYSA-N -1 0 422.323 4.017 20 0 HIADRM Cc1[nH]c2ccccc2c1CC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237708915 854079741 /nfs/dbraw/zinc/07/97/41/854079741.db2.gz LOLWSKNXIPSQDZ-HXUWFJFHSA-N -1 0 400.478 4.232 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000237705333 854080090 /nfs/dbraw/zinc/08/00/90/854080090.db2.gz VWMIYQMEPXASCT-UHFFFAOYSA-N -1 0 403.482 4.093 20 0 HIADRM Cn1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1-c1ccccc1Br ZINC000237711595 854081068 /nfs/dbraw/zinc/08/10/68/854081068.db2.gz AFHROZZRIJIJNB-AWEZNQCLSA-N -1 0 419.319 4.314 20 0 HIADRM Cc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c(F)c1 ZINC000237721603 854082859 /nfs/dbraw/zinc/08/28/59/854082859.db2.gz YYSLFUXCSFEWAY-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c12 ZINC000237720716 854083100 /nfs/dbraw/zinc/08/31/00/854083100.db2.gz OUMCGWQYVBARML-FQEVSTJZSA-N -1 0 401.422 4.062 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237726792 854083916 /nfs/dbraw/zinc/08/39/16/854083916.db2.gz OGTHQLUQODLUGP-UHFFFAOYSA-N -1 0 417.509 4.489 20 0 HIADRM Cc1nc(-c2cccs2)sc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237728388 854084659 /nfs/dbraw/zinc/08/46/59/854084659.db2.gz RIGQXNJPDRNJJY-OAHLLOKOSA-N -1 0 411.508 4.087 20 0 HIADRM 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O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000431451833 858622850 /nfs/dbraw/zinc/62/28/50/858622850.db2.gz ZWLZVORPACJVGH-UHFFFAOYSA-N -1 0 421.202 4.177 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000431463360 858628510 /nfs/dbraw/zinc/62/85/10/858628510.db2.gz HDGNISDBBPNSLP-UHFFFAOYSA-N -1 0 414.845 4.391 20 0 HIADRM CO[C@H](C)c1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)s1 ZINC000431463139 858628580 /nfs/dbraw/zinc/62/85/80/858628580.db2.gz GAZSCNROGSYCCD-CZUORRHYSA-N -1 0 404.532 4.402 20 0 HIADRM Cc1c(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cccc1-c1ccccn1 ZINC000431464619 858629457 /nfs/dbraw/zinc/62/94/57/858629457.db2.gz KSTHDIGPSGEMEB-UHFFFAOYSA-N -1 0 410.420 4.452 20 0 HIADRM CC(C)Cn1ncc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)c1C1CC1 ZINC000431516273 858652488 /nfs/dbraw/zinc/65/24/88/858652488.db2.gz FDAZCYOVGCJWMH-UHFFFAOYSA-N -1 0 403.529 4.321 20 0 HIADRM O=S(=O)(CCC1CCOCC1)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000431545287 858663753 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ICJLUWRJLVVNHE-SFHVURJKSA-N -1 0 423.494 4.282 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000431811579 858823608 /nfs/dbraw/zinc/82/36/08/858823608.db2.gz RAOVOCDOLABVPO-UHFFFAOYSA-N -1 0 408.401 4.294 20 0 HIADRM Cc1cc(-c2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])c3c(C)noc3n2)c(C)o1 ZINC000431812077 858823855 /nfs/dbraw/zinc/82/38/55/858823855.db2.gz QRYMOFHUZVHYPA-OAHLLOKOSA-N -1 0 411.458 4.268 20 0 HIADRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000431815337 858825301 /nfs/dbraw/zinc/82/53/01/858825301.db2.gz RLIXJGNCQDDHPE-SNVBAGLBSA-N -1 0 405.292 4.024 20 0 HIADRM O=C([O-])[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1ccc2ccccc2c1 ZINC000431862895 858843789 /nfs/dbraw/zinc/84/37/89/858843789.db2.gz ZVXOOKASCYJJKI-HXUWFJFHSA-N -1 0 421.478 4.216 20 0 HIADRM O=C(Cc1cncn1Cc1ccccc1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000431862487 858843896 /nfs/dbraw/zinc/84/38/96/858843896.db2.gz AXROJKNXEMNZEU-UHFFFAOYSA-N -1 0 420.694 4.234 20 0 HIADRM Cc1oc(-c2ccsc2)nc1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431869176 858847588 /nfs/dbraw/zinc/84/75/88/858847588.db2.gz IXHAWHJOZKNYAV-HXUWFJFHSA-N -1 0 406.463 4.349 20 0 HIADRM C[C@]1(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCCC[C@@H]1C(=O)[O-] ZINC000431888545 858856954 /nfs/dbraw/zinc/85/69/54/858856954.db2.gz XOGOBDDHNUHPRJ-VLIAUNLRSA-N -1 0 401.488 4.155 20 0 HIADRM C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431907486 858865195 /nfs/dbraw/zinc/86/51/95/858865195.db2.gz QCEKCTQQAIECCQ-VIFPVBQESA-N -1 0 418.327 4.068 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2ccc(Br)o2)cnn1-c1ccc(C)cc1 ZINC000431923091 858872031 /nfs/dbraw/zinc/87/20/31/858872031.db2.gz GXLLRTZAROGMTQ-UHFFFAOYSA-N -1 0 424.320 4.290 20 0 HIADRM COc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC1CCCC1 ZINC000431976764 858898771 /nfs/dbraw/zinc/89/87/71/858898771.db2.gz HCNXSIIJICLZMS-UHFFFAOYSA-N -1 0 419.424 4.022 20 0 HIADRM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000431979535 858899683 /nfs/dbraw/zinc/89/96/83/858899683.db2.gz DYVVTIZKRXNNNF-KGLIPLIRSA-N -1 0 400.500 4.028 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2c[nH]c3cccc(Br)c32)cc1)C(=O)[O-] ZINC000431979335 858899852 /nfs/dbraw/zinc/89/98/52/858899852.db2.gz CMZGQEMGUBEHNR-NSHDSACASA-N -1 0 401.260 4.446 20 0 HIADRM Cc1nc(-c2cccs2)sc1C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000431981107 858900616 /nfs/dbraw/zinc/90/06/16/858900616.db2.gz MGRXHTMQKOMSDO-UHFFFAOYSA-N -1 0 408.451 4.185 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1NC(=O)c1ccco1 ZINC000431983372 858903450 /nfs/dbraw/zinc/90/34/50/858903450.db2.gz VZSZYJGWTNOIIY-HNNXBMFYSA-N -1 0 406.438 4.356 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1)C(=O)[O-] ZINC000431985651 858904482 /nfs/dbraw/zinc/90/44/82/858904482.db2.gz HCSCCZGOKMOXCJ-CYBMUJFWSA-N -1 0 414.408 4.454 20 0 HIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000431991088 858909219 /nfs/dbraw/zinc/90/92/19/858909219.db2.gz IONWCSFLYBICMH-UHFFFAOYSA-N 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893937091 /nfs/dbraw/zinc/93/70/91/893937091.db2.gz DEGFDPQOVMSUML-VIFPVBQESA-N -1 0 404.717 4.207 20 0 HIADRM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc(-c2ccccn2)no1 ZINC000478782042 894057445 /nfs/dbraw/zinc/05/74/45/894057445.db2.gz GKAZYKGVBQPMSA-UHFFFAOYSA-N -1 0 401.810 4.300 20 0 HIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000478825708 894100280 /nfs/dbraw/zinc/10/02/80/894100280.db2.gz LGWQSFQBILCRJI-MSOLQXFVSA-N -1 0 408.281 4.219 20 0 HIADRM C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4ccc(OCC(=O)[O-])cc4)cc3c2C1 ZINC000478827179 894102673 /nfs/dbraw/zinc/10/26/73/894102673.db2.gz KUKNEVTZIFMIHQ-HNNXBMFYSA-N -1 0 406.482 4.028 20 0 HIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccccc1CCc1ccccc1 ZINC000478848765 894128771 /nfs/dbraw/zinc/12/87/71/894128771.db2.gz BRYRFVRMMJYKIF-UHFFFAOYSA-N -1 0 403.478 4.207 20 0 HIADRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])cc1F)Sc1ccc(Br)cc1 ZINC000478854604 894134167 /nfs/dbraw/zinc/13/41/67/894134167.db2.gz JAUWBMXWDSIWJX-JTQLQIEISA-N -1 0 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ZDAFMLMSNOLADY-FUHWJXTLSA-N -1 0 423.431 4.267 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)c2sc(C3CCCC3)nc2C)C(=O)[O-])cc1 ZINC000237048318 853956595 /nfs/dbraw/zinc/95/65/95/853956595.db2.gz AQNKKEXLLAVKKR-QGZVFWFLSA-N -1 0 416.543 4.181 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237130434 853969722 /nfs/dbraw/zinc/96/97/22/853969722.db2.gz HCIOZTROOQKSJI-HXUWFJFHSA-N -1 0 419.865 4.234 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)ccc21 ZINC000237134469 853970343 /nfs/dbraw/zinc/97/03/43/853970343.db2.gz QQRSLICUFGNPFW-NRFANRHFSA-N -1 0 408.498 4.159 20 0 HIADRM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237157585 853974641 /nfs/dbraw/zinc/97/46/41/853974641.db2.gz MVLKVPKYBAWFKO-INIZCTEOSA-N -1 0 404.260 4.133 20 0 HIADRM COc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237202686 853981161 /nfs/dbraw/zinc/98/11/61/853981161.db2.gz WAECSQCIYMAVLE-GOSISDBHSA-N -1 0 420.303 4.113 20 0 HIADRM COc1ccc([C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)c2ccc(F)cc2)cc1 ZINC000237254295 853991686 /nfs/dbraw/zinc/99/16/86/853991686.db2.gz MKMJENFDTITVBC-QHCPKHFHSA-N -1 0 407.441 4.371 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237266928 853993763 /nfs/dbraw/zinc/99/37/63/853993763.db2.gz UTKDAXQHIKZKRT-UHFFFAOYSA-N -1 0 417.387 4.170 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000237270095 853994303 /nfs/dbraw/zinc/99/43/03/853994303.db2.gz KMAZXYAMOQSUDD-FVQBIDKESA-N -1 0 422.308 4.165 20 0 HIADRM COc1ccc2c(CC(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)coc2c1 ZINC000237266257 853994531 /nfs/dbraw/zinc/99/45/31/853994531.db2.gz XEEVVBHVFVECLJ-UHFFFAOYSA-N -1 0 421.371 4.116 20 0 HIADRM COc1cc(C2(C(=O)N[C@@H](C)c3nc(C)c(C(=O)[O-])s3)CCCC2)ccc1C ZINC000237290102 853997972 /nfs/dbraw/zinc/99/79/72/853997972.db2.gz PTIDYXWXJURHIR-AWEZNQCLSA-N -1 0 402.516 4.156 20 0 HIADRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237322894 854006821 /nfs/dbraw/zinc/00/68/21/854006821.db2.gz QAEQKXJYZWODAB-GXTWGEPZSA-N -1 0 400.288 4.013 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc(-c3ccco3)nc3ccccc32)sc1C(=O)[O-] ZINC000237330627 854007673 /nfs/dbraw/zinc/00/76/73/854007673.db2.gz QLFXXTTYHHIZIL-GFCCVEGCSA-N -1 0 407.451 4.449 20 0 HIADRM COc1ccc(CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000237327724 854007723 /nfs/dbraw/zinc/00/77/23/854007723.db2.gz BCWGHLZFWYERIF-UHFFFAOYSA-N -1 0 418.808 4.079 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237333995 854008746 /nfs/dbraw/zinc/00/87/46/854008746.db2.gz LOACRLMHDJQCGN-KRWDZBQOSA-N -1 0 419.525 4.257 20 0 HIADRM C[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)C1CCCCC1 ZINC000237348236 854010313 /nfs/dbraw/zinc/01/03/13/854010313.db2.gz IQYMXJBQXMBFFP-GFCCVEGCSA-N -1 0 409.408 4.288 20 0 HIADRM COc1cccc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)oc21 ZINC000237350781 854011509 /nfs/dbraw/zinc/01/15/09/854011509.db2.gz CYYRFKTWOUDLKZ-UHFFFAOYSA-N -1 0 407.344 4.187 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Br)cc2C)cc1 ZINC000237352523 854011537 /nfs/dbraw/zinc/01/15/37/854011537.db2.gz VBCRVCCKIHANKD-MRXNPFEDSA-N -1 0 408.317 4.425 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)Cc1ccccc1Br)C(=O)[O-] ZINC000237355000 854012593 /nfs/dbraw/zinc/01/25/93/854012593.db2.gz XTJLYEJQLQFRNV-QWHCGFSZSA-N -1 0 422.344 4.375 20 0 HIADRM COc1cccc2cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Br)cc3)oc21 ZINC000237354479 854012961 /nfs/dbraw/zinc/01/29/61/854012961.db2.gz UWDBKONUPVCSEG-CQSZACIVSA-N -1 0 418.243 4.150 20 0 HIADRM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237361520 854013830 /nfs/dbraw/zinc/01/38/30/854013830.db2.gz DFTSLZHXOWTSEG-MRRJBJDNSA-N -1 0 421.419 4.383 20 0 HIADRM C[C@@]1(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CCCN(C(=O)c2ccccc2)C1 ZINC000237381190 854018449 /nfs/dbraw/zinc/01/84/49/854018449.db2.gz BYERFWSLRQWUDU-HSZRJFAPSA-N -1 0 422.506 4.481 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000237383981 854019468 /nfs/dbraw/zinc/01/94/68/854019468.db2.gz XVRQDVFFLTYJRE-XMMPIXPASA-N -1 0 406.482 4.099 20 0 HIADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237394793 854021872 /nfs/dbraw/zinc/02/18/72/854021872.db2.gz YQCXXANCYDNZBO-DYVFJYSZSA-N -1 0 412.324 4.209 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 ZINC000237413795 854026979 /nfs/dbraw/zinc/02/69/79/854026979.db2.gz FNBIFXZIIMTYNW-OAHLLOKOSA-N -1 0 401.513 4.114 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1 ZINC000237424081 854029928 /nfs/dbraw/zinc/02/99/28/854029928.db2.gz RZFWSPQOZBJUOI-HNNXBMFYSA-N -1 0 417.556 4.426 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000237426445 854030477 /nfs/dbraw/zinc/03/04/77/854030477.db2.gz ITVXHIUOPPCPIL-KRWDZBQOSA-N -1 0 415.902 4.193 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000237440776 854033477 /nfs/dbraw/zinc/03/34/77/854033477.db2.gz CDPLUDARTQIYAZ-IBGZPJMESA-N -1 0 421.522 4.029 20 0 HIADRM C[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237467981 854039056 /nfs/dbraw/zinc/03/90/56/854039056.db2.gz MXEIIIVBRYHPGN-KXBFYZLASA-N -1 0 420.465 4.254 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](C)[C@H](C)c3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481745 854042545 /nfs/dbraw/zinc/04/25/45/854042545.db2.gz GFWLHZNLIRGMDX-IRXDYDNUSA-N -1 0 419.525 4.428 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)/C=C/c2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000237485514 854043384 /nfs/dbraw/zinc/04/33/84/854043384.db2.gz CGRAUXQHTLSDIG-PLSXKVAHSA-N -1 0 400.500 4.362 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000237484703 854043417 /nfs/dbraw/zinc/04/34/17/854043417.db2.gz CHMHTXAWYSFXSS-LBPRGKRZSA-N -1 0 417.387 4.389 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237491204 854043861 /nfs/dbraw/zinc/04/38/61/854043861.db2.gz DXCKCJQXBCMSDQ-LLVKDONJSA-N -1 0 415.795 4.028 20 0 HIADRM COc1ccc2sc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c2c1 ZINC000237488460 854044140 /nfs/dbraw/zinc/04/41/40/854044140.db2.gz VJQZDLGQIZHAOL-SFHVURJKSA-N -1 0 408.479 4.125 20 0 HIADRM COc1ccc2sc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c2c1 ZINC000237488526 854044174 /nfs/dbraw/zinc/04/41/74/854044174.db2.gz VJQZDLGQIZHAOL-GOSISDBHSA-N -1 0 408.479 4.125 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237490243 854044490 /nfs/dbraw/zinc/04/44/90/854044490.db2.gz DQHMLUIWVOGTGU-MRVPVSSYSA-N -1 0 416.630 4.346 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCc1ccc(Br)s1)c1ccccc1 ZINC000237498628 854045384 /nfs/dbraw/zinc/04/53/84/854045384.db2.gz TYTPAOZHHBIIPW-YVEFUNNKSA-N -1 0 410.333 4.412 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)sc1C(=O)[O-] ZINC000237500996 854046237 /nfs/dbraw/zinc/04/62/37/854046237.db2.gz ZCZSZJAJGRJVHC-AWEZNQCLSA-N -1 0 424.526 4.231 20 0 HIADRM C[C@@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1ccccc1F ZINC000237503394 854046436 /nfs/dbraw/zinc/04/64/36/854046436.db2.gz DFDGEPGDSQABGX-LLVKDONJSA-N -1 0 421.350 4.471 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2oc3ccc(Br)cc3c2C)sc1C(=O)[O-] ZINC000237504919 854046531 /nfs/dbraw/zinc/04/65/31/854046531.db2.gz PBXDXINKSOCCGO-VIFPVBQESA-N -1 0 423.288 4.458 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1NC(=O)c1ccco1 ZINC000237535252 854051390 /nfs/dbraw/zinc/05/13/90/854051390.db2.gz SYYCJOSGCGBDKU-MGPUTAFESA-N -1 0 406.438 4.032 20 0 HIADRM Cc1cc(Br)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237545980 854051995 /nfs/dbraw/zinc/05/19/95/854051995.db2.gz QZAHYCWZHINORY-HNNXBMFYSA-N -1 0 414.658 4.496 20 0 HIADRM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237559430 854054479 /nfs/dbraw/zinc/05/44/79/854054479.db2.gz PVDQJSONMOFMOT-KRWDZBQOSA-N -1 0 423.538 4.043 20 0 HIADRM Cc1nc([C@H](C)NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)sc1C(=O)[O-] ZINC000237562688 854055116 /nfs/dbraw/zinc/05/51/16/854055116.db2.gz NLXCMHHDPJZJDJ-NSHDSACASA-N -1 0 412.433 4.468 20 0 HIADRM Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237568436 854056287 /nfs/dbraw/zinc/05/62/87/854056287.db2.gz QPHVFGUSSHQDDQ-CYBMUJFWSA-N -1 0 404.747 4.147 20 0 HIADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000237579890 854058619 /nfs/dbraw/zinc/05/86/19/854058619.db2.gz FGTZFWJNYBWCPE-DEOSSOPVSA-N -1 0 414.546 4.241 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000237593365 854059559 /nfs/dbraw/zinc/05/95/59/854059559.db2.gz USVXUOLGQKDCIG-IUCAKERBSA-N -1 0 403.287 4.101 20 0 HIADRM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1NC(=O)c1ccccc1F ZINC000237597411 854060688 /nfs/dbraw/zinc/06/06/88/854060688.db2.gz GYBILHQEQZHVPK-UHFFFAOYSA-N -1 0 406.413 4.015 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000237612602 854062894 /nfs/dbraw/zinc/06/28/94/854062894.db2.gz LQUHEEGACAGKGY-MRXNPFEDSA-N -1 0 401.260 4.185 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N([C@@H](C)c3ccco3)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237623497 854063643 /nfs/dbraw/zinc/06/36/43/854063643.db2.gz MSZZOWBLRMJXEZ-KRWDZBQOSA-N -1 0 421.497 4.465 20 0 HIADRM C[C@H](CN(C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000237618597 854063689 /nfs/dbraw/zinc/06/36/89/854063689.db2.gz MLZWXUIYUNNZFF-JYBNPQIESA-N -1 0 409.326 4.449 20 0 HIADRM C[C@@H](CNC(=O)c1ccc(C(=O)[O-])s1)Sc1ccc(Br)cc1 ZINC000237617683 854064074 /nfs/dbraw/zinc/06/40/74/854064074.db2.gz TVOBQVHOECUDRM-VIFPVBQESA-N -1 0 400.319 4.119 20 0 HIADRM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)C2)c1 ZINC000237631747 854066008 /nfs/dbraw/zinc/06/60/08/854066008.db2.gz PHRZDEFQKYSIHD-HNNXBMFYSA-N -1 0 414.889 4.146 20 0 HIADRM Cc1cc(C)cc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)c1 ZINC000237632979 854066068 /nfs/dbraw/zinc/06/60/68/854066068.db2.gz 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417.870 4.342 20 0 HIADRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000461964834 875090759 /nfs/dbraw/zinc/09/07/59/875090759.db2.gz LJBYCODSNYTBDR-HNNXBMFYSA-N -1 0 418.522 4.397 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cc2=O)cc1 ZINC000462042352 875154863 /nfs/dbraw/zinc/15/48/63/875154863.db2.gz XYQRPGYWYAEZDM-UHFFFAOYSA-N -1 0 405.454 4.158 20 0 HIADRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)C2)c(F)c1Cl ZINC000462286696 875410792 /nfs/dbraw/zinc/41/07/92/875410792.db2.gz HHFSOVRUJUDRRN-NEPJUHHUSA-N -1 0 408.898 4.070 20 0 HIADRM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)o1 ZINC000462314511 875434079 /nfs/dbraw/zinc/43/40/79/875434079.db2.gz FEFRXDCSSGXXFZ-ZDUSSCGKSA-N -1 0 411.829 4.180 20 0 HIADRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000462367480 875479418 /nfs/dbraw/zinc/47/94/18/875479418.db2.gz CKWCCQHDQURCML-QGZVFWFLSA-N -1 0 418.607 4.317 20 0 HIADRM 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422.388 4.167 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc4cccc(Br)c4n3)cc2=O)cc1 ZINC000465077558 878437785 /nfs/dbraw/zinc/43/77/85/878437785.db2.gz ZVMZEWNQZXDZBW-UHFFFAOYSA-N -1 0 423.270 4.037 20 0 HIADRM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000465086319 878449786 /nfs/dbraw/zinc/44/97/86/878449786.db2.gz UQBLIEXGAJJFCM-GASCZTMLSA-N -1 0 404.919 4.013 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CC[C@H](CC(C)C)C2)c1 ZINC000465300584 878744976 /nfs/dbraw/zinc/74/49/76/878744976.db2.gz MCZGYNAQFHGGTQ-QGZVFWFLSA-N -1 0 416.543 4.004 20 0 HIADRM Cc1nc(-c2ccc(NC(=O)NC[C@H](C)Oc3ccccc3Cl)cc2)cc(=O)[nH]1 ZINC000466168249 879870060 /nfs/dbraw/zinc/87/00/60/879870060.db2.gz PZVRAHJIMUGMPI-ZDUSSCGKSA-N -1 0 412.877 4.400 20 0 HIADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1C ZINC000466284810 880028525 /nfs/dbraw/zinc/02/85/25/880028525.db2.gz BLXXNPPSMPVPFG-UHFFFAOYSA-N -1 0 410.499 4.053 20 0 HIADRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCC(C)C)c(Cl)c1 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939709590 /nfs/dbraw/zinc/70/95/90/939709590.db2.gz LWSNUIUHCXDELK-UHFFFAOYSA-N -1 0 424.675 4.065 20 0 HIADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c2ccccc12 ZINC000542093640 939709700 /nfs/dbraw/zinc/70/97/00/939709700.db2.gz JTELWADYDOVYMT-UHFFFAOYSA-N -1 0 416.886 4.455 20 0 HIADRM CC(C)OCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000542119937 939721240 /nfs/dbraw/zinc/72/12/40/939721240.db2.gz LHDSKMUIXFZOLT-UHFFFAOYSA-N -1 0 414.531 4.048 20 0 HIADRM CC[C@](NC(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1)(C(=O)[O-])c1ccccc1 ZINC000576855691 939742369 /nfs/dbraw/zinc/74/23/69/939742369.db2.gz NUCQEQOSFWKOJI-QMHKHESXSA-N -1 0 414.502 4.233 20 0 HIADRM CC[C@@](NC(=O)N[C@@H](C)c1ccc(OC(C)C)c(OC)c1)(C(=O)[O-])c1ccccc1 ZINC000576855686 939742415 /nfs/dbraw/zinc/74/24/15/939742415.db2.gz NUCQEQOSFWKOJI-HJPURHCSSA-N -1 0 414.502 4.233 20 0 HIADRM O=C([O-])[C@H](NC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccsc1 ZINC000579190005 939760600 /nfs/dbraw/zinc/76/06/00/939760600.db2.gz 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Cc1cc([C@H](NC(=O)N[C@@H](C)c2ccc(OCC3CC3)c(F)c2)C(=O)[O-])ccc1F ZINC000580989833 939775382 /nfs/dbraw/zinc/77/53/82/939775382.db2.gz JJMOPDGNLJFXGS-RBZFPXEDSA-N -1 0 418.440 4.248 20 0 HIADRM COc1ccc([C@@H](NC(=O)NCC2(Sc3ccccc3)CC2)C(=O)[O-])cc1Cl ZINC000581229058 939776566 /nfs/dbraw/zinc/77/65/66/939776566.db2.gz REGGAFBEEDRWCG-QGZVFWFLSA-N -1 0 420.918 4.098 20 0 HIADRM COc1ccc([C@@H](NC(=O)Nc2cccc(CC(F)(F)F)c2)C(=O)[O-])cc1Cl ZINC000581229230 939777032 /nfs/dbraw/zinc/77/70/32/939777032.db2.gz TUGXIBNWFCBYDT-OAHLLOKOSA-N -1 0 416.783 4.401 20 0 HIADRM O=C([O-])[C@H](NC(=O)NCc1ccccc1OC(F)F)c1ccc2ccccc2c1 ZINC000581347132 939777424 /nfs/dbraw/zinc/77/74/24/939777424.db2.gz KBNPRPDJYFWYEL-GOSISDBHSA-N -1 0 400.381 4.066 20 0 HIADRM COc1ccc([C@@H](NC(=O)N[C@H](C)c2c(F)cccc2Cl)C(=O)[O-])cc1Cl ZINC000582599320 939785673 /nfs/dbraw/zinc/78/56/73/939785673.db2.gz MGZKMFWMTCNTDS-JDNHERCYSA-N -1 0 415.248 4.327 20 0 HIADRM COc1ccc([C@H](NC(=O)N[C@@H](C)c2c(F)cccc2Cl)C(=O)[O-])cc1Cl ZINC000582599319 939785702 /nfs/dbraw/zinc/78/57/02/939785702.db2.gz MGZKMFWMTCNTDS-FVMDXXJSSA-N -1 0 415.248 4.327 20 0 HIADRM C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(O)cc3)c2)C1 ZINC000582703995 939786357 /nfs/dbraw/zinc/78/63/57/939786357.db2.gz WOOYQRVMPACRDT-GQWLDOHISA-N -1 0 412.486 4.435 20 0 HIADRM O=C([O-])[C@H](NC(=O)N[C@@H]1CCCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000583602661 939792400 /nfs/dbraw/zinc/79/24/00/939792400.db2.gz WGADOOXPWOHHBH-NVXWUHKLSA-N -1 0 409.269 4.332 20 0 HIADRM C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N[C@@H](C(=O)[O-])c3cccc(O)c3)c2)C1 ZINC000583909661 939794333 /nfs/dbraw/zinc/79/43/33/939794333.db2.gz FXTIYXXMMFFCEL-IPHXSNPTSA-N -1 0 412.486 4.435 20 0 HIADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(CC(F)(F)F)c1)c1ccc(OC(F)F)cc1 ZINC000584758050 939799709 /nfs/dbraw/zinc/79/97/09/939799709.db2.gz ZGFKPPUWIXYJPB-AWEZNQCLSA-N -1 0 418.318 4.340 20 0 HIADRM COc1ccc(SCCC(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc1 ZINC000563738509 945275031 /nfs/dbraw/zinc/27/50/31/945275031.db2.gz IQWDOJIBLCTHOB-GOSISDBHSA-N -1 0 405.541 4.232 20 0 HIADRM O=C([O-])C1(NC(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CCCC1 ZINC000642236213 939825063 /nfs/dbraw/zinc/82/50/63/939825063.db2.gz NNNQEGQRDXRMCP-UHFFFAOYSA-N -1 0 421.280 4.373 20 0 HIADRM CN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000542502598 939833503 /nfs/dbraw/zinc/83/35/03/939833503.db2.gz KLAACCLFGHEROG-MRXNPFEDSA-N -1 0 415.415 4.226 20 0 HIADRM COc1ccc(-c2nc(CC(=O)Nc3ccc(C)cc3C(=O)[O-])cs2)cc1OC ZINC000542518080 939836060 /nfs/dbraw/zinc/83/60/60/939836060.db2.gz NHLCVRGHGGMSGP-UHFFFAOYSA-N -1 0 412.467 4.015 20 0 HIADRM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000542579688 939845879 /nfs/dbraw/zinc/84/58/79/939845879.db2.gz KSRBQBNNWOJULR-MNOVXSKESA-N -1 0 405.392 4.136 20 0 HIADRM C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)o1 ZINC000675978608 939863942 /nfs/dbraw/zinc/86/39/42/939863942.db2.gz RGMZVYLFBABUNA-MZKGEVEHSA-N -1 0 406.276 4.040 20 0 HIADRM C[C@@](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000675980071 939864569 /nfs/dbraw/zinc/86/45/69/939864569.db2.gz KHSFFQJPIKOQCJ-VWLOTQADSA-N -1 0 413.477 4.074 20 0 HIADRM CC[C@H]1C[C@@H](CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCO1 ZINC000542873521 939864614 /nfs/dbraw/zinc/86/46/14/939864614.db2.gz NPYZFYLZEPHPQD-IRXDYDNUSA-N -1 0 402.516 4.021 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000675980403 939864794 /nfs/dbraw/zinc/86/47/94/939864794.db2.gz QWYPQRJRCMOXAP-KPZWWZAWSA-N -1 0 408.317 4.046 20 0 HIADRM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000678988439 939869386 /nfs/dbraw/zinc/86/93/86/939869386.db2.gz VPHMTFXTVXQFKV-GOSISDBHSA-N -1 0 406.841 4.019 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000683310279 939870721 /nfs/dbraw/zinc/87/07/21/939870721.db2.gz SWPISGYUHRNXBP-LJQANCHMSA-N -1 0 420.412 4.280 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683319696 939871035 /nfs/dbraw/zinc/87/10/35/939871035.db2.gz RPLLDWFWRPMRCG-CYBMUJFWSA-N -1 0 412.364 4.318 20 0 HIADRM Cc1nc(-c2ccccc2)sc1CNC(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000684729118 939873758 /nfs/dbraw/zinc/87/37/58/939873758.db2.gz OPKWBINWAUOZNG-GOSISDBHSA-N -1 0 413.474 4.191 20 0 HIADRM C[C@H]1CC[C@]2(CCN(C(=O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)C2)C1 ZINC000542904251 939875554 /nfs/dbraw/zinc/87/55/54/939875554.db2.gz KGPMYXRWBQROMF-YWZLYKJASA-N -1 0 404.557 4.201 20 0 HIADRM C[C@@H]1CC[C@]2(CCN(C(=O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)C2)C1 ZINC000542904250 939875683 /nfs/dbraw/zinc/87/56/83/939875683.db2.gz KGPMYXRWBQROMF-QRWLVFNGSA-N -1 0 404.557 4.201 20 0 HIADRM CCc1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cc1C(=O)[O-] ZINC000542982736 939891397 /nfs/dbraw/zinc/89/13/97/939891397.db2.gz SWDFMOWJBXGOFT-UHFFFAOYSA-N -1 0 413.442 4.204 20 0 HIADRM O=S(=O)([N-]c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1Cl ZINC000543020770 939896678 /nfs/dbraw/zinc/89/66/78/939896678.db2.gz DFHRRDOUPFDTMO-UHFFFAOYSA-N -1 0 401.797 4.345 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2-c2nc(C3CC3)no2)c(C)c1F ZINC000543021571 939896750 /nfs/dbraw/zinc/89/67/50/939896750.db2.gz NXFSWHULCLVSQI-UHFFFAOYSA-N -1 0 417.462 4.179 20 0 HIADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C)n([C@@H](C)C3CC3)n2)s1 ZINC000543163206 939981960 /nfs/dbraw/zinc/98/19/60/939981960.db2.gz FGNQUQOZRIYREM-JTQLQIEISA-N -1 0 404.355 4.096 20 0 HIADRM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000543163684 939982618 /nfs/dbraw/zinc/98/26/18/939982618.db2.gz NGERIAXFYCXVCA-GFCCVEGCSA-N -1 0 417.405 4.007 20 0 HIADRM CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cc(OC)c(OC)cc3F)c2C1 ZINC000543446094 940065652 /nfs/dbraw/zinc/06/56/52/940065652.db2.gz YUFKKMKKJFRDTD-CQSZACIVSA-N -1 0 422.522 4.148 20 0 HIADRM C[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)Sc1ccc(Br)cc1 ZINC000543587139 940121628 /nfs/dbraw/zinc/12/16/28/940121628.db2.gz RVRYXEGSHGHTNY-QMMMGPOBSA-N -1 0 420.250 4.483 20 0 HIADRM CC(C)N1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1ccc(F)c(F)c1 ZINC000543606471 940128669 /nfs/dbraw/zinc/12/86/69/940128669.db2.gz LWXNGKJIAKDEFU-CRAIPNDOSA-N -1 0 414.374 4.042 20 0 HIADRM COc1cccc(-c2nc(=NC(=O)N3C[C@@H](C)C[C@H]3c3cccc(OC)c3)s[n-]2)c1 ZINC000543616119 940132528 /nfs/dbraw/zinc/13/25/28/940132528.db2.gz CCIMQDLJQZUDTE-LIRRHRJNSA-N -1 0 424.526 4.259 20 0 HIADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N1CCCN(c2ccccc2)CC1 ZINC000543659350 940152859 /nfs/dbraw/zinc/15/28/59/940152859.db2.gz YFYCYRBTGGTPMV-UHFFFAOYSA-N -1 0 413.934 4.025 20 0 HIADRM O=C([O-])c1coc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)c1 ZINC000543691983 940161189 /nfs/dbraw/zinc/16/11/89/940161189.db2.gz OKQMARREKHXJKS-IBGZPJMESA-N -1 0 404.422 4.207 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)cc1Br ZINC000543699598 940163309 /nfs/dbraw/zinc/16/33/09/940163309.db2.gz ZRRSFAFYWAGOFX-UHFFFAOYSA-N -1 0 423.288 4.222 20 0 HIADRM Cc1c2cccc(Br)c2oc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000543854579 940210595 /nfs/dbraw/zinc/21/05/95/940210595.db2.gz GJDONLPPMFQPSQ-UHFFFAOYSA-N -1 0 415.272 4.091 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)c(C)c1F ZINC000543960806 940271717 /nfs/dbraw/zinc/27/17/17/940271717.db2.gz ZXSXFXFTJXHAJZ-UHFFFAOYSA-N -1 0 410.467 4.130 20 0 HIADRM CC(C)[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000544390307 940409190 /nfs/dbraw/zinc/40/91/90/940409190.db2.gz CCBLTFDLOBVQFE-GOSISDBHSA-N -1 0 406.276 4.118 20 0 HIADRM Cn1cccc1[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000544391034 940409801 /nfs/dbraw/zinc/40/98/01/940409801.db2.gz QGSUDIAMYQIAML-QGZVFWFLSA-N -1 0 418.419 4.303 20 0 HIADRM CN1CC[C@@H](CNC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544547993 940476616 /nfs/dbraw/zinc/47/66/16/940476616.db2.gz WNBXPIPIVQKDRE-DYZYQPBXSA-N -1 0 416.802 4.025 20 0 HIADRM CC[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)Oc1ccccc1C(F)(F)F ZINC000544558036 940478308 /nfs/dbraw/zinc/47/83/08/940478308.db2.gz IEZPIURIVHQVMJ-VIFPVBQESA-N -1 0 407.310 4.416 20 0 HIADRM COc1cccc(-c2nc(=NC(=O)N3CCC[C@H]3Cc3ccc(F)cc3)s[n-]2)c1 ZINC000544597107 940486973 /nfs/dbraw/zinc/48/69/73/940486973.db2.gz NVKLILNVSDBTQJ-KRWDZBQOSA-N -1 0 412.490 4.014 20 0 HIADRM CCOc1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2Cl)cc1C(=O)[O-] ZINC000544631889 940494990 /nfs/dbraw/zinc/49/49/90/940494990.db2.gz COTFWFBSROQUCA-UHFFFAOYSA-N -1 0 405.806 4.175 20 0 HIADRM Cc1ccccc1[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CCO1 ZINC000544637434 940496129 /nfs/dbraw/zinc/49/61/29/940496129.db2.gz GFHXKYSTUREHHO-KRWDZBQOSA-N -1 0 414.918 4.194 20 0 HIADRM COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3[O-])CCC(=O)N2C)cc1 ZINC000544814571 940516890 /nfs/dbraw/zinc/51/68/90/940516890.db2.gz AIELHRUYSDLXJI-KBXCAEBGSA-N -1 0 423.296 4.256 20 0 HIADRM CCc1ccc(S(=O)(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1C(=O)[O-] ZINC000544935215 940526583 /nfs/dbraw/zinc/52/65/83/940526583.db2.gz IZHRHEWHXHKCSG-UGSOOPFHSA-N 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-1 0 403.323 4.007 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000236628174 853905278 /nfs/dbraw/zinc/90/52/78/853905278.db2.gz DZLMVBIQDSJLOW-UHFFFAOYSA-N -1 0 400.456 4.378 20 0 HIADRM CC(C)c1ccc(-c2noc(CCC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000236654410 853908251 /nfs/dbraw/zinc/90/82/51/853908251.db2.gz CJAYDCYYIKQKEW-FHWLQOOXSA-N -1 0 411.502 4.037 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)c2ccc(OCC(C)C)cc2)sc1C(=O)[O-] ZINC000236662599 853909413 /nfs/dbraw/zinc/90/94/13/853909413.db2.gz VJPDMTIKOFUZQE-CQSZACIVSA-N -1 0 404.532 4.340 20 0 HIADRM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000236667316 853909473 /nfs/dbraw/zinc/90/94/73/853909473.db2.gz HKELPOMKOBUKAQ-UHFFFAOYSA-N -1 0 411.458 4.101 20 0 HIADRM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236711069 853914069 /nfs/dbraw/zinc/91/40/69/853914069.db2.gz ZNIKIKWIXHPFFA-UHFFFAOYSA-N -1 0 401.890 4.142 20 0 HIADRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000236705747 853914180 /nfs/dbraw/zinc/91/41/80/853914180.db2.gz TWWWXNIMYJUBEG-NRFANRHFSA-N -1 0 422.525 4.052 20 0 HIADRM CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236714704 853915468 /nfs/dbraw/zinc/91/54/68/853915468.db2.gz LDGKBGSXILKQRI-CYBMUJFWSA-N -1 0 414.365 4.423 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CC(=O)[O-])C(C)C)cc12 ZINC000236723063 853916416 /nfs/dbraw/zinc/91/64/16/853916416.db2.gz DFPJJKDRAZIEDS-UHFFFAOYSA-N -1 0 405.907 4.043 20 0 HIADRM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCCCCCCC(=O)[O-] ZINC000236734679 853917631 /nfs/dbraw/zinc/91/76/31/853917631.db2.gz IIOMIOGOJPVJGM-UHFFFAOYSA-N -1 0 408.502 4.444 20 0 HIADRM CC(C)CN(CCC(=O)[O-])C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000236761497 853920383 /nfs/dbraw/zinc/92/03/83/853920383.db2.gz PUGUIXSLSITQKS-UHFFFAOYSA-N -1 0 400.422 4.402 20 0 HIADRM CC(C)(C)n1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(-c2ccc(F)cc2F)n1 ZINC000236775252 853921186 /nfs/dbraw/zinc/92/11/86/853921186.db2.gz NSLFQGQKMCLKOX-AWEZNQCLSA-N -1 0 419.472 4.300 20 0 HIADRM CC(C)c1ccsc1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236816064 853925549 /nfs/dbraw/zinc/92/55/49/853925549.db2.gz KGZGFSHLMRLJES-UHFFFAOYSA-N -1 0 400.500 4.061 20 0 HIADRM CC(C)c1ccsc1C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000236816382 853925812 /nfs/dbraw/zinc/92/58/12/853925812.db2.gz AGWMILDBWJLXBW-KRWDZBQOSA-N -1 0 400.500 4.203 20 0 HIADRM CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000236817168 853926718 /nfs/dbraw/zinc/92/67/18/853926718.db2.gz ZUTQPKDNPVGKDB-OAHLLOKOSA-N -1 0 402.516 4.314 20 0 HIADRM CCC[C@](C)(NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000236819601 853926775 /nfs/dbraw/zinc/92/67/75/853926775.db2.gz LCRYCHKUYSLXBV-BLVKFPJESA-N -1 0 410.923 4.376 20 0 HIADRM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000236818425 853926916 /nfs/dbraw/zinc/92/69/16/853926916.db2.gz CKCWFUFRBLBGSR-UHFFFAOYSA-N -1 0 412.515 4.114 20 0 HIADRM CCC(CC)(CNC(=O)Cc1c(C)nn(-c2ccc(C)c(Cl)c2)c1C)C(=O)[O-] ZINC000236848437 853929195 /nfs/dbraw/zinc/92/91/95/853929195.db2.gz UUYKJMDBTCQVBV-UHFFFAOYSA-N -1 0 405.926 4.001 20 0 HIADRM CC(C)c1c(C(=O)Nc2cccc(OCC(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000236879498 853932244 /nfs/dbraw/zinc/93/22/44/853932244.db2.gz PALNMSGOVHKWNR-UHFFFAOYSA-N -1 0 413.861 4.365 20 0 HIADRM CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000236932807 853939267 /nfs/dbraw/zinc/93/92/67/853939267.db2.gz RTQVYSDAEFKLKG-VGOFRKELSA-N -1 0 422.525 4.392 20 0 HIADRM CC[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236935958 853940405 /nfs/dbraw/zinc/94/04/05/853940405.db2.gz OTHHBZBQFIJFKQ-LAUBAEHRSA-N -1 0 408.498 4.288 20 0 HIADRM CCN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000236959539 853942700 /nfs/dbraw/zinc/94/27/00/853942700.db2.gz JJAZMQKRBLMAGZ-UHFFFAOYSA-N -1 0 405.498 4.169 20 0 HIADRM CCc1ccc([C@@H](C)C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000236959747 853943476 /nfs/dbraw/zinc/94/34/76/853943476.db2.gz GOVDXGCKWKFPIJ-IIBYNOLFSA-N -1 0 408.498 4.071 20 0 HIADRM CC[C@@H](NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1)c1cccs1 ZINC000236980556 853946144 /nfs/dbraw/zinc/94/61/44/853946144.db2.gz VANKPHUZEGGECJ-LJQANCHMSA-N -1 0 411.527 4.449 20 0 HIADRM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)cc1 ZINC000236982808 853946203 /nfs/dbraw/zinc/94/62/03/853946203.db2.gz XRFAWLFPNOEPHY-QFIPXVFZSA-N -1 0 419.481 4.255 20 0 HIADRM CC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237022290 853952247 /nfs/dbraw/zinc/95/22/47/853952247.db2.gz HAXSHWIICLRLHB-HNNXBMFYSA-N -1 0 420.303 4.428 20 0 HIADRM CCn1cc(CC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c2ccccc21 ZINC000237018675 853952527 /nfs/dbraw/zinc/95/25/27/853952527.db2.gz XRPJYUNCEGILGH-UHFFFAOYSA-N -1 0 402.450 4.459 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)C(=O)[O-])cc1 ZINC000237026846 853953767 /nfs/dbraw/zinc/95/37/67/853953767.db2.gz SLKUNKJJWKBUNB-QFIPXVFZSA-N -1 0 417.505 4.277 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000237042406 853956409 /nfs/dbraw/zinc/95/64/09/853956409.db2.gz IVXYEEHFWGXSFB-PVAVHDDUSA-N -1 0 419.880 4.041 20 0 HIADRM COC[C@](C)(CC(=O)[O-])NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000237084270 853961848 /nfs/dbraw/zinc/96/18/48/853961848.db2.gz CXANTWLSKLQUGG-NRFANRHFSA-N -1 0 418.559 4.175 20 0 HIADRM CCc1cc(C)c(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)o1 ZINC000237114821 853966350 /nfs/dbraw/zinc/96/63/50/853966350.db2.gz QWRRTHIGJRVBOO-UHFFFAOYSA-N -1 0 407.348 4.305 20 0 HIADRM COC1CCN(c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2C(F)(F)F)CC1 ZINC000237139973 853971278 /nfs/dbraw/zinc/97/12/78/853971278.db2.gz PHQCFMSWBUCMIS-UHFFFAOYSA-N -1 0 416.440 4.150 20 0 HIADRM COc1ccccc1[C@@H](C)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237187528 853978732 /nfs/dbraw/zinc/97/87/32/853978732.db2.gz JFCDWKHIUQHPHH-UWJYYQICSA-N -1 0 405.494 4.402 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)Cc2csc3ccccc23)cc1 ZINC000237190709 853978941 /nfs/dbraw/zinc/97/89/41/853978941.db2.gz NSCPYXOTVFWUEW-UHFFFAOYSA-N -1 0 405.479 4.366 20 0 HIADRM COc1ccc(CCC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1Br ZINC000237196965 853979376 /nfs/dbraw/zinc/97/93/76/853979376.db2.gz FBUDNIJWULUZCA-UHFFFAOYSA-N -1 0 406.276 4.046 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000237262135 853992874 /nfs/dbraw/zinc/99/28/74/853992874.db2.gz DAPKHTNMVMEYRV-QGZVFWFLSA-N -1 0 401.528 4.018 20 0 HIADRM COc1ccc(CNC(=O)CCCc2cc(Cl)sc2Cl)cc1C(=O)[O-] ZINC000237279576 853995950 /nfs/dbraw/zinc/99/59/50/853995950.db2.gz VOKHLKOVSIEQCD-UHFFFAOYSA-N -1 0 402.299 4.401 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000237281576 853997117 /nfs/dbraw/zinc/99/71/17/853997117.db2.gz BCASTCXQVHPLAZ-OAHLLOKOSA-N -1 0 413.857 4.282 20 0 HIADRM COc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])cc2)c2c[nH]c3ccccc32)cc1 ZINC000237352544 854011275 /nfs/dbraw/zinc/01/12/75/854011275.db2.gz KENMHJYZHPPSHA-NRFANRHFSA-N -1 0 414.461 4.437 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Br)c(F)c2)cc1 ZINC000237352448 854011642 /nfs/dbraw/zinc/01/16/42/854011642.db2.gz JUOCBXXFNIOISV-OAHLLOKOSA-N -1 0 412.280 4.256 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)ccc2Br)cc1 ZINC000237361910 854014459 /nfs/dbraw/zinc/01/44/59/854014459.db2.gz KAFSQEPNWLGSBF-HNNXBMFYSA-N -1 0 412.280 4.256 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N1CCC(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC000237368785 854016482 /nfs/dbraw/zinc/01/64/82/854016482.db2.gz TZVNDZIQHSEGMF-OAHLLOKOSA-N -1 0 401.503 4.486 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000237384853 854019524 /nfs/dbraw/zinc/01/95/24/854019524.db2.gz HBXULKRQCPKFCA-XMMPIXPASA-N -1 0 406.482 4.146 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 ZINC000237407511 854025929 /nfs/dbraw/zinc/02/59/29/854025929.db2.gz KHBPNNODRXEGEF-GOSISDBHSA-N -1 0 410.495 4.328 20 0 HIADRM CSc1cccc(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c1 ZINC000237430606 854031732 /nfs/dbraw/zinc/03/17/32/854031732.db2.gz SKKNWEACNFAVHM-UHFFFAOYSA-N -1 0 409.511 4.481 20 0 HIADRM C[C@@H]1C[C@@H](CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)CC(C)(C)C1 ZINC000237479377 854042396 /nfs/dbraw/zinc/04/23/96/854042396.db2.gz NDZLEZNKABQRLS-SJORKVTESA-N -1 0 414.546 4.414 20 0 HIADRM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237478077 854042491 /nfs/dbraw/zinc/04/24/91/854042491.db2.gz AQPYTCKQBQXCJG-LBPRGKRZSA-N -1 0 420.918 4.288 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc2ccc(Br)cc2[nH]1)C(=O)[O-] ZINC000237492296 854044378 /nfs/dbraw/zinc/04/43/78/854044378.db2.gz KRGKWMIKDHNLOR-ZDUSSCGKSA-N -1 0 415.287 4.294 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)sc1C(=O)[O-] ZINC000237490915 854044443 /nfs/dbraw/zinc/04/44/43/854044443.db2.gz ISVXSCMAAXYONY-SSDOTTSWSA-N -1 0 403.685 4.057 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc(Cl)ccc2Br)sc1C(=O)[O-] ZINC000237500685 854046444 /nfs/dbraw/zinc/04/64/44/854046444.db2.gz UAWUPPLVKVYTME-SSDOTTSWSA-N -1 0 403.685 4.057 20 0 HIADRM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1)c1cccc(F)c1 ZINC000237509062 854047497 /nfs/dbraw/zinc/04/74/97/854047497.db2.gz RGPJCUIXANNKDU-SJCJKPOMSA-N -1 0 408.267 4.414 20 0 HIADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237525227 854049539 /nfs/dbraw/zinc/04/95/39/854049539.db2.gz ZNTOSIBMAOPTED-FZKQIMNGSA-N -1 0 422.294 4.489 20 0 HIADRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237525822 854050548 /nfs/dbraw/zinc/05/05/48/854050548.db2.gz QAEQKXJYZWODAB-TZMCWYRMSA-N -1 0 400.288 4.013 20 0 HIADRM COc1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000237530809 854050624 /nfs/dbraw/zinc/05/06/24/854050624.db2.gz YQORPLIVZHIRQP-HZPDHXFCSA-N -1 0 422.506 4.369 20 0 HIADRM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237537926 854051166 /nfs/dbraw/zinc/05/11/66/854051166.db2.gz WSQGJBFPZDIHRC-OLZOCXBDSA-N -1 0 422.344 4.375 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000237534304 854051317 /nfs/dbraw/zinc/05/13/17/854051317.db2.gz OPECJOBLHPFONY-APPDUMDISA-N -1 0 401.260 4.122 20 0 HIADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)c1ccccc1F ZINC000237533893 854051324 /nfs/dbraw/zinc/05/13/24/854051324.db2.gz MNVAYDIMXXKYSQ-YVEFUNNKSA-N -1 0 408.267 4.414 20 0 HIADRM C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1F ZINC000237571110 854056427 /nfs/dbraw/zinc/05/64/27/854056427.db2.gz CMUGOCFWSOQGMJ-QRWLVFNGSA-N -1 0 412.461 4.037 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2c(C)onc2-c2ccccc2Cl)sc1C(=O)[O-] ZINC000237578574 854057356 /nfs/dbraw/zinc/05/73/56/854057356.db2.gz KLKDWPNPWRVMAZ-VIFPVBQESA-N -1 0 405.863 4.258 20 0 HIADRM C[C@H]1Cc2ccccc2N1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237582907 854058103 /nfs/dbraw/zinc/05/81/03/854058103.db2.gz IKYZEYMXYRJKNM-LBPRGKRZSA-N -1 0 415.371 4.181 20 0 HIADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000237596663 854059518 /nfs/dbraw/zinc/05/95/18/854059518.db2.gz WRNFWTZYDGNRLP-HNNXBMFYSA-N -1 0 420.440 4.196 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCc2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000237584731 854059589 /nfs/dbraw/zinc/05/95/89/854059589.db2.gz WFQCJAQXGGJKBD-CQSZACIVSA-N -1 0 402.516 4.281 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000237599546 854060640 /nfs/dbraw/zinc/06/06/40/854060640.db2.gz QMVLSJPEOWWBQU-JTQLQIEISA-N -1 0 401.875 4.356 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 ZINC000237608850 854061510 /nfs/dbraw/zinc/06/15/10/854061510.db2.gz BFBPXAOVPULOAY-HNNXBMFYSA-N -1 0 403.438 4.458 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)sc1C(=O)[O-] ZINC000237627236 854064760 /nfs/dbraw/zinc/06/47/60/854064760.db2.gz 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C[C@@]1(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCCC[C@@H]1C(=O)[O-] ZINC000431888541 858856817 /nfs/dbraw/zinc/85/68/17/858856817.db2.gz XOGOBDDHNUHPRJ-JLTOFOAXSA-N -1 0 401.488 4.155 20 0 HIADRM C[C@]1(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCCC[C@H]1C(=O)[O-] ZINC000431888547 858857042 /nfs/dbraw/zinc/85/70/42/858857042.db2.gz XOGOBDDHNUHPRJ-XOBRGWDASA-N -1 0 401.488 4.155 20 0 HIADRM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000431977519 858898723 /nfs/dbraw/zinc/89/87/23/858898723.db2.gz NIBXSUITULGYNS-VIFPVBQESA-N -1 0 418.259 4.006 20 0 HIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000431982666 858902047 /nfs/dbraw/zinc/90/20/47/858902047.db2.gz SNYBAELBEGBJKN-UHFFFAOYSA-N -1 0 414.889 4.197 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)CC1CCC(C)(C)CC1)CC2 ZINC000431990115 858908221 /nfs/dbraw/zinc/90/82/21/858908221.db2.gz DMXRAIDTNIDAFN-SFHVURJKSA-N -1 0 403.519 4.211 20 0 HIADRM COc1ccc(CCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1Br ZINC000431993431 858910169 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Cc1nc(COc2cccc(C(=O)N[C@H](CCC(=O)[O-])Cc3ccccc3)c2)cs1 ZINC000432113277 858998261 /nfs/dbraw/zinc/99/82/61/858998261.db2.gz GDQZQAWPKHTUDL-LJQANCHMSA-N -1 0 424.522 4.236 20 0 HIADRM O=C([O-])c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)o1 ZINC000432117045 858999468 /nfs/dbraw/zinc/99/94/68/858999468.db2.gz OISLTBDWOHXJPF-UHFFFAOYSA-N -1 0 424.840 4.363 20 0 HIADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c(F)c1 ZINC000432122436 859001773 /nfs/dbraw/zinc/00/17/73/859001773.db2.gz MJZJERZOWMEEBG-SFHVURJKSA-N -1 0 409.417 4.331 20 0 HIADRM COc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)ccc1OC1CCCC1 ZINC000432123314 859002892 /nfs/dbraw/zinc/00/28/92/859002892.db2.gz UOPIHSGSKNDJSK-IBGZPJMESA-N -1 0 411.498 4.223 20 0 HIADRM C[C@@]1(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)CCCC[C@@H]1C(=O)[O-] ZINC000432124041 859003184 /nfs/dbraw/zinc/00/31/84/859003184.db2.gz XRDNLWYIPHBJAC-ZUOKHONESA-N -1 0 420.918 4.417 20 0 HIADRM Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 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ZINC000570071316 947085454 /nfs/dbraw/zinc/08/54/54/947085454.db2.gz AEYQIIYRZRGKOB-NRFANRHFSA-N -1 0 407.470 4.307 20 0 HIADRM Cc1cc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)ccc1OC(C)C ZINC000570236668 947158109 /nfs/dbraw/zinc/15/81/09/947158109.db2.gz PDDSNUYBSGGHOR-KRWDZBQOSA-N -1 0 408.401 4.331 20 0 HIADRM CCSc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1 ZINC000570269015 947177540 /nfs/dbraw/zinc/17/75/40/947177540.db2.gz XEMNNCPRWJTPNZ-YJYMSZOUSA-N -1 0 418.515 4.002 20 0 HIADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000570469198 947255984 /nfs/dbraw/zinc/25/59/84/947255984.db2.gz FCCKPJJBAVWMRB-OAHLLOKOSA-N -1 0 423.803 4.240 20 0 HIADRM CCC[C@H](CCCCNS(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000570511028 947273126 /nfs/dbraw/zinc/27/31/26/947273126.db2.gz XMFLWENGERBDRH-CYBMUJFWSA-N -1 0 416.590 4.130 20 0 HIADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCO2 ZINC000570780553 947356212 /nfs/dbraw/zinc/35/62/12/947356212.db2.gz 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COc1ccc([C@@H](NC(=O)NCc2ccc(C)cc2OC(C)C)C(=O)[O-])cc1Cl ZINC000571383599 947630938 /nfs/dbraw/zinc/63/09/38/947630938.db2.gz GCOYATCFKJGUKC-LJQANCHMSA-N -1 0 420.893 4.069 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)c(Cl)c1 ZINC000571510644 947689968 /nfs/dbraw/zinc/68/99/68/947689968.db2.gz FUBFQFDUHNYWHD-UHFFFAOYSA-N -1 0 417.918 4.349 20 0 HIADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Cc1ccccc1Cl ZINC000571544784 947694905 /nfs/dbraw/zinc/69/49/05/947694905.db2.gz ZBYVIMIJIJZRDS-IBGZPJMESA-N -1 0 411.933 4.122 20 0 HIADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1OC ZINC000571577452 947709981 /nfs/dbraw/zinc/70/99/81/947709981.db2.gz TYDOOHXZODFZEU-UHFFFAOYSA-N -1 0 404.875 4.220 20 0 HIADRM CCCOc1ccc([C@H](C)NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cc1OC ZINC000571597857 947723144 /nfs/dbraw/zinc/72/31/44/947723144.db2.gz NBSMZMJGYANETI-KKSFZXQISA-N -1 0 414.502 4.287 20 0 HIADRM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000571650990 947736655 /nfs/dbraw/zinc/73/66/55/947736655.db2.gz NFKWAJDLEHMUAL-UHFFFAOYSA-N -1 0 400.685 4.088 20 0 HIADRM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000571661946 947738443 /nfs/dbraw/zinc/73/84/43/947738443.db2.gz QLVJBLXPDXNLPA-UHFFFAOYSA-N -1 0 422.391 4.082 20 0 HIADRM COc1ccc(Br)c(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000571798846 947787307 /nfs/dbraw/zinc/78/73/07/947787307.db2.gz YOYDZFGTCUTOEK-UHFFFAOYSA-N -1 0 414.321 4.192 20 0 HIADRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C(C)C)ccc3Cl)o2)cc1 ZINC000571824905 947795542 /nfs/dbraw/zinc/79/55/42/947795542.db2.gz CEUDGKPWYLKSPD-UHFFFAOYSA-N -1 0 407.879 4.323 20 0 HIADRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CC/C=C\c3ccccc3)cc2)n1 ZINC000571838634 947800751 /nfs/dbraw/zinc/80/07/51/947800751.db2.gz ONTLXRSGFMWRHR-UITAMQMPSA-N -1 0 422.510 4.018 20 0 HIADRM Cc1nc(-c2ccccc2)sc1CNC(=O)N[C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC000571860953 947804913 /nfs/dbraw/zinc/80/49/13/947804913.db2.gz VCIOOWHUPFBHEM-IBGZPJMESA-N -1 0 409.511 4.360 20 0 HIADRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000571967318 947824965 /nfs/dbraw/zinc/82/49/65/947824965.db2.gz ZNDUBEXURCSNIQ-UHFFFAOYSA-N -1 0 412.298 4.126 20 0 HIADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C3CC3)nc3ccc(F)cc32)c1 ZINC000571977712 947825928 /nfs/dbraw/zinc/82/59/28/947825928.db2.gz MCVLZHCRPOXXDT-OAQYLSRUSA-N -1 0 408.429 4.206 20 0 HIADRM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000572075094 947839799 /nfs/dbraw/zinc/83/97/99/947839799.db2.gz ZOKYFOKIVSYWLR-CRICUBBOSA-N -1 0 418.493 4.003 20 0 HIADRM O=C([O-])[C@H](NC(=O)NCc1csc2ccccc12)c1ccc(Br)cc1 ZINC000572098048 947845230 /nfs/dbraw/zinc/84/52/30/947845230.db2.gz WMTHHVVFQGXNSD-MRXNPFEDSA-N -1 0 419.300 4.289 20 0 HIADRM CCCN(C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H](CC)C(=O)[O-] ZINC000572198070 947860514 /nfs/dbraw/zinc/86/05/14/947860514.db2.gz IHHANVKMIARJSQ-VKGTZQKMSA-N -1 0 402.516 4.102 20 0 HIADRM COc1ccc([C@@H](NC(=O)NCc2ccccc2OCC(C)C)C(=O)[O-])cc1Cl ZINC000572343197 947887260 /nfs/dbraw/zinc/88/72/60/947887260.db2.gz UYKAGZVNMJPYRZ-LJQANCHMSA-N -1 0 420.893 4.009 20 0 HIADRM COc1ccc([C@H](NC(=O)NCc2ccccc2OCC(C)C)C(=O)[O-])cc1Cl ZINC000572343196 947887473 /nfs/dbraw/zinc/88/74/73/947887473.db2.gz UYKAGZVNMJPYRZ-IBGZPJMESA-N -1 0 420.893 4.009 20 0 HIADRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cnn(CC(C)C)c3C3CC3)cc2)co1 ZINC000572437908 947904666 /nfs/dbraw/zinc/90/46/66/947904666.db2.gz XLLPPIYQOCAIQT-UHFFFAOYSA-N -1 0 400.504 4.181 20 0 HIADRM Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)c2)n1 ZINC000572573360 947952709 /nfs/dbraw/zinc/95/27/09/947952709.db2.gz LJDGLPMYOQUNJS-UHFFFAOYSA-N -1 0 400.456 4.074 20 0 HIADRM O=C([O-])c1sc2ccccc2c1S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000572690808 947990424 /nfs/dbraw/zinc/99/04/24/947990424.db2.gz MFIAZABNRIUVIR-UHFFFAOYSA-N -1 0 415.414 4.097 20 0 HIADRM Cc1ncsc1NC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000572773378 948006807 /nfs/dbraw/zinc/00/68/07/948006807.db2.gz NAHUPBLKKYOLHP-UHFFFAOYSA-N -1 0 407.904 4.158 20 0 HIADRM C[C@H](NC(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)c1ccc(OCC2CC2)c(F)c1 ZINC000572799247 948013871 /nfs/dbraw/zinc/01/38/71/948013871.db2.gz ZSMDEQWVSFZLRC-XOBRGWDASA-N -1 0 400.450 4.143 20 0 HIADRM CCOc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)cc1OCC ZINC000572914464 948038411 /nfs/dbraw/zinc/03/84/11/948038411.db2.gz RDKSSHAKULTNSJ-UHFFFAOYSA-N -1 0 407.536 4.015 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000572920544 948040539 /nfs/dbraw/zinc/04/05/39/948040539.db2.gz OBDXCJLSYKZGCH-XHDPSFHLSA-N -1 0 407.923 4.385 20 0 HIADRM COc1ccc([C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C2CC2)cc1 ZINC000572929523 948045064 /nfs/dbraw/zinc/04/50/64/948045064.db2.gz FYNDRTVXCYHJSX-KRWDZBQOSA-N -1 0 417.508 4.038 20 0 HIADRM CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000573028980 948064249 /nfs/dbraw/zinc/06/42/49/948064249.db2.gz RQPOSBGIPIFJCI-UHFFFAOYSA-N -1 0 410.421 4.093 20 0 HIADRM CCC(CC)CNC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000573130984 948082500 /nfs/dbraw/zinc/08/25/00/948082500.db2.gz CCICDIUJCCSSJQ-UHFFFAOYSA-N -1 0 419.547 4.362 20 0 HIADRM Cc1nc(-c2ccc(CCNC(=O)N(C)C3(C(=O)[O-])CCCCC3)s2)cs1 ZINC000573306607 948154267 /nfs/dbraw/zinc/15/42/67/948154267.db2.gz RIGSTBBOWKEZNY-UHFFFAOYSA-N -1 0 407.561 4.151 20 0 HIADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cc(F)ccc1F ZINC000573358352 948165444 /nfs/dbraw/zinc/16/54/44/948165444.db2.gz JFJHNKDBVDPTGF-QGZVFWFLSA-N -1 0 414.456 4.209 20 0 HIADRM O=C([O-])C[C@H](NC(=O)[C@@H]1CSc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000573469745 948209572 /nfs/dbraw/zinc/20/95/72/948209572.db2.gz JXAAGPQYGSQOFA-CABCVRRESA-N -1 0 411.401 4.107 20 0 HIADRM O=S(=O)([N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000573691819 948272596 /nfs/dbraw/zinc/27/25/96/948272596.db2.gz CBTJNZOMXLWIML-CYBMUJFWSA-N -1 0 423.338 4.164 20 0 HIADRM C[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000573783202 948298932 /nfs/dbraw/zinc/29/89/32/948298932.db2.gz SWRZFEJCVJZMIV-AUUYWEPGSA-N -1 0 407.495 4.092 20 0 HIADRM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1OC(F)F ZINC000573879928 948318890 /nfs/dbraw/zinc/31/88/90/948318890.db2.gz QWDLGXCYLIMNHP-LBPRGKRZSA-N -1 0 412.820 4.126 20 0 HIADRM COc1ccc([C@H](NC(=O)Nc2ccc(OC3CCCC3)cc2)C(=O)[O-])cc1F ZINC000573949042 948331714 /nfs/dbraw/zinc/33/17/14/948331714.db2.gz ZFGWGCOGUIZOMY-IBGZPJMESA-N -1 0 402.422 4.103 20 0 HIADRM O=S(=O)([N-]c1ncc(Cc2ccccc2F)s1)c1cccnc1C(F)(F)F ZINC000574235951 948393813 /nfs/dbraw/zinc/39/38/13/948393813.db2.gz VZAGKKMRTRXWDL-UHFFFAOYSA-N -1 0 417.409 4.088 20 0 HIADRM COc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1Cl ZINC000574260810 948399365 /nfs/dbraw/zinc/39/93/65/948399365.db2.gz ODGBPIJWGRPGCL-AWEZNQCLSA-N -1 0 413.655 4.059 20 0 HIADRM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cc1C ZINC000574373816 948428888 /nfs/dbraw/zinc/42/88/88/948428888.db2.gz XRLYJORNTDWXJT-UHFFFAOYSA-N -1 0 421.849 4.076 20 0 HIADRM COCc1ccccc1CS(=O)(=O)[N-]c1nc(C)c(Cc2cccc(C)c2)s1 ZINC000574432398 948439836 /nfs/dbraw/zinc/43/98/36/948439836.db2.gz SWABQYGGSJAYGN-UHFFFAOYSA-N -1 0 416.568 4.439 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000574710227 948508499 /nfs/dbraw/zinc/50/84/99/948508499.db2.gz YTKLKKDAQVJASL-KRWDZBQOSA-N -1 0 423.366 4.229 20 0 HIADRM CO[C@H](C)c1nc(=NC(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000574797076 948528940 /nfs/dbraw/zinc/52/89/40/948528940.db2.gz JRYCBUIPMYNHPH-HONMWMINSA-N -1 0 414.453 4.144 20 0 HIADRM O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000574992901 948570381 /nfs/dbraw/zinc/57/03/81/948570381.db2.gz QEFSJRCGSXEACS-OAHLLOKOSA-N -1 0 423.872 4.399 20 0 HIADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000575200444 948626364 /nfs/dbraw/zinc/62/63/64/948626364.db2.gz OPVBYQZBLZOFQY-BEFAXECRSA-N -1 0 400.523 4.255 20 0 HIADRM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000575821752 948724779 /nfs/dbraw/zinc/72/47/79/948724779.db2.gz FPLAEXOROYTNKU-WFASDCNBSA-N -1 0 400.397 4.314 20 0 HIADRM CC[C@@](NC(=O)CCc1nc2cc(Cl)ccc2s1)(C(=O)[O-])c1ccccc1 ZINC000575852493 948742356 /nfs/dbraw/zinc/74/23/56/948742356.db2.gz MHVPFGJVUDNRJS-FQEVSTJZSA-N -1 0 402.903 4.389 20 0 HIADRM Cc1ccc(Oc2ccccc2NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000575911772 948778938 /nfs/dbraw/zinc/77/89/38/948778938.db2.gz UWXIGBHMZJSZQM-UHFFFAOYSA-N -1 0 402.410 4.097 20 0 HIADRM O=S(=O)([N-]c1ccc(Cl)cc1-n1cccn1)c1c(Cl)ccc(F)c1F ZINC000575974930 948805645 /nfs/dbraw/zinc/80/56/45/948805645.db2.gz GWETZLJTCWFREI-UHFFFAOYSA-N -1 0 404.225 4.258 20 0 HIADRM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)Nc2cc(Cl)c([O-])cc2F)cc1 ZINC000576017312 948810153 /nfs/dbraw/zinc/81/01/53/948810153.db2.gz BHVYPTMSZBCWSL-SFHVURJKSA-N -1 0 421.900 4.346 20 0 HIADRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(OC)cc1Br ZINC000436014727 861306466 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CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236669224 853909635 /nfs/dbraw/zinc/90/96/35/853909635.db2.gz WBCDTTHOHQAEKH-AKGOGULSSA-N -1 0 424.541 4.080 20 0 HIADRM CC(C)n1cc(Br)cc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000236686798 853911411 /nfs/dbraw/zinc/91/14/11/853911411.db2.gz OZDCMBYZUPCDTD-CQSZACIVSA-N -1 0 407.308 4.195 20 0 HIADRM CC(C)(CNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)C(=O)[O-] ZINC000236725581 853916430 /nfs/dbraw/zinc/91/64/30/853916430.db2.gz RJONCHGALGDVEO-UHFFFAOYSA-N -1 0 401.459 4.460 20 0 HIADRM CC(=O)N[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1ccc(Cl)cc1 ZINC000236733741 853917389 /nfs/dbraw/zinc/91/73/89/853917389.db2.gz LKIJCXQSZXJIGL-MRXNPFEDSA-N -1 0 416.886 4.459 20 0 HIADRM CC1(C)CCC(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)CC1 ZINC000236741660 853918413 /nfs/dbraw/zinc/91/84/13/853918413.db2.gz PDIQKGWUZWGZHA-UHFFFAOYSA-N -1 0 409.408 4.288 20 0 HIADRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000236752643 853919209 /nfs/dbraw/zinc/91/92/09/853919209.db2.gz FZLHGIGASUMSSA-UHFFFAOYSA-N -1 0 424.291 4.194 20 0 HIADRM CC1=NN(c2ccc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)cc2)CC1 ZINC000236777944 853921574 /nfs/dbraw/zinc/92/15/74/853921574.db2.gz NTVFZDHWLDNKFO-GOSISDBHSA-N -1 0 403.841 4.011 20 0 HIADRM CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1ccccc1 ZINC000236800970 853924676 /nfs/dbraw/zinc/92/46/76/853924676.db2.gz KSTJYJUIEWCSAE-UHFFFAOYSA-N -1 0 403.360 4.256 20 0 HIADRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000236824209 853926593 /nfs/dbraw/zinc/92/65/93/853926593.db2.gz VBITZJXUDGYMBN-UGSOOPFHSA-N -1 0 402.878 4.126 20 0 HIADRM CCCCOCCN(C(=O)c1ccnc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC000236829511 853927586 /nfs/dbraw/zinc/92/75/86/853927586.db2.gz YSSYKWLSYDUUJF-UHFFFAOYSA-N -1 0 421.291 4.006 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)sc1C(=O)[O-] ZINC000236873784 853930819 /nfs/dbraw/zinc/93/08/19/853930819.db2.gz YLZLQKAKKRFHSZ-AWEZNQCLSA-N -1 0 412.515 4.258 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)sc1C(=O)[O-] ZINC000236873875 853931118 /nfs/dbraw/zinc/93/11/18/853931118.db2.gz AYMRBQXIZQGHMV-LBPRGKRZSA-N -1 0 416.478 4.089 20 0 HIADRM CCCOc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000236873374 853931372 /nfs/dbraw/zinc/93/13/72/853931372.db2.gz FCDAYAWTTZLPHO-KRWDZBQOSA-N -1 0 406.276 4.184 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C ZINC000236878436 853932028 /nfs/dbraw/zinc/93/20/28/853932028.db2.gz XLENJSRGLRTYEZ-UHFFFAOYSA-N -1 0 411.433 4.159 20 0 HIADRM CCN(CCc1ccccc1)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000236889714 853932953 /nfs/dbraw/zinc/93/29/53/853932953.db2.gz XDJKNSHPQPOZFO-UHFFFAOYSA-N -1 0 419.525 4.211 20 0 HIADRM CCC(CC)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC)C(=O)[O-] ZINC000236896669 853934057 /nfs/dbraw/zinc/93/40/57/853934057.db2.gz KKBBTWJHFZUWKQ-UHFFFAOYSA-N -1 0 421.497 4.169 20 0 HIADRM CCC(CC)(CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)C(=O)[O-] ZINC000236898008 853934077 /nfs/dbraw/zinc/93/40/77/853934077.db2.gz CPEPGKZYRNUCLJ-UHFFFAOYSA-N -1 0 417.815 4.165 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000236899008 853934090 /nfs/dbraw/zinc/93/40/90/853934090.db2.gz HABYHKMJWMLZNG-UHFFFAOYSA-N -1 0 401.390 4.056 20 0 HIADRM CCOc1ccccc1CCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000236909077 853935852 /nfs/dbraw/zinc/93/58/52/853935852.db2.gz ATFLJYLZXGPQFC-KRWDZBQOSA-N -1 0 420.303 4.113 20 0 HIADRM CCCc1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)sc1C ZINC000236959235 853942693 /nfs/dbraw/zinc/94/26/93/853942693.db2.gz CUHRRLAPWDTRQA-SFHVURJKSA-N -1 0 414.527 4.341 20 0 HIADRM CC[C@@H](C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000236972480 853944076 /nfs/dbraw/zinc/94/40/76/853944076.db2.gz VZTZEKQLQBRVHS-QGZVFWFLSA-N -1 0 422.403 4.042 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)C(C)(C)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000236992966 853948410 /nfs/dbraw/zinc/94/84/10/853948410.db2.gz ZIAQYNOEPMDSSH-MRXNPFEDSA-N -1 0 403.906 4.076 20 0 HIADRM CCc1ccc(-c2nc(CC(=O)N[C@@H](CC(=O)[O-])c3cccs3)cs2)cc1 ZINC000236997437 853949149 /nfs/dbraw/zinc/94/91/49/853949149.db2.gz AFBVAASUUDMXFI-INIZCTEOSA-N -1 0 400.525 4.309 20 0 HIADRM CCn1nc(C)c(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1Cl ZINC000237029604 853953539 /nfs/dbraw/zinc/95/35/39/853953539.db2.gz LKYBIDARPJTOBJ-UHFFFAOYSA-N -1 0 407.857 4.215 20 0 HIADRM CN(C(=O)c1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1)C1CCCCC1 ZINC000237040616 853955611 /nfs/dbraw/zinc/95/56/11/853955611.db2.gz HXBAZWDNWUCJNL-UHFFFAOYSA-N -1 0 408.498 4.361 20 0 HIADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237046651 853956791 /nfs/dbraw/zinc/95/67/91/853956791.db2.gz HCIOZTROOQKSJI-FQEVSTJZSA-N -1 0 419.865 4.234 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000237071846 853959768 /nfs/dbraw/zinc/95/97/68/853959768.db2.gz FPGTVOSXGLGMKR-UHFFFAOYSA-N -1 0 404.253 4.150 20 0 HIADRM Cc1ccc(CN(C)C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)s1 ZINC000237085994 853961984 /nfs/dbraw/zinc/96/19/84/853961984.db2.gz MKGJZOREGLKSNH-UHFFFAOYSA-N -1 0 411.527 4.148 20 0 HIADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000237117352 853966182 /nfs/dbraw/zinc/96/61/82/853966182.db2.gz PUXUEUWTHDULED-HNNXBMFYSA-N -1 0 409.813 4.183 20 0 HIADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000237110779 853966525 /nfs/dbraw/zinc/96/65/25/853966525.db2.gz YHVAYOAVHIWIJQ-KRWDZBQOSA-N -1 0 402.299 4.332 20 0 HIADRM COCc1c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc2cccc(F)c21 ZINC000237187037 853977353 /nfs/dbraw/zinc/97/73/53/853977353.db2.gz WJQOCJDTUDJKDZ-KZULUSFZSA-N -1 0 401.459 4.379 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237215774 853984343 /nfs/dbraw/zinc/98/43/43/853984343.db2.gz RLVIBMGTYRQGTD-YOEHRIQHSA-N -1 0 423.431 4.267 20 0 HIADRM Cc1noc(C)c1CN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000237243632 853989901 /nfs/dbraw/zinc/98/99/01/853989901.db2.gz BEMRFNMLPORVTG-UHFFFAOYSA-N -1 0 400.456 4.147 20 0 HIADRM COc1ccc([C@@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)C(C)C)cc1 ZINC000237262631 853993432 /nfs/dbraw/zinc/99/34/32/853993432.db2.gz FJHYHPRRTHRINN-NRFANRHFSA-N -1 0 407.470 4.015 20 0 HIADRM COc1ccc2c(CC(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)coc2c1 ZINC000237270611 853994216 /nfs/dbraw/zinc/99/42/16/853994216.db2.gz WILLIGHJWUAEPA-QGZVFWFLSA-N -1 0 405.809 4.109 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237265470 853994578 /nfs/dbraw/zinc/99/45/78/853994578.db2.gz NRJFBVQYBJUNSO-WMLDXEAASA-N -1 0 423.431 4.267 20 0 HIADRM COc1cccc([C@@H](C)CC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237279146 853995964 /nfs/dbraw/zinc/99/59/64/853995964.db2.gz FZAZNBQKWBBFRN-HTAPYJJXSA-N -1 0 405.494 4.402 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2ccc(COc3ccc(C)cc3C)o2)sc1C(=O)[O-] ZINC000237339640 854009402 /nfs/dbraw/zinc/00/94/02/854009402.db2.gz OJIQYADOUFNNLH-CQSZACIVSA-N -1 0 414.483 4.430 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 ZINC000237356741 854012699 /nfs/dbraw/zinc/01/26/99/854012699.db2.gz QRIFRRWMEHRFGW-FQEVSTJZSA-N -1 0 417.575 4.143 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2Br)cc1 ZINC000237358684 854013603 /nfs/dbraw/zinc/01/36/03/854013603.db2.gz ZZPVUSYDIGSNMV-INIZCTEOSA-N -1 0 408.317 4.046 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237376779 854017682 /nfs/dbraw/zinc/01/76/82/854017682.db2.gz NFRVCLXRKYTVRE-LLVKDONJSA-N -1 0 419.503 4.136 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)sc1C(=O)[O-] ZINC000237382221 854018479 /nfs/dbraw/zinc/01/84/79/854018479.db2.gz UGAAXZYNRDVKSG-CQSZACIVSA-N -1 0 424.526 4.014 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000237384427 854019560 /nfs/dbraw/zinc/01/95/60/854019560.db2.gz KUOKLROOMYPNBH-UHFFFAOYSA-N -1 0 406.482 4.290 20 0 HIADRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237390317 854020159 /nfs/dbraw/zinc/02/01/59/854020159.db2.gz JHVBFSLBJMAIHR-SNVBAGLBSA-N -1 0 412.433 4.463 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C4CC4)cc3)o2)cc1 ZINC000237391508 854021210 /nfs/dbraw/zinc/02/12/10/854021210.db2.gz UNVNBOHBZHCMIB-OAHLLOKOSA-N -1 0 405.454 4.037 20 0 HIADRM CSCc1nc2ccccc2n1CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237397921 854022178 /nfs/dbraw/zinc/02/21/78/854022178.db2.gz DDVPACWUMZSIQL-UHFFFAOYSA-N -1 0 411.508 4.451 20 0 HIADRM Cc1nc([C@H](C)NC(=O)Cc2csc(-c3ccc(C)cc3)n2)sc1C(=O)[O-] ZINC000237416960 854027472 /nfs/dbraw/zinc/02/74/72/854027472.db2.gz MWAKMBJUGSPQGH-LBPRGKRZSA-N -1 0 401.513 4.002 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000237414981 854027800 /nfs/dbraw/zinc/02/78/00/854027800.db2.gz UHWNGGIUFLKLFK-OAQYLSRUSA-N -1 0 423.538 4.216 20 0 HIADRM COc1ccc(-c2nc(C(=O)N(CCCC(=O)[O-])Cc3ccccc3)cs2)cc1 ZINC000237460163 854036629 /nfs/dbraw/zinc/03/66/29/854036629.db2.gz KGCNMKGVQLMTHN-UHFFFAOYSA-N -1 0 410.495 4.326 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](C)[C@@H](C)c3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481630 854042025 /nfs/dbraw/zinc/04/20/25/854042025.db2.gz GFWLHZNLIRGMDX-SJORKVTESA-N -1 0 419.525 4.428 20 0 HIADRM C[C@H](CCc1ccc(Br)cc1)NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237481459 854042172 /nfs/dbraw/zinc/04/21/72/854042172.db2.gz QDURTNXCFBHABE-CQSZACIVSA-N -1 0 404.304 4.217 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCc1cc(Br)cs1)C(=O)[O-] ZINC000237481095 854042409 /nfs/dbraw/zinc/04/24/09/854042409.db2.gz KCLZCNYQBDHNQE-ZDUSSCGKSA-N -1 0 410.333 4.193 20 0 HIADRM C[C@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1ccccc1 ZINC000237483453 854042931 /nfs/dbraw/zinc/04/29/31/854042931.db2.gz GTMXKDSPPVKITF-LBPRGKRZSA-N -1 0 403.360 4.080 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000237483918 854043522 /nfs/dbraw/zinc/04/35/22/854043522.db2.gz MJCXYRHHAINFTQ-SNVBAGLBSA-N -1 0 411.321 4.067 20 0 HIADRM C[C@@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1cccs1 ZINC000237503426 854046081 /nfs/dbraw/zinc/04/60/81/854046081.db2.gz CCMTXWCEOQEMHC-SNVBAGLBSA-N -1 0 409.389 4.393 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000237508117 854047314 /nfs/dbraw/zinc/04/73/14/854047314.db2.gz JQYONEIGBDHJQE-ORAYPTAESA-N -1 0 416.524 4.215 20 0 HIADRM C[C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237512474 854048559 /nfs/dbraw/zinc/04/85/59/854048559.db2.gz OSDAFQOLAMBJMV-DJJJIMSYSA-N -1 0 418.415 4.492 20 0 HIADRM Cc1ccc(OCc2nc(CC(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000237513735 854048739 /nfs/dbraw/zinc/04/87/39/854048739.db2.gz AEVFTKAKJXQVHS-KSFYIVLOSA-N -1 0 424.522 4.151 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1c[nH]c2cccc(Br)c21)c1ccccc1 ZINC000237523019 854049237 /nfs/dbraw/zinc/04/92/37/854049237.db2.gz AWHJDTZKAKWADH-APPDUMDISA-N -1 0 401.260 4.122 20 0 HIADRM COc1ccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1C(=O)[O-] ZINC000237532178 854050215 /nfs/dbraw/zinc/05/02/15/854050215.db2.gz JWJXRYZCBGJCQB-UHFFFAOYSA-N -1 0 402.406 4.132 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)Cc4ccccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237550348 854053422 /nfs/dbraw/zinc/05/34/22/854053422.db2.gz RMOIFQYTSOBLFA-INIZCTEOSA-N -1 0 417.509 4.345 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000237610380 854061524 /nfs/dbraw/zinc/06/15/24/854061524.db2.gz KNQZAMTWVIHFJZ-OAHLLOKOSA-N -1 0 402.516 4.295 20 0 HIADRM Cc1nc(C2CCCC2)sc1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237614732 854062489 /nfs/dbraw/zinc/06/24/89/854062489.db2.gz QJAWUZKSDZGFLY-UHFFFAOYSA-N -1 0 409.511 4.487 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCc2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000237619196 854063830 /nfs/dbraw/zinc/06/38/30/854063830.db2.gz WFQCJAQXGGJKBD-AWEZNQCLSA-N -1 0 402.516 4.281 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)COc2ccc3oc4c(c3c2)CCCC4)sc1C(=O)[O-] ZINC000237619148 854063925 /nfs/dbraw/zinc/06/39/25/854063925.db2.gz ZXPVQOPWDXYCFJ-GFCCVEGCSA-N -1 0 414.483 4.031 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccccc1 ZINC000237627279 854064723 /nfs/dbraw/zinc/06/47/23/854064723.db2.gz JVJXGWBISDQMHM-ZBEGNZNMSA-N -1 0 401.260 4.122 20 0 HIADRM Cc1c(NC(=O)c2ccc(C(=O)[O-])cc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000237633116 854065658 /nfs/dbraw/zinc/06/56/58/854065658.db2.gz WUYVKQKVRPIOFP-UHFFFAOYSA-N -1 0 420.490 4.206 20 0 HIADRM Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237639760 854066861 /nfs/dbraw/zinc/06/68/61/854066861.db2.gz UHTTWOMUUHGVBD-PGRDOPGGSA-N -1 0 404.510 4.388 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)s1 ZINC000237644234 854067098 /nfs/dbraw/zinc/06/70/98/854067098.db2.gz HWJRGBIMDMZBAF-GFCCVEGCSA-N -1 0 415.540 4.310 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc12 ZINC000237646124 854067724 /nfs/dbraw/zinc/06/77/24/854067724.db2.gz AXQCBAIMTBTLSH-SFHVURJKSA-N -1 0 409.442 4.090 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)cc12 ZINC000237655682 854068621 /nfs/dbraw/zinc/06/86/21/854068621.db2.gz QMVPCABTXWVEDS-IBGZPJMESA-N -1 0 403.891 4.032 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000237661200 854070683 /nfs/dbraw/zinc/07/06/83/854070683.db2.gz JUDRSEGYPSTFSU-INIZCTEOSA-N -1 0 401.260 4.185 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)c2cc(Cl)ccc2Br)C(=O)[O-])c1 ZINC000237673415 854073211 /nfs/dbraw/zinc/07/32/11/854073211.db2.gz GDIVTJBBEBTJSL-CYBMUJFWSA-N -1 0 410.695 4.084 20 0 HIADRM Cc1nc(CSc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])cc2)cs1 ZINC000237677368 854073890 /nfs/dbraw/zinc/07/38/90/854073890.db2.gz LTALGAJGTIVRTQ-FQEVSTJZSA-N -1 0 424.547 4.396 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccccc1 ZINC000237678825 854074026 /nfs/dbraw/zinc/07/40/26/854074026.db2.gz LRDCLXUNPIYYJA-BMLIUANNSA-N -1 0 419.250 4.261 20 0 HIADRM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000237684192 854075190 /nfs/dbraw/zinc/07/51/90/854075190.db2.gz SWSLQOUHEDCQGV-UHFFFAOYSA-N -1 0 404.781 4.158 20 0 HIADRM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)c12 ZINC000237710489 854080600 /nfs/dbraw/zinc/08/06/00/854080600.db2.gz NLEPSFBNZKBEIU-UHFFFAOYSA-N -1 0 409.348 4.427 20 0 HIADRM Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237717475 854082646 /nfs/dbraw/zinc/08/26/46/854082646.db2.gz SLFHTDBZOICEME-ZDUSSCGKSA-N -1 0 408.838 4.450 20 0 HIADRM Cc1sc(-c2ccco2)nc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237718344 854082766 /nfs/dbraw/zinc/08/27/66/854082766.db2.gz SLFHTDBZOICEME-CYBMUJFWSA-N -1 0 408.838 4.450 20 0 HIADRM Cn1c(C(=O)Nc2ccccc2CC(=O)[O-])ccc1-c1ccccc1Br ZINC000237727590 854084946 /nfs/dbraw/zinc/08/49/46/854084946.db2.gz VXUNBXWXIXOYRY-UHFFFAOYSA-N -1 0 413.271 4.334 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237737703 854086753 /nfs/dbraw/zinc/08/67/53/854086753.db2.gz YZNSMHGLBVFIAU-KRWDZBQOSA-N -1 0 412.442 4.004 20 0 HIADRM Cc1cccc2c(CC(=O)N[C@H](CC(=O)[O-])c3ccc(Br)cc3)c[nH]c21 ZINC000237758516 854089871 /nfs/dbraw/zinc/08/98/71/854089871.db2.gz KOERFYFJNVDEAC-QGZVFWFLSA-N -1 0 415.287 4.114 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000237754880 854089907 /nfs/dbraw/zinc/08/99/07/854089907.db2.gz ZLRHQMHWMIIZPO-UHFFFAOYSA-N -1 0 414.845 4.338 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccccc1 ZINC000237761932 854090655 /nfs/dbraw/zinc/09/06/55/854090655.db2.gz RBLNGCSFSFMWSD-ACJLOTCBSA-N -1 0 417.387 4.083 20 0 HIADRM Cc1nc(CSc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)cs1 ZINC000237770679 854092640 /nfs/dbraw/zinc/09/26/40/854092640.db2.gz PSGXGWWOQMXPIP-LJQANCHMSA-N -1 0 412.536 4.170 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H](C(=O)[O-])c4ccccc4)cc3)o2)cc1 ZINC000237774744 854095102 /nfs/dbraw/zinc/09/51/02/854095102.db2.gz RLUBQVJBUJMJNZ-HXUWFJFHSA-N -1 0 413.433 4.268 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)NCc4cccc(C(=O)[O-])c4)cc3)o2)cc1 ZINC000237774698 854095258 /nfs/dbraw/zinc/09/52/58/854095258.db2.gz MKLLSLOBKYYWII-UHFFFAOYSA-N -1 0 413.433 4.340 20 0 HIADRM Cc1cc(F)cc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)c1 ZINC000237783175 854097064 /nfs/dbraw/zinc/09/70/64/854097064.db2.gz JLYOBWGHWZCEQB-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237788719 854097302 /nfs/dbraw/zinc/09/73/02/854097302.db2.gz VPGUZEHIOOONRN-ILXRZTDVSA-N -1 0 408.317 4.255 20 0 HIADRM Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)ccc1C(=O)[O-] ZINC000237843657 854106485 /nfs/dbraw/zinc/10/64/85/854106485.db2.gz MEEFDUOGVJQWJW-UHFFFAOYSA-N -1 0 418.222 4.033 20 0 HIADRM Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])sc1C ZINC000237872719 854111458 /nfs/dbraw/zinc/11/14/58/854111458.db2.gz ANPCWZZEMPTZQL-HNNXBMFYSA-N -1 0 421.316 4.034 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cc12 ZINC000237921451 854120058 /nfs/dbraw/zinc/12/00/58/854120058.db2.gz NYTLPNMGELGQMR-DZGCQCFKSA-N -1 0 417.918 4.091 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC(=O)[O-])C3CC3)cc12 ZINC000237927582 854120952 /nfs/dbraw/zinc/12/09/52/854120952.db2.gz UKLDQQCGQUUBGP-UHFFFAOYSA-N -1 0 417.918 4.187 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000237942030 854122721 /nfs/dbraw/zinc/12/27/21/854122721.db2.gz DMGDWSCSPHHBGN-INIZCTEOSA-N -1 0 413.207 4.179 20 0 HIADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000237943319 854122763 /nfs/dbraw/zinc/12/27/63/854122763.db2.gz SZSGMJPWMYFXPU-OALUTQOASA-N -1 0 416.315 4.446 20 0 HIADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000237950223 854123615 /nfs/dbraw/zinc/12/36/15/854123615.db2.gz JXDKXDTZDVZOID-UHFFFAOYSA-N -1 0 415.287 4.438 20 0 HIADRM O=C([O-])/C=C/c1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000237948081 854123705 /nfs/dbraw/zinc/12/37/05/854123705.db2.gz HYWZHNVUZIKEGM-JOZWUWCOSA-N -1 0 419.403 4.053 20 0 HIADRM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1 ZINC000237955517 854124463 /nfs/dbraw/zinc/12/44/63/854124463.db2.gz LLVJSBFLACLHGI-KPKJPENVSA-N -1 0 406.463 4.028 20 0 HIADRM O=C([O-])c1cnn(-c2ccc(NC(=O)CSc3ccccc3)cc2)c1C(F)(F)F ZINC000237951652 854124522 /nfs/dbraw/zinc/12/45/22/854124522.db2.gz AXUVZYRBHJMLQN-UHFFFAOYSA-N -1 0 421.400 4.320 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1cccc(OC2CCCC2)c1 ZINC000237960097 854125371 /nfs/dbraw/zinc/12/53/71/854125371.db2.gz GODHWTWJBNJNII-QHCPKHFHSA-N -1 0 420.509 4.234 20 0 HIADRM O=C([O-])c1cnn(-c2cccc(NC(=O)CCc3cccs3)c2)c1C(F)(F)F ZINC000237958020 854125525 /nfs/dbraw/zinc/12/55/25/854125525.db2.gz FPDVRPVHEIOSFT-UHFFFAOYSA-N -1 0 409.389 4.222 20 0 HIADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000237970112 854127533 /nfs/dbraw/zinc/12/75/33/854127533.db2.gz JHVFWIVGXUOICP-UHFFFAOYSA-N -1 0 421.478 4.119 20 0 HIADRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000237969644 854127594 /nfs/dbraw/zinc/12/75/94/854127594.db2.gz LZQYDVSOLFNAOD-XJABCFGWSA-N -1 0 417.509 4.202 20 0 HIADRM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000237977324 854128587 /nfs/dbraw/zinc/12/85/87/854128587.db2.gz REZXUXYMPCZURX-FQEVSTJZSA-N -1 0 417.509 4.315 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000237977185 854128858 /nfs/dbraw/zinc/12/88/58/854128858.db2.gz VUQPCGZNRITQIX-JTQLQIEISA-N -1 0 411.163 4.166 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000237987434 854129448 /nfs/dbraw/zinc/12/94/48/854129448.db2.gz GDJXIPFYLIHQLV-AWEZNQCLSA-N -1 0 416.193 4.414 20 0 HIADRM O=C([O-])c1cc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)n(-c2ccccc2)n1 ZINC000237992695 854129634 /nfs/dbraw/zinc/12/96/34/854129634.db2.gz 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C[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000431518591 858653651 /nfs/dbraw/zinc/65/36/51/858653651.db2.gz LIXWQQDAZCGMPL-WFASDCNBSA-N -1 0 420.918 4.223 20 0 HIADRM O=C([O-])CCc1ccc(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000431526696 858657283 /nfs/dbraw/zinc/65/72/83/858657283.db2.gz VWNANPHNGKRSJG-UHFFFAOYSA-N -1 0 415.799 4.212 20 0 HIADRM Cc1ccc([C@H](CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)C(=O)[O-])cc1 ZINC000431531183 858658419 /nfs/dbraw/zinc/65/84/19/858658419.db2.gz JGJSWYOJFINVAM-UTKZUKDTSA-N -1 0 418.493 4.137 20 0 HIADRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000431538543 858661663 /nfs/dbraw/zinc/66/16/63/858661663.db2.gz NCYRAZMWIAVCKV-LLVKDONJSA-N -1 0 411.424 4.167 20 0 HIADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCc3ccc(C(=O)[O-])o3)cc12 ZINC000431546862 858664318 /nfs/dbraw/zinc/66/43/18/858664318.db2.gz RFNSKDKQGDMLDM-UHFFFAOYSA-N -1 0 415.858 4.270 20 0 HIADRM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1c(Cl)cccc1Br ZINC000431626550 858698075 /nfs/dbraw/zinc/69/80/75/858698075.db2.gz WIGIBCINPCWQNC-GFCCVEGCSA-N -1 0 410.667 4.387 20 0 HIADRM Cc1cc(-c2cc(C(=O)NC3(CC(=O)[O-])CCC3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000431645919 858708999 /nfs/dbraw/zinc/70/89/99/858708999.db2.gz SWVQXKFDGIJQEG-UHFFFAOYSA-N -1 0 410.474 4.016 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c12 ZINC000431654622 858715513 /nfs/dbraw/zinc/71/55/13/858715513.db2.gz JHPSNDNISKLGAT-UHFFFAOYSA-N -1 0 424.501 4.244 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2occc2-c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000431655449 858716829 /nfs/dbraw/zinc/71/68/29/858716829.db2.gz YJJSMSNQBYIEEI-KRWDZBQOSA-N -1 0 411.429 4.158 20 0 HIADRM Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])c12 ZINC000431656863 858718355 /nfs/dbraw/zinc/71/83/55/858718355.db2.gz DFACAILOTISVGD-LHSJRXKWSA-N -1 0 415.449 4.390 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3cccc(OCC(=O)[O-])c3)c12 ZINC000431658967 858719052 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416.886 4.411 20 0 HIADRM O=C([O-])[C@@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1ccc(Cl)c(F)c1 ZINC000431770447 858804322 /nfs/dbraw/zinc/80/43/22/858804322.db2.gz SMFQJQCPRLIAEP-KRWDZBQOSA-N -1 0 423.227 4.002 20 0 HIADRM Cc1cc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc(C)c1OCc1cccnc1 ZINC000431774150 858805770 /nfs/dbraw/zinc/80/57/70/858805770.db2.gz RBXPJPHPDFDOPA-JOCHJYFZSA-N -1 0 416.477 4.102 20 0 HIADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)c21 ZINC000431776904 858806692 /nfs/dbraw/zinc/80/66/92/858806692.db2.gz UUGLVXPPLWBCCI-QGZVFWFLSA-N -1 0 405.454 4.048 20 0 HIADRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000431776196 858806752 /nfs/dbraw/zinc/80/67/52/858806752.db2.gz NIAMKCLTGFYTAK-SFHVURJKSA-N -1 0 405.281 4.219 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(Cl)c(F)c1 ZINC000431775801 858806778 /nfs/dbraw/zinc/80/67/78/858806778.db2.gz ZEJPYHKGXCYGTJ-GOSISDBHSA-N -1 0 400.793 4.222 20 0 HIADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(ccc4ccccc34)[nH]2)c(OC)c1 ZINC000431782834 858809316 /nfs/dbraw/zinc/80/93/16/858809316.db2.gz HBPIIXOOEPEMBP-HXUWFJFHSA-N -1 0 418.449 4.284 20 0 HIADRM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000431785474 858810752 /nfs/dbraw/zinc/81/07/52/858810752.db2.gz ODVUJQKBAMIHKG-GOSISDBHSA-N -1 0 422.378 4.071 20 0 HIADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000431787074 858811709 /nfs/dbraw/zinc/81/17/09/858811709.db2.gz UURZPRAUZYRYLQ-KRWDZBQOSA-N -1 0 402.299 4.332 20 0 HIADRM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1-c1ccc(Cl)cc1Cl ZINC000431796869 858815995 /nfs/dbraw/zinc/81/59/95/858815995.db2.gz VKLVHKXZLPUQDF-CYBMUJFWSA-N -1 0 410.301 4.205 20 0 HIADRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCCc2cccc(C(=O)[O-])c2)c1 ZINC000431799254 858817775 /nfs/dbraw/zinc/81/77/75/858817775.db2.gz KNHKYKQWHICYKJ-UHFFFAOYSA-N -1 0 416.905 4.385 20 0 HIADRM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000431806110 858821000 /nfs/dbraw/zinc/82/10/00/858821000.db2.gz ZKCZPVBBFREMBP-CQSZACIVSA-N -1 0 410.301 4.347 20 0 HIADRM Cc1cc(F)ccc1-n1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000431808883 858821980 /nfs/dbraw/zinc/82/19/80/858821980.db2.gz KXQOCPFRVHTYPY-QGZVFWFLSA-N -1 0 419.815 4.058 20 0 HIADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c(Br)c1 ZINC000431812250 858823527 /nfs/dbraw/zinc/82/35/27/858823527.db2.gz KVWQUMXKSXZLGD-OAHLLOKOSA-N -1 0 414.658 4.496 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccc2ccccc2c1 ZINC000431865486 858845803 /nfs/dbraw/zinc/84/58/03/858845803.db2.gz QTRNWXONMAQCRT-NRFANRHFSA-N -1 0 414.417 4.241 20 0 HIADRM Cc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1NC(=O)c1ccccc1F ZINC000431872612 858849239 /nfs/dbraw/zinc/84/92/39/858849239.db2.gz ZPFITOSOVAOCNT-UHFFFAOYSA-N -1 0 412.461 4.151 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000431972316 858895545 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COc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000432061506 858960114 /nfs/dbraw/zinc/96/01/14/858960114.db2.gz JJVMOZFBGITUTR-UHFFFAOYSA-N -1 0 417.405 4.034 20 0 HIADRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432063980 858961802 /nfs/dbraw/zinc/96/18/02/858961802.db2.gz RRGXXCURWDZEEO-UHFFFAOYSA-N -1 0 401.406 4.114 20 0 HIADRM CC(C)[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])CCO1 ZINC000432088402 858979716 /nfs/dbraw/zinc/97/97/16/858979716.db2.gz JFTFDARGTULAAZ-WMLDXEAASA-N -1 0 403.500 4.204 20 0 HIADRM CCOc1ccc(Cl)cc1CCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000432097521 858986713 /nfs/dbraw/zinc/98/67/13/858986713.db2.gz JLMXMCVVEVVNFB-CYBMUJFWSA-N -1 0 407.919 4.276 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000432108063 858995642 /nfs/dbraw/zinc/99/56/42/858995642.db2.gz MIXKOZUEFQRXRE-NJAFHUGGSA-N -1 0 421.415 4.281 20 0 HIADRM O=C([O-])c1ccccc1CCC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1 ZINC000432109070 858995736 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CCO[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C12CCC2 ZINC000485755114 901011863 /nfs/dbraw/zinc/01/18/63/901011863.db2.gz UQYGKEPYJZNPPC-MOPGFXCFSA-N -1 0 415.511 4.348 20 0 HIADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1csc(-c2ccc(C)cc2C)n1 ZINC000485762539 901019282 /nfs/dbraw/zinc/01/92/82/901019282.db2.gz JEWQQFPBRRDEQR-MRXNPFEDSA-N -1 0 404.532 4.016 20 0 HIADRM O=C([O-])CSCc1cccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c1 ZINC000485790612 901042071 /nfs/dbraw/zinc/04/20/71/901042071.db2.gz GYOQKUKEWFQDOL-UHFFFAOYSA-N -1 0 419.930 4.345 20 0 HIADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)s1 ZINC000485798719 901050409 /nfs/dbraw/zinc/05/04/09/901050409.db2.gz GFWZOOJAMMCNGD-UHFFFAOYSA-N -1 0 422.963 4.496 20 0 HIADRM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000485801417 901051956 /nfs/dbraw/zinc/05/19/56/901051956.db2.gz XRBIEKMHGINTSO-ZDUSSCGKSA-N -1 0 418.540 4.082 20 0 HIADRM CC(C)(C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000485805877 901055218 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ZINC000147651122 853591822 /nfs/dbraw/zinc/59/18/22/853591822.db2.gz DLPNLKNHOFEEGA-HXUWFJFHSA-N -1 0 413.477 4.194 20 0 HIADRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC000147770568 853594165 /nfs/dbraw/zinc/59/41/65/853594165.db2.gz PZGASZIGOBAKGP-PKOBYXMFSA-N -1 0 413.477 4.038 20 0 HIADRM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1Cl ZINC000148497313 853607952 /nfs/dbraw/zinc/60/79/52/853607952.db2.gz IQBIOXCPSDATLC-LBPRGKRZSA-N -1 0 421.931 4.088 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000213724221 853827265 /nfs/dbraw/zinc/82/72/65/853827265.db2.gz FZMBCCHHQUCUJP-KTKRTIGZSA-N -1 0 414.820 4.333 20 0 HIADRM O=C([O-])c1ccc(NC(=O)c2cc(Br)sc2Br)cc1 ZINC000224719241 853879577 /nfs/dbraw/zinc/87/95/77/853879577.db2.gz CSIWEYXQSCHXLC-UHFFFAOYSA-N -1 0 405.067 4.224 20 0 HIADRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000236585221 853900411 /nfs/dbraw/zinc/90/04/11/853900411.db2.gz CLSMYDMSNKOFJQ-UHFFFAOYSA-N -1 0 401.850 4.159 20 0 HIADRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000236593276 853900850 /nfs/dbraw/zinc/90/08/50/853900850.db2.gz RPYGDLHFXJVQEF-GOSISDBHSA-N -1 0 402.878 4.270 20 0 HIADRM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000236601976 853901430 /nfs/dbraw/zinc/90/14/30/853901430.db2.gz MLKWIKVRMZCBOW-UHFFFAOYSA-N -1 0 403.548 4.045 20 0 HIADRM Cc1ccc(-n2nc(C(=O)Nc3cc(C(=O)[O-])ccc3OC(C)C)c3c2CCC3)cc1 ZINC000236646251 853907322 /nfs/dbraw/zinc/90/73/22/853907322.db2.gz ARTUKSJBOGEEFG-UHFFFAOYSA-N -1 0 419.481 4.407 20 0 HIADRM Cc1cc(-c2cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000236707623 853914240 /nfs/dbraw/zinc/91/42/40/853914240.db2.gz LPQVVYWKKODVGS-GOSISDBHSA-N -1 0 414.531 4.197 20 0 HIADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)c(C)n1C(C)C ZINC000236708848 853914531 /nfs/dbraw/zinc/91/45/31/853914531.db2.gz HCKHHJPPWYNVGC-KRWDZBQOSA-N -1 0 407.308 4.394 20 0 HIADRM CC(C)(C)c1nc(CC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cs1 ZINC000236719016 853914997 /nfs/dbraw/zinc/91/49/97/853914997.db2.gz QQOWSZYHGRELAI-SFHVURJKSA-N -1 0 410.539 4.196 20 0 HIADRM Cc1ccc(-c2cc(C(=O)NCCCCCC(=O)[O-])c3cnn(C(C)C)c3n2)s1 ZINC000236734404 853917417 /nfs/dbraw/zinc/91/74/17/853917417.db2.gz BKCYNJUBNOPSLM-UHFFFAOYSA-N -1 0 414.531 4.424 20 0 HIADRM CC(C)N(CCC(=O)[O-])C(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236744335 853918657 /nfs/dbraw/zinc/91/86/57/853918657.db2.gz KADQZIURUAIWSB-CYBMUJFWSA-N -1 0 410.923 4.328 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(CCC(=O)[O-])CC(C)C)cc12 ZINC000236764836 853920619 /nfs/dbraw/zinc/92/06/19/853920619.db2.gz YIOBCWMPJCQHMS-UHFFFAOYSA-N -1 0 403.479 4.107 20 0 HIADRM CCCCS[C@@H](C)C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000236778906 853922184 /nfs/dbraw/zinc/92/21/84/853922184.db2.gz ZGNDEQVPNYPHEQ-NSHDSACASA-N -1 0 415.437 4.450 20 0 HIADRM CC(C)(CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236802000 853924833 /nfs/dbraw/zinc/92/48/33/853924833.db2.gz LKIWRIMYKSLGMB-HXUWFJFHSA-N -1 0 408.498 4.072 20 0 HIADRM CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000236816888 853926781 /nfs/dbraw/zinc/92/67/81/853926781.db2.gz ZUTQPKDNPVGKDB-HNNXBMFYSA-N -1 0 402.516 4.314 20 0 HIADRM CCCc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)s1 ZINC000236935477 853939497 /nfs/dbraw/zinc/93/94/97/853939497.db2.gz BXKZSAQGTZCGIM-ZDUSSCGKSA-N -1 0 411.321 4.112 20 0 HIADRM CCSc1ccc([C@@H](C)NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)cc1 ZINC000236945821 853941394 /nfs/dbraw/zinc/94/13/94/853941394.db2.gz JESDUKVBRHVEQP-CQSZACIVSA-N -1 0 409.511 4.482 20 0 HIADRM CC[C@H](C)[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000236966603 853944071 /nfs/dbraw/zinc/94/40/71/853944071.db2.gz IBCVQMHXCNLMPY-HXPMCKFVSA-N -1 0 412.490 4.118 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000237000298 853949270 /nfs/dbraw/zinc/94/92/70/853949270.db2.gz HJUGQJUCXKWLGK-LLVKDONJSA-N -1 0 402.299 4.127 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCSc1ccccc1Br ZINC000237024046 853952404 /nfs/dbraw/zinc/95/24/04/853952404.db2.gz IUIBMMMCIAYOQC-UHFFFAOYSA-N -1 0 408.317 4.288 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2sc(-c3ccccc3)nc2C)C(=O)[O-])cc1 ZINC000237038598 853955511 /nfs/dbraw/zinc/95/55/11/853955511.db2.gz RXNXYGXYGOBATP-SFHVURJKSA-N -1 0 424.522 4.191 20 0 HIADRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000237053813 853957793 /nfs/dbraw/zinc/95/77/93/853957793.db2.gz PAVMESMCQWGWAH-AWEZNQCLSA-N -1 0 403.323 4.007 20 0 HIADRM CN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)C1CCCCCC1 ZINC000237059363 853958613 /nfs/dbraw/zinc/95/86/13/853958613.db2.gz WYGDHEMQHMGQCX-UHFFFAOYSA-N -1 0 409.408 4.384 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000237105168 853965588 /nfs/dbraw/zinc/96/55/88/853965588.db2.gz PZAACDJIOCNMEE-LJQANCHMSA-N -1 0 412.317 4.098 20 0 HIADRM COc1ccccc1C/C(C)=C/C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000237113692 853966388 /nfs/dbraw/zinc/96/63/88/853966388.db2.gz DMKIOKLGJONCCT-NTCAYCPXSA-N -1 0 421.415 4.316 20 0 HIADRM Cc1cc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)cc(C)c1OCC(=O)[O-] ZINC000237129153 853968935 /nfs/dbraw/zinc/96/89/35/853968935.db2.gz YLOXXBAAEFMUAW-UHFFFAOYSA-N -1 0 422.481 4.127 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)ccc21 ZINC000237134848 853970647 /nfs/dbraw/zinc/97/06/47/853970647.db2.gz QQRSLICUFGNPFW-OAQYLSRUSA-N -1 0 408.498 4.159 20 0 HIADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000237145981 853972490 /nfs/dbraw/zinc/97/24/90/853972490.db2.gz BSZQLELZQKQUSO-CHWSQXEVSA-N -1 0 400.283 4.036 20 0 HIADRM CN(CCC(=O)[O-])C(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC000237240996 853988537 /nfs/dbraw/zinc/98/85/37/853988537.db2.gz XXYYOGPMVHSHRB-UHFFFAOYSA-N -1 0 424.309 4.454 20 0 HIADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC000237256990 853992248 /nfs/dbraw/zinc/99/22/48/853992248.db2.gz BSZQLELZQKQUSO-QWHCGFSZSA-N -1 0 400.283 4.036 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)CC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000237262463 853993396 /nfs/dbraw/zinc/99/33/96/853993396.db2.gz FEKAHOMKLPCRPG-JOCHJYFZSA-N -1 0 417.505 4.277 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000237269881 853994206 /nfs/dbraw/zinc/99/42/06/853994206.db2.gz VQXVWGBQKSXRFS-KBRIMQKVSA-N -1 0 422.308 4.165 20 0 HIADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237287830 853998154 /nfs/dbraw/zinc/99/81/54/853998154.db2.gz FQEJULOQCJWXGC-MRXNPFEDSA-N -1 0 418.493 4.270 20 0 HIADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237327989 854007704 /nfs/dbraw/zinc/00/77/04/854007704.db2.gz DPKGMSNDBXOOGN-UGSOOPFHSA-N -1 0 422.294 4.489 20 0 HIADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237342436 854009386 /nfs/dbraw/zinc/00/93/86/854009386.db2.gz PLBJKMCGIOXFPR-GFCCVEGCSA-N -1 0 410.923 4.376 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237349778 854010404 /nfs/dbraw/zinc/01/04/04/854010404.db2.gz OLLUKQFCROFFKR-OLZOCXBDSA-N -1 0 400.338 4.033 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(Br)c2)cc1 ZINC000237347695 854010635 /nfs/dbraw/zinc/01/06/35/854010635.db2.gz USJDSEYXKCVCBK-MRXNPFEDSA-N -1 0 408.317 4.046 20 0 HIADRM C[C@@](Cc1nc2ccccc2s1)(C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000237362490 854014818 /nfs/dbraw/zinc/01/48/18/854014818.db2.gz LKVKQNVAQOTHJJ-DLYSWHJUSA-N -1 0 408.523 4.166 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1 ZINC000237376745 854017802 /nfs/dbraw/zinc/01/78/02/854017802.db2.gz SEMLNKGUGXYEGO-VLIAUNLRSA-N -1 0 419.481 4.400 20 0 HIADRM C[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1cccc(F)c1 ZINC000237383307 854018506 /nfs/dbraw/zinc/01/85/06/854018506.db2.gz QDEBFRPDBDUZQK-MGPUTAFESA-N -1 0 412.461 4.037 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000237383817 854019555 /nfs/dbraw/zinc/01/95/55/854019555.db2.gz GKFOEJLUBXREPR-KRWDZBQOSA-N -1 0 406.482 4.099 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)C(=O)[O-] ZINC000237398308 854023745 /nfs/dbraw/zinc/02/37/45/854023745.db2.gz OZZQQRAQOFLKKR-GOSISDBHSA-N -1 0 424.541 4.353 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 ZINC000237413139 854026673 /nfs/dbraw/zinc/02/66/73/854026673.db2.gz BZNRXYZQVZYQFH-GOSISDBHSA-N -1 0 413.499 4.058 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000237413259 854026707 /nfs/dbraw/zinc/02/67/07/854026707.db2.gz LDWKIKNHFYIWRZ-QGZVFWFLSA-N -1 0 415.540 4.218 20 0 HIADRM Cc1ccc(-n2nc(C(=O)N(Cc3ccccc3)C[C@@H](C)C(=O)[O-])c3c2CCC3)cc1 ZINC000237413837 854026714 /nfs/dbraw/zinc/02/67/14/854026714.db2.gz PVMAOVGEQMCNAK-GOSISDBHSA-N -1 0 417.509 4.033 20 0 HIADRM C[C@H](CCC(=O)[O-])NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC000237416381 854027900 /nfs/dbraw/zinc/02/79/00/854027900.db2.gz NPFSNMLAJJJWQV-CYBMUJFWSA-N -1 0 406.276 4.011 20 0 HIADRM C[C@H](CSc1ccc(F)cc1)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237439249 854033469 /nfs/dbraw/zinc/03/34/69/854033469.db2.gz CGFPJMTUSOWXNH-CYBMUJFWSA-N -1 0 412.486 4.318 20 0 HIADRM COc1ccc2c(CC(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])coc2c1 ZINC000237461253 854037226 /nfs/dbraw/zinc/03/72/26/854037226.db2.gz QMXAFMCBCCCUFE-LJQANCHMSA-N -1 0 417.461 4.197 20 0 HIADRM Cc1cc([C@H](C)NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c(C)o1 ZINC000237483119 854042939 /nfs/dbraw/zinc/04/29/39/854042939.db2.gz CCGFRXKFSVVSQE-NSHDSACASA-N -1 0 421.375 4.290 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(OCc2cscn2)c1)C(=O)[O-] ZINC000237493495 854044182 /nfs/dbraw/zinc/04/41/82/854044182.db2.gz APAHCJOVQQCWTL-INIZCTEOSA-N -1 0 410.495 4.085 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)sc1C(=O)[O-] ZINC000237488588 854044359 /nfs/dbraw/zinc/04/43/59/854044359.db2.gz CITTYVNBXYKIHC-MRVPVSSYSA-N -1 0 423.853 4.397 20 0 HIADRM Cc1cc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Br ZINC000237501740 854046286 /nfs/dbraw/zinc/04/62/86/854046286.db2.gz PMKAVWAGEWSWKE-IFXJQAMLSA-N -1 0 404.304 4.268 20 0 HIADRM C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000237525533 854049297 /nfs/dbraw/zinc/04/92/97/854049297.db2.gz BZZYIJSKJIVYMK-QMTHXVAHSA-N -1 0 400.233 4.232 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000237528117 854050263 /nfs/dbraw/zinc/05/02/63/854050263.db2.gz SJGIMRKAUQUCGV-GFCCVEGCSA-N -1 0 424.266 4.177 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000237531118 854050319 /nfs/dbraw/zinc/05/03/19/854050319.db2.gz LZESUNUZTKWCHH-GXSJLCMTSA-N -1 0 400.422 4.225 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237534138 854051332 /nfs/dbraw/zinc/05/13/32/854051332.db2.gz IJEFZIBGMAITLL-LBPRGKRZSA-N -1 0 408.317 4.287 20 0 HIADRM COc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237543650 854051937 /nfs/dbraw/zinc/05/19/37/854051937.db2.gz YXBAUTRWNASMKU-AKIFATBCSA-N -1 0 403.478 4.012 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H](C)CCC(=O)[O-])cc12 ZINC000237541906 854052654 /nfs/dbraw/zinc/05/26/54/854052654.db2.gz RWJCVZDMCFSYSC-NSHDSACASA-N -1 0 405.907 4.091 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N(C)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000237548503 854053624 /nfs/dbraw/zinc/05/36/24/854053624.db2.gz ZNQHXERKEQLTKL-ZDUSSCGKSA-N -1 0 422.344 4.329 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)sc1C(=O)[O-] ZINC000237559839 854054318 /nfs/dbraw/zinc/05/43/18/854054318.db2.gz YRFDNBOAITYBMY-CQSZACIVSA-N -1 0 408.479 4.180 20 0 HIADRM C[C@H](Sc1ccccc1Cl)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237567642 854056025 /nfs/dbraw/zinc/05/60/25/854056025.db2.gz OQGFNLOQHOCKFQ-HNNXBMFYSA-N -1 0 403.931 4.466 20 0 HIADRM C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1ccccc1F ZINC000237570937 854056089 /nfs/dbraw/zinc/05/60/89/854056089.db2.gz CMUGOCFWSOQGMJ-FOIQADDNSA-N -1 0 412.461 4.037 20 0 HIADRM Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237567230 854056133 /nfs/dbraw/zinc/05/61/33/854056133.db2.gz YALDZPDKOVMRQY-KRWDZBQOSA-N -1 0 416.399 4.235 20 0 HIADRM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000237567203 854056251 /nfs/dbraw/zinc/05/62/51/854056251.db2.gz LQTFDQUBIYAVDK-LLVKDONJSA-N -1 0 400.456 4.366 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237607179 854060520 /nfs/dbraw/zinc/06/05/20/854060520.db2.gz HPYBIXXWCQAXOX-KRWDZBQOSA-N -1 0 405.498 4.340 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCCCc2nc3ccccc3s2)sc1C(=O)[O-] ZINC000237597995 854060576 /nfs/dbraw/zinc/06/05/76/854060576.db2.gz JJBVNGOJJPRKGS-LBPRGKRZSA-N -1 0 403.529 4.350 20 0 HIADRM Cc1cc(CCC(=O)Nc2ccc(OCC(=O)[O-])cc2C)ccc1Br ZINC000237603357 854060626 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Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000237673972 854073112 /nfs/dbraw/zinc/07/31/12/854073112.db2.gz DIWYXMAEJMDASF-INIZCTEOSA-N -1 0 412.873 4.285 20 0 HIADRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000237693037 854077084 /nfs/dbraw/zinc/07/70/84/854077084.db2.gz HAOFARYUBCCUIW-LEWJYISDSA-N -1 0 417.509 4.198 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCCC(=O)[O-])cc12 ZINC000237696301 854078116 /nfs/dbraw/zinc/07/81/16/854078116.db2.gz LSIUBHSIDMSONY-UHFFFAOYSA-N -1 0 405.907 4.093 20 0 HIADRM Cc1ccc(CCC(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)o1 ZINC000237702645 854078715 /nfs/dbraw/zinc/07/87/15/854078715.db2.gz APZMZWVAWOGVOE-UHFFFAOYSA-N -1 0 407.348 4.062 20 0 HIADRM Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)c12 ZINC000237708505 854079820 /nfs/dbraw/zinc/07/98/20/854079820.db2.gz SLJNYPCNHXQYHJ-MRXNPFEDSA-N -1 0 417.824 4.147 20 0 HIADRM Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237709299 854080181 /nfs/dbraw/zinc/08/01/81/854080181.db2.gz LHRAROKNTPOXHK-SFHVURJKSA-N -1 0 415.287 4.114 20 0 HIADRM Cn1c2ccccc2c(Cl)c1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237710203 854080931 /nfs/dbraw/zinc/08/09/31/854080931.db2.gz VZEBRLBZKDCMAU-UHFFFAOYSA-N -1 0 406.816 4.227 20 0 HIADRM Cc1cc(CCCC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c(C)s1 ZINC000237726254 854083646 /nfs/dbraw/zinc/08/36/46/854083646.db2.gz KCEDXJSVLVRZTB-IBGZPJMESA-N -1 0 402.491 4.120 20 0 HIADRM Cc1c(Br)c2ccccc2n1CC(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237724018 854083666 /nfs/dbraw/zinc/08/36/66/854083666.db2.gz HTGJZSWYFVSRFC-CYBMUJFWSA-N -1 0 421.316 4.106 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCC[C@@]4(CC=CCC4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000237729919 854084695 /nfs/dbraw/zinc/08/46/95/854084695.db2.gz JPRLBXSKPQVXCI-VWLOTQADSA-N -1 0 421.541 4.469 20 0 HIADRM Cc1cc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237736396 854085607 /nfs/dbraw/zinc/08/56/07/854085607.db2.gz KMCUJIDNGRMXLX-HXUWFJFHSA-N -1 0 402.466 4.011 20 0 HIADRM Cc1cccc2[nH]cc(CC(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)c21 ZINC000237735890 854086019 /nfs/dbraw/zinc/08/60/19/854086019.db2.gz KDXPLSMQTIXBOA-UHFFFAOYSA-N -1 0 404.388 4.151 20 0 HIADRM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237740640 854086894 /nfs/dbraw/zinc/08/68/94/854086894.db2.gz WYVISRKWWHIUGZ-UHFFFAOYSA-N -1 0 420.918 4.480 20 0 HIADRM Cc1nn(-c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2)c(C)c1CCC(=O)[O-] ZINC000237737747 854087031 /nfs/dbraw/zinc/08/70/31/854087031.db2.gz OXRHPKAYPXXGPW-UHFFFAOYSA-N -1 0 414.465 4.307 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000237738622 854087061 /nfs/dbraw/zinc/08/70/61/854087061.db2.gz VHPMZDCNFBJTFZ-UHFFFAOYSA-N -1 0 412.442 4.327 20 0 HIADRM Cc1c(=O)c2cccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c2oc1-c1ccccc1 ZINC000237761132 854090849 /nfs/dbraw/zinc/09/08/49/854090849.db2.gz DWYKPSKNUUHISZ-KRWDZBQOSA-N -1 0 419.477 4.485 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000237776391 854094872 /nfs/dbraw/zinc/09/48/72/854094872.db2.gz KBJBGGWZAGNYBP-UHFFFAOYSA-N -1 0 402.859 4.488 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237777199 854095152 /nfs/dbraw/zinc/09/51/52/854095152.db2.gz HPTCUIVCDLOPDA-UHFFFAOYSA-N -1 0 414.458 4.206 20 0 HIADRM Cc1nc(-c2c[nH]c(C(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)c2)cs1 ZINC000237784381 854097021 /nfs/dbraw/zinc/09/70/21/854097021.db2.gz NCMROWQSVFNOQD-UHFFFAOYSA-N -1 0 423.416 4.192 20 0 HIADRM Cc1ccc2c(CC(=O)N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)coc2c1C ZINC000237783042 854097263 /nfs/dbraw/zinc/09/72/63/854097263.db2.gz AFRSAMOWGZVQRC-UHFFFAOYSA-N -1 0 402.450 4.357 20 0 HIADRM Cc1ccc(-n2ncc(C(=O)NCCc3ccc(C(=O)[O-])cc3)c2C2CC2)cc1Cl ZINC000237782813 854097307 /nfs/dbraw/zinc/09/73/07/854097307.db2.gz HCYQYOLZSWWHBV-UHFFFAOYSA-N -1 0 423.900 4.382 20 0 HIADRM Cc1csc(-c2cccc(C(=O)N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)c2)n1 ZINC000237791385 854097869 /nfs/dbraw/zinc/09/78/69/854097869.db2.gz HGOMVIMPNFZYRN-UHFFFAOYSA-N -1 0 417.490 4.497 20 0 HIADRM Cc1ccc(OCc2nc(CC(=O)Nc3ccc(CCC(=O)[O-])cc3)cs2)cc1 ZINC000237800480 854100233 /nfs/dbraw/zinc/10/02/33/854100233.db2.gz PORVIJVINCJDHD-UHFFFAOYSA-N -1 0 410.495 4.229 20 0 HIADRM Cc1cc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)ccc1C(=O)[O-] ZINC000237815472 854102304 /nfs/dbraw/zinc/10/23/04/854102304.db2.gz KJYKDNDILJMOOS-UHFFFAOYSA-N -1 0 415.449 4.261 20 0 HIADRM Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000237816184 854103049 /nfs/dbraw/zinc/10/30/49/854103049.db2.gz IGDJABQKNKWABB-YYWHXJBOSA-N -1 0 406.482 4.105 20 0 HIADRM Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c12 ZINC000237817432 854103326 /nfs/dbraw/zinc/10/33/26/854103326.db2.gz BDSTWFGEXYAAGG-UHFFFAOYSA-N -1 0 406.467 4.264 20 0 HIADRM Cc1cccc2c(CC(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)[O-])c[nH]c21 ZINC000237836243 854105353 /nfs/dbraw/zinc/10/53/53/854105353.db2.gz OTJITZZSHLZICQ-NRFANRHFSA-N 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418.375 4.000 20 0 HIADRM O=S(=O)([N-]c1cc(-c2ccc(Br)s2)[nH]n1)c1ccccc1Cl ZINC000303812858 855216145 /nfs/dbraw/zinc/21/61/45/855216145.db2.gz VOMZYQWAKIBILD-UHFFFAOYSA-N -1 0 418.725 4.355 20 0 HIADRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000303821784 855222436 /nfs/dbraw/zinc/22/24/36/855222436.db2.gz KDKDIZODUZDVFZ-UHFFFAOYSA-N -1 0 412.305 4.047 20 0 HIADRM O=C([O-])c1cc(I)cc(NC(=O)c2cccc(F)c2Cl)c1 ZINC000314178757 855375073 /nfs/dbraw/zinc/37/50/73/855375073.db2.gz MJIPHVCGDNUHGT-UHFFFAOYSA-N -1 0 419.577 4.034 20 0 HIADRM CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000314660691 855375844 /nfs/dbraw/zinc/37/58/44/855375844.db2.gz OAGRXNTYYCJXNA-UHFFFAOYSA-N -1 0 405.701 4.086 20 0 HIADRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)cs1 ZINC000314795165 855376958 /nfs/dbraw/zinc/37/69/58/855376958.db2.gz MEWLQUREBXYMOL-UHFFFAOYSA-N -1 0 405.339 4.013 20 0 HIADRM O=S(=O)([N-]c1ccc(Br)cc1C(F)(F)F)c1cccnc1Cl ZINC000315473642 855378121 /nfs/dbraw/zinc/37/81/21/855378121.db2.gz 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Cc1c(F)cccc1NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)[O-])c1 ZINC000322549587 855392533 /nfs/dbraw/zinc/39/25/33/855392533.db2.gz PTTKWOLROQWCCO-UHFFFAOYSA-N -1 0 422.659 4.049 20 0 HIADRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000323153703 855394693 /nfs/dbraw/zinc/39/46/93/855394693.db2.gz JFIXBOGRIHCAJE-UHFFFAOYSA-N -1 0 424.675 4.060 20 0 HIADRM O=S(=O)([N-]c1cccc(-n2ccnc2)c1)c1c(Cl)cccc1Br ZINC000323925242 855397609 /nfs/dbraw/zinc/39/76/09/855397609.db2.gz OUHBXWHCQWGCEG-UHFFFAOYSA-N -1 0 412.696 4.089 20 0 HIADRM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000324495103 855398358 /nfs/dbraw/zinc/39/83/58/855398358.db2.gz PODYSIZMASFXKO-MRVPVSSYSA-N -1 0 416.630 4.346 20 0 HIADRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Br)cc2)co1 ZINC000324689541 855399368 /nfs/dbraw/zinc/39/93/68/855399368.db2.gz SIIGEVFISNBVAP-UHFFFAOYSA-N -1 0 411.252 4.352 20 0 HIADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000325841996 855406558 /nfs/dbraw/zinc/40/65/58/855406558.db2.gz 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O=S(=O)([N-]c1cc(Cl)cc(C(F)(F)F)c1)c1cncc(Br)c1 ZINC000388770158 855448126 /nfs/dbraw/zinc/44/81/26/855448126.db2.gz GCXKBJHHKLEUEZ-UHFFFAOYSA-N -1 0 415.618 4.317 20 0 HIADRM Cc1ccc2cccc([N-]S(=O)(=O)c3cc(Br)cnc3Cl)c2n1 ZINC000390964383 855459041 /nfs/dbraw/zinc/45/90/41/855459041.db2.gz MCQSALMCINWZJE-UHFFFAOYSA-N -1 0 412.696 4.155 20 0 HIADRM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cnc(Cl)c(Cl)c1 ZINC000391296261 855459985 /nfs/dbraw/zinc/45/99/85/855459985.db2.gz UNQUYGKFEQPPHJ-UHFFFAOYSA-N -1 0 403.621 4.444 20 0 HIADRM CC(C)N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000391620171 855461238 /nfs/dbraw/zinc/46/12/38/855461238.db2.gz MHVUIGVYMZFCAC-UHFFFAOYSA-N -1 0 408.328 4.352 20 0 HIADRM O=C([O-])c1csc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000392133725 855463236 /nfs/dbraw/zinc/46/32/36/855463236.db2.gz LDUPATHYFWOFSI-UHFFFAOYSA-N -1 0 406.312 4.106 20 0 HIADRM Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000392783076 855466920 /nfs/dbraw/zinc/46/69/20/855466920.db2.gz GLYGWZZHOBLMKF-NSHDSACASA-N -1 0 402.299 4.348 20 0 HIADRM C[C@@H](Cc1ccccc1Cl)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000392911136 855466999 /nfs/dbraw/zinc/46/69/99/855466999.db2.gz SGFLGRZNNSNVCA-VIFPVBQESA-N -1 0 422.717 4.255 20 0 HIADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000409524257 855522862 /nfs/dbraw/zinc/52/28/62/855522862.db2.gz YFHLEUFNCLNSJQ-UHFFFAOYSA-N -1 0 404.488 4.185 20 0 HIADRM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000409535531 855529852 /nfs/dbraw/zinc/52/98/52/855529852.db2.gz NDSSUJCZOCNASA-UHFFFAOYSA-N -1 0 419.503 4.022 20 0 HIADRM Cc1nc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)sc1Cc1cccc(C)c1 ZINC000409540855 855533218 /nfs/dbraw/zinc/53/32/18/855533218.db2.gz JXPCDUHPAIEYBM-UHFFFAOYSA-N -1 0 424.551 4.337 20 0 HIADRM O=S(=O)([N-]c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cc(F)cc(F)c1 ZINC000409571601 855545853 /nfs/dbraw/zinc/54/58/53/855545853.db2.gz BLNXPOKSPNJJOH-CYBMUJFWSA-N -1 0 406.479 4.495 20 0 HIADRM COCc1cccc(S(=O)(=O)[N-]c2nc(C)c(Cc3cccc(C)c3)s2)c1 ZINC000409572934 855546881 /nfs/dbraw/zinc/54/68/81/855546881.db2.gz DRLBECWEGGCPCS-UHFFFAOYSA-N -1 0 402.541 4.298 20 0 HIADRM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1 ZINC000409575054 855547479 /nfs/dbraw/zinc/54/74/79/855547479.db2.gz PLWDZECTJHZFLJ-KRWDZBQOSA-N -1 0 412.536 4.419 20 0 HIADRM CCc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(C(F)(F)F)cc2)s1 ZINC000409584099 855552900 /nfs/dbraw/zinc/55/29/00/855552900.db2.gz IXOGAQIRMFOUBU-UHFFFAOYSA-N -1 0 415.462 4.375 20 0 HIADRM O=S(=O)([N-]c1ccnn1Cc1cccc(Cl)c1Cl)c1cc(F)cc(F)c1 ZINC000409587346 855554903 /nfs/dbraw/zinc/55/49/03/855554903.db2.gz OWCCVJSZEKFIKU-UHFFFAOYSA-N -1 0 418.252 4.317 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)n(-c2ccccc2F)n1 ZINC000409598526 855559098 /nfs/dbraw/zinc/55/90/98/855559098.db2.gz HAUJZYMFWFMVEH-UHFFFAOYSA-N -1 0 415.368 4.019 20 0 HIADRM O=S(=O)(NCC1CCC(F)(F)CC1)c1cc(Br)sc1Cl ZINC000409891883 855709387 /nfs/dbraw/zinc/70/93/87/855709387.db2.gz JPXCLNNGWMQVBO-UHFFFAOYSA-N -1 0 408.717 4.268 20 0 HIADRM O=S(=O)(N[C@@H]1CCCC12CCOCC2)c1csc(-c2ccc(Cl)cc2)n1 ZINC000409891722 855709542 /nfs/dbraw/zinc/70/95/42/855709542.db2.gz IODXKMNEPMFFRM-OAHLLOKOSA-N -1 0 412.964 4.091 20 0 HIADRM CC(C)(C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1csc(-c2cccs2)n1 ZINC000409944683 855737987 /nfs/dbraw/zinc/73/79/87/855737987.db2.gz UIQCYUPMXMSPQK-UHFFFAOYSA-N -1 0 412.496 4.131 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)c2)n1 ZINC000410030259 855786282 /nfs/dbraw/zinc/78/62/82/855786282.db2.gz PQXNNYJQQAZCNF-UHFFFAOYSA-N -1 0 408.888 4.271 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc([C@@H](C)CC(=O)[O-])cc3)c2)n1 ZINC000410058882 855804969 /nfs/dbraw/zinc/80/49/69/855804969.db2.gz NOLBAZMSMWONNA-ZDUSSCGKSA-N -1 0 416.524 4.498 20 0 HIADRM Cn1ccc2c([N-]S(=O)(=O)c3cc4cc(Cl)ccc4s3)cccc2c1=O ZINC000410321820 855927803 /nfs/dbraw/zinc/92/78/03/855927803.db2.gz DMSBPWQXFQVUIF-UHFFFAOYSA-N -1 0 404.900 4.207 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(CC(C)(C)C)nn3C)c2)n1 ZINC000410328564 855931186 /nfs/dbraw/zinc/93/11/86/855931186.db2.gz OHBZPKQOCLJLRY-UHFFFAOYSA-N -1 0 404.561 4.241 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cn(C)nc3-c3ccccc3)c2)n1 ZINC000410333055 855933995 /nfs/dbraw/zinc/93/39/95/855933995.db2.gz OOEHFUMTJXKEPH-UHFFFAOYSA-N -1 0 410.524 4.320 20 0 HIADRM CCc1c([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)nnn1Cc1ccc(F)cc1 ZINC000410334477 855934665 /nfs/dbraw/zinc/93/46/65/855934665.db2.gz FQUJFLSWNNGBJB-UHFFFAOYSA-N -1 0 416.522 4.027 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ccnn3-c3cccc(F)c3)c2)n1 ZINC000410338471 855937538 /nfs/dbraw/zinc/93/75/38/855937538.db2.gz SRLUGORLJFCJPR-UHFFFAOYSA-N -1 0 414.487 4.244 20 0 HIADRM Cc1cnn([C@@H]2CCCc3ccccc32)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000437399585 862746413 /nfs/dbraw/zinc/74/64/13/862746413.db2.gz YBFKPEGGTAMCPI-GOSISDBHSA-N -1 0 421.444 4.335 20 0 HIADRM O=C(N=c1nc(Cc2ccccc2)[n-]s1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000410362625 855951458 /nfs/dbraw/zinc/95/14/58/855951458.db2.gz DRKSPJFHAASOLT-CVEARBPZSA-N -1 0 403.429 4.312 20 0 HIADRM COc1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)cc1F ZINC000410371631 855957002 /nfs/dbraw/zinc/95/70/02/855957002.db2.gz GGYLIUMTDHGJJA-UHFFFAOYSA-N -1 0 412.639 4.190 20 0 HIADRM O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Br ZINC000410389770 855968796 /nfs/dbraw/zinc/96/87/96/855968796.db2.gz WKOHVHMLVDLTBO-UHFFFAOYSA-N -1 0 415.618 4.317 20 0 HIADRM CCn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC000410402512 855977163 /nfs/dbraw/zinc/97/71/63/855977163.db2.gz IZGTVCOMRNHBKF-UHFFFAOYSA-N -1 0 421.750 4.395 20 0 HIADRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)s1 ZINC000437399529 862746531 /nfs/dbraw/zinc/74/65/31/862746531.db2.gz BVIPWNCKUAYHMN-UHFFFAOYSA-N -1 0 412.334 4.020 20 0 HIADRM O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3Cl)cc21 ZINC000425985127 856031179 /nfs/dbraw/zinc/03/11/79/856031179.db2.gz OAIWKZOEZHWZDQ-UHFFFAOYSA-N -1 0 414.708 4.422 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2sc(C)cc2Br)n(-c2ccccc2)n1 ZINC000437405331 862759276 /nfs/dbraw/zinc/75/92/76/862759276.db2.gz MDBXCYLNPCFJIV-UHFFFAOYSA-N -1 0 412.334 4.114 20 0 HIADRM C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1C(=O)c1s[n-]c(=O)c1Cl ZINC000426176958 856156420 /nfs/dbraw/zinc/15/64/20/856156420.db2.gz CDFUAZFNFTYWFU-UWVGGRQHSA-N -1 0 419.856 4.260 20 0 HIADRM CC(C)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000426384663 856268419 /nfs/dbraw/zinc/26/84/19/856268419.db2.gz ZCUBFWRJHPNLQV-UHFFFAOYSA-N -1 0 415.540 4.344 20 0 HIADRM O=C(CCc1ccc(=O)[nH]c1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000426457259 856299783 /nfs/dbraw/zinc/29/97/83/856299783.db2.gz YDYDBAUAQQKDDP-UHFFFAOYSA-N -1 0 418.478 4.091 20 0 HIADRM CCn1nc(C)c(S(=O)(=O)[N-]c2ncc(Cc3cccc(Cl)c3)s2)c1C ZINC000437413685 862780464 /nfs/dbraw/zinc/78/04/64/862780464.db2.gz UDRYFDGGHUHQTN-UHFFFAOYSA-N -1 0 410.952 4.021 20 0 HIADRM CCn1nc(C)c(S(=O)(=O)[N-]c2nc3c(ccc(Cl)c3Cl)s2)c1C ZINC000437415546 862783561 /nfs/dbraw/zinc/78/35/61/862783561.db2.gz WMZPJGDZAAYOQC-UHFFFAOYSA-N -1 0 405.332 4.237 20 0 HIADRM Cc1ccc(OCc2nc(CN[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1 ZINC000426648305 856392151 /nfs/dbraw/zinc/39/21/51/856392151.db2.gz RRSRRHKWXOTERJ-OAQYLSRUSA-N -1 0 421.522 4.297 20 0 HIADRM Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2CNCc2nc(C(=O)[O-])cs2)cc1 ZINC000426668182 856403298 /nfs/dbraw/zinc/40/32/98/856403298.db2.gz DJSXXNSYTHKJLJ-UHFFFAOYSA-N -1 0 422.485 4.431 20 0 HIADRM Cc1nc(CNCc2cc(Br)cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000426670132 856405118 /nfs/dbraw/zinc/40/51/18/856405118.db2.gz CRLOCHPEBFCHAU-UHFFFAOYSA-N -1 0 409.227 4.221 20 0 HIADRM O=C([O-])c1coc(CNCc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000426687310 856412925 /nfs/dbraw/zinc/41/29/25/856412925.db2.gz JVMABCOXAOBTHX-UHFFFAOYSA-N -1 0 417.259 4.004 20 0 HIADRM Cc1nc(CNCc2cc(Br)cc(C)c2OC(F)F)sc1C(=O)[O-] ZINC000426707024 856423844 /nfs/dbraw/zinc/42/38/44/856423844.db2.gz ZDXIVPOQZMMIFZ-UHFFFAOYSA-N -1 0 421.263 4.112 20 0 HIADRM COc1ccc(OCc2nc(CN[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000426723690 856435856 /nfs/dbraw/zinc/43/58/56/856435856.db2.gz ZWCWWNSXFBSUFW-BTYIYWSLSA-N -1 0 412.511 4.282 20 0 HIADRM COc1ccc(Br)cc1[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426730864 856439223 /nfs/dbraw/zinc/43/92/23/856439223.db2.gz BRSFWAZKRCYRIO-AWEZNQCLSA-N -1 0 413.337 4.127 20 0 HIADRM O=C([O-])[C@@H](NCc1ccc(OC(F)F)c(Br)c1)c1c(F)cccc1F ZINC000426732622 856440632 /nfs/dbraw/zinc/44/06/32/856440632.db2.gz JEAFZMYPDWJGOL-AWEZNQCLSA-N -1 0 422.172 4.244 20 0 HIADRM O=C([O-])[C@@H](CSCc1cccc2cccnc21)NCc1coc(-c2ccccc2)n1 ZINC000426737601 856444591 /nfs/dbraw/zinc/44/45/91/856444591.db2.gz OPMNSYHTEDQBEL-HXUWFJFHSA-N -1 0 419.506 4.366 20 0 HIADRM COc1ccc(OCc2nc(CN[C@@H](C(=O)[O-])c3cccc(C)c3C)cs2)cc1 ZINC000426741131 856445387 /nfs/dbraw/zinc/44/53/87/856445387.db2.gz KDXJZHFFYHBRMW-OAQYLSRUSA-N -1 0 412.511 4.263 20 0 HIADRM COc1ccc(Br)cc1[C@@H](NCc1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000426745724 856449527 /nfs/dbraw/zinc/44/95/27/856449527.db2.gz HVJGIECWRDXTKO-QGZVFWFLSA-N -1 0 417.259 4.028 20 0 HIADRM O=C([O-])C[C@H](NCc1csc(-c2ccsc2)n1)c1cnn(-c2ccccc2)c1 ZINC000426760925 856462390 /nfs/dbraw/zinc/46/23/90/856462390.db2.gz WAOSCGKGQQVUFN-SFHVURJKSA-N -1 0 410.524 4.363 20 0 HIADRM Cc1ccc(CN[C@@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c(Br)c1 ZINC000426762155 856463842 /nfs/dbraw/zinc/46/38/42/856463842.db2.gz HUHUEMDGWQMZJI-IBGZPJMESA-N -1 0 414.303 4.249 20 0 HIADRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cnn(C(C)C)c3)n(-c3ccccc3)n2)cc1 ZINC000437423034 862800012 /nfs/dbraw/zinc/80/00/12/862800012.db2.gz SIVSFDUQEVFHPD-UHFFFAOYSA-N -1 0 421.526 4.426 20 0 HIADRM Cc1ccc(-c2ncc(CN[C@@H](C(=O)[O-])c3ccc(Br)cc3)s2)o1 ZINC000426800513 856485894 /nfs/dbraw/zinc/48/58/94/856485894.db2.gz NSWZSODCXLRLAA-OAHLLOKOSA-N -1 0 407.289 4.390 20 0 HIADRM Cc1ccc([C@@H](CC(=O)[O-])NCc2cn(-c3ccc(Br)cc3)nc2C)o1 ZINC000426801946 856486771 /nfs/dbraw/zinc/48/67/71/856486771.db2.gz WOGVVWFLQXLYRK-QGZVFWFLSA-N -1 0 418.291 4.150 20 0 HIADRM COc1cccc([C@H](CC(=O)[O-])NCc2csc(-c3ccsc3)n2)c1OC ZINC000426807009 856489098 /nfs/dbraw/zinc/48/90/98/856489098.db2.gz LSLMDKWYLVIJSH-HNNXBMFYSA-N -1 0 404.513 4.194 20 0 HIADRM O=C([O-])C[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(Cl)c1 ZINC000426811112 856492261 /nfs/dbraw/zinc/49/22/61/856492261.db2.gz KVHOOEZKALKJSC-MRXNPFEDSA-N -1 0 409.248 4.019 20 0 HIADRM O=C([O-])C[C@H](NCc1csc(-c2ccccn2)n1)c1cccc(Br)c1 ZINC000426817383 856494877 /nfs/dbraw/zinc/49/48/77/856494877.db2.gz SFAIJERDOIBOOE-INIZCTEOSA-N -1 0 418.316 4.273 20 0 HIADRM Cc1ccc(OCc2nc(CN[C@H](Cc3cc(C)cc(C)c3)C(=O)[O-])cs2)cc1 ZINC000426822804 856499004 /nfs/dbraw/zinc/49/90/04/856499004.db2.gz FTTDFYMEJYODCP-OAQYLSRUSA-N -1 0 410.539 4.433 20 0 HIADRM O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc(F)c(F)c([O-])c1F ZINC000426964083 856565906 /nfs/dbraw/zinc/56/59/06/856565906.db2.gz KBHBLNBCFDVHIB-UHFFFAOYSA-N -1 0 424.382 4.369 20 0 HIADRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1OC ZINC000427292618 856755936 /nfs/dbraw/zinc/75/59/36/856755936.db2.gz SAEJEBHIYSYVNY-UHFFFAOYSA-N -1 0 408.863 4.121 20 0 HIADRM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c1 ZINC000427301312 856759659 /nfs/dbraw/zinc/75/96/59/856759659.db2.gz IVQMNTGUZRFHSX-UHFFFAOYSA-N -1 0 416.282 4.174 20 0 HIADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1C1CC1 ZINC000427307817 856762974 /nfs/dbraw/zinc/76/29/74/856762974.db2.gz JWRGDBLJISXTKG-UHFFFAOYSA-N -1 0 421.416 4.255 20 0 HIADRM O=C([O-])C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000427313843 856765663 /nfs/dbraw/zinc/76/56/63/856765663.db2.gz OGFDZHBOQIODKS-UHFFFAOYSA-N -1 0 409.873 4.130 20 0 HIADRM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cccc1-c1ncco1 ZINC000427320477 856769974 /nfs/dbraw/zinc/76/99/74/856769974.db2.gz MCZVCHNNTMSORO-UHFFFAOYSA-N -1 0 412.467 4.028 20 0 HIADRM Cc1c(S(=O)(=O)[N-]c2ccc(C)c(OCc3cccc(Cl)c3)c2)cnn1C ZINC000427347112 856784813 /nfs/dbraw/zinc/78/48/13/856784813.db2.gz YYZOHXHMLVFFBW-UHFFFAOYSA-N -1 0 405.907 4.070 20 0 HIADRM CCc1c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cnn1CCC(C)C ZINC000427351838 856788638 /nfs/dbraw/zinc/78/86/38/856788638.db2.gz IHPYJDKKEVMCOJ-UHFFFAOYSA-N -1 0 423.432 4.330 20 0 HIADRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)c1 ZINC000427635681 856893207 /nfs/dbraw/zinc/89/32/07/856893207.db2.gz GBAXBISNXQPPLK-UHFFFAOYSA-N -1 0 401.669 4.353 20 0 HIADRM O=S(=O)([N-]c1ccc(OC(F)F)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000427634316 856893360 /nfs/dbraw/zinc/89/33/60/856893360.db2.gz RQYTULJLYVAHPL-UHFFFAOYSA-N -1 0 406.410 4.063 20 0 HIADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3Cl)n2)c(C)o1 ZINC000427638927 856894049 /nfs/dbraw/zinc/89/40/49/856894049.db2.gz NHNYDUIPIOZLFY-UHFFFAOYSA-N -1 0 424.837 4.030 20 0 HIADRM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc2cccnc21 ZINC000427642639 856895035 /nfs/dbraw/zinc/89/50/35/856895035.db2.gz RQPYNWXRRGELRX-UHFFFAOYSA-N -1 0 400.353 4.202 20 0 HIADRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3Cl)n2)c1 ZINC000427645695 856895818 /nfs/dbraw/zinc/89/58/18/856895818.db2.gz FHKJQYABMHXWBP-UHFFFAOYSA-N -1 0 422.865 4.359 20 0 HIADRM C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000427649471 856896727 /nfs/dbraw/zinc/89/67/27/856896727.db2.gz YGMFMFWATFFMLS-JKSUJKDBSA-N -1 0 404.557 4.473 20 0 HIADRM COCc1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc(C(=O)[O-])c1 ZINC000427672584 856904393 /nfs/dbraw/zinc/90/43/93/856904393.db2.gz MXHOFWBTGLDJKC-UHFFFAOYSA-N -1 0 416.380 4.036 20 0 HIADRM COCc1cc(NC(=O)[C@@H](C)Cc2ccc(F)c(Br)c2)cc(C(=O)[O-])c1 ZINC000427695477 856912933 /nfs/dbraw/zinc/91/29/33/856912933.db2.gz GYQHRFWZXGNJHZ-NSHDSACASA-N -1 0 424.266 4.250 20 0 HIADRM COc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c(OC(C)C)c1 ZINC000427755668 856939882 /nfs/dbraw/zinc/93/98/82/856939882.db2.gz GFHJTLABIRMFAM-RBUKOAKNSA-N -1 0 417.889 4.076 20 0 HIADRM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H]1c1ccc(Cl)cc1 ZINC000427773943 856948552 /nfs/dbraw/zinc/94/85/52/856948552.db2.gz 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ZVXOOKASCYJJKI-FQEVSTJZSA-N -1 0 421.478 4.216 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1ccc2ccccc2c1 ZINC000431874385 858850480 /nfs/dbraw/zinc/85/04/80/858850480.db2.gz YIVHWCQEYRJVAJ-FQEVSTJZSA-N -1 0 413.433 4.323 20 0 HIADRM CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431878733 858852144 /nfs/dbraw/zinc/85/21/44/858852144.db2.gz APYSSKNEZKOHSZ-SPLOXXLWSA-N -1 0 422.506 4.221 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1)c1ccc2ccccc2c1 ZINC000431885157 858855556 /nfs/dbraw/zinc/85/55/56/858855556.db2.gz RZKKXYRWNICCFB-HXUWFJFHSA-N -1 0 413.433 4.323 20 0 HIADRM O=C([O-])C1(CNC(=O)c2cc(Cl)ccc2Sc2ccccc2)CCOCC1 ZINC000431885771 858855973 /nfs/dbraw/zinc/85/59/73/858855973.db2.gz VDPRFZWYVAOBLC-UHFFFAOYSA-N -1 0 405.903 4.102 20 0 HIADRM O=C([O-])C1(CNC(=O)CCc2nc3ccccc3n2-c2ccccc2)CCCCC1 ZINC000431888000 858857046 /nfs/dbraw/zinc/85/70/46/858857046.db2.gz TWXLGRPPXJWJEG-UHFFFAOYSA-N -1 0 405.498 4.109 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)CCCc1nc2ccccc2s1 ZINC000431978057 858899017 /nfs/dbraw/zinc/89/90/17/858899017.db2.gz SNCBMLKREQOAOM-UHFFFAOYSA-N -1 0 404.438 4.011 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000431983178 858903547 /nfs/dbraw/zinc/90/35/47/858903547.db2.gz VEQWZJFGAFBICO-ZIAGYGMSSA-N -1 0 413.342 4.201 20 0 HIADRM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000431987768 858907089 /nfs/dbraw/zinc/90/70/89/858907089.db2.gz RGRJQIRDZVLCTE-CQSZACIVSA-N -1 0 400.450 4.326 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1)C(=O)[O-] ZINC000431993095 858909949 /nfs/dbraw/zinc/90/99/49/858909949.db2.gz RHOSGHFEURJPSP-NSHDSACASA-N -1 0 401.260 4.446 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)C[C@H]1CCCc3ccccc31)CC2 ZINC000431993222 858910423 /nfs/dbraw/zinc/91/04/23/858910423.db2.gz RSDOCXORQXAEMS-DYESRHJHSA-N -1 0 423.509 4.115 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000431998901 858913929 /nfs/dbraw/zinc/91/39/29/858913929.db2.gz OENQJKUYBHFIMB-HUUCEWRRSA-N -1 0 413.342 4.201 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)CCc2cc(F)ccc2Br)cc1)C(=O)[O-] ZINC000432000494 858915027 /nfs/dbraw/zinc/91/50/27/858915027.db2.gz MXRGMZFSFRUCAW-LBPRGKRZSA-N -1 0 408.267 4.423 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1)C(=O)[O-] ZINC000431999792 858915040 /nfs/dbraw/zinc/91/50/40/858915040.db2.gz DTFRNWSVUHYVHN-GFCCVEGCSA-N -1 0 416.271 4.127 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432002931 858917029 /nfs/dbraw/zinc/91/70/29/858917029.db2.gz NGKFBIUQIUDQHV-NWDGAFQWSA-N -1 0 424.266 4.257 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000432004108 858918972 /nfs/dbraw/zinc/91/89/72/858918972.db2.gz XFDWEPIGLIYFTR-AWEZNQCLSA-N -1 0 401.331 4.114 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3C1)CC2 ZINC000432005684 858919556 /nfs/dbraw/zinc/91/95/56/858919556.db2.gz GPWZYWMEESNFDU-YTXYEVPYSA-N -1 0 415.530 4.211 20 0 HIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)Cc1csc2ccc(Cl)cc12 ZINC000432007745 858922950 /nfs/dbraw/zinc/92/29/50/858922950.db2.gz RMORNXHWXBTLRX-UHFFFAOYSA-N -1 0 403.887 4.219 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@H](C)c1cc3ccccc3o1)CC2 ZINC000432009708 858924011 /nfs/dbraw/zinc/92/40/11/858924011.db2.gz YAXWRKQKKKLYMU-RDTXWAMCSA-N -1 0 423.465 4.154 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cnn1-c1ccc(F)cc1 ZINC000432052708 858952379 /nfs/dbraw/zinc/95/23/79/858952379.db2.gz LSWDCCGJTABGCB-UHFFFAOYSA-N -1 0 413.396 4.182 20 0 HIADRM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432054901 858953153 /nfs/dbraw/zinc/95/31/53/858953153.db2.gz NRJNBUWUYCKUBJ-UHFFFAOYSA-N -1 0 407.435 4.175 20 0 HIADRM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3sccc3Br)cc21 ZINC000432075309 858970338 /nfs/dbraw/zinc/97/03/38/858970338.db2.gz DYXUGIJOCLWAEW-UHFFFAOYSA-N -1 0 406.710 4.094 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000432092280 858984067 /nfs/dbraw/zinc/98/40/67/858984067.db2.gz XULNECZOXOUABN-OAHLLOKOSA-N -1 0 400.525 4.006 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432094048 858984967 /nfs/dbraw/zinc/98/49/67/858984967.db2.gz FRHUIQHGQBRDGU-BTYIYWSLSA-N -1 0 418.490 4.211 20 0 HIADRM C[C@]1(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC000432094333 858985339 /nfs/dbraw/zinc/98/53/39/858985339.db2.gz GJSATIMLIJKYQC-UUOWRZLLSA-N -1 0 405.498 4.108 20 0 HIADRM CCCOc1ccc(Oc2ncccc2CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000432099634 858989207 /nfs/dbraw/zinc/98/92/07/858989207.db2.gz SCCPDJUPMOIHHC-SJORKVTESA-N -1 0 412.486 4.170 20 0 HIADRM C[C@]1(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000432099447 858989213 /nfs/dbraw/zinc/98/92/13/858989213.db2.gz RHFKABJNOLSHHK-UZLBHIALSA-N -1 0 422.934 4.068 20 0 HIADRM O=C([O-])COc1cccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000432099627 858989254 /nfs/dbraw/zinc/98/92/54/858989254.db2.gz SBOBRLUPFRVJET-AEFFLSMTSA-N -1 0 407.388 4.235 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCCc4ccccc4C3)cc2)c(C)c1CCC(=O)[O-] ZINC000432105641 858992601 /nfs/dbraw/zinc/99/26/01/858992601.db2.gz FPWWNFJFQSOCAR-UHFFFAOYSA-N -1 0 417.509 4.095 20 0 HIADRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000432107258 858994206 /nfs/dbraw/zinc/99/42/06/858994206.db2.gz LYLTZYSDBPURGU-INIZCTEOSA-N -1 0 423.538 4.491 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000432108062 858996071 /nfs/dbraw/zinc/99/60/71/858996071.db2.gz MIXKOZUEFQRXRE-KBAYOESNSA-N -1 0 421.415 4.281 20 0 HIADRM C[C@@]1(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CCCC[C@H]1C(=O)[O-] ZINC000432111179 858997182 /nfs/dbraw/zinc/99/71/82/858997182.db2.gz WEKKNGXOHVBXER-KPZWWZAWSA-N -1 0 414.449 4.397 20 0 HIADRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432115343 858999496 /nfs/dbraw/zinc/99/94/96/858999496.db2.gz XGOVLRMKFFQHPB-GOSISDBHSA-N -1 0 420.513 4.096 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1[nH]c2ccccc2c1Br ZINC000432121135 859001613 /nfs/dbraw/zinc/00/16/13/859001613.db2.gz DSMAPYAAFUPSRN-CQSZACIVSA-N -1 0 415.287 4.136 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000432125896 859004148 /nfs/dbraw/zinc/00/41/48/859004148.db2.gz IGWXBGMHDHQZGB-GUDVDZBRSA-N -1 0 405.416 4.401 20 0 HIADRM O=C([O-])c1cccc(CC(=O)N2CCCCC[C@H]2c2noc(-c3ccccc3)n2)c1 ZINC000432126451 859005209 /nfs/dbraw/zinc/00/52/09/859005209.db2.gz MDWOSHXFOMUOFM-IBGZPJMESA-N -1 0 405.454 4.121 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000432128343 859005903 /nfs/dbraw/zinc/00/59/03/859005903.db2.gz DVNJGLQUJUERRK-ULFGMLNVSA-N -1 0 405.903 4.165 20 0 HIADRM C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1cccc(OCc2ccccn2)c1 ZINC000432131147 859007411 /nfs/dbraw/zinc/00/74/11/859007411.db2.gz RYXPBYXFXPAASH-KRWDZBQOSA-N 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COCc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)ccc2o1 ZINC000432384252 859136824 /nfs/dbraw/zinc/13/68/24/859136824.db2.gz AWQCQSYDPJVORA-UHFFFAOYSA-N -1 0 420.796 4.447 20 0 HIADRM Cc1noc(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000432469266 859177971 /nfs/dbraw/zinc/17/79/71/859177971.db2.gz CKZQMTZJSZIRSB-UHFFFAOYSA-N -1 0 419.331 4.143 20 0 HIADRM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1C ZINC000432630320 859262265 /nfs/dbraw/zinc/26/22/65/859262265.db2.gz DFGCFTCJVILWLT-UHFFFAOYSA-N -1 0 420.293 4.383 20 0 HIADRM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1C ZINC000432647819 859271595 /nfs/dbraw/zinc/27/15/95/859271595.db2.gz HHSWPUQDRZAWHH-UHFFFAOYSA-N -1 0 416.528 4.061 20 0 HIADRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)N2CCCC2)cc1Cl ZINC000432776245 859353972 /nfs/dbraw/zinc/35/39/72/859353972.db2.gz MEUAKPZLHHJHJJ-UHFFFAOYSA-N -1 0 422.934 4.002 20 0 HIADRM COc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccc(C)cc3C)o2)cc1Cl ZINC000432956419 859447680 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900666310 /nfs/dbraw/zinc/66/63/10/900666310.db2.gz SUAQPELPEYTBCX-KSZLIROESA-N -1 0 402.288 4.275 20 0 HIADRM CC[C@](NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)(C(=O)[O-])c1ccccc1 ZINC000485369283 900666504 /nfs/dbraw/zinc/66/65/04/900666504.db2.gz CWKDEOZNUIATEB-XMMPIXPASA-N -1 0 421.497 4.299 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)ccc21 ZINC000485381453 900678780 /nfs/dbraw/zinc/67/87/80/900678780.db2.gz KDDSKDOKQLNZIB-OAQYLSRUSA-N -1 0 408.498 4.240 20 0 HIADRM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485393292 900690405 /nfs/dbraw/zinc/69/04/05/900690405.db2.gz LTGJZJVWJLKPJG-UHFFFAOYSA-N -1 0 424.725 4.060 20 0 HIADRM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000485395956 900692494 /nfs/dbraw/zinc/69/24/94/900692494.db2.gz IMOBTIYKARVZFY-UHFFFAOYSA-N -1 0 414.314 4.422 20 0 HIADRM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485397253 900693863 /nfs/dbraw/zinc/69/38/63/900693863.db2.gz TWLLPYCRRXELOD-UHFFFAOYSA-N -1 0 401.315 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405.450 4.392 20 0 HIADRM O=C([O-])c1cnn(-c2ccc(C(=O)N3CC[C@@H]3c3ccccc3)cc2)c1C(F)(F)F ZINC000485637564 900890301 /nfs/dbraw/zinc/89/03/01/900890301.db2.gz KZUJZMWKQJIXGL-QGZVFWFLSA-N -1 0 415.371 4.177 20 0 HIADRM Cc1ccsc1CN(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000485637797 900890318 /nfs/dbraw/zinc/89/03/18/900890318.db2.gz AJWLPFZKRUBMHM-UHFFFAOYSA-N -1 0 423.416 4.231 20 0 HIADRM C[C@H](CNC(=O)c1ccccc1SCc1occc1C(=O)[O-])Oc1ccccc1 ZINC000485639231 900891742 /nfs/dbraw/zinc/89/17/42/900891742.db2.gz ANJYXIJIAVWBCD-OAHLLOKOSA-N -1 0 411.479 4.467 20 0 HIADRM CCOc1c(Cl)cc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1OC ZINC000485653635 900906547 /nfs/dbraw/zinc/90/65/47/900906547.db2.gz JBYMXWTWXWLUKY-LBPRGKRZSA-N -1 0 423.918 4.243 20 0 HIADRM CCOc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)ccc1OCC(=O)[O-] ZINC000485657215 900909085 /nfs/dbraw/zinc/90/90/85/900909085.db2.gz UKZXDAKWVHOADO-FQEVSTJZSA-N -1 0 403.450 4.205 20 0 HIADRM CCOc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1OCC(=O)[O-] ZINC000485661299 900913293 /nfs/dbraw/zinc/91/32/93/900913293.db2.gz ZNQBEIXZXOMQTN-FQEVSTJZSA-N -1 0 405.878 4.329 20 0 HIADRM CCOc1cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)ccc1OCC(=O)[O-] ZINC000485666785 900916855 /nfs/dbraw/zinc/91/68/55/900916855.db2.gz YTWQVROGPGWWAI-UHFFFAOYSA-N -1 0 403.862 4.011 20 0 HIADRM CCOc1cc(C(=O)N2CC3(CCCC3)c3c2cccc3F)ccc1OCC(=O)[O-] ZINC000485667680 900918179 /nfs/dbraw/zinc/91/81/79/900918179.db2.gz QJOLQYSAQNOGEK-UHFFFAOYSA-N -1 0 413.445 4.160 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000485693208 900944269 /nfs/dbraw/zinc/94/42/69/900944269.db2.gz HFVCHGZGDSHNKN-UHFFFAOYSA-N -1 0 423.469 4.168 20 0 HIADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)c1ccc(F)cc1 ZINC000485696249 900945881 /nfs/dbraw/zinc/94/58/81/900945881.db2.gz DLNNVGSEDSHAGH-PXAZEXFGSA-N -1 0 408.267 4.414 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1cccc(Br)c1 ZINC000485696365 900946935 /nfs/dbraw/zinc/94/69/35/900946935.db2.gz NCTXCEDXQYATID-OMUXJLDVSA-N -1 0 406.251 4.324 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000485698718 900948974 /nfs/dbraw/zinc/94/89/74/900948974.db2.gz SGQBLCNFBVUIDD-UHFFFAOYSA-N -1 0 423.444 4.238 20 0 HIADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000485702246 900952364 /nfs/dbraw/zinc/95/23/64/900952364.db2.gz RIPRZTNUORDVHM-UHFFFAOYSA-N -1 0 422.868 4.319 20 0 HIADRM Cc1csc(-c2cccc(C(=O)N(CC(=O)[O-])Cc3ccc(Cl)cc3)c2)n1 ZINC000485713782 900963067 /nfs/dbraw/zinc/96/30/67/900963067.db2.gz ACEHUGGSPRCQFS-UHFFFAOYSA-N -1 0 400.887 4.499 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000485716326 900964686 /nfs/dbraw/zinc/96/46/86/900964686.db2.gz CTRHBKKODGTTCS-LBPRGKRZSA-N -1 0 422.275 4.341 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000485727980 900980322 /nfs/dbraw/zinc/98/03/22/900980322.db2.gz UYRXXWIRDKCJBB-OAHLLOKOSA-N -1 0 412.873 4.287 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000485729614 900981841 /nfs/dbraw/zinc/98/18/41/900981841.db2.gz FDNIATDFFWVJHE-OLZOCXBDSA-N -1 0 410.333 4.364 20 0 HIADRM Cc1nc(CCC(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])oc1-c1ccccc1 ZINC000485730204 900981863 /nfs/dbraw/zinc/98/18/63/900981863.db2.gz GEEJEPGNBAXOMW-KRWDZBQOSA-N -1 0 406.482 4.332 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000485731279 900983447 /nfs/dbraw/zinc/98/34/47/900983447.db2.gz MDRWGVZWBCTGEM-SNVBAGLBSA-N -1 0 401.875 4.356 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1csc(-c2cccc(F)c2)n1)C(=O)[O-] ZINC000485732572 900985404 /nfs/dbraw/zinc/98/54/04/900985404.db2.gz NGNDFQKGSZFFTK-OAHLLOKOSA-N -1 0 412.486 4.241 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1)C(=O)[O-] ZINC000485739556 900993326 /nfs/dbraw/zinc/99/33/26/900993326.db2.gz UDAFDDVZQSQREB-QYOLQKOISA-N -1 0 411.932 4.036 20 0 HIADRM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000485740054 900995064 /nfs/dbraw/zinc/99/50/64/900995064.db2.gz DFTSLZHXOWTSEG-HACGYAERSA-N -1 0 421.419 4.383 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)C/C=C\c1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000485740874 900995221 /nfs/dbraw/zinc/99/52/21/900995221.db2.gz YQROINGJMNLTPY-POKLJVKSSA-N -1 0 411.351 4.460 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCCCO[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000485742768 900998398 /nfs/dbraw/zinc/99/83/98/900998398.db2.gz JNUDKGJTEYRNSP-UZLBHIALSA-N -1 0 413.539 4.466 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)C(=O)[O-] ZINC000485743691 900998596 /nfs/dbraw/zinc/99/85/96/900998596.db2.gz RSULBHBBDOZFDL-ZFWWWQNUSA-N -1 0 418.490 4.234 20 0 HIADRM COc1ccc(-c2ncc(C(=O)N(Cc3ccccc3)C[C@H](C)C(=O)[O-])s2)cc1 ZINC000485745395 900999862 /nfs/dbraw/zinc/99/98/62/900999862.db2.gz RRFFJLCAUGYVRP-HNNXBMFYSA-N -1 0 410.495 4.182 20 0 HIADRM CCOc1cc(C(=O)Nc2cccc(Cl)c2OC(C)C)ccc1OCC(=O)[O-] 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ZINC000237044107 853956589 /nfs/dbraw/zinc/95/65/89/853956589.db2.gz GPHIQDOTOWGQPJ-GOSISDBHSA-N -1 0 409.507 4.487 20 0 HIADRM CCN(CC)C(=O)Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000237047160 853956616 /nfs/dbraw/zinc/95/66/16/853956616.db2.gz PLPHKIUVOVWEAD-HSZRJFAPSA-N -1 0 402.535 4.097 20 0 HIADRM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237050538 853957972 /nfs/dbraw/zinc/95/79/72/853957972.db2.gz UCEYXQDROOMLAS-UHFFFAOYSA-N -1 0 409.461 4.399 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C ZINC000237059964 853958749 /nfs/dbraw/zinc/95/87/49/853958749.db2.gz YPNJQTGCKUDOQY-CYBMUJFWSA-N -1 0 414.531 4.374 20 0 HIADRM Cc1ccc(-n2ncc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)c2C(F)(F)F)cc1 ZINC000237073811 853960028 /nfs/dbraw/zinc/96/00/28/853960028.db2.gz ARTWYCXBRANHMV-UHFFFAOYSA-N -1 0 417.387 4.170 20 0 HIADRM COc1ccc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1Br ZINC000237196577 853979421 /nfs/dbraw/zinc/97/94/21/853979421.db2.gz 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C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)Cc1cccc(Br)c1)C(=O)[O-] ZINC000237337024 854008742 /nfs/dbraw/zinc/00/87/42/854008742.db2.gz WSQGJBFPZDIHRC-QWHCGFSZSA-N -1 0 422.344 4.375 20 0 HIADRM COc1ccc(CNC(=O)c2sc(-c3ccc(C)cc3C)nc2C)cc1C(=O)[O-] ZINC000237338796 854009267 /nfs/dbraw/zinc/00/92/67/854009267.db2.gz VACKZSAJPCCQMR-UHFFFAOYSA-N -1 0 410.495 4.372 20 0 HIADRM Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000237348697 854010760 /nfs/dbraw/zinc/01/07/60/854010760.db2.gz KCMSIEDTBKPZMO-CYBMUJFWSA-N -1 0 417.387 4.389 20 0 HIADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237352606 854011432 /nfs/dbraw/zinc/01/14/32/854011432.db2.gz ZNTOSIBMAOPTED-SCLBCKFNSA-N -1 0 422.294 4.489 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Br)c(F)c2)cc1 ZINC000237361966 854014675 /nfs/dbraw/zinc/01/46/75/854014675.db2.gz JUOCBXXFNIOISV-HNNXBMFYSA-N -1 0 412.280 4.256 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000237383527 854018426 /nfs/dbraw/zinc/01/84/26/854018426.db2.gz UOYGKAVXAVQWCH-INIZCTEOSA-N -1 0 420.509 4.488 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000237377160 854018464 /nfs/dbraw/zinc/01/84/64/854018464.db2.gz LANTXLOJIVRGQI-SNVBAGLBSA-N -1 0 412.280 4.083 20 0 HIADRM CSc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)o1 ZINC000237382153 854018699 /nfs/dbraw/zinc/01/86/99/854018699.db2.gz NRGBXDCKEOUTPP-UHFFFAOYSA-N -1 0 411.361 4.157 20 0 HIADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237395500 854022616 /nfs/dbraw/zinc/02/26/16/854022616.db2.gz YPIUPJWXCCFHRC-CXAGYDPISA-N -1 0 412.324 4.209 20 0 HIADRM CSc1ccc(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)cc1 ZINC000237405010 854025687 /nfs/dbraw/zinc/02/56/87/854025687.db2.gz BDOAUCHELIYVAG-UHFFFAOYSA-N -1 0 409.511 4.481 20 0 HIADRM C[C@H](c1cccs1)N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237418773 854028407 /nfs/dbraw/zinc/02/84/07/854028407.db2.gz XARGGPIMDFRIRJ-LLVKDONJSA-N -1 0 423.416 4.484 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c(C)nc3ccccc3c2C)cc1 ZINC000237420229 854028576 /nfs/dbraw/zinc/02/85/76/854028576.db2.gz UVAMAGUJUMBYDW-NRFANRHFSA-N -1 0 408.523 4.448 20 0 HIADRM C[C@@H](CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000237417779 854028694 /nfs/dbraw/zinc/02/86/94/854028694.db2.gz PSUPAAZJFQKIQB-HNNXBMFYSA-N -1 0 411.889 4.045 20 0 HIADRM COc1ccc(C[C@H](C)C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237433061 854032514 /nfs/dbraw/zinc/03/25/14/854032514.db2.gz NNQYIRCCFVAKAN-HTAPYJJXSA-N -1 0 405.494 4.087 20 0 HIADRM CSc1ccc(Cl)c(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000237437250 854033818 /nfs/dbraw/zinc/03/38/18/854033818.db2.gz IJCFASQJCCCDDH-UHFFFAOYSA-N -1 0 400.887 4.440 20 0 HIADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237456522 854036828 /nfs/dbraw/zinc/03/68/28/854036828.db2.gz CGNCKRUNCVZIDS-LJQANCHMSA-N -1 0 407.510 4.150 20 0 HIADRM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237466251 854037905 /nfs/dbraw/zinc/03/79/05/854037905.db2.gz BLOLHLOPBNCULT-YPMHNXCESA-N -1 0 418.715 4.116 20 0 HIADRM Cc1cc([C@H](C)NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c(C)o1 ZINC000237481893 854041963 /nfs/dbraw/zinc/04/19/63/854041963.db2.gz QFTUOQQUKQWDJN-AWEZNQCLSA-N -1 0 409.486 4.207 20 0 HIADRM COc1ccc2oc([C@@H](C)NC(=O)c3cc(C(=O)[O-])nn3-c3ccccc3)c(C)c2c1 ZINC000237484616 854043055 /nfs/dbraw/zinc/04/30/55/854043055.db2.gz YWUHRUQRCLVOGH-CQSZACIVSA-N -1 0 419.437 4.125 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)sc1C(=O)[O-] ZINC000237494426 854045178 /nfs/dbraw/zinc/04/51/78/854045178.db2.gz OGDOJIKIHUWGGG-GJZGRUSLSA-N -1 0 410.495 4.461 20 0 HIADRM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)[C@@H]1C ZINC000237499091 854045325 /nfs/dbraw/zinc/04/53/25/854045325.db2.gz KREDCKYMQKAVIQ-XHBSWPGZSA-N -1 0 409.408 4.144 20 0 HIADRM C[C@@H](C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccc(Br)s1 ZINC000237495851 854045424 /nfs/dbraw/zinc/04/54/24/854045424.db2.gz QQXOSQOFMGPYBS-SNVBAGLBSA-N -1 0 420.288 4.137 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)cc1 ZINC000237509814 854047334 /nfs/dbraw/zinc/04/73/34/854047334.db2.gz ADMSEBHHRDSCSD-KKSFZXQISA-N -1 0 421.522 4.198 20 0 HIADRM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000237522515 854049372 /nfs/dbraw/zinc/04/93/72/854049372.db2.gz VWWZWOZPKJULBF-GFCCVEGCSA-N -1 0 423.296 4.015 20 0 HIADRM C[C@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237546772 854051923 /nfs/dbraw/zinc/05/19/23/854051923.db2.gz UMXJQFWGEVJTGS-BLLLJJGKSA-N -1 0 408.317 4.262 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccc(Br)s1)C(=O)[O-] ZINC000237548843 854053263 /nfs/dbraw/zinc/05/32/63/854053263.db2.gz WCJZXSBWANQUFY-JTQLQIEISA-N -1 0 414.346 4.348 20 0 HIADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237558714 854054022 /nfs/dbraw/zinc/05/40/22/854054022.db2.gz YPIUPJWXCCFHRC-SUMWQHHRSA-N -1 0 412.324 4.209 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](C)Cc3ccccc3F)cc2)c(C)c1CCC(=O)[O-] ZINC000237566600 854056085 /nfs/dbraw/zinc/05/60/85/854056085.db2.gz KZKVUKGXSMIOQY-OAHLLOKOSA-N -1 0 423.488 4.006 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1NC(=O)c1ccccc1 ZINC000237603633 854060551 /nfs/dbraw/zinc/06/05/51/854060551.db2.gz CUOHKLPJVHMZKF-SFHVURJKSA-N -1 0 408.479 4.255 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000237614046 854062997 /nfs/dbraw/zinc/06/29/97/854062997.db2.gz JHFSTSVTAKOYRZ-OAQYLSRUSA-N -1 0 402.450 4.193 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000237628539 854065132 /nfs/dbraw/zinc/06/51/32/854065132.db2.gz RKIGIKUZDOGOGQ-GTNSWQLSSA-N -1 0 401.260 4.122 20 0 HIADRM Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000237635672 854066191 /nfs/dbraw/zinc/06/61/91/854066191.db2.gz XNEYBLSEFNZESP-MSOLQXFVSA-N -1 0 408.454 4.007 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1F ZINC000237643515 854066682 /nfs/dbraw/zinc/06/66/82/854066682.db2.gz VZQXYGRRMVTWDO-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c(C)c1 ZINC000237643230 854067024 /nfs/dbraw/zinc/06/70/24/854067024.db2.gz IOKDHYAPCGFBAU-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cc1cc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237640118 854067089 /nfs/dbraw/zinc/06/70/89/854067089.db2.gz WVOPFRRZIKHLPG-AOMKIAJQSA-N -1 0 424.472 4.115 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)Cc2csc(-c3ccccc3Cl)n2)sc1C(=O)[O-] ZINC000237647256 854067949 /nfs/dbraw/zinc/06/79/49/854067949.db2.gz YXYZSRNFJAGXPC-SNVBAGLBSA-N -1 0 421.931 4.347 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237652918 854069137 /nfs/dbraw/zinc/06/91/37/854069137.db2.gz WHNUKBSPJKVBLM-XIRDDKMYSA-N -1 0 402.491 4.039 20 0 HIADRM C[C@@H]1CN(c2ccc(NC(=O)CC3(CC(=O)[O-])CCCCC3)cc2F)C[C@H](C)O1 ZINC000237668533 854071840 /nfs/dbraw/zinc/07/18/40/854071840.db2.gz KWLBGYDJUCYEPN-IYBDPMFKSA-N -1 0 406.498 4.193 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237666652 854071874 /nfs/dbraw/zinc/07/18/74/854071874.db2.gz FDKVIAOXOASBIB-OAHLLOKOSA-N -1 0 422.865 4.379 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000237665527 854072279 /nfs/dbraw/zinc/07/22/79/854072279.db2.gz HTEJZNMJWHBEGX-IUCAKERBSA-N -1 0 403.287 4.101 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)CCCCc2nc3ccccc3s2)C(=O)[O-])c1 ZINC000237687533 854076184 /nfs/dbraw/zinc/07/61/84/854076184.db2.gz DDBFMWWHYFWLJU-GOSISDBHSA-N -1 0 410.539 4.377 20 0 HIADRM Cc1c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000237690939 854077078 /nfs/dbraw/zinc/07/70/78/854077078.db2.gz BOOYZPRWDTVULV-UHFFFAOYSA-N -1 0 409.511 4.368 20 0 HIADRM Cc1ccc(CCCC(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)s1 ZINC000237707575 854079610 /nfs/dbraw/zinc/07/96/10/854079610.db2.gz ZXWLSWNTKIDREF-LJQANCHMSA-N -1 0 414.527 4.097 20 0 HIADRM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000237712309 854080960 /nfs/dbraw/zinc/08/09/60/854080960.db2.gz URLMHPIQEBTWHT-SFHVURJKSA-N -1 0 423.469 4.165 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)nn1-c1ccc(Br)cc1 ZINC000237716440 854081804 /nfs/dbraw/zinc/08/18/04/854081804.db2.gz YIMLBSXTOVPEET-UHFFFAOYSA-N -1 0 414.259 4.202 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1 ZINC000237722361 854082586 /nfs/dbraw/zinc/08/25/86/854082586.db2.gz WPVIXYFTKHPXOS-UHFFFAOYSA-N -1 0 415.396 4.084 20 0 HIADRM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccccc3CC(=O)[O-])c12 ZINC000237721249 854082737 /nfs/dbraw/zinc/08/27/37/854082737.db2.gz JCORQNMPCXUPQK-UHFFFAOYSA-N -1 0 401.422 4.386 20 0 HIADRM Cc1c(Br)c2ccccc2n1CC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237724219 854083981 /nfs/dbraw/zinc/08/39/81/854083981.db2.gz JSABKNYPVZLEBC-UHFFFAOYSA-N -1 0 405.223 4.188 20 0 HIADRM Cc1ccccc1-c1nc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1 ZINC000237724245 854084032 /nfs/dbraw/zinc/08/40/32/854084032.db2.gz NXDOIDVMHCNSIM-SFHVURJKSA-N -1 0 405.479 4.026 20 0 HIADRM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237740474 854086807 /nfs/dbraw/zinc/08/68/07/854086807.db2.gz MOQIKKICYPPNEJ-UHFFFAOYSA-N -1 0 408.907 4.335 20 0 HIADRM Cc1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cnn1-c1ccccc1C ZINC000237741136 854087631 /nfs/dbraw/zinc/08/76/31/854087631.db2.gz IYTSKOMHUDCUKX-GOSISDBHSA-N -1 0 415.852 4.227 20 0 HIADRM Cc1ccccc1-n1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cn1 ZINC000237744359 854088143 /nfs/dbraw/zinc/08/81/43/854088143.db2.gz HSHLZXXLKJWQTF-UHFFFAOYSA-N -1 0 401.422 4.050 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000237749547 854088736 /nfs/dbraw/zinc/08/87/36/854088736.db2.gz JJRQTIWEZSHSTH-UHFFFAOYSA-N -1 0 406.276 4.137 20 0 HIADRM Cc1c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000237754210 854088957 /nfs/dbraw/zinc/08/89/57/854088957.db2.gz CWCDGALKFCVTQA-BVGQSLNGSA-N -1 0 421.419 4.057 20 0 HIADRM Cc1cccc2c(CC(=O)N[C@@H](CC(=O)[O-])c3cccc(Br)c3)c[nH]c21 ZINC000237758233 854089979 /nfs/dbraw/zinc/08/99/79/854089979.db2.gz BHAMTFSMCZHWTF-KRWDZBQOSA-N -1 0 415.287 4.114 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000237758870 854090606 /nfs/dbraw/zinc/09/06/06/854090606.db2.gz RKIGIKUZDOGOGQ-DIFFPNOSSA-N -1 0 401.260 4.122 20 0 HIADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c(Cl)cc1F ZINC000237767116 854092611 /nfs/dbraw/zinc/09/26/11/854092611.db2.gz FWBRXRRWBVOZGI-OAHLLOKOSA-N -1 0 414.658 4.496 20 0 HIADRM Cn1cc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000237769406 854092770 /nfs/dbraw/zinc/09/27/70/854092770.db2.gz XZFUIJSNKUKFMP-SFHVURJKSA-N -1 0 402.853 4.236 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc2c(cc(Br)cc2F)[nH]1 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O=C([O-])CCc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000431514379 858651410 /nfs/dbraw/zinc/65/14/10/858651410.db2.gz QGIMIEPTYGNRTM-UHFFFAOYSA-N -1 0 409.511 4.169 20 0 HIADRM CC(C)Cn1ncc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1C1CC1 ZINC000431523224 858655292 /nfs/dbraw/zinc/65/52/92/858655292.db2.gz WXWOTLBWHJOEDU-OAQYLSRUSA-N -1 0 419.525 4.243 20 0 HIADRM COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000431529844 858657205 /nfs/dbraw/zinc/65/72/05/858657205.db2.gz FJKUPFUBFSGVPL-SUCHYCSPSA-N -1 0 416.477 4.181 20 0 HIADRM CCOc1ccccc1-c1cccc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000431542821 858662539 /nfs/dbraw/zinc/66/25/39/858662539.db2.gz LRXCOJHUWMVHHD-UHFFFAOYSA-N -1 0 405.450 4.389 20 0 HIADRM COc1cc(CNC(=O)c2cc3cc(C)cc(Br)c3o2)ccc1C(=O)[O-] ZINC000431540022 858662592 /nfs/dbraw/zinc/66/25/92/858662592.db2.gz VKWZZNKYXFUEEM-UHFFFAOYSA-N -1 0 418.243 4.141 20 0 HIADRM O=C([O-])COc1cccc(CNC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)c1 ZINC000431541383 858662694 /nfs/dbraw/zinc/66/26/94/858662694.db2.gz HMRYGNXJKFWKCR-UHFFFAOYSA-N -1 0 417.870 4.478 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)c2)cn1 ZINC000431768151 858803475 /nfs/dbraw/zinc/80/34/75/858803475.db2.gz JJPGCEPIUCZOTF-JOCHJYFZSA-N -1 0 404.466 4.223 20 0 HIADRM CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1F ZINC000431771921 858804382 /nfs/dbraw/zinc/80/43/82/858804382.db2.gz PACQTYYRWJOMAF-UHFFFAOYSA-N -1 0 422.840 4.179 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)nn1-c1ccccc1Cl ZINC000431774794 858805692 /nfs/dbraw/zinc/80/56/92/858805692.db2.gz TWDTXYNILDFJLA-UHFFFAOYSA-N -1 0 420.252 4.203 20 0 HIADRM COc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1-c1ccccn1 ZINC000431777585 858806648 /nfs/dbraw/zinc/80/66/48/858806648.db2.gz ZCLQUCIJQXBVEI-UHFFFAOYSA-N -1 0 406.438 4.253 20 0 HIADRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)cc2cccnc21 ZINC000431777670 858806858 /nfs/dbraw/zinc/80/68/58/858806858.db2.gz BQFXDFBFZWELJA-MRXNPFEDSA-N -1 0 407.228 4.106 20 0 HIADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C3CC3)nc3ccccc32)c(OC)c1 ZINC000431777474 858806869 /nfs/dbraw/zinc/80/68/69/858806869.db2.gz BJDHLVSJJOIOTM-OAQYLSRUSA-N -1 0 420.465 4.075 20 0 HIADRM Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000431779546 858807594 /nfs/dbraw/zinc/80/75/94/858807594.db2.gz APXNROQDSUDRHF-QFIPXVFZSA-N -1 0 417.440 4.103 20 0 HIADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000431779746 858807692 /nfs/dbraw/zinc/80/76/92/858807692.db2.gz BKLJBAZOMJEZST-KUHUBIRLSA-N -1 0 419.905 4.258 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(Br)c1 ZINC000431780971 858808404 /nfs/dbraw/zinc/80/84/04/858808404.db2.gz APFXYKYFLOIIJM-CQSZACIVSA-N -1 0 400.631 4.106 20 0 HIADRM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000431784242 858809883 /nfs/dbraw/zinc/80/98/83/858809883.db2.gz WRWUNZQHIDDZJJ-ZDUSSCGKSA-N -1 0 412.515 4.066 20 0 HIADRM Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000431785051 858810976 /nfs/dbraw/zinc/81/09/76/858810976.db2.gz NYYHRFGYPIOVDC-INIZCTEOSA-N -1 0 419.264 4.383 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2Br)cc1 ZINC000431790147 858812589 /nfs/dbraw/zinc/81/25/89/858812589.db2.gz WDHXEUFJQDLPFW-HNNXBMFYSA-N -1 0 408.317 4.425 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CSc1cccc(Br)c1 ZINC000431789899 858812600 /nfs/dbraw/zinc/81/26/00/858812600.db2.gz USAIXLGVZRSSCG-INIZCTEOSA-N -1 0 408.317 4.182 20 0 HIADRM COc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc1-c1ccccn1 ZINC000431791310 858813348 /nfs/dbraw/zinc/81/33/48/858813348.db2.gz MWZGGRHREVKSBS-UHFFFAOYSA-N -1 0 404.466 4.264 20 0 HIADRM O=C([O-])C1(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCSCC1 ZINC000431792920 858814173 /nfs/dbraw/zinc/81/41/73/858814173.db2.gz ACJIGEWPLDWXHK-UHFFFAOYSA-N -1 0 417.339 4.197 20 0 HIADRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000431792380 858814477 /nfs/dbraw/zinc/81/44/77/858814477.db2.gz VMFZRGDHEUHXLH-UHFFFAOYSA-N -1 0 414.477 4.318 20 0 HIADRM O=C([O-])CCCOc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000431800097 858817603 /nfs/dbraw/zinc/81/76/03/858817603.db2.gz KEABYIVYRGCVGP-UHFFFAOYSA-N -1 0 414.845 4.149 20 0 HIADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 ZINC000431815569 858825250 /nfs/dbraw/zinc/82/52/50/858825250.db2.gz RVEJSWWNLLKJQZ-MFKMUULPSA-N -1 0 400.283 4.036 20 0 HIADRM CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000431866057 858845743 /nfs/dbraw/zinc/84/57/43/858845743.db2.gz SPDSSYNKJHGFIY-XOBRGWDASA-N -1 0 409.914 4.023 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc2ccccc2c1 ZINC000431882076 858853818 /nfs/dbraw/zinc/85/38/18/858853818.db2.gz IYXJDNZRTRVNNW-KRWDZBQOSA-N -1 0 402.219 4.297 20 0 HIADRM Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C(=O)[O-])c3ccc4ccccc4c3)c12 ZINC000431887296 858856221 /nfs/dbraw/zinc/85/62/21/858856221.db2.gz LTAKQVRRTCTBBP-FQEVSTJZSA-N -1 0 401.422 4.118 20 0 HIADRM CC(=O)N[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000431887365 858856354 /nfs/dbraw/zinc/85/63/54/858856354.db2.gz MOGQDSVMVMCNMN-RBBKRZOGSA-N -1 0 424.884 4.003 20 0 HIADRM C[C@@]1(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCCC[C@H]1C(=O)[O-] ZINC000431888543 858857104 /nfs/dbraw/zinc/85/71/04/858857104.db2.gz XOGOBDDHNUHPRJ-VBKZILBWSA-N -1 0 401.488 4.155 20 0 HIADRM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)[C@H]1C[C@@H]1C1CC1 ZINC000431965418 858891570 /nfs/dbraw/zinc/89/15/70/858891570.db2.gz KQIMRYQZMWBTLM-KGLIPLIRSA-N -1 0 408.882 4.265 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000431974933 858896927 /nfs/dbraw/zinc/89/69/27/858896927.db2.gz UUFILQRKVZYOJM-UHFFFAOYSA-N -1 0 401.331 4.187 20 0 HIADRM Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)n2)cc1F ZINC000431980265 858900733 /nfs/dbraw/zinc/90/07/33/858900733.db2.gz ILOPIUPLUGYPHZ-AWEZNQCLSA-N -1 0 411.433 4.019 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1)C(=O)[O-] ZINC000431982166 858901684 /nfs/dbraw/zinc/90/16/84/858901684.db2.gz PJJMMDKOBMWTEU-KRWDZBQOSA-N -1 0 416.477 4.479 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@@H](C)CC1CCCCC1)CC2 ZINC000431986587 858905967 /nfs/dbraw/zinc/90/59/67/858905967.db2.gz MIIJMBHKUHMRFX-HNAYVOBHSA-N -1 0 403.519 4.211 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1)C(=O)[O-] ZINC000431991534 858908974 /nfs/dbraw/zinc/90/89/74/858908974.db2.gz DGVZISLNHLJGDY-MRXNPFEDSA-N -1 0 406.438 4.155 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)Cc2cccc(OCc3cccnc3)c2)cc1)C(=O)[O-] ZINC000431992972 858909988 /nfs/dbraw/zinc/90/99/88/858909988.db2.gz QLLJSTHTTXLIKE-QGZVFWFLSA-N -1 0 404.466 4.105 20 0 HIADRM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000431999385 858913568 /nfs/dbraw/zinc/91/35/68/858913568.db2.gz CTLGAAYTYNVVAU-DYESRHJHSA-N -1 0 410.514 4.041 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1)C(=O)[O-] ZINC000432002884 858917139 /nfs/dbraw/zinc/91/71/39/858917139.db2.gz MYHOVBCQPIYTFV-LLVKDONJSA-N -1 0 419.359 4.271 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1oc3c(cccc3C)c1C)CC2 ZINC000432004224 858918644 /nfs/dbraw/zinc/91/86/44/858918644.db2.gz YLCLTABPUMKKNJ-GOSISDBHSA-N -1 0 423.465 4.281 20 0 HIADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cs1 ZINC000432050049 858951094 /nfs/dbraw/zinc/95/10/94/858951094.db2.gz YETNRGWGHAJMMH-UHFFFAOYSA-N -1 0 407.435 4.175 20 0 HIADRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)o1 ZINC000432064806 858962530 /nfs/dbraw/zinc/96/25/30/858962530.db2.gz WEZIBDCDUPXBNT-UHFFFAOYSA-N -1 0 405.394 4.097 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)[C@@H]1CCCOC1 ZINC000432089345 858981648 /nfs/dbraw/zinc/98/16/48/858981648.db2.gz OBUAZQYFSSRGPK-UHLUBPPHSA-N -1 0 422.717 4.471 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)N[C@H](c3ccc(Cl)cc3)C(F)(F)F)cc2=O)cc1 ZINC000467546649 881367436 /nfs/dbraw/zinc/36/74/36/881367436.db2.gz BJEADSLSKPRZFQ-QGZVFWFLSA-N -1 0 409.795 4.161 20 0 HIADRM O=C([O-])c1ccccc1CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000432102338 858991352 /nfs/dbraw/zinc/99/13/52/858991352.db2.gz JCBWYLXFRYUTTE-UHFFFAOYSA-N -1 0 408.841 4.472 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000432103019 858991518 /nfs/dbraw/zinc/99/15/18/858991518.db2.gz OGDJGRBVZKQGES-QRVBRYPASA-N -1 0 416.315 4.145 20 0 HIADRM COCc1c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)sc2cccc(F)c21 ZINC000432116272 858999786 /nfs/dbraw/zinc/99/97/86/858999786.db2.gz KTBFBKXOCGOSKF-OAHLLOKOSA-N -1 0 415.486 4.393 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1Cl ZINC000432119801 859000971 /nfs/dbraw/zinc/00/09/71/859000971.db2.gz JJNPELXFPUOQGI-CQSZACIVSA-N -1 0 410.695 4.308 20 0 HIADRM O=C([O-])c1ccc(C(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c(F)c1 ZINC000432122435 859001941 /nfs/dbraw/zinc/00/19/41/859001941.db2.gz 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ZINC000237419496 854028962 /nfs/dbraw/zinc/02/89/62/854028962.db2.gz KHBPNNODRXEGEF-SFHVURJKSA-N -1 0 410.495 4.328 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 ZINC000237425137 854030492 /nfs/dbraw/zinc/03/04/92/854030492.db2.gz HQVNHFJOXICSMV-FQEVSTJZSA-N -1 0 409.511 4.157 20 0 HIADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000237427870 854030704 /nfs/dbraw/zinc/03/07/04/854030704.db2.gz UIICTANPMRBLPU-MRXNPFEDSA-N -1 0 401.890 4.061 20 0 HIADRM Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000237428096 854031698 /nfs/dbraw/zinc/03/16/98/854031698.db2.gz VFVCXVUBRKCRSC-CYBMUJFWSA-N -1 0 412.873 4.180 20 0 HIADRM COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)o2)cc1 ZINC000237446328 854034790 /nfs/dbraw/zinc/03/47/90/854034790.db2.gz CGWVGHKVGFTZDL-UHFFFAOYSA-N -1 0 400.818 4.273 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)C(=O)[O-] ZINC000237483458 854043455 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4.161 20 0 HIADRM COc1ccc(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1C(=O)[O-] ZINC000237532846 854050602 /nfs/dbraw/zinc/05/06/02/854050602.db2.gz SCMLJHZLWFIHAD-UHFFFAOYSA-N -1 0 408.435 4.193 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237534523 854051256 /nfs/dbraw/zinc/05/12/56/854051256.db2.gz OLLUKQFCROFFKR-STQMWFEESA-N -1 0 400.338 4.033 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCCc2ccc(Br)s2)sc1C(=O)[O-] ZINC000237559377 854054559 /nfs/dbraw/zinc/05/45/59/854054559.db2.gz ALGLRFWBALWDRJ-SECBINFHSA-N -1 0 417.350 4.174 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Br)C(=O)[O-] ZINC000237561236 854055335 /nfs/dbraw/zinc/05/53/35/854055335.db2.gz ZHNPDJUCNZEYEA-MEDUHNTESA-N -1 0 420.328 4.432 20 0 HIADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237560903 854055358 /nfs/dbraw/zinc/05/53/58/854055358.db2.gz PRSIUQJOQNRUFK-PXAZEXFGSA-N -1 0 408.267 4.099 20 0 HIADRM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237577702 854056994 /nfs/dbraw/zinc/05/69/94/854056994.db2.gz LXWWUTJASDLGMG-KSSFIOAISA-N -1 0 420.303 4.186 20 0 HIADRM Cc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cnn1Cc1ccccc1 ZINC000237580361 854058688 /nfs/dbraw/zinc/05/86/88/854058688.db2.gz OENXGCWMYUIKPW-UHFFFAOYSA-N -1 0 409.511 4.200 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)sc1C(=O)[O-] ZINC000237586632 854059314 /nfs/dbraw/zinc/05/93/14/854059314.db2.gz YQHPGGGXXWFYSB-LLVKDONJSA-N -1 0 419.890 4.268 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1[nH]c2ccccc2c1Br ZINC000237610630 854061483 /nfs/dbraw/zinc/06/14/83/854061483.db2.gz JKGRMPLPWUDHCO-OAHLLOKOSA-N -1 0 401.260 4.185 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)C1CCCCC1 ZINC000237616890 854062806 /nfs/dbraw/zinc/06/28/06/854062806.db2.gz XUWBNUPOUSMPMY-HSZRJFAPSA-N -1 0 400.519 4.313 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)C1CCCCC1 ZINC000237617698 854063553 /nfs/dbraw/zinc/06/35/53/854063553.db2.gz VUKPUBNRUOFVFO-HSZRJFAPSA-N -1 0 410.518 4.281 20 0 HIADRM C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237620150 854063635 /nfs/dbraw/zinc/06/36/35/854063635.db2.gz DLQLEYIVUJCNFI-QMMMGPOBSA-N -1 0 415.660 4.102 20 0 HIADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237620626 854063648 /nfs/dbraw/zinc/06/36/48/854063648.db2.gz OXVVKWOKNXWVBR-DYVFJYSZSA-N -1 0 422.344 4.403 20 0 HIADRM C[C@@H](SCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237620731 854063846 /nfs/dbraw/zinc/06/38/46/854063846.db2.gz OJWBPYCGSNXQMC-DYVFJYSZSA-N -1 0 422.344 4.403 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)sc1C(=O)[O-] ZINC000237621031 854064031 /nfs/dbraw/zinc/06/40/31/854064031.db2.gz YQHPGGGXXWFYSB-NSHDSACASA-N -1 0 419.890 4.268 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC(C)(C)CCC(=O)[O-])cc12 ZINC000237625639 854064736 /nfs/dbraw/zinc/06/47/36/854064736.db2.gz VBOZXWCODPGVDR-UHFFFAOYSA-N -1 0 405.907 4.422 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000237630525 854065038 /nfs/dbraw/zinc/06/50/38/854065038.db2.gz IWCHOPRJTQHLGV-UGSOOPFHSA-N -1 0 417.387 4.083 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2)c(C)c1Cl ZINC000237630923 854065053 /nfs/dbraw/zinc/06/50/53/854065053.db2.gz JPXLHSKPUGGZSQ-RBZFPXEDSA-N -1 0 411.889 4.334 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1C ZINC000237643420 854066665 /nfs/dbraw/zinc/06/66/65/854066665.db2.gz VRZNJHUZLMVALW-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000237655671 854068748 /nfs/dbraw/zinc/06/87/48/854068748.db2.gz FCLIOVKULKNCJV-HSZRJFAPSA-N -1 0 408.523 4.120 20 0 HIADRM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237654161 854069079 /nfs/dbraw/zinc/06/90/79/854069079.db2.gz IXKCXDPTXWIESL-UHFFFAOYSA-N -1 0 416.433 4.448 20 0 HIADRM Cc1ccc(C)c(CC(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)c1 ZINC000237662856 854070805 /nfs/dbraw/zinc/07/08/05/854070805.db2.gz XMRUXNHVWFOTMV-UHFFFAOYSA-N -1 0 417.387 4.387 20 0 HIADRM Cc1ccc(C)c(OCCCCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000237670375 854073077 /nfs/dbraw/zinc/07/30/77/854073077.db2.gz SWLLGMNRGHKVIJ-UHFFFAOYSA-N -1 0 409.526 4.498 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000237678893 854073898 /nfs/dbraw/zinc/07/38/98/854073898.db2.gz RKIGIKUZDOGOGQ-PIGZYNQJSA-N -1 0 401.260 4.122 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1NC(=O)c1ccco1 ZINC000237679769 854074398 /nfs/dbraw/zinc/07/43/98/854074398.db2.gz SYYCJOSGCGBDKU-FOIQADDNSA-N -1 0 406.438 4.032 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000237692810 854077051 /nfs/dbraw/zinc/07/70/51/854077051.db2.gz FOPRMBHDZYMIJY-BHIYHBOVSA-N -1 0 405.416 4.177 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000237690933 854077071 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HIADRM Cc1nc([C@H](C)NC(=O)c2cc(-c3ccccn3)ccc2Cl)sc1C(=O)[O-] ZINC000431999404 858914809 /nfs/dbraw/zinc/91/48/09/858914809.db2.gz JDZMUEUUHZCFKR-NSHDSACASA-N -1 0 401.875 4.356 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000432001645 858915941 /nfs/dbraw/zinc/91/59/41/858915941.db2.gz YQUWRUMHNDWKCW-NXOUGTEYSA-N -1 0 402.288 4.455 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)sc1C(=O)[O-] ZINC000432002537 858917111 /nfs/dbraw/zinc/91/71/11/858917111.db2.gz LKXRYKLBONQFRW-KXBFYZLASA-N -1 0 421.522 4.131 20 0 HIADRM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)C2)c1 ZINC000432003166 858917794 /nfs/dbraw/zinc/91/77/94/858917794.db2.gz OQEDOUJITWAGQA-ICSRJNTNSA-N -1 0 422.525 4.058 20 0 HIADRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432003629 858918215 /nfs/dbraw/zinc/91/82/15/858918215.db2.gz SAIYEGGGGVXMJJ-CQSZACIVSA-N -1 0 406.486 4.405 20 0 HIADRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000432057089 858956122 /nfs/dbraw/zinc/95/61/22/858956122.db2.gz JHGKDEIAVBUMNE-UHFFFAOYSA-N -1 0 403.422 4.345 20 0 HIADRM CCOc1ccc(Cl)cc1CCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000432097523 858986787 /nfs/dbraw/zinc/98/67/87/858986787.db2.gz JLMXMCVVEVVNFB-ZDUSSCGKSA-N -1 0 407.919 4.276 20 0 HIADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C1 ZINC000432101593 858990628 /nfs/dbraw/zinc/99/06/28/858990628.db2.gz BWIDZOPTMFRUMM-KBPBESRZSA-N -1 0 400.862 4.422 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000432103020 858991984 /nfs/dbraw/zinc/99/19/84/858991984.db2.gz OGDJGRBVZKQGES-QYZOEREBSA-N -1 0 416.315 4.145 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000432103018 858992048 /nfs/dbraw/zinc/99/20/48/858992048.db2.gz OGDJGRBVZKQGES-GUDVDZBRSA-N -1 0 416.315 4.145 20 0 HIADRM CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000432107261 858994429 /nfs/dbraw/zinc/99/44/29/858994429.db2.gz LYLTZYSDBPURGU-MRXNPFEDSA-N -1 0 423.538 4.491 20 0 HIADRM C[C@@]1(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CCCC[C@@H]1C(=O)[O-] ZINC000432111180 858996702 /nfs/dbraw/zinc/99/67/02/858996702.db2.gz WEKKNGXOHVBXER-KZULUSFZSA-N -1 0 414.449 4.397 20 0 HIADRM Cc1ccc(-c2nc(CC(=O)N[C@H](CCC(=O)[O-])Cc3ccccc3)cs2)cc1 ZINC000432114560 858998586 /nfs/dbraw/zinc/99/85/86/858998586.db2.gz CWAOOVNZMAKANF-LJQANCHMSA-N -1 0 408.523 4.253 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1NC(=O)c1ccco1 ZINC000432115811 858999674 /nfs/dbraw/zinc/99/96/74/858999674.db2.gz JDRCLGIFMGEQAZ-IBGZPJMESA-N -1 0 420.465 4.046 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000432118379 859000387 /nfs/dbraw/zinc/00/03/87/859000387.db2.gz XPDZNEPUSRXPLU-GOSISDBHSA-N -1 0 411.429 4.204 20 0 HIADRM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000432119475 859000547 /nfs/dbraw/zinc/00/05/47/859000547.db2.gz FSMPXFFNUJBTKO-INIZCTEOSA-N -1 0 411.502 4.069 20 0 HIADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC000432119365 859000847 /nfs/dbraw/zinc/00/08/47/859000847.db2.gz DSOOOULUVGXEGG-YTQUADARSA-N -1 0 417.550 4.180 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000432121578 859001621 /nfs/dbraw/zinc/00/16/21/859001621.db2.gz GZUZCNUNSOXJAP-QRVBRYPASA-N -1 0 416.315 4.145 20 0 HIADRM COCCOc1c(Cl)cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000432123851 859002823 /nfs/dbraw/zinc/00/28/23/859002823.db2.gz WVHVEUYXHSMHDT-UHFFFAOYSA-N -1 0 412.269 4.288 20 0 HIADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000432123657 859003147 /nfs/dbraw/zinc/00/31/47/859003147.db2.gz WALWENCCTTWGIW-UHFFFAOYSA-N -1 0 420.450 4.103 20 0 HIADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)ccc1NC(=O)CC(C)C ZINC000432126617 859005169 /nfs/dbraw/zinc/00/51/69/859005169.db2.gz OEXBKEWRXBBBIN-FQEVSTJZSA-N -1 0 410.514 4.186 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432129741 859006052 /nfs/dbraw/zinc/00/60/52/859006052.db2.gz LSDBZLFQIKHIGL-MGPUTAFESA-N -1 0 422.934 4.447 20 0 HIADRM CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432130325 859006811 /nfs/dbraw/zinc/00/68/11/859006811.db2.gz QIEUNPUHSYUVMP-INIZCTEOSA-N -1 0 414.477 4.016 20 0 HIADRM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432177890 859032092 /nfs/dbraw/zinc/03/20/92/859032092.db2.gz RCSDLQZYBQWFCM-UHFFFAOYSA-N -1 0 408.932 4.414 20 0 HIADRM COCCCOc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000432185042 859036362 /nfs/dbraw/zinc/03/63/62/859036362.db2.gz GLSKBVRCGOPSFI-UHFFFAOYSA-N -1 0 404.513 4.026 20 0 HIADRM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000432189811 859039010 /nfs/dbraw/zinc/03/90/10/859039010.db2.gz DIPHCHXMVIAZAB-UHFFFAOYSA-N -1 0 422.959 4.423 20 0 HIADRM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000432194221 859041095 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CCOc1cc(C(=O)N(C)CCc2cccc3ccccc32)ccc1OCC(=O)[O-] ZINC000485646570 900897702 /nfs/dbraw/zinc/89/77/02/900897702.db2.gz XOVQNOXRQCLBFB-UHFFFAOYSA-N -1 0 407.466 4.017 20 0 HIADRM COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000485650899 900903722 /nfs/dbraw/zinc/90/37/22/900903722.db2.gz CGKTWTKEEKOSDP-KRWDZBQOSA-N -1 0 404.466 4.062 20 0 HIADRM CCOc1c(Cl)cc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1OC ZINC000485653634 900906187 /nfs/dbraw/zinc/90/61/87/900906187.db2.gz JBYMXWTWXWLUKY-GFCCVEGCSA-N -1 0 423.918 4.243 20 0 HIADRM CCOc1cc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)ccc1OCC(=O)[O-] ZINC000485653958 900906223 /nfs/dbraw/zinc/90/62/23/900906223.db2.gz UIRQSHUQVADCFC-UHFFFAOYSA-N -1 0 410.426 4.073 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000485658342 900910256 /nfs/dbraw/zinc/91/02/56/900910256.db2.gz CRHOBSYEZUEDEC-OAHLLOKOSA-N -1 0 401.528 4.358 20 0 HIADRM CCOc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000485658975 900910387 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422.275 4.341 20 0 HIADRM O=C([O-])C[C@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccc(Br)c1 ZINC000485713668 900962858 /nfs/dbraw/zinc/96/28/58/900962858.db2.gz QOSIUUNYVZKUOH-ROUUACIJSA-N -1 0 402.288 4.201 20 0 HIADRM CCN(CCC(=O)[O-])C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1OC ZINC000485714099 900963029 /nfs/dbraw/zinc/96/30/29/900963029.db2.gz SKAZSBUYWBNYRO-UHFFFAOYSA-N -1 0 424.497 4.108 20 0 HIADRM Cc1cccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3cccc(Br)c3)oc21 ZINC000485714764 900964165 /nfs/dbraw/zinc/96/41/65/900964165.db2.gz VFOYXSRSUYPASD-HNNXBMFYSA-N -1 0 402.244 4.450 20 0 HIADRM Cc1ccccc1-n1nc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c2c1CCC2 ZINC000485718760 900967406 /nfs/dbraw/zinc/96/74/06/900967406.db2.gz LVOGTVOGSZQHLD-SFHVURJKSA-N -1 0 417.509 4.033 20 0 HIADRM CC1(C)[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000485721184 900970086 /nfs/dbraw/zinc/97/00/86/900970086.db2.gz UHEFPJGVIUJCLU-IPELMVKDSA-N -1 0 415.511 4.204 20 0 HIADRM 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938854902 /nfs/dbraw/zinc/85/49/02/938854902.db2.gz NHFAILYHKJPYOJ-UHFFFAOYSA-N -1 0 416.934 4.434 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)C(=O)[O-] ZINC000539569505 938881538 /nfs/dbraw/zinc/88/15/38/938881538.db2.gz SLYVYHZRUUBJBI-SFHVURJKSA-N -1 0 417.461 4.197 20 0 HIADRM COCc1c2ccccc2oc1C(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000539570115 938881551 /nfs/dbraw/zinc/88/15/51/938881551.db2.gz ZVNMARNHRXZMNY-INIZCTEOSA-N -1 0 422.264 4.312 20 0 HIADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1csc(-c3cccc(C(F)(F)F)c3)n1)CC2 ZINC000539573838 938881740 /nfs/dbraw/zinc/88/17/40/938881740.db2.gz LSVFSLYIXYLIRK-ZDUSSCGKSA-N -1 0 410.417 4.156 20 0 HIADRM O=C([O-])CCSCc1cccc(NC(=O)c2cc(Br)cs2)c1 ZINC000539571912 938881780 /nfs/dbraw/zinc/88/17/80/938881780.db2.gz VCNNWAFMCBCFKO-UHFFFAOYSA-N -1 0 400.319 4.471 20 0 HIADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1 ZINC000539572721 938881805 /nfs/dbraw/zinc/88/18/05/938881805.db2.gz LIQDLYPKEVZMGL-OAQYLSRUSA-N -1 0 421.449 4.442 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)nn1-c1ccccc1Cl ZINC000539597033 938885717 /nfs/dbraw/zinc/88/57/17/938885717.db2.gz HXTNXVKRWYHOML-UHFFFAOYSA-N -1 0 401.797 4.052 20 0 HIADRM CN(C(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCCC2)c1)c1ccccc1 ZINC000539605259 938886998 /nfs/dbraw/zinc/88/69/98/938886998.db2.gz OLMYITWEIWVLIG-NRFANRHFSA-N -1 0 408.498 4.117 20 0 HIADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000539605215 938887029 /nfs/dbraw/zinc/88/70/29/938887029.db2.gz NCUYLWHRXXMQDS-KGLIPLIRSA-N -1 0 409.360 4.163 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000539605079 938887070 /nfs/dbraw/zinc/88/70/70/938887070.db2.gz IPAYKRPKOVLFRH-HNNXBMFYSA-N -1 0 414.310 4.426 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000539605232 938887080 /nfs/dbraw/zinc/88/70/80/938887080.db2.gz OTJIZUXQENKPNL-QGZVFWFLSA-N -1 0 419.909 4.253 20 0 HIADRM Cc1ccc(SC2(C(=O)NCCc3ccc(OCC(=O)[O-])cc3)CCCC2)cc1 ZINC000539605844 938887208 /nfs/dbraw/zinc/88/72/08/938887208.db2.gz LLESZIQFJCDJLF-UHFFFAOYSA-N -1 0 413.539 4.222 20 0 HIADRM C/C=C/c1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c(OC)c1 ZINC000539612632 938887766 /nfs/dbraw/zinc/88/77/66/938887766.db2.gz CBQVNEBRJGOXJH-IDOMTICXSA-N -1 0 421.852 4.232 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000539613900 938888048 /nfs/dbraw/zinc/88/80/48/938888048.db2.gz WMUUYRNAFYQZJV-UHFFFAOYSA-N -1 0 424.906 4.410 20 0 HIADRM Cc1nc(-c2ccc(CCNC(=O)CCc3ccccc3C(=O)[O-])s2)cs1 ZINC000539675959 938898829 /nfs/dbraw/zinc/89/88/29/938898829.db2.gz XKQOHODVIIEWQV-UHFFFAOYSA-N -1 0 400.525 4.170 20 0 HIADRM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000539675553 938898905 /nfs/dbraw/zinc/89/89/05/938898905.db2.gz SOTZEQMNZZSRII-QGZVFWFLSA-N -1 0 418.287 4.062 20 0 HIADRM O=C([O-])c1cccc(CC(=O)Nc2ccc3[nH]c(Cc4ccccc4F)nc3c2)c1 ZINC000539682639 938899931 /nfs/dbraw/zinc/89/99/31/938899931.db2.gz 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COc1cccc(F)c1[C@@H](C)NC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000684733533 939035933 /nfs/dbraw/zinc/03/59/33/939035933.db2.gz HTSCBSNYXXGBSC-ABKXIKBNSA-N -1 0 415.248 4.327 20 0 HIADRM C[C@](NC(=O)N[C@H]1CCOC2(CCCC2)C1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000684740152 939041251 /nfs/dbraw/zinc/04/12/51/939041251.db2.gz IATLEUDISPDYTI-SCLBCKFNSA-N -1 0 415.317 4.084 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2sccc2Br)nn1C1CCCCC1 ZINC000563579823 945222470 /nfs/dbraw/zinc/22/24/70/945222470.db2.gz VVGNBVSEQLITTL-UHFFFAOYSA-N -1 0 404.355 4.322 20 0 HIADRM Cc1coc(-c2cccc(NC(=O)N[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)c2)n1 ZINC000684748308 939050388 /nfs/dbraw/zinc/05/03/88/939050388.db2.gz KWZHYPFMOCQVFU-INIZCTEOSA-N -1 0 403.797 4.390 20 0 HIADRM CC(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1 ZINC000684748377 939051116 /nfs/dbraw/zinc/05/11/16/939051116.db2.gz RDWCZSJCESPLLZ-KRWDZBQOSA-N -1 0 408.401 4.160 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000563589910 945223960 /nfs/dbraw/zinc/22/39/60/945223960.db2.gz OULKQPQVIRHQNA-UHFFFAOYSA-N -1 0 418.318 4.025 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000746365781 939061410 /nfs/dbraw/zinc/06/14/10/939061410.db2.gz IOQDHHGSNLXVLC-JLCFBVMHSA-N -1 0 409.461 4.064 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cc(-c2ccccn2)ccc1Cl)c1cc(F)ccc1F ZINC000761586025 939066954 /nfs/dbraw/zinc/06/69/54/939066954.db2.gz QJCVVSBRRIGAMS-SFHVURJKSA-N -1 0 402.784 4.236 20 0 HIADRM Cc1oc(-c2ccccc2F)nc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000762206246 939071356 /nfs/dbraw/zinc/07/13/56/939071356.db2.gz HGIHHLVKGBSPHZ-HXUWFJFHSA-N -1 0 404.397 4.498 20 0 HIADRM O=C([O-])[C@@H](NC(=O)/C=C\c1ccc(-c2ccccc2Cl)s1)[C@H]1CCCOC1 ZINC000762238590 939072812 /nfs/dbraw/zinc/07/28/12/939072812.db2.gz QLNIZVKDDIBBDH-FYOCAVBQSA-N -1 0 405.903 4.078 20 0 HIADRM O=C([O-])[C@H](NC(=O)/C=C\c1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000766939589 939075458 /nfs/dbraw/zinc/07/54/58/939075458.db2.gz 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853926910 /nfs/dbraw/zinc/92/69/10/853926910.db2.gz ZTEIWDUPTQKZDW-UHFFFAOYSA-N -1 0 424.476 4.037 20 0 HIADRM CCC[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000236846740 853928695 /nfs/dbraw/zinc/92/86/95/853928695.db2.gz OHKDSQRIAJVYEK-DIFFPNOSSA-N -1 0 411.424 4.186 20 0 HIADRM CC(C)c1ccc(-c2nc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)cs2)cc1 ZINC000236849232 853929126 /nfs/dbraw/zinc/92/91/26/853929126.db2.gz GTDNDNWVCVMBAM-QGZVFWFLSA-N -1 0 402.516 4.029 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000236863776 853929831 /nfs/dbraw/zinc/92/98/31/853929831.db2.gz YAZUSZBJBOTZFU-UHFFFAOYSA-N -1 0 410.495 4.488 20 0 HIADRM CCS[C@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)C(C)C ZINC000236872941 853931393 /nfs/dbraw/zinc/93/13/93/853931393.db2.gz SGWBWEVKQBIVII-AWEZNQCLSA-N -1 0 415.437 4.306 20 0 HIADRM CC(C)c1c(C(=O)Nc2cccc(OCC(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000236879413 853932044 /nfs/dbraw/zinc/93/20/44/853932044.db2.gz QLRQGYSOZBTXEY-UHFFFAOYSA-N -1 0 413.861 4.365 20 0 HIADRM CCOc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)ccc1C ZINC000236895811 853934050 /nfs/dbraw/zinc/93/40/50/853934050.db2.gz RFLMJMWVADVGJY-MRXNPFEDSA-N -1 0 406.276 4.102 20 0 HIADRM CCOc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000236921964 853938368 /nfs/dbraw/zinc/93/83/68/853938368.db2.gz TYEHNQGEZCBJCP-SFHVURJKSA-N -1 0 420.303 4.113 20 0 HIADRM CC[C@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC000236943423 853940597 /nfs/dbraw/zinc/94/05/97/853940597.db2.gz CMKIHSFGAQNMNH-BJOHPYRUSA-N -1 0 401.315 4.275 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)s2)cc1 ZINC000236986990 853947118 /nfs/dbraw/zinc/94/71/18/853947118.db2.gz LWCLZLCFLWNMQM-NJAFHUGGSA-N -1 0 414.527 4.375 20 0 HIADRM CCCn1c(C)c(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)c2cc(OC)ccc21 ZINC000237018336 853952395 /nfs/dbraw/zinc/95/23/95/853952395.db2.gz SPRJFSZXYAQPQI-LBPRGKRZSA-N -1 0 415.515 4.322 20 0 HIADRM CN(CCCC(=O)[O-])C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000237027130 853953359 /nfs/dbraw/zinc/95/33/59/853953359.db2.gz CDDRNIQNWXEJRF-UHFFFAOYSA-N -1 0 410.239 4.317 20 0 HIADRM Cc1ccc(Cn2cc(C(=O)N(C)CCCC(=O)[O-])c(-c3ccc(C)cc3)n2)cc1 ZINC000237032338 853953588 /nfs/dbraw/zinc/95/35/88/853953588.db2.gz VKEXTFKYGDTGIR-UHFFFAOYSA-N -1 0 405.498 4.152 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2sccc2-c2ccccc2)C(=O)[O-])cc1 ZINC000237033453 853954744 /nfs/dbraw/zinc/95/47/44/853954744.db2.gz GPHIQDOTOWGQPJ-SFHVURJKSA-N -1 0 409.507 4.487 20 0 HIADRM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237047952 853956536 /nfs/dbraw/zinc/95/65/36/853956536.db2.gz ONDYJKDFZLCKKT-UHFFFAOYSA-N -1 0 409.461 4.399 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000237059812 853959052 /nfs/dbraw/zinc/95/90/52/853959052.db2.gz PPJYJVNCWLQOKB-SNVBAGLBSA-N -1 0 401.488 4.202 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)CCCc3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237115768 853966220 /nfs/dbraw/zinc/96/62/20/853966220.db2.gz CBOLXBJCVSFNOH-UHFFFAOYSA-N -1 0 419.525 4.211 20 0 HIADRM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000237159730 853974054 /nfs/dbraw/zinc/97/40/54/853974054.db2.gz CWEFWAXFPXLPIP-MRXNPFEDSA-N -1 0 404.260 4.133 20 0 HIADRM COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237157706 853974546 /nfs/dbraw/zinc/97/45/46/853974546.db2.gz XBYIAVNGPDXUDJ-LBPRGKRZSA-N -1 0 410.289 4.195 20 0 HIADRM COc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1Br ZINC000237193293 853978601 /nfs/dbraw/zinc/97/86/01/853978601.db2.gz RKJVOHJEINSXAS-KRWDZBQOSA-N -1 0 420.303 4.031 20 0 HIADRM COCCCN1Cc2cccc(NC(=O)[C@@](C)(CC(=O)[O-])C3CCCCC3)c2C1 ZINC000237210447 853983560 /nfs/dbraw/zinc/98/35/60/853983560.db2.gz OSRQLNFETFOAIT-QHCPKHFHSA-N -1 0 402.535 4.039 20 0 HIADRM CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237239343 853988925 /nfs/dbraw/zinc/98/89/25/853988925.db2.gz PDBPAXZHCUTGEN-UHFFFAOYSA-N -1 0 401.422 4.103 20 0 HIADRM COc1ccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237237117 853989013 /nfs/dbraw/zinc/98/90/13/853989013.db2.gz DXVLMRBFVWKGSP-ACJLOTCBSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000237241595 853989168 /nfs/dbraw/zinc/98/91/68/853989168.db2.gz XETANBWPVCUEQL-AWEZNQCLSA-N -1 0 401.459 4.031 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237264912 853993280 /nfs/dbraw/zinc/99/32/80/853993280.db2.gz RLVIBMGTYRQGTD-RHSMWYFYSA-N -1 0 423.431 4.267 20 0 HIADRM COc1cc(CNC(=O)CCCCc2ccc(Br)cc2)ccc1C(=O)[O-] ZINC000237338006 854009883 /nfs/dbraw/zinc/00/98/83/854009883.db2.gz IRPJXIJGITZTDF-UHFFFAOYSA-N -1 0 420.303 4.185 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)ccc2Br)cc1 ZINC000237352359 854011769 /nfs/dbraw/zinc/01/17/69/854011769.db2.gz KAFSQEPNWLGSBF-OAHLLOKOSA-N -1 0 412.280 4.256 20 0 HIADRM COc1cc(OC)cc([C@@H](NCc2cc(Cl)cc(Cl)c2[O-])c2nccn2C)c1 ZINC000237362503 854014654 /nfs/dbraw/zinc/01/46/54/854014654.db2.gz OWPHTHQLZWUHME-GOSISDBHSA-N -1 0 422.312 4.329 20 0 HIADRM C[C@H](C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccc(Br)s1 ZINC000237413956 854026804 /nfs/dbraw/zinc/02/68/04/854026804.db2.gz FNOJMDCFDWURRJ-ZDUSSCGKSA-N -1 0 422.344 4.259 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1 ZINC000237415756 854027629 /nfs/dbraw/zinc/02/76/29/854027629.db2.gz ZBQWHJCWSFJXHQ-OAQYLSRUSA-N -1 0 423.538 4.216 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)sc1C(=O)[O-] ZINC000237422177 854029355 /nfs/dbraw/zinc/02/93/55/854029355.db2.gz OGDOJIKIHUWGGG-LSDHHAIUSA-N -1 0 410.495 4.461 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000237420846 854029428 /nfs/dbraw/zinc/02/94/28/854029428.db2.gz LGMBELALKNQFBR-HNNXBMFYSA-N -1 0 418.565 4.468 20 0 HIADRM COc1ccc(C[C@H](C)C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237433092 854032742 /nfs/dbraw/zinc/03/27/42/854032742.db2.gz NNQYIRCCFVAKAN-JTSKRJEESA-N -1 0 405.494 4.087 20 0 HIADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(Br)c1 ZINC000237450230 854036037 /nfs/dbraw/zinc/03/60/37/854036037.db2.gz KFTSSTPLPHFRSS-BCRSCGJKSA-N -1 0 404.260 4.261 20 0 HIADRM C[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccc(Br)s1 ZINC000237457633 854037222 /nfs/dbraw/zinc/03/72/22/854037222.db2.gz IHAYGWXADNEMQQ-NSHDSACASA-N -1 0 412.305 4.496 20 0 HIADRM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237466148 854038079 /nfs/dbraw/zinc/03/80/79/854038079.db2.gz BLOLHLOPBNCULT-DGCLKSJQSA-N -1 0 418.715 4.116 20 0 HIADRM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCCCCC(=O)[O-] ZINC000237467174 854039522 /nfs/dbraw/zinc/03/95/22/854039522.db2.gz ZUCTVGCEPNWRLN-LLVKDONJSA-N -1 0 406.704 4.021 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc(-c3ccco3)nc3ccccc32)sc1C(=O)[O-] ZINC000237471151 854040328 /nfs/dbraw/zinc/04/03/28/854040328.db2.gz QLFXXTTYHHIZIL-LBPRGKRZSA-N -1 0 407.451 4.449 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237481950 854042234 /nfs/dbraw/zinc/04/22/34/854042234.db2.gz YGCTWSDXZUHCQO-INIZCTEOSA-N -1 0 405.498 4.306 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000237484003 854043079 /nfs/dbraw/zinc/04/30/79/854043079.db2.gz NWZUVXSOXWYSMF-SNVBAGLBSA-N -1 0 400.422 4.324 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC000237493459 854043906 /nfs/dbraw/zinc/04/39/06/854043906.db2.gz HMHFXAYONXSNDH-SFHVURJKSA-N -1 0 404.466 4.024 20 0 HIADRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237525891 854050383 /nfs/dbraw/zinc/05/03/83/854050383.db2.gz QAEQKXJYZWODAB-OCCSQVGLSA-N -1 0 400.288 4.013 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000237538790 854051110 /nfs/dbraw/zinc/05/11/10/854051110.db2.gz NZBNXHLUADXFLF-LHSJRXKWSA-N -1 0 408.454 4.062 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000237536505 854051353 /nfs/dbraw/zinc/05/13/53/854051353.db2.gz VHQIMVTZDUJVKE-WCQGTBRESA-N -1 0 414.405 4.029 20 0 HIADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1F ZINC000237534423 854051437 /nfs/dbraw/zinc/05/14/37/854051437.db2.gz YFQBLUMIYSKHII-YVEFUNNKSA-N -1 0 408.267 4.414 20 0 HIADRM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237556153 854054602 /nfs/dbraw/zinc/05/46/02/854054602.db2.gz GRQAEPPMDWJJEO-BLLLJJGKSA-N -1 0 409.408 4.240 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1 ZINC000237569179 854056179 /nfs/dbraw/zinc/05/61/79/854056179.db2.gz CNAOGGNLPHUZBF-HRAATJIYSA-N -1 0 403.482 4.145 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000237573690 854057622 /nfs/dbraw/zinc/05/76/22/854057622.db2.gz WLSOZAWLMCWTDL-KSSFIOAISA-N -1 0 407.445 4.036 20 0 HIADRM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000237615580 854062602 /nfs/dbraw/zinc/06/26/02/854062602.db2.gz IZQWHZCODSGIDU-HNNXBMFYSA-N -1 0 420.440 4.196 20 0 HIADRM Cc1nc(C2CCCC2)sc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237616615 854062908 /nfs/dbraw/zinc/06/29/08/854062908.db2.gz JEBNBPUAZHMAGD-UHFFFAOYSA-N -1 0 402.516 4.283 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000237621262 854063835 /nfs/dbraw/zinc/06/38/35/854063835.db2.gz ULEFKEWWAORLCB-GOSISDBHSA-N -1 0 412.486 4.436 20 0 HIADRM C[C@H](CC(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000237639305 854066032 /nfs/dbraw/zinc/06/60/32/854066032.db2.gz XALAJOHXUQKFJW-CQSZACIVSA-N -1 0 409.404 4.021 20 0 HIADRM Cc1cc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])c(C)n1[C@@H](C)c1ccccc1 ZINC000237639896 854066738 /nfs/dbraw/zinc/06/67/38/854066738.db2.gz WVOPFRRZIKHLPG-KSFYIVLOSA-N -1 0 424.472 4.115 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccc1 ZINC000237654998 854069063 /nfs/dbraw/zinc/06/90/63/854069063.db2.gz XBARBMNCIXEZKP-AUUYWEPGSA-N -1 0 420.303 4.186 20 0 HIADRM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Oc2cccc(Br)c2)C1 ZINC000237654149 854069130 /nfs/dbraw/zinc/06/91/30/854069130.db2.gz YEWJBCRTNKHBIH-IBGZPJMESA-N -1 0 404.260 4.178 20 0 HIADRM Cc1ccc(OCc2nc(CC(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000237664926 854070961 /nfs/dbraw/zinc/07/09/61/854070961.db2.gz AEVFTKAKJXQVHS-OPAMFIHVSA-N -1 0 424.522 4.151 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000237667745 854071737 /nfs/dbraw/zinc/07/17/37/854071737.db2.gz XOTKRTYPBXQFHC-UHFFFAOYSA-N -1 0 402.497 4.211 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2)c(C)c1Cl ZINC000237668142 854071746 /nfs/dbraw/zinc/07/17/46/854071746.db2.gz ZLGWMQYIFYFAGJ-HNNXBMFYSA-N -1 0 403.891 4.150 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237667651 854071772 /nfs/dbraw/zinc/07/17/72/854071772.db2.gz OUQKHILQKXILTP-UHFFFAOYSA-N -1 0 400.456 4.136 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000237677324 854074145 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O=S(=O)([N-]c1nnc(SCc2cccs2)s1)c1cc(F)ccc1Cl ZINC000431321515 858563729 /nfs/dbraw/zinc/56/37/29/858563729.db2.gz RRKBZSCEXBETBA-UHFFFAOYSA-N -1 0 421.953 4.485 20 0 HIADRM CCSc1nnc([N-]S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)s1 ZINC000431336559 858571106 /nfs/dbraw/zinc/57/11/06/858571106.db2.gz JHJGTMDCEVMFMQ-UHFFFAOYSA-N -1 0 423.541 4.252 20 0 HIADRM O=S(=O)([N-]c1nnc(-c2ccccc2Cl)s1)c1cccc2cccnc21 ZINC000431343884 858573480 /nfs/dbraw/zinc/57/34/80/858573480.db2.gz JPJBJEUBDRDDRJ-UHFFFAOYSA-N -1 0 402.888 4.208 20 0 HIADRM Cc1ccc2cccc(C(=O)N[C@H](CC(=O)[O-])c3ccc(OC(F)(F)F)cc3)c2n1 ZINC000431428539 858610030 /nfs/dbraw/zinc/61/00/30/858610030.db2.gz DWAOBUUNNWSFJA-QGZVFWFLSA-N -1 0 418.371 4.388 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2sccc21)c1cccc(Br)c1 ZINC000431433071 858612655 /nfs/dbraw/zinc/61/26/55/858612655.db2.gz JKHAFFZBPWJYTK-HUUCEWRRSA-N -1 0 408.317 4.263 20 0 HIADRM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000431437670 858614659 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CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c12 ZINC000431776449 858806612 /nfs/dbraw/zinc/80/66/12/858806612.db2.gz QDFWSDFWJBXERP-CQSZACIVSA-N -1 0 413.518 4.406 20 0 HIADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)N3Cc4ccccc4[C@@H](C(=O)[O-])C3)c21 ZINC000431776903 858806664 /nfs/dbraw/zinc/80/66/64/858806664.db2.gz UUGLVXPPLWBCCI-KRWDZBQOSA-N -1 0 405.454 4.048 20 0 HIADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C3CC3)nc3ccccc32)c(OC)c1 ZINC000431777473 858806844 /nfs/dbraw/zinc/80/68/44/858806844.db2.gz BJDHLVSJJOIOTM-NRFANRHFSA-N -1 0 420.465 4.075 20 0 HIADRM Cc1cc(-c2cc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000431779697 858807720 /nfs/dbraw/zinc/80/77/20/858807720.db2.gz AYVJVERCWJCUDH-CYBMUJFWSA-N -1 0 424.501 4.214 20 0 HIADRM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000431781346 858808439 /nfs/dbraw/zinc/80/84/39/858808439.db2.gz KMVYYLKXGDCRKB-KKSFZXQISA-N -1 0 416.477 4.055 20 0 HIADRM 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858821208 /nfs/dbraw/zinc/82/12/08/858821208.db2.gz FRJALSRJEJIZEQ-AWEZNQCLSA-N -1 0 411.433 4.054 20 0 HIADRM O=C([O-])C[C@H](NC(=O)c1ccc(OCc2ccccc2)nc1)c1ccc(Cl)cc1 ZINC000431807029 858821226 /nfs/dbraw/zinc/82/12/26/858821226.db2.gz FAJJCCQZZBQCID-IBGZPJMESA-N -1 0 410.857 4.260 20 0 HIADRM Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431806580 858821254 /nfs/dbraw/zinc/82/12/54/858821254.db2.gz CBBZLJWTVMHHHM-KRWDZBQOSA-N -1 0 402.809 4.388 20 0 HIADRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000431815335 858825377 /nfs/dbraw/zinc/82/53/77/858825377.db2.gz RLIXJGNCQDDHPE-JTQLQIEISA-N -1 0 405.292 4.024 20 0 HIADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1-c1ccccn1 ZINC000431882102 858853971 /nfs/dbraw/zinc/85/39/71/858853971.db2.gz JEYNOSQEAKCTIJ-QHCPKHFHSA-N -1 0 412.445 4.466 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c2cc(Br)ccc2n1 ZINC000431981203 858902469 /nfs/dbraw/zinc/90/24/69/858902469.db2.gz LRVOMWVKBBZZCP-UHFFFAOYSA-N -1 0 415.243 4.021 20 0 HIADRM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000431983295 858903551 /nfs/dbraw/zinc/90/35/51/858903551.db2.gz UQXDRPBFPYCUFW-NWDGAFQWSA-N -1 0 423.296 4.014 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)CCCC1CCCCC1)CC2 ZINC000431984436 858904624 /nfs/dbraw/zinc/90/46/24/858904624.db2.gz XQHGONKTWZMMAM-LJQANCHMSA-N -1 0 403.519 4.355 20 0 HIADRM COCc1c(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)sc2cccc(F)c21 ZINC000431988062 858907084 /nfs/dbraw/zinc/90/70/84/858907084.db2.gz VOCBQKRBEWGLOA-UHFFFAOYSA-N -1 0 423.412 4.192 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000431992231 858908892 /nfs/dbraw/zinc/90/88/92/858908892.db2.gz NXJCWBZVDSNNHY-INIZCTEOSA-N -1 0 402.450 4.454 20 0 HIADRM Cc1ccccc1-n1nc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c2c1CCC2 ZINC000431997135 858912694 /nfs/dbraw/zinc/91/26/94/858912694.db2.gz DFLYIWMARPRJRE-MRXNPFEDSA-N -1 0 403.482 4.185 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCCn2ccc3cc(Cl)ccc32)sc1C(=O)[O-] ZINC000431997527 858913925 /nfs/dbraw/zinc/91/39/25/858913925.db2.gz AJBVJRVPSBMDTH-GFCCVEGCSA-N -1 0 405.907 4.415 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1)C(=O)[O-] ZINC000431998753 858914063 /nfs/dbraw/zinc/91/40/63/858914063.db2.gz ANOFEULZPPAVBM-LLVKDONJSA-N -1 0 401.260 4.446 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)C[C@H](C)c1ccccc1C)CC2 ZINC000431999574 858914824 /nfs/dbraw/zinc/91/48/24/858914824.db2.gz DPLWTERLQNVJKG-OXJNMPFZSA-N -1 0 411.498 4.107 20 0 HIADRM Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3nc(C)c(C(=O)[O-])s3)c12 ZINC000431999627 858915003 /nfs/dbraw/zinc/91/50/03/858915003.db2.gz QVCPAQYWWQFOGF-LBPRGKRZSA-N -1 0 422.466 4.152 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc3cc(C)cc(Br)c3o2)sc1C(=O)[O-] ZINC000432001409 858915791 /nfs/dbraw/zinc/91/57/91/858915791.db2.gz XFRRAVTTXGHGQG-SECBINFHSA-N -1 0 423.288 4.458 20 0 HIADRM O=C([O-])Cc1ccc(NC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)cc1 ZINC000432001789 858916062 /nfs/dbraw/zinc/91/60/62/858916062.db2.gz ZAEGCEYUGCJJKS-UHFFFAOYSA-N -1 0 422.441 4.014 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)cc1)C(=O)[O-] ZINC000432001557 858916582 /nfs/dbraw/zinc/91/65/82/858916582.db2.gz RGEBEFSLDBUNKV-GFCCVEGCSA-N -1 0 410.451 4.054 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000432003112 858917694 /nfs/dbraw/zinc/91/76/94/858917694.db2.gz OBKUXXVOCXWYIR-GOSISDBHSA-N -1 0 423.465 4.281 20 0 HIADRM Cc1c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cnn1-c1ccccn1 ZINC000432060279 858958545 /nfs/dbraw/zinc/95/85/45/858958545.db2.gz IYJYSFSTIKLKRW-UHFFFAOYSA-N -1 0 424.448 4.216 20 0 HIADRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)oc1C ZINC000432069276 858965963 /nfs/dbraw/zinc/96/59/63/858965963.db2.gz LINOVBRTGRBQJN-UHFFFAOYSA-N -1 0 405.394 4.015 20 0 HIADRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432068955 858966167 /nfs/dbraw/zinc/96/61/67/858966167.db2.gz HVGMZAMIFZCDGY-UHFFFAOYSA-N -1 0 421.462 4.484 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2ccc(Br)o2)cnn1-c1ccccc1C ZINC000432084129 858977457 /nfs/dbraw/zinc/97/74/57/858977457.db2.gz CUCNQQIWUQOSIF-UHFFFAOYSA-N -1 0 424.320 4.290 20 0 HIADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000432089937 858981005 /nfs/dbraw/zinc/98/10/05/858981005.db2.gz QCIZRSLWYVSPDN-IBGZPJMESA-N -1 0 422.506 4.206 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000432089938 858981599 /nfs/dbraw/zinc/98/15/99/858981599.db2.gz QCIZRSLWYVSPDN-LJQANCHMSA-N -1 0 422.506 4.206 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000432090434 858982766 /nfs/dbraw/zinc/98/27/66/858982766.db2.gz RRFMHFWQXVCIKE-NJAFHUGGSA-N -1 0 405.416 4.401 20 0 HIADRM C[C@]1(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC000432094331 858985144 /nfs/dbraw/zinc/98/51/44/858985144.db2.gz GJSATIMLIJKYQC-KOSHJBKYSA-N -1 0 405.498 4.108 20 0 HIADRM CC(C)n1cc(Br)cc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432094913 858985242 /nfs/dbraw/zinc/98/52/42/858985242.db2.gz HJYDLUPODMGVNA-INIZCTEOSA-N -1 0 407.308 4.037 20 0 HIADRM O=C([O-])COc1cccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000432099630 858989504 /nfs/dbraw/zinc/98/95/04/858989504.db2.gz SBOBRLUPFRVJET-WMZOPIPTSA-N -1 0 407.388 4.235 20 0 HIADRM COCC1(C)CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000432102081 858990478 /nfs/dbraw/zinc/99/04/78/858990478.db2.gz GQGCENLCLUEEDE-UHFFFAOYSA-N -1 0 403.500 4.159 20 0 HIADRM Cc1c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cnn1-c1ccccc1Cl ZINC000432104545 858992550 /nfs/dbraw/zinc/99/25/50/858992550.db2.gz AUJOMCZRBVQGOJ-KRWDZBQOSA-N -1 0 411.889 4.040 20 0 HIADRM CCOc1cc(C(=O)Nc2ccc(COc3ccccc3)cc2)ccc1OCC(=O)[O-] ZINC000432107868 858994626 /nfs/dbraw/zinc/99/46/26/858994626.db2.gz LZOKFUYQAPWMST-UHFFFAOYSA-N -1 0 421.449 4.380 20 0 HIADRM O=C([O-])c1ccc(CCC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)cc1 ZINC000432108098 858996247 /nfs/dbraw/zinc/99/62/47/858996247.db2.gz MMSUARBVDUOXDR-INIZCTEOSA-N -1 0 417.330 4.339 20 0 HIADRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432111525 858997237 /nfs/dbraw/zinc/99/72/37/858997237.db2.gz WUEKDOXBOWPUFS-MRXNPFEDSA-N -1 0 416.905 4.140 20 0 HIADRM O=C([O-])c1ccccc1CCC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000432110908 858997278 /nfs/dbraw/zinc/99/72/78/858997278.db2.gz VROBFFCGVRHCAH-MRXNPFEDSA-N -1 0 417.330 4.339 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000432115304 858999452 /nfs/dbraw/zinc/99/94/52/858999452.db2.gz WQGPCVZQAHJINC-CQSZACIVSA-N -1 0 415.287 4.136 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@]4(C)CCCC[C@H]4C(=O)[O-])cc3)o2)cc1 ZINC000432115404 858999712 /nfs/dbraw/zinc/99/97/12/858999712.db2.gz GVXDSDBVNZWKAC-YADARESESA-N -1 0 419.481 4.475 20 0 HIADRM O=C([O-])COc1cccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)c1 ZINC000432117436 859000432 /nfs/dbraw/zinc/00/04/32/859000432.db2.gz QNINLNJOZKJENI-UHFFFAOYSA-N -1 0 412.829 4.030 20 0 HIADRM CCOc1cc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)ccc1OCC(=O)[O-] ZINC000432118770 859000751 /nfs/dbraw/zinc/00/07/51/859000751.db2.gz ZCQPSOKFIMZLMC-CQSZACIVSA-N -1 0 420.531 4.270 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])c12 ZINC000432122827 859002091 /nfs/dbraw/zinc/00/20/91/859002091.db2.gz PVZWNDCCNURNPD-WAIKUNEKSA-N -1 0 412.534 4.135 20 0 HIADRM CCOc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)ccc1OCC(=O)[O-] ZINC000432125726 859004199 /nfs/dbraw/zinc/00/41/99/859004199.db2.gz VCVOPUDJEUGVCG-FQEVSTJZSA-N -1 0 411.498 4.176 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432129742 859006200 /nfs/dbraw/zinc/00/62/00/859006200.db2.gz LSDBZLFQIKHIGL-QRWLVFNGSA-N -1 0 422.934 4.447 20 0 HIADRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432128245 859006262 /nfs/dbraw/zinc/00/62/62/859006262.db2.gz XVNGCAUZKXOFIK-HNAYVOBHSA-N -1 0 407.432 4.476 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000432128341 859006382 /nfs/dbraw/zinc/00/63/82/859006382.db2.gz DVNJGLQUJUERRK-BJOOFOGMSA-N -1 0 405.903 4.165 20 0 HIADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000432131190 859008345 /nfs/dbraw/zinc/00/83/45/859008345.db2.gz VYPFAOLDVBGLNY-QFIPXVFZSA-N -1 0 416.477 4.145 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@H]1CCCOC1 ZINC000432132835 859009134 /nfs/dbraw/zinc/00/91/34/859009134.db2.gz HSMQALITVHTUAT-SCLBCKFNSA-N -1 0 424.280 4.395 20 0 HIADRM CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432182558 859035223 /nfs/dbraw/zinc/03/52/23/859035223.db2.gz ORLCFHRGRFZKGW-UHFFFAOYSA-N -1 0 408.932 4.483 20 0 HIADRM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cccc4cc(C)cnc43)c2)n1 ZINC000432191996 859039958 /nfs/dbraw/zinc/03/99/58/859039958.db2.gz LMMLSBLJMBDOTC-UHFFFAOYSA-N -1 0 408.483 4.265 20 0 HIADRM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000432210389 859048663 /nfs/dbraw/zinc/04/86/63/859048663.db2.gz MHRYIWNIOHMPEG-UHFFFAOYSA-N -1 0 423.288 4.277 20 0 HIADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)n1 ZINC000432314322 859099538 /nfs/dbraw/zinc/09/95/38/859099538.db2.gz NNHGCCXSTSFOKH-HSZRJFAPSA-N -1 0 416.456 4.072 20 0 HIADRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432349611 859114330 /nfs/dbraw/zinc/11/43/30/859114330.db2.gz WDZJXFOUOFCTHB-UHFFFAOYSA-N -1 0 419.300 4.321 20 0 HIADRM CCn1ccnc1[C@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000432443120 859166581 /nfs/dbraw/zinc/16/65/81/859166581.db2.gz UFVAYIGUHWAFGM-OAHLLOKOSA-N -1 0 416.938 4.256 20 0 HIADRM CC(C)Oc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ccc1C(N)=O ZINC000432480695 859185241 /nfs/dbraw/zinc/18/52/41/859185241.db2.gz WLACTELTSFCXEE-UHFFFAOYSA-N -1 0 418.902 4.180 20 0 HIADRM Cc1noc(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000432485869 859188875 /nfs/dbraw/zinc/18/88/75/859188875.db2.gz OZELKXNWQQSSCU-UHFFFAOYSA-N -1 0 419.331 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859269647 /nfs/dbraw/zinc/26/96/47/859269647.db2.gz LFLSCTGVAJEDKN-UHFFFAOYSA-N -1 0 416.268 4.012 20 0 HIADRM O=C(N=c1nc(-c2cccnc2)[n-]s1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000432685237 859293484 /nfs/dbraw/zinc/29/34/84/859293484.db2.gz KDUMBNAZTUQXNB-UHFFFAOYSA-N -1 0 411.490 4.277 20 0 HIADRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1Cl ZINC000432772121 859352821 /nfs/dbraw/zinc/35/28/21/859352821.db2.gz QEHXBWHLORVRJD-UHFFFAOYSA-N -1 0 424.931 4.493 20 0 HIADRM CC(C)(C)OC1CC(CCNC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C1 ZINC000433078650 859513077 /nfs/dbraw/zinc/51/30/77/859513077.db2.gz SVQFLPCUGYKLGL-UHFFFAOYSA-N -1 0 408.955 4.386 20 0 HIADRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)s1 ZINC000433490254 859730095 /nfs/dbraw/zinc/73/00/95/859730095.db2.gz HBBOVWXKHAMNFG-UHFFFAOYSA-N -1 0 421.931 4.466 20 0 HIADRM CO[C@H](C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000433508414 859741414 /nfs/dbraw/zinc/74/14/14/859741414.db2.gz FWQXMDYKOORQPE-LLVKDONJSA-N -1 0 424.931 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ZINC000236702434 853913351 /nfs/dbraw/zinc/91/33/51/853913351.db2.gz AOCXOBZUVCXUBB-SFHVURJKSA-N -1 0 413.518 4.290 20 0 HIADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000236693585 853913383 /nfs/dbraw/zinc/91/33/83/853913383.db2.gz AOCXOBZUVCXUBB-GOSISDBHSA-N -1 0 413.518 4.290 20 0 HIADRM CCCCCC[C@@](C)(NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000236696430 853913442 /nfs/dbraw/zinc/91/34/42/853913442.db2.gz MLGLMKXCUSUETK-HXPMCKFVSA-N -1 0 417.333 4.042 20 0 HIADRM CC(C)COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000236709213 853914514 /nfs/dbraw/zinc/91/45/14/853914514.db2.gz RIWINFBKMDCIHQ-DYESRHJHSA-N -1 0 421.497 4.099 20 0 HIADRM CC(=O)N(Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1)C1CC1 ZINC000236724370 853916421 /nfs/dbraw/zinc/91/64/21/853916421.db2.gz URJHEJHEUPHXPA-HSZRJFAPSA-N -1 0 400.519 4.197 20 0 HIADRM CCC(CC)n1nccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000236737634 853917237 /nfs/dbraw/zinc/91/72/37/853917237.db2.gz UABYBQRUEFCCRM-OAHLLOKOSA-N -1 0 413.396 4.089 20 0 HIADRM CC1(C)CCCN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)CC1 ZINC000236744663 853918298 /nfs/dbraw/zinc/91/82/98/853918298.db2.gz XTCHXEKBBDZALM-UHFFFAOYSA-N -1 0 409.408 4.242 20 0 HIADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000236749796 853919728 /nfs/dbraw/zinc/91/97/28/853919728.db2.gz UDONJKNOGYCVQX-HXUWFJFHSA-N -1 0 408.498 4.316 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000236763767 853920121 /nfs/dbraw/zinc/92/01/21/853920121.db2.gz SBYJBNWJHOIVBK-UHFFFAOYSA-N -1 0 410.923 4.257 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CCC(=O)[O-])C(C)C)cc12 ZINC000236776292 853921620 /nfs/dbraw/zinc/92/16/20/853921620.db2.gz BOMRFSHVLQAYJQ-UHFFFAOYSA-N -1 0 419.934 4.433 20 0 HIADRM CC(=O)N(Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1)C(C)C ZINC000236803285 853924633 /nfs/dbraw/zinc/92/46/33/853924633.db2.gz HENNZTBNIJOGPZ-QHCPKHFHSA-N -1 0 402.535 4.443 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cc1 ZINC000236812274 853925722 /nfs/dbraw/zinc/92/57/22/853925722.db2.gz CZNJXMXHHYRZOS-HNNXBMFYSA-N -1 0 407.470 4.157 20 0 HIADRM CCC[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000236846052 853928739 /nfs/dbraw/zinc/92/87/39/853928739.db2.gz OHKDSQRIAJVYEK-PIGZYNQJSA-N -1 0 411.424 4.186 20 0 HIADRM CCC(CC)(CNC(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(=O)[O-] ZINC000236850259 853929153 /nfs/dbraw/zinc/92/91/53/853929153.db2.gz IVTPSPYQQRROMZ-UHFFFAOYSA-N -1 0 422.481 4.235 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@H]3CCC(=O)[O-])s2)cc1 ZINC000236864298 853930286 /nfs/dbraw/zinc/93/02/86/853930286.db2.gz GVUGIDKXZADIIH-INIZCTEOSA-N -1 0 402.516 4.377 20 0 HIADRM CCC(CC)(CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl)C(=O)[O-] ZINC000236887276 853932131 /nfs/dbraw/zinc/93/21/31/853932131.db2.gz NPBPJTFZBLKLAU-UHFFFAOYSA-N -1 0 412.317 4.167 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000236899226 853933974 /nfs/dbraw/zinc/93/39/74/853933974.db2.gz DCQRBNNLFRAMOL-UHFFFAOYSA-N -1 0 401.390 4.056 20 0 HIADRM CC[C@H](CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000236939980 853940355 /nfs/dbraw/zinc/94/03/55/853940355.db2.gz GOUFAWAANDTSRH-QGZVFWFLSA-N -1 0 408.498 4.146 20 0 HIADRM CC[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236940308 853940360 /nfs/dbraw/zinc/94/03/60/853940360.db2.gz OTHHBZBQFIJFKQ-UTKZUKDTSA-N -1 0 408.498 4.288 20 0 HIADRM CCOc1ccccc1NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000236960454 853943563 /nfs/dbraw/zinc/94/35/63/853943563.db2.gz VIGDUOUASOLQQW-UHFFFAOYSA-N -1 0 407.470 4.157 20 0 HIADRM CCCN(CCC)C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000236987524 853947136 /nfs/dbraw/zinc/94/71/36/853947136.db2.gz GKPKWPLNWZTWNB-UHFFFAOYSA-N -1 0 422.525 4.147 20 0 HIADRM CCc1cccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237005667 853950273 /nfs/dbraw/zinc/95/02/73/853950273.db2.gz RIDFKQRTQJXBGT-UHFFFAOYSA-N -1 0 403.360 4.404 20 0 HIADRM CCCn1c(C)c(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)c2cc(OC)ccc21 ZINC000237018402 853952267 /nfs/dbraw/zinc/95/22/67/853952267.db2.gz SPRJFSZXYAQPQI-GFCCVEGCSA-N -1 0 415.515 4.322 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 ZINC000237037321 853954769 /nfs/dbraw/zinc/95/47/69/853954769.db2.gz ZCOASFNHBMVOAY-UHFFFAOYSA-N -1 0 406.916 4.424 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237041553 853955886 /nfs/dbraw/zinc/95/58/86/853955886.db2.gz RKNGNBQECKKQLR-SNVBAGLBSA-N -1 0 401.315 4.371 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000237071343 853960112 /nfs/dbraw/zinc/96/01/12/853960112.db2.gz WPQXPXKPDMBNHS-SNVBAGLBSA-N -1 0 400.422 4.463 20 0 HIADRM COc1ccc(Cl)cc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237082918 853962158 /nfs/dbraw/zinc/96/21/58/853962158.db2.gz JZHCROYHVSILIY-HNNXBMFYSA-N -1 0 400.233 4.016 20 0 HIADRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000237207034 853982411 /nfs/dbraw/zinc/98/24/11/853982411.db2.gz PUXUEUWTHDULED-OAHLLOKOSA-N -1 0 409.813 4.183 20 0 HIADRM COc1ccccc1C[C@H](C)CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237249038 853990778 /nfs/dbraw/zinc/99/07/78/853990778.db2.gz FSPHZBBZXZBXKE-HNNXBMFYSA-N -1 0 406.482 4.028 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000237271497 853995352 /nfs/dbraw/zinc/99/53/52/853995352.db2.gz VZQOKNDMWGUJIS-OLMNPRSZSA-N -1 0 422.308 4.165 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccc(Br)c2)cc1 ZINC000237357164 854012564 /nfs/dbraw/zinc/01/25/64/854012564.db2.gz IMOCWWBHELOXBY-KRWDZBQOSA-N -1 0 422.344 4.436 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2cc(Br)ccc21)C(=O)[O-] ZINC000237368367 854015719 /nfs/dbraw/zinc/01/57/19/854015719.db2.gz SRWQSPXEUXEIAM-LLVKDONJSA-N -1 0 406.301 4.217 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccc(Br)s1)C(=O)[O-] ZINC000237377414 854018710 /nfs/dbraw/zinc/01/87/10/854018710.db2.gz AJEUJSNWGGHROD-SECBINFHSA-N -1 0 400.319 4.006 20 0 HIADRM COc1cc(CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000237386149 854019413 /nfs/dbraw/zinc/01/94/13/854019413.db2.gz ZKLHTLTVQCGTBR-CVEARBPZSA-N -1 0 422.506 4.369 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@H](C)c3ccc(F)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237418086 854028608 /nfs/dbraw/zinc/02/86/08/854028608.db2.gz PPHAZXZHBMVEAY-MRXNPFEDSA-N -1 0 423.488 4.479 20 0 HIADRM COc1ccc(C[C@@H](C)C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237423643 854029421 /nfs/dbraw/zinc/02/94/21/854029421.db2.gz NNQYIRCCFVAKAN-VGSWGCGISA-N -1 0 405.494 4.087 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 ZINC000237424845 854030769 /nfs/dbraw/zinc/03/07/69/854030769.db2.gz UHWNGGIUFLKLFK-NRFANRHFSA-N -1 0 423.538 4.216 20 0 HIADRM Cc1ccc(O[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(Br)c1 ZINC000237449128 854034993 /nfs/dbraw/zinc/03/49/93/854034993.db2.gz JIXSGVOMJSNWRJ-PBHICJAKSA-N -1 0 420.303 4.165 20 0 HIADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237457345 854037292 /nfs/dbraw/zinc/03/72/92/854037292.db2.gz CGNCKRUNCVZIDS-IBGZPJMESA-N -1 0 407.510 4.150 20 0 HIADRM C[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1cc2ccccc2o1 ZINC000237462940 854038146 /nfs/dbraw/zinc/03/81/46/854038146.db2.gz VNJMQLKNHBDYJN-HNNXBMFYSA-N -1 0 420.465 4.112 20 0 HIADRM C[C@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)C1CCCCC1 ZINC000237482866 854042528 /nfs/dbraw/zinc/04/25/28/854042528.db2.gz IQYMXJBQXMBFFP-LBPRGKRZSA-N -1 0 409.408 4.288 20 0 HIADRM COc1ccc2sc(C(=O)Nc3ccccc3-n3ccc(C(=O)[O-])n3)c(C)c2c1 ZINC000237488620 854044317 /nfs/dbraw/zinc/04/43/17/854044317.db2.gz KEZDSNANBWCGFM-UHFFFAOYSA-N -1 0 407.451 4.355 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000237524777 854049677 /nfs/dbraw/zinc/04/96/77/854049677.db2.gz HTEJZNMJWHBEGX-DTWKUNHWSA-N -1 0 403.287 4.101 20 0 HIADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1OCc1cccc(Br)c1 ZINC000237527793 854050396 /nfs/dbraw/zinc/05/03/96/854050396.db2.gz NPFSNMLAJJJWQV-ZDUSSCGKSA-N -1 0 406.276 4.011 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000237530508 854050656 /nfs/dbraw/zinc/05/06/56/854050656.db2.gz LZESUNUZTKWCHH-ONGXEEELSA-N -1 0 400.422 4.225 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000237537030 854051571 /nfs/dbraw/zinc/05/15/71/854051571.db2.gz IWCHOPRJTQHLGV-SCLBCKFNSA-N -1 0 417.387 4.083 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000237534546 854051613 /nfs/dbraw/zinc/05/16/13/854051613.db2.gz MKAHLGXDHGVXDV-APPDUMDISA-N -1 0 406.360 4.258 20 0 HIADRM Cc1cc(Br)ccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237544955 854052292 /nfs/dbraw/zinc/05/22/92/854052292.db2.gz BSTYITVOJIYPKJ-UHFFFAOYSA-N -1 0 402.288 4.016 20 0 HIADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000237542661 854052361 /nfs/dbraw/zinc/05/23/61/854052361.db2.gz IZQWHZCODSGIDU-OAHLLOKOSA-N -1 0 420.440 4.196 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)CCC(=O)[O-])cc12 ZINC000237541834 854052589 /nfs/dbraw/zinc/05/25/89/854052589.db2.gz GFVIIWPRAMXOET-NSHDSACASA-N -1 0 405.907 4.091 20 0 HIADRM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237555127 854053035 /nfs/dbraw/zinc/05/30/35/854053035.db2.gz CNCYCRRHVNAOSN-KRWDZBQOSA-N -1 0 423.538 4.109 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCc1cc(F)ccc1Br)C(=O)[O-] ZINC000237558046 854054609 /nfs/dbraw/zinc/05/46/09/854054609.db2.gz LANTXLOJIVRGQI-JTQLQIEISA-N -1 0 412.280 4.083 20 0 HIADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000237561718 854055408 /nfs/dbraw/zinc/05/54/08/854055408.db2.gz RKLCVVNLYZCCCS-SJKOYZFVSA-N -1 0 413.367 4.235 20 0 HIADRM C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1cccc(F)c1 ZINC000237570837 854056071 /nfs/dbraw/zinc/05/60/71/854056071.db2.gz QDEBFRPDBDUZQK-FOIQADDNSA-N -1 0 412.461 4.037 20 0 HIADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])cnn1-c1cccc(C(F)(F)F)c1 ZINC000237583335 854058116 /nfs/dbraw/zinc/05/81/16/854058116.db2.gz CDRRMAYNNSSRAI-UHFFFAOYSA-N -1 0 403.360 4.079 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCCCCC(=O)[O-])cc12 ZINC000237625914 854064965 /nfs/dbraw/zinc/06/49/65/854064965.db2.gz RENLRUHYTZBZMC-UHFFFAOYSA-N -1 0 405.907 4.424 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000237631710 854065750 /nfs/dbraw/zinc/06/57/50/854065750.db2.gz NZBNXHLUADXFLF-QKKBWIMNSA-N -1 0 408.454 4.062 20 0 HIADRM Cc1ccc(-n2nc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])c3c2CCC3)c(F)c1 ZINC000237636462 854066199 /nfs/dbraw/zinc/06/61/99/854066199.db2.gz IZJAWGFRJAPPMF-BTYIYWSLSA-N -1 0 421.472 4.000 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237656074 854068614 /nfs/dbraw/zinc/06/86/14/854068614.db2.gz 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O=C([O-])c1cnn(-c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)c1C(F)(F)F ZINC000431649024 858712180 /nfs/dbraw/zinc/71/21/80/858712180.db2.gz SMZDIYAGALMBFX-UHFFFAOYSA-N -1 0 417.334 4.353 20 0 HIADRM O=C([O-])c1cnn(-c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)c1C(F)(F)F ZINC000431649716 858712299 /nfs/dbraw/zinc/71/22/99/858712299.db2.gz QJLDNKJFMBGTIU-UHFFFAOYSA-N -1 0 417.334 4.353 20 0 HIADRM Cc1oc(CN(C)C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1C(=O)[O-] ZINC000431651146 858713203 /nfs/dbraw/zinc/71/32/03/858713203.db2.gz HOSHDUWQACYHEB-JOCHJYFZSA-N -1 0 404.466 4.049 20 0 HIADRM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)cc1 ZINC000431655850 858717008 /nfs/dbraw/zinc/71/70/08/858717008.db2.gz QMHMOLMYONZXHP-UHFFFAOYSA-N -1 0 424.840 4.199 20 0 HIADRM COc1ccc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)c2c1 ZINC000431656646 858717972 /nfs/dbraw/zinc/71/79/72/858717972.db2.gz ASTUZHOPHCENEO-UHFFFAOYSA-N -1 0 406.438 4.145 20 0 HIADRM CC(C)c1cccc(-c2ccc(C(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)o2)c1 ZINC000431657252 858718219 /nfs/dbraw/zinc/71/82/19/858718219.db2.gz HXCJKLBFKRWEEO-UHFFFAOYSA-N -1 0 406.438 4.137 20 0 HIADRM O=C([O-])CSCc1cccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c1 ZINC000431661623 858721225 /nfs/dbraw/zinc/72/12/25/858721225.db2.gz NRVYKDHSGASDIC-UHFFFAOYSA-N -1 0 408.479 4.231 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CSc1cccc(Br)c1)c1ccccc1 ZINC000431663736 858721902 /nfs/dbraw/zinc/72/19/02/858721902.db2.gz JECGMMUKHUVVSY-YVEFUNNKSA-N -1 0 408.317 4.119 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CSc1cccc(Br)c1)c1ccccc1 ZINC000431663733 858722324 /nfs/dbraw/zinc/72/23/24/858722324.db2.gz JECGMMUKHUVVSY-PXAZEXFGSA-N -1 0 408.317 4.119 20 0 HIADRM Cc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000431663720 858722335 /nfs/dbraw/zinc/72/23/35/858722335.db2.gz JAMOROMMIXRSBP-UHFFFAOYSA-N -1 0 415.902 4.404 20 0 HIADRM O=C([O-])CCSCc1cccc(NC(=O)c2cccc(Oc3cnccn3)c2)c1 ZINC000431667582 858725895 /nfs/dbraw/zinc/72/58/95/858725895.db2.gz ZPYOHWNVVNKFDC-UHFFFAOYSA-N -1 0 409.467 4.229 20 0 HIADRM COc1ccc(SC)c(OC)c1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431678036 858734608 /nfs/dbraw/zinc/73/46/08/858734608.db2.gz GRSFJOWAWALRPQ-UHFFFAOYSA-N -1 0 423.537 4.330 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)nn1-c1cccc(Cl)c1 ZINC000431767790 858802662 /nfs/dbraw/zinc/80/26/62/858802662.db2.gz HJRQGVGFBRJUAV-UHFFFAOYSA-N -1 0 420.252 4.203 20 0 HIADRM Cc1cc(C)c(Br)c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000431769258 858803455 /nfs/dbraw/zinc/80/34/55/858803455.db2.gz BQJBMDXYUNYKEC-HNNXBMFYSA-N -1 0 414.658 4.414 20 0 HIADRM Cc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1Br ZINC000431768379 858803513 /nfs/dbraw/zinc/80/35/13/858803513.db2.gz KFNCBSFIIRHONI-AWEZNQCLSA-N -1 0 400.631 4.106 20 0 HIADRM Cc1noc2nc(-c3ccccc3)cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)c12 ZINC000431782448 858809223 /nfs/dbraw/zinc/80/92/23/858809223.db2.gz PAAJRDRHLOORAW-LJQANCHMSA-N -1 0 413.433 4.022 20 0 HIADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(-c3ccccn3)c2C)c(OC)c1 ZINC000431784919 858810965 /nfs/dbraw/zinc/81/09/65/858810965.db2.gz NMEQMEBNRHTZFI-NRFANRHFSA-N -1 0 420.465 4.020 20 0 HIADRM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc1-c1ccccn1 ZINC000431789705 858812571 /nfs/dbraw/zinc/81/25/71/858812571.db2.gz TYTATQNTZJWKFJ-HXUWFJFHSA-N -1 0 422.506 4.425 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1cc(C2CC2)nc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000431789957 858812813 /nfs/dbraw/zinc/81/28/13/858812813.db2.gz VHKUEBIZGZBHFW-LJQANCHMSA-N -1 0 412.392 4.269 20 0 HIADRM COc1ccc2nc(C)cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(SC)cc3)c2c1 ZINC000431790787 858813521 /nfs/dbraw/zinc/81/35/21/858813521.db2.gz ZOGXZGNLKZLFTC-HXUWFJFHSA-N -1 0 410.495 4.220 20 0 HIADRM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1Br ZINC000431794936 858815206 /nfs/dbraw/zinc/81/52/06/858815206.db2.gz CJLBEAVHCYYZSN-CQSZACIVSA-N -1 0 414.658 4.496 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1ccc(OC(F)F)cc1 ZINC000431793828 858815342 /nfs/dbraw/zinc/81/53/42/858815342.db2.gz DGFQOVDSGQPTET-INIZCTEOSA-N -1 0 422.771 4.152 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)N(CCCC(=O)[O-])Cc3ccccc3)c2)cn1 ZINC000431804998 858820263 /nfs/dbraw/zinc/82/02/63/858820263.db2.gz OJARANMNZKNGTP-UHFFFAOYSA-N -1 0 418.493 4.476 20 0 HIADRM Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)c12 ZINC000431809588 858821961 /nfs/dbraw/zinc/82/19/61/858821961.db2.gz LRLQTFSUYHEDSR-INIZCTEOSA-N -1 0 419.840 4.393 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c12 ZINC000431813571 858824586 /nfs/dbraw/zinc/82/45/86/858824586.db2.gz ULWMIDFFIIPNAG-INIZCTEOSA-N -1 0 414.550 4.335 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)cc2=O)cc1 ZINC000467530448 881349471 /nfs/dbraw/zinc/34/94/71/881349471.db2.gz CLGPVMXAEPEOIR-OAQYLSRUSA-N -1 0 417.509 4.132 20 0 HIADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1OC(F)F ZINC000431862459 858844244 /nfs/dbraw/zinc/84/42/44/858844244.db2.gz ARVGAQZLXOQPMU-SFHVURJKSA-N -1 0 401.365 4.006 20 0 HIADRM O=C([O-])C1(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CCCCC1 ZINC000431864487 858844843 /nfs/dbraw/zinc/84/48/43/858844843.db2.gz WZWISUCIDFDCPM-UHFFFAOYSA-N -1 0 401.488 4.157 20 0 HIADRM O=C([O-])[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccc2ccccc2c1 ZINC000431866527 858845830 /nfs/dbraw/zinc/84/58/30/858845830.db2.gz VMBXLRGBXHBJGC-QHCPKHFHSA-N -1 0 416.502 4.372 20 0 HIADRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000431876095 858851641 /nfs/dbraw/zinc/85/16/41/858851641.db2.gz TWLPJUOFBBQGMX-UHFFFAOYSA-N -1 0 408.926 4.480 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1ccc(OCc2ccccn2)cc1)c1ccc2ccccc2c1 ZINC000431877547 858852451 /nfs/dbraw/zinc/85/24/51/858852451.db2.gz JHJUMRXZDXBZFA-QHCPKHFHSA-N -1 0 412.445 4.370 20 0 HIADRM CC(=O)N[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000431887363 858856113 /nfs/dbraw/zinc/85/61/13/858856113.db2.gz MOGQDSVMVMCNMN-IFMALSPDSA-N -1 0 424.884 4.003 20 0 HIADRM CC(=O)c1ccc(OCCCC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431889472 858857653 /nfs/dbraw/zinc/85/76/53/858857653.db2.gz KGTGAJRTDRVHRW-QHCPKHFHSA-N -1 0 405.450 4.144 20 0 HIADRM O=C([O-])C1(CNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)CCOCC1 ZINC000431889767 858857781 /nfs/dbraw/zinc/85/77/81/858857781.db2.gz NMAOVEJDJDBGDD-UHFFFAOYSA-N -1 0 414.310 4.333 20 0 HIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(OC2CCC2)cc1Cl ZINC000431974543 858897299 /nfs/dbraw/zinc/89/72/99/858897299.db2.gz SBKLXPPJJVYISX-UHFFFAOYSA-N -1 0 403.862 4.007 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000431977879 858899002 /nfs/dbraw/zinc/89/90/02/858899002.db2.gz QPXYEDDHTJRXIA-UHFFFAOYSA-N -1 0 406.772 4.000 20 0 HIADRM Cc1ccc(I)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000431979846 858900856 /nfs/dbraw/zinc/90/08/56/858900856.db2.gz FNGOCZIXTAMJBG-GFCCVEGCSA-N -1 0 423.250 4.115 20 0 HIADRM Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)n2)cc1F ZINC000431980266 858900889 /nfs/dbraw/zinc/90/08/89/858900889.db2.gz ILOPIUPLUGYPHZ-CQSZACIVSA-N -1 0 411.433 4.019 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1ccc3sccc3c1)CC2 ZINC000431995366 858911902 /nfs/dbraw/zinc/91/19/02/858911902.db2.gz YSZRGOYZRKKEBK-QGZVFWFLSA-N -1 0 411.479 4.133 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000431998899 858914048 /nfs/dbraw/zinc/91/40/48/858914048.db2.gz OENQJKUYBHFIMB-CABCVRRESA-N -1 0 413.342 4.201 20 0 HIADRM Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c3cnn(C(C)C)c3n2)cc1 ZINC000432000654 858914831 /nfs/dbraw/zinc/91/48/31/858914831.db2.gz HVSJTVQBRNLUAJ-HXUWFJFHSA-N -1 0 406.486 4.067 20 0 HIADRM COc1c(Br)c(C)sc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432001333 858915984 /nfs/dbraw/zinc/91/59/84/858915984.db2.gz QDGDXKGKXFEOQZ-VIFPVBQESA-N -1 0 412.305 4.343 20 0 HIADRM CC[C@H](CC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-])c1ccccc1 ZINC000432001934 858916173 /nfs/dbraw/zinc/91/61/73/858916173.db2.gz IPPWVMCPAKITDM-OXQOHEQNSA-N -1 0 411.498 4.188 20 0 HIADRM COc1c(Br)c(C)sc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432001332 858916628 /nfs/dbraw/zinc/91/66/28/858916628.db2.gz QDGDXKGKXFEOQZ-SECBINFHSA-N -1 0 412.305 4.343 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1)C(=O)[O-] ZINC000432002753 858917304 /nfs/dbraw/zinc/91/73/04/858917304.db2.gz MRGPSWGODYZGDU-OAHLLOKOSA-N -1 0 422.506 4.194 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1)C(=O)[O-] ZINC000432002752 858917788 /nfs/dbraw/zinc/91/77/88/858917788.db2.gz MRGPSWGODYZGDU-HNNXBMFYSA-N -1 0 422.506 4.194 20 0 HIADRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000432004356 858918548 /nfs/dbraw/zinc/91/85/48/858918548.db2.gz ZHUVVHSHCLMZFB-CYBMUJFWSA-N -1 0 402.878 4.450 20 0 HIADRM CC(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000432004357 858918828 /nfs/dbraw/zinc/91/88/28/858918828.db2.gz ZHUVVHSHCLMZFB-ZDUSSCGKSA-N -1 0 402.878 4.450 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)cc1)C(=O)[O-] ZINC000432003642 858918858 /nfs/dbraw/zinc/91/88/58/858918858.db2.gz SDXTYALXDPVMNN-INIZCTEOSA-N -1 0 408.498 4.009 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@@H]1CC[C@H]3CCCC[C@@H]3C1)CC2 ZINC000432005681 858920194 /nfs/dbraw/zinc/92/01/94/858920194.db2.gz GPWZYWMEESNFDU-CIWUYKSXSA-N -1 0 415.530 4.211 20 0 HIADRM CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432094689 858985458 /nfs/dbraw/zinc/98/54/58/858985458.db2.gz VDJAWHIFKBXGLA-UHFFFAOYSA-N -1 0 417.712 4.170 20 0 HIADRM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000432097445 858986384 /nfs/dbraw/zinc/98/63/84/858986384.db2.gz JAXFUHUDKGYIFN-OAHLLOKOSA-N -1 0 410.495 4.415 20 0 HIADRM C[C@@]1(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCCC[C@@H]1C(=O)[O-] ZINC000432099446 858988844 /nfs/dbraw/zinc/98/88/44/858988844.db2.gz RHFKABJNOLSHHK-OXQOHEQNSA-N -1 0 422.934 4.068 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)C(=O)[O-] ZINC000432100544 858989144 /nfs/dbraw/zinc/98/91/44/858989144.db2.gz UWHKUXUKBXAEAX-CZUORRHYSA-N -1 0 405.903 4.199 20 0 HIADRM C[C@@]1(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CCCC[C@H]1C(=O)[O-] ZINC000432099445 858989169 /nfs/dbraw/zinc/98/91/69/858989169.db2.gz RHFKABJNOLSHHK-OXJNMPFZSA-N -1 0 422.934 4.068 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)C(=O)[O-] ZINC000432100545 858989362 /nfs/dbraw/zinc/98/93/62/858989362.db2.gz UWHKUXUKBXAEAX-XJKSGUPXSA-N -1 0 405.903 4.199 20 0 HIADRM CCOc1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)ccc1OCC(=O)[O-] ZINC000432101945 858990324 /nfs/dbraw/zinc/99/03/24/858990324.db2.gz FOHTXHCWUUWUDW-UHFFFAOYSA-N -1 0 412.467 4.288 20 0 HIADRM O=C([O-])c1cccc(CC(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)c1 ZINC000432102326 858991457 /nfs/dbraw/zinc/99/14/57/858991457.db2.gz JBBLGHIIHXGMKW-UHFFFAOYSA-N -1 0 408.841 4.472 20 0 HIADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000432108935 858995497 /nfs/dbraw/zinc/99/54/97/858995497.db2.gz QZYQDXXKBRJUDA-QFIPXVFZSA-N -1 0 415.511 4.303 20 0 HIADRM O=C([O-])c1ccc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)c(F)c1 ZINC000432110422 858997287 /nfs/dbraw/zinc/99/72/87/858997287.db2.gz TVZRKNLRUHYGLM-CYBMUJFWSA-N -1 0 407.266 4.159 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@]4(C)CCCC[C@H]4C(=O)[O-])cc3)o2)cc1 ZINC000432115401 858999142 /nfs/dbraw/zinc/99/91/42/858999142.db2.gz GVXDSDBVNZWKAC-CYFREDJKSA-N -1 0 419.481 4.475 20 0 HIADRM Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1NC(=O)c1ccco1 ZINC000432115812 858999485 /nfs/dbraw/zinc/99/94/85/858999485.db2.gz JDRCLGIFMGEQAZ-LJQANCHMSA-N -1 0 420.465 4.046 20 0 HIADRM O=C([O-])C1(CC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)CCC1 ZINC000432120246 859001505 /nfs/dbraw/zinc/00/15/05/859001505.db2.gz ODDYRPVZNZIPTM-UHFFFAOYSA-N -1 0 405.248 4.220 20 0 HIADRM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)s1 ZINC000432121327 859002105 /nfs/dbraw/zinc/00/21/05/859002105.db2.gz VKJLEUGKDILGRW-AWEZNQCLSA-N -1 0 417.531 4.362 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)[C@H]1CCCOC1 ZINC000432124224 859002697 /nfs/dbraw/zinc/00/26/97/859002697.db2.gz YQRNFYCKUYBUDN-KBXCAEBGSA-N -1 0 423.387 4.107 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432127345 859004930 /nfs/dbraw/zinc/00/49/30/859004930.db2.gz FJYWCHHWEVXNFX-SFHVURJKSA-N -1 0 411.889 4.040 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000432128344 859005771 /nfs/dbraw/zinc/00/57/71/859005771.db2.gz DVNJGLQUJUERRK-XZOAIXRZSA-N -1 0 405.903 4.165 20 0 HIADRM Cc1cc(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)cc(C)c1OCC(=O)[O-] ZINC000432128521 859006002 /nfs/dbraw/zinc/00/60/02/859006002.db2.gz YTZREQKPNIMHSP-QGZVFWFLSA-N -1 0 415.490 4.031 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)C(=O)[O-] ZINC000432128021 859006416 /nfs/dbraw/zinc/00/64/16/859006416.db2.gz WQYUGIDCMCCTNM-AWEZNQCLSA-N -1 0 421.478 4.151 20 0 HIADRM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 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854002715 /nfs/dbraw/zinc/00/27/15/854002715.db2.gz GOCLAQAHMANQTN-DHDCSXOGSA-N -1 0 413.779 4.309 20 0 HIADRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237325240 854006606 /nfs/dbraw/zinc/00/66/06/854006606.db2.gz ZYCDADDAQIYMTP-IINYFYTJSA-N -1 0 414.296 4.161 20 0 HIADRM COc1cc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1C(=O)[O-] ZINC000237333432 854008811 /nfs/dbraw/zinc/00/88/11/854008811.db2.gz SDQXTVUIZVAROF-UHFFFAOYSA-N -1 0 416.886 4.409 20 0 HIADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237341758 854009456 /nfs/dbraw/zinc/00/94/56/854009456.db2.gz WIERPESSLTVDQT-DOMZBBRYSA-N -1 0 408.907 4.082 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237349619 854010703 /nfs/dbraw/zinc/01/07/03/854010703.db2.gz HPARONDXEZJQKE-TZMCWYRMSA-N -1 0 400.338 4.176 20 0 HIADRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000237348386 854010875 /nfs/dbraw/zinc/01/08/75/854010875.db2.gz 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/nfs/dbraw/zinc/04/08/85/854040885.db2.gz KDFJIJVQPVEMCR-JTSKRJEESA-N -1 0 405.494 4.402 20 0 HIADRM C[C@@H](CN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C1CC1)C(=O)[O-] ZINC000237473493 854041473 /nfs/dbraw/zinc/04/14/73/854041473.db2.gz ZKMGDAHWBIGOGR-HNNXBMFYSA-N -1 0 414.527 4.035 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3nc(C)c(C(=O)[O-])s3)cc2)c(C)c1Cl ZINC000237482539 854041901 /nfs/dbraw/zinc/04/19/01/854041901.db2.gz DHIMAJCZGWZTIZ-NSHDSACASA-N -1 0 418.906 4.097 20 0 HIADRM C[C@H](CCOc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237478812 854041951 /nfs/dbraw/zinc/04/19/51/854041951.db2.gz CMMUBQYJFMDGHN-RDTXWAMCSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237478142 854042519 /nfs/dbraw/zinc/04/25/19/854042519.db2.gz JHVBFSLBJMAIHR-JTQLQIEISA-N -1 0 412.433 4.463 20 0 HIADRM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000237485461 854043146 /nfs/dbraw/zinc/04/31/46/854043146.db2.gz DEVVJGPGQVLWQN-AWEZNQCLSA-N -1 0 403.438 4.425 20 0 HIADRM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237489047 854044168 /nfs/dbraw/zinc/04/41/68/854044168.db2.gz JBJRUUACQDIOKN-KRWDZBQOSA-N -1 0 408.498 4.279 20 0 HIADRM COc1cccc(C2(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)CCCC2)c1 ZINC000237491387 854044260 /nfs/dbraw/zinc/04/42/60/854044260.db2.gz IOHBAAOOFGMVRB-UHFFFAOYSA-N -1 0 407.510 4.152 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237491250 854044512 /nfs/dbraw/zinc/04/45/12/854044512.db2.gz XHFCFPKCNZNBAC-LLVKDONJSA-N -1 0 415.795 4.028 20 0 HIADRM Cc1cc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)cc(C)c1OCC(=O)[O-] ZINC000237499117 854045115 /nfs/dbraw/zinc/04/51/15/854045115.db2.gz CBWLPFJIINTIRP-OAHLLOKOSA-N -1 0 410.495 4.381 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1csc(CCc2ccccc2)n1)C(=O)[O-] ZINC000237494670 854045270 /nfs/dbraw/zinc/04/52/70/854045270.db2.gz UWESXDUIDZKHRG-KRWDZBQOSA-N -1 0 408.523 4.291 20 0 HIADRM C[C@@H](NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000237495283 854045485 /nfs/dbraw/zinc/04/54/85/854045485.db2.gz MUTKVVBCEMVJCE-GFCCVEGCSA-N -1 0 403.360 4.080 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)sc1C(=O)[O-] ZINC000237503874 854046614 /nfs/dbraw/zinc/04/66/14/854046614.db2.gz NLXCMHHDPJZJDJ-LLVKDONJSA-N -1 0 412.433 4.468 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)sc1C(=O)[O-] ZINC000237509906 854047669 /nfs/dbraw/zinc/04/76/69/854047669.db2.gz UGAAXZYNRDVKSG-AWEZNQCLSA-N -1 0 424.526 4.014 20 0 HIADRM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237527432 854050297 /nfs/dbraw/zinc/05/02/97/854050297.db2.gz WIERPESSLTVDQT-WFASDCNBSA-N -1 0 408.907 4.082 20 0 HIADRM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237527328 854050587 /nfs/dbraw/zinc/05/05/87/854050587.db2.gz WIERPESSLTVDQT-SWLSCSKDSA-N -1 0 408.907 4.082 20 0 HIADRM C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237577635 854057634 /nfs/dbraw/zinc/05/76/34/854057634.db2.gz CMMUBQYJFMDGHN-KSSFIOAISA-N -1 0 420.303 4.186 20 0 HIADRM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237582184 854058158 /nfs/dbraw/zinc/05/81/58/854058158.db2.gz DFTSLZHXOWTSEG-IFIJOSMWSA-N -1 0 421.419 4.383 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCOc1ccccc1Br ZINC000237580978 854058720 /nfs/dbraw/zinc/05/87/20/854058720.db2.gz SPYPZYAZMNAGMI-QGZVFWFLSA-N -1 0 420.303 4.249 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000237594132 854059835 /nfs/dbraw/zinc/05/98/35/854059835.db2.gz KEUZYFDMKMGJLZ-LJQANCHMSA-N -1 0 412.486 4.056 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237607109 854060593 /nfs/dbraw/zinc/06/05/93/854060593.db2.gz PPHAZXZHBMVEAY-INIZCTEOSA-N -1 0 423.488 4.479 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccccc1I)C1CCCCC1 ZINC000237616049 854062463 /nfs/dbraw/zinc/06/24/63/854062463.db2.gz GRBYBKLXQAWYIQ-QGZVFWFLSA-N -1 0 415.271 4.291 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1ccccc1 ZINC000237613625 854062516 /nfs/dbraw/zinc/06/25/16/854062516.db2.gz CYOKTBAPSDMVMT-AOMKIAJQSA-N -1 0 410.514 4.182 20 0 HIADRM C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000237614933 854062729 /nfs/dbraw/zinc/06/27/29/854062729.db2.gz OMGHDGLUZMHAMM-QMMMGPOBSA-N -1 0 424.252 4.352 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1)C1CCCCC1 ZINC000237613848 854062820 /nfs/dbraw/zinc/06/28/20/854062820.db2.gz OIVAQJLVVPGFTI-KSFYIVLOSA-N -1 0 424.488 4.044 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2ccc(Br)cc2[nH]1)c1ccccc1 ZINC000237628797 854064939 /nfs/dbraw/zinc/06/49/39/854064939.db2.gz OPECJOBLHPFONY-GTNSWQLSSA-N -1 0 401.260 4.122 20 0 HIADRM Cc1cc(C)cc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237632676 854066129 /nfs/dbraw/zinc/06/61/29/854066129.db2.gz JICYCPHVNQOHQS-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237640005 854066977 /nfs/dbraw/zinc/06/69/77/854066977.db2.gz SOJOXPXYQSAGPX-VKJYCEFSSA-N -1 0 408.223 4.092 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCCc1ccc(Br)s1 ZINC000237645665 854067829 /nfs/dbraw/zinc/06/78/29/854067829.db2.gz ZIMMWZGUTMQJRF-HNNXBMFYSA-N -1 0 410.333 4.474 20 0 HIADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NC3CCC(C(=O)[O-])CC3)cc12 ZINC000237647643 854067839 /nfs/dbraw/zinc/06/78/39/854067839.db2.gz DXHCERBYDHKPMQ-UHFFFAOYSA-N -1 0 417.918 4.422 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1 ZINC000237659137 854069789 /nfs/dbraw/zinc/06/97/89/854069789.db2.gz RHYHHJRXMQBKQN-LRTDBIEQSA-N -1 0 414.408 4.131 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000237656626 854069891 /nfs/dbraw/zinc/06/98/91/854069891.db2.gz BYYJLTZLNRUJPX-ZACQAIPSSA-N -1 0 407.388 4.329 20 0 HIADRM C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237661994 854070761 /nfs/dbraw/zinc/07/07/61/854070761.db2.gz QGFFDVFBFRXKKD-QFYYESIMSA-N -1 0 400.233 4.232 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000237664209 854070819 /nfs/dbraw/zinc/07/08/19/854070819.db2.gz DNYCCRBLDATTAZ-INIZCTEOSA-N -1 0 416.543 4.023 20 0 HIADRM Cc1cc(C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)[O-])nn1C(C)(C)C ZINC000237676054 854073129 /nfs/dbraw/zinc/07/31/29/854073129.db2.gz HCNCGLBUFDOVHV-UHFFFAOYSA-N -1 0 412.317 4.023 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000237679312 854074281 /nfs/dbraw/zinc/07/42/81/854074281.db2.gz MKAHLGXDHGVXDV-PIGZYNQJSA-N -1 0 406.360 4.258 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000237685525 854075214 /nfs/dbraw/zinc/07/52/14/854075214.db2.gz JHCXKFDIGDGJSB-IBGZPJMESA-N -1 0 406.507 4.008 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000237682542 854075228 /nfs/dbraw/zinc/07/52/28/854075228.db2.gz VDJZMCZYVFAIMU-FZKQIMNGSA-N -1 0 417.387 4.083 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237687193 854076304 /nfs/dbraw/zinc/07/63/04/854076304.db2.gz GLKBPZPFMTUXAC-UHFFFAOYSA-N -1 0 404.253 4.497 20 0 HIADRM Cc1ccccc1-c1nc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cs1 ZINC000237703428 854078688 /nfs/dbraw/zinc/07/86/88/854078688.db2.gz DFVAWLLNNDCXPX-UHFFFAOYSA-N -1 0 410.495 4.292 20 0 HIADRM Cc1ccccc1-c1nc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cs1 ZINC000237705068 854078876 /nfs/dbraw/zinc/07/88/76/854078876.db2.gz FXXGTMWHZUSEJG-UHFFFAOYSA-N -1 0 402.859 4.488 20 0 HIADRM Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237710030 854080739 /nfs/dbraw/zinc/08/07/39/854080739.db2.gz AQYJPTOSOZVBLC-GOSISDBHSA-N -1 0 415.287 4.114 20 0 HIADRM Cc1ccccc1CC(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237716287 854081687 /nfs/dbraw/zinc/08/16/87/854081687.db2.gz BJLHBQOERLJSEY-UHFFFAOYSA-N -1 0 403.360 4.079 20 0 HIADRM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000237713577 854082032 /nfs/dbraw/zinc/08/20/32/854082032.db2.gz CKANMHJUZYKCLB-UHFFFAOYSA-N -1 0 402.859 4.488 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237727525 854084867 /nfs/dbraw/zinc/08/48/67/854084867.db2.gz SRGYSVKDCBREKO-UHFFFAOYSA-N -1 0 421.472 4.238 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1ccccc1 ZINC000237744671 854087709 /nfs/dbraw/zinc/08/77/09/854087709.db2.gz CYOKTBAPSDMVMT-ZHRRBRCNSA-N -1 0 410.514 4.182 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1c[nH]c2cccc(Br)c21)c1ccccc1 ZINC000237752455 854088749 /nfs/dbraw/zinc/08/87/49/854088749.db2.gz AWHJDTZKAKWADH-DIFFPNOSSA-N -1 0 401.260 4.122 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3C[C@H](C)Cc4ccccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237757903 854090097 /nfs/dbraw/zinc/09/00/97/854090097.db2.gz RMOIFQYTSOBLFA-MRXNPFEDSA-N -1 0 417.509 4.345 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000237762302 854091036 /nfs/dbraw/zinc/09/10/36/854091036.db2.gz VDJZMCZYVFAIMU-ACJLOTCBSA-N -1 0 417.387 4.083 20 0 HIADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237762694 854091058 /nfs/dbraw/zinc/09/10/58/854091058.db2.gz ULNMFTNFLWLZDE-INIZCTEOSA-N -1 0 408.317 4.182 20 0 HIADRM Cc1nc(COc2cccc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)c2)cs1 ZINC000237763919 854091707 /nfs/dbraw/zinc/09/17/07/854091707.db2.gz NCKDFUBUCBRXRF-FQEVSTJZSA-N -1 0 410.495 4.285 20 0 HIADRM Cc1nc(CSc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)cs1 ZINC000237770078 854092716 /nfs/dbraw/zinc/09/27/16/854092716.db2.gz PSGXGWWOQMXPIP-IBGZPJMESA-N -1 0 412.536 4.170 20 0 HIADRM Cc1nc(CSc2ccccc2C(=O)NCCc2ccc(C(=O)[O-])cc2)cs1 ZINC000237766416 854092842 /nfs/dbraw/zinc/09/28/42/854092842.db2.gz YWBWPKZELOPCGR-UHFFFAOYSA-N -1 0 412.536 4.415 20 0 HIADRM Cc1ccc(-c2ocnc2C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC000237769306 854092987 /nfs/dbraw/zinc/09/29/87/854092987.db2.gz PXYDZBSABSGSPH-UHFFFAOYSA-N -1 0 401.422 4.028 20 0 HIADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000237774998 854094767 /nfs/dbraw/zinc/09/47/67/854094767.db2.gz ZKVFQQSUWXJGQK-QGZVFWFLSA-N -1 0 414.433 4.395 20 0 HIADRM Cc1cc(SCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)cc1Br ZINC000237796086 854098764 /nfs/dbraw/zinc/09/87/64/854098764.db2.gz SQAAGZBOCFVTHF-AWEZNQCLSA-N -1 0 414.365 4.261 20 0 HIADRM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237837943 854106247 /nfs/dbraw/zinc/10/62/47/854106247.db2.gz GEIGQWCOXCELCT-KRWDZBQOSA-N -1 0 417.937 4.239 20 0 HIADRM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1 ZINC000237869681 854111409 /nfs/dbraw/zinc/11/14/09/854111409.db2.gz SHAYZPADLPVWLP-QGZVFWFLSA-N -1 0 408.479 4.038 20 0 HIADRM Cc1ccc(Cn2cc(C(=O)N3CCC(C(=O)[O-])CC3)c(-c3ccc(C)cc3)n2)cc1 ZINC000237895985 854116961 /nfs/dbraw/zinc/11/69/61/854116961.db2.gz 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ZINC000432009604 858923619 /nfs/dbraw/zinc/92/36/19/858923619.db2.gz XHYAAZXSNBUENP-ZDUSSCGKSA-N -1 0 413.861 4.225 20 0 HIADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1ccc2nccnc2c1 ZINC000432090519 858982448 /nfs/dbraw/zinc/98/24/48/858982448.db2.gz CTHZRHDZUGPKFP-UHFFFAOYSA-N -1 0 405.435 4.466 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432094051 858985059 /nfs/dbraw/zinc/98/50/59/858985059.db2.gz FRHUIQHGQBRDGU-YCRPNKLZSA-N -1 0 418.490 4.211 20 0 HIADRM CCCOc1ccc(Oc2ncccc2CNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000432095044 858985268 /nfs/dbraw/zinc/98/52/68/858985268.db2.gz AKXZGJRURNUFLZ-UHFFFAOYSA-N -1 0 420.465 4.220 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CCC(=O)[O-])Cc3ccccc3)ccc21 ZINC000432104094 858991397 /nfs/dbraw/zinc/99/13/97/858991397.db2.gz XMLBFWAZCMUVPH-NRFANRHFSA-N -1 0 422.525 4.110 20 0 HIADRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000432103163 858991524 /nfs/dbraw/zinc/99/15/24/858991524.db2.gz 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ZBHRTQPDNHPHLT-QGZVFWFLSA-N -1 0 413.861 4.045 20 0 HIADRM CC[C@](NC(=O)c1[nH]c2ccccc2c1Br)(C(=O)[O-])c1ccccc1 ZINC000485375699 900672565 /nfs/dbraw/zinc/67/25/65/900672565.db2.gz SFKRHMUQBMYWEN-LJQANCHMSA-N -1 0 401.260 4.050 20 0 HIADRM Cc1cc(C)cc(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c1 ZINC000485387207 900683355 /nfs/dbraw/zinc/68/33/55/900683355.db2.gz UIUOCJQMCXMGFY-UHFFFAOYSA-N -1 0 402.501 4.205 20 0 HIADRM CN(C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000485387521 900683656 /nfs/dbraw/zinc/68/36/56/900683656.db2.gz URHVDSKOFAEDKR-UHFFFAOYSA-N -1 0 411.889 4.057 20 0 HIADRM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1 ZINC000485394191 900690623 /nfs/dbraw/zinc/69/06/23/900690623.db2.gz FZAGFBKXESLEHC-UHFFFAOYSA-N -1 0 417.712 4.252 20 0 HIADRM CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485399708 900697716 /nfs/dbraw/zinc/69/77/16/900697716.db2.gz ASOFMWHLJUQFKT-UHFFFAOYSA-N -1 0 424.803 4.001 20 0 HIADRM COc1cc(CNc2cccc(C(=O)[O-])c2OC(C)C)cc(Br)c1O ZINC000485405095 900704178 /nfs/dbraw/zinc/70/41/78/900704178.db2.gz MOGAWWUSCLMVAG-UHFFFAOYSA-N -1 0 410.264 4.261 20 0 HIADRM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1C ZINC000485411000 900709234 /nfs/dbraw/zinc/70/92/34/900709234.db2.gz UUCNFIDUSXIRJT-UHFFFAOYSA-N -1 0 417.712 4.170 20 0 HIADRM O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1cc(Cl)ccc1Br ZINC000485418604 900717495 /nfs/dbraw/zinc/71/74/95/900717495.db2.gz PUJVLPIIMBRZKL-UHFFFAOYSA-N -1 0 412.696 4.293 20 0 HIADRM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000485448771 900743634 /nfs/dbraw/zinc/74/36/34/900743634.db2.gz APPWAGCWGDYKPW-KBPBESRZSA-N -1 0 424.925 4.398 20 0 HIADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(-c3ccc(OC(F)F)cc3)s1)CC2 ZINC000485456901 900751756 /nfs/dbraw/zinc/75/17/56/900751756.db2.gz OVPYVUHPQLYRRJ-AWEZNQCLSA-N -1 0 407.438 4.343 20 0 HIADRM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCCC1 ZINC000485467448 900761255 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422.243 4.264 20 0 HIADRM C[C@H](CNC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1ccccc1 ZINC000485642586 900893986 /nfs/dbraw/zinc/89/39/86/900893986.db2.gz IWJFSYQLOYRQNG-CYBMUJFWSA-N -1 0 417.387 4.123 20 0 HIADRM CCOc1cc(C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)ccc1OCC(=O)[O-] ZINC000485667712 900918499 /nfs/dbraw/zinc/91/84/99/900918499.db2.gz QODATSYFNSGWAI-UHFFFAOYSA-N -1 0 421.877 4.489 20 0 HIADRM CCOc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)ccc1OCC(=O)[O-] ZINC000485672348 900922830 /nfs/dbraw/zinc/92/28/30/900922830.db2.gz ZXGDQASBFXLVLF-UHFFFAOYSA-N -1 0 403.434 4.372 20 0 HIADRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000485698849 900948464 /nfs/dbraw/zinc/94/84/64/900948464.db2.gz GRZWBWXDPBFSCZ-GXTWGEPZSA-N -1 0 411.342 4.487 20 0 HIADRM Cc1occc1C(=O)Nc1cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])ccc1F ZINC000485705650 900955090 /nfs/dbraw/zinc/95/50/90/900955090.db2.gz QDLBXKMRBOCQDT-UHFFFAOYSA-N -1 0 420.400 4.123 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCc2ccccc21)c1cccc(Br)c1 ZINC000485713669 900963181 /nfs/dbraw/zinc/96/31/81/900963181.db2.gz QOSIUUNYVZKUOH-ZWKOTPCHSA-N -1 0 402.288 4.201 20 0 HIADRM CCOc1cc(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)ccc1OCC(=O)[O-] ZINC000485721410 900970695 /nfs/dbraw/zinc/97/06/95/900970695.db2.gz AJSVZQTXNGMMJM-HXUWFJFHSA-N -1 0 405.878 4.329 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000485727693 900978252 /nfs/dbraw/zinc/97/82/52/900978252.db2.gz UYRXXWIRDKCJBB-HNNXBMFYSA-N -1 0 412.873 4.287 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)[O-] ZINC000485728257 900980202 /nfs/dbraw/zinc/98/02/02/900980202.db2.gz DFZKAIANZBJAKT-MRXNPFEDSA-N -1 0 411.429 4.361 20 0 HIADRM CCOc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)ccc1OCC(=O)[O-] ZINC000485728351 900980769 /nfs/dbraw/zinc/98/07/69/900980769.db2.gz FBNWDSPWPDGMAH-LLVKDONJSA-N -1 0 412.269 4.347 20 0 HIADRM Cc1cc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])ccc1OC1CCOCC1 ZINC000485729069 900982321 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ZINC000485817713 901066463 /nfs/dbraw/zinc/06/64/63/901066463.db2.gz LAVOQVCJOMQFEI-OAHLLOKOSA-N -1 0 401.484 4.003 20 0 HIADRM Cc1oc(CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1C(=O)[O-] ZINC000485852868 901095333 /nfs/dbraw/zinc/09/53/33/901095333.db2.gz SGHIFBIEVLDREJ-UHFFFAOYSA-N -1 0 418.858 4.183 20 0 HIADRM Cc1oc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1C(=O)[O-] ZINC000485879104 901114412 /nfs/dbraw/zinc/11/44/12/901114412.db2.gz XNNGFGUFMYGEFO-UHFFFAOYSA-N -1 0 407.451 4.130 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000485884472 901118930 /nfs/dbraw/zinc/11/89/30/901118930.db2.gz VAKYISFSQLLYGR-UHFFFAOYSA-N -1 0 420.874 4.214 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)c2cc(SC)ccc2Cl)C(=O)[O-])cc1 ZINC000485891092 901124192 /nfs/dbraw/zinc/12/41/92/901124192.db2.gz AEFUQHOEHLZAGY-CQSZACIVSA-N -1 0 407.919 4.134 20 0 HIADRM C[C@@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1ccsc1 ZINC000485892626 901126086 /nfs/dbraw/zinc/12/60/86/901126086.db2.gz DQOWVWXULIPCQR-SNVBAGLBSA-N -1 0 409.389 4.393 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2ccccc2SC(C)C)C(=O)[O-])cc1 ZINC000485897412 901128765 /nfs/dbraw/zinc/12/87/65/901128765.db2.gz NALCOEJBDMPDPS-KRWDZBQOSA-N -1 0 401.528 4.259 20 0 HIADRM CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)n1 ZINC000485945542 901165774 /nfs/dbraw/zinc/16/57/74/901165774.db2.gz FZUDZKVDQDHAHG-UHFFFAOYSA-N -1 0 418.453 4.326 20 0 HIADRM Cc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000485949288 901169578 /nfs/dbraw/zinc/16/95/78/901169578.db2.gz AJJMIOZAUVCHMD-UHFFFAOYSA-N -1 0 420.387 4.400 20 0 HIADRM O=C([O-])Cn1ccc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Br)cc3)ccc21 ZINC000485947964 901169963 /nfs/dbraw/zinc/16/99/63/901169963.db2.gz WKRAHWCKPJUNPM-IAGOWNOFSA-N -1 0 413.271 4.231 20 0 HIADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)c1OC ZINC000485998307 901214823 /nfs/dbraw/zinc/21/48/23/901214823.db2.gz CCPIUOBEMJKYTK-LLVKDONJSA-N -1 0 411.376 4.238 20 0 HIADRM COc1cc(/C=C/c2nc(C(=O)[O-])c(Br)s2)cc(Cl)c1OC ZINC000486033832 901237720 /nfs/dbraw/zinc/23/77/20/901237720.db2.gz YNOKXNILALTGQU-ONEGZZNKSA-N -1 0 404.669 4.445 20 0 HIADRM CC(=O)N(CCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000486035750 901239311 /nfs/dbraw/zinc/23/93/11/901239311.db2.gz JOAJQVHKCRFSPL-JOCHJYFZSA-N -1 0 424.541 4.055 20 0 HIADRM CC(C)COc1ccc(CC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000486040358 901241708 /nfs/dbraw/zinc/24/17/08/901241708.db2.gz YGSUYSIIYJHBIK-UHFFFAOYSA-N -1 0 405.441 4.046 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC3(CC(=O)[O-])CCC3)cc12 ZINC000486046915 901247537 /nfs/dbraw/zinc/24/75/37/901247537.db2.gz JGXLVXUPFFNIAG-UHFFFAOYSA-N -1 0 403.891 4.176 20 0 HIADRM CC(C)NC(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc1 ZINC000486059296 901254426 /nfs/dbraw/zinc/25/44/26/901254426.db2.gz NNLKTMWVFHQAKN-UHFFFAOYSA-N -1 0 421.453 4.085 20 0 HIADRM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)c1OC ZINC000486064983 901258987 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ZINC000562297433 945054460 /nfs/dbraw/zinc/05/44/60/945054460.db2.gz UZNNGYHMWRMSIM-OAHLLOKOSA-N -1 0 403.935 4.254 20 0 HIADRM Cc1cc(C)cc([C@@H](NC(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)C(=O)[O-])c1 ZINC000564155918 945405693 /nfs/dbraw/zinc/40/56/93/945405693.db2.gz NDBBVUOSWKEMSO-XBBWARJSSA-N -1 0 416.543 4.298 20 0 HIADRM CC(C)(CC(=O)[O-])NC(=O)CC(C)(C)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000564159170 945406776 /nfs/dbraw/zinc/40/67/76/945406776.db2.gz ITCMBQJESFDGDN-UHFFFAOYSA-N -1 0 411.502 4.073 20 0 HIADRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccnc2cc(Br)ccc21 ZINC000564559685 945677821 /nfs/dbraw/zinc/67/78/21/945677821.db2.gz WNBAZCSTPLZREG-UHFFFAOYSA-N -1 0 401.289 4.344 20 0 HIADRM CO[C@@H](C)c1nc(=NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)s[n-]1 ZINC000564613593 945706156 /nfs/dbraw/zinc/70/61/56/945706156.db2.gz RRFLIUNBBJDFTA-VIFPVBQESA-N -1 0 401.319 4.171 20 0 HIADRM O=C([O-])[C@@H](NC(=O)Nc1cccc(OCCF)c1)c1ccc(Cl)cc1Cl ZINC000565282943 945804096 /nfs/dbraw/zinc/80/40/96/945804096.db2.gz 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CCCCCOc1ccc(S(=O)(=O)[N-]c2nnc(CCc3ccccc3)o2)cc1 ZINC000565696266 945870265 /nfs/dbraw/zinc/87/02/65/945870265.db2.gz OCQQMOSFVXRENV-UHFFFAOYSA-N -1 0 415.515 4.225 20 0 HIADRM Cc1ccoc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000565909866 945913985 /nfs/dbraw/zinc/91/39/85/945913985.db2.gz HNBNZVUSJBSALE-UHFFFAOYSA-N -1 0 422.865 4.111 20 0 HIADRM Cc1c2ccc(F)cc2sc1C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000566524894 946030661 /nfs/dbraw/zinc/03/06/61/946030661.db2.gz CSCVNCSAWBWFKH-UHFFFAOYSA-N -1 0 409.442 4.163 20 0 HIADRM Cc1ccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1C(F)(F)F ZINC000566540420 946037789 /nfs/dbraw/zinc/03/77/89/946037789.db2.gz WMLDIGVCNPLLMC-KRWDZBQOSA-N -1 0 405.376 4.313 20 0 HIADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cccc(Cl)c1F ZINC000566712467 946082625 /nfs/dbraw/zinc/08/26/25/946082625.db2.gz JTPXPHYFKDBGMD-INIZCTEOSA-N -1 0 415.896 4.332 20 0 HIADRM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000566834540 946124450 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CCc1c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000237115857 853966607 /nfs/dbraw/zinc/96/66/07/853966607.db2.gz YSSIRNCPAGLTMV-UHFFFAOYSA-N -1 0 413.474 4.144 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000237135154 853970318 /nfs/dbraw/zinc/97/03/18/853970318.db2.gz RDLSEXNVRUQKMW-CQSZACIVSA-N -1 0 403.323 4.007 20 0 HIADRM COCc1c(C(=O)N[C@H](C)c2nc(C)c(C(=O)[O-])s2)sc2cccc(F)c21 ZINC000237186837 853977612 /nfs/dbraw/zinc/97/76/12/853977612.db2.gz CCQILRWPPNDJBL-SECBINFHSA-N -1 0 408.476 4.141 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(=O)[O-] ZINC000237234299 853987374 /nfs/dbraw/zinc/98/73/74/853987374.db2.gz BIGVCMIQYWOIDD-LBPRGKRZSA-N -1 0 421.280 4.157 20 0 HIADRM COc1ccc(CCCC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237239659 853988468 /nfs/dbraw/zinc/98/84/68/853988468.db2.gz ZKQZDKVDSXBCOP-QFIPXVFZSA-N -1 0 405.494 4.231 20 0 HIADRM COc1ccc(CCCC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237239630 853988602 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418.243 4.141 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 ZINC000237345125 854010845 /nfs/dbraw/zinc/01/08/45/854010845.db2.gz QRIFRRWMEHRFGW-HXUWFJFHSA-N -1 0 417.575 4.143 20 0 HIADRM COc1cccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Br)cc3)oc21 ZINC000237353661 854011217 /nfs/dbraw/zinc/01/12/17/854011217.db2.gz UWDBKONUPVCSEG-AWEZNQCLSA-N -1 0 418.243 4.150 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000237358251 854013875 /nfs/dbraw/zinc/01/38/75/854013875.db2.gz OJVOWBCFODSYAM-INIZCTEOSA-N -1 0 408.317 4.046 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2C)cc1 ZINC000237362958 854014529 /nfs/dbraw/zinc/01/45/29/854014529.db2.gz MBIHKMKZNWTQNA-INIZCTEOSA-N -1 0 408.317 4.425 20 0 HIADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237364206 854014808 /nfs/dbraw/zinc/01/48/08/854014808.db2.gz PRSIUQJOQNRUFK-YVEFUNNKSA-N -1 0 408.267 4.099 20 0 HIADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1)c1cccc(F)c1 ZINC000237371031 854016860 /nfs/dbraw/zinc/01/68/60/854016860.db2.gz RGPJCUIXANNKDU-PXAZEXFGSA-N -1 0 408.267 4.414 20 0 HIADRM COc1cc(CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000237386175 854019392 /nfs/dbraw/zinc/01/93/92/854019392.db2.gz ZKLHTLTVQCGTBR-HZPDHXFCSA-N -1 0 422.506 4.369 20 0 HIADRM CSCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237386798 854019736 /nfs/dbraw/zinc/01/97/36/854019736.db2.gz QYWCJKVIGPNRAG-INIZCTEOSA-N -1 0 408.317 4.258 20 0 HIADRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H](C)CCC(=O)[O-])cc1C ZINC000237428380 854031179 /nfs/dbraw/zinc/03/11/79/854031179.db2.gz XWJTYBZZPNERQL-GOSISDBHSA-N -1 0 405.498 4.198 20 0 HIADRM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237457548 854037066 /nfs/dbraw/zinc/03/70/66/854037066.db2.gz SIWVYLXVNKCVTL-CHWSQXEVSA-N -1 0 400.500 4.125 20 0 HIADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237470437 854040122 /nfs/dbraw/zinc/04/01/22/854040122.db2.gz IIADCOSYJKVUNB-CYBMUJFWSA-N -1 0 412.873 4.180 20 0 HIADRM Cc1c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cnn1-c1ccccc1Cl ZINC000237494561 854045606 /nfs/dbraw/zinc/04/56/06/854045606.db2.gz YJEAIIMSRGPRBT-HNNXBMFYSA-N -1 0 411.889 4.197 20 0 HIADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237503567 854046185 /nfs/dbraw/zinc/04/61/85/854046185.db2.gz DPKGMSNDBXOOGN-ACJLOTCBSA-N -1 0 422.294 4.489 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237505416 854047556 /nfs/dbraw/zinc/04/75/56/854047556.db2.gz NFRVCLXRKYTVRE-NSHDSACASA-N -1 0 419.503 4.136 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000237509849 854047710 /nfs/dbraw/zinc/04/77/10/854047710.db2.gz JPJBEHSOOYQMLP-INIZCTEOSA-N -1 0 403.482 4.320 20 0 HIADRM C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)[C@@H]1C ZINC000237518181 854048456 /nfs/dbraw/zinc/04/84/56/854048456.db2.gz KREDCKYMQKAVIQ-HSMVNMDESA-N -1 0 409.408 4.144 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)[C@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000237517145 854048513 /nfs/dbraw/zinc/04/85/13/854048513.db2.gz MZXHRLPQAZXGFZ-CQSZACIVSA-N -1 0 411.889 4.236 20 0 HIADRM C[C@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237523775 854049393 /nfs/dbraw/zinc/04/93/93/854049393.db2.gz OJWBPYCGSNXQMC-SUMWQHHRSA-N -1 0 422.344 4.403 20 0 HIADRM C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)c1cccc(F)c1 ZINC000237534358 854051263 /nfs/dbraw/zinc/05/12/63/854051263.db2.gz NNDXGNNGCMAAHM-YVEFUNNKSA-N -1 0 408.267 4.414 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237534452 854051640 /nfs/dbraw/zinc/05/16/40/854051640.db2.gz HPARONDXEZJQKE-JSGCOSHPSA-N -1 0 400.338 4.176 20 0 HIADRM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237549238 854052979 /nfs/dbraw/zinc/05/29/79/854052979.db2.gz DLQLEYIVUJCNFI-MRVPVSSYSA-N -1 0 415.660 4.102 20 0 HIADRM Cc1cc(Br)ccc1SCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237572345 854056399 /nfs/dbraw/zinc/05/63/99/854056399.db2.gz ZGDVOTBZMBHUMZ-AWEZNQCLSA-N -1 0 400.338 4.096 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000237578250 854057002 /nfs/dbraw/zinc/05/70/02/854057002.db2.gz WLSOZAWLMCWTDL-RDTXWAMCSA-N -1 0 407.445 4.036 20 0 HIADRM Cc1cc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)cc(C)c1OCC(=O)[O-] ZINC000237585079 854059822 /nfs/dbraw/zinc/05/98/22/854059822.db2.gz CBWLPFJIINTIRP-HNNXBMFYSA-N -1 0 410.495 4.381 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)cc1NC(=O)c1ccco1 ZINC000237603315 854060768 /nfs/dbraw/zinc/06/07/68/854060768.db2.gz KUWFNFPYSVDRIU-IBGZPJMESA-N -1 0 406.438 4.095 20 0 HIADRM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237607635 854061653 /nfs/dbraw/zinc/06/16/53/854061653.db2.gz XARGGPIMDFRIRJ-NSHDSACASA-N -1 0 423.416 4.484 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCc2ccc(Br)c(C)c2)sc1C(=O)[O-] ZINC000237614542 854062643 /nfs/dbraw/zinc/06/26/43/854062643.db2.gz XBAVAVMRAIOKFG-NSHDSACASA-N -1 0 411.321 4.031 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237627153 854065111 /nfs/dbraw/zinc/06/51/11/854065111.db2.gz XKRGDXHTGGPPDG-BBRMVZONSA-N -1 0 402.516 4.233 20 0 HIADRM Cc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)cc1F ZINC000237651467 854069016 /nfs/dbraw/zinc/06/90/16/854069016.db2.gz VHWNFFLXHKSUIM-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCC(C)(C)c3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237662446 854071208 /nfs/dbraw/zinc/07/12/08/854071208.db2.gz WQUHRFNWVGEFHH-UHFFFAOYSA-N -1 0 419.525 4.214 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000237668321 854071953 /nfs/dbraw/zinc/07/19/53/854071953.db2.gz KXLWNUVWMHKPMI-KRWDZBQOSA-N -1 0 417.387 4.145 20 0 HIADRM C[C@@H]1CN(c2ccc(NC(=O)CC3(C(=O)[O-])CCCCCC3)cc2F)C[C@H](C)O1 ZINC000237668474 854072053 /nfs/dbraw/zinc/07/20/53/854072053.db2.gz NMLTUPSDUMBBLN-IYBDPMFKSA-N -1 0 406.498 4.193 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237671319 854073270 /nfs/dbraw/zinc/07/32/70/854073270.db2.gz ULEFKEWWAORLCB-SFHVURJKSA-N -1 0 412.486 4.436 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237681932 854074893 /nfs/dbraw/zinc/07/48/93/854074893.db2.gz NZBNXHLUADXFLF-SPLOXXLWSA-N -1 0 408.454 4.062 20 0 HIADRM Cc1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1C(=O)N1CCCC1 ZINC000237689941 854076033 /nfs/dbraw/zinc/07/60/33/854076033.db2.gz DMQLKSCCMGSRMB-QHCPKHFHSA-N -1 0 400.519 4.231 20 0 HIADRM Cc1nc(-c2c[nH]c(C(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])c2)cs1 ZINC000237689404 854076423 /nfs/dbraw/zinc/07/64/23/854076423.db2.gz SUMQGOWAUZJGRE-LJQANCHMSA-N -1 0 419.506 4.273 20 0 HIADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)cc2F)n1 ZINC000237691544 854076928 /nfs/dbraw/zinc/07/69/28/854076928.db2.gz WTJSVTUKWPQUFF-UHFFFAOYSA-N -1 0 411.433 4.124 20 0 HIADRM Cc1ccccc1-c1nc(C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)cs1 ZINC000237724403 854083676 /nfs/dbraw/zinc/08/36/76/854083676.db2.gz FHROSCSSPAAYMR-UHFFFAOYSA-N -1 0 404.451 4.255 20 0 HIADRM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000237729502 854085002 /nfs/dbraw/zinc/08/50/02/854085002.db2.gz KUAWQXXIWZLNEC-UHFFFAOYSA-N -1 0 410.480 4.316 20 0 HIADRM Cc1c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cnn1-c1ccccc1Cl ZINC000237732991 854085521 /nfs/dbraw/zinc/08/55/21/854085521.db2.gz OXEXFCNXSXPIDR-UHFFFAOYSA-N -1 0 411.889 4.341 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCCCCCCC(=O)[O-] ZINC000237736206 854085599 /nfs/dbraw/zinc/08/55/99/854085599.db2.gz PCDIBEWDVUEHFC-UHFFFAOYSA-N -1 0 406.479 4.213 20 0 HIADRM Cn1c2ccccc2c(Cl)c1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237739233 854087078 /nfs/dbraw/zinc/08/70/78/854087078.db2.gz YDNPEUFBCIJYAV-UHFFFAOYSA-N -1 0 407.857 4.210 20 0 HIADRM Cc1ccccc1-n1nc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c2c1CCC2 ZINC000237745105 854087743 /nfs/dbraw/zinc/08/77/43/854087743.db2.gz HOUVOVFDHWIPBI-UHFFFAOYSA-N -1 0 417.509 4.177 20 0 HIADRM Cc1cc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(C)n1C1CCCCC1 ZINC000237741154 854088062 /nfs/dbraw/zinc/08/80/62/854088062.db2.gz KMCUJIDNGRMXLX-FQEVSTJZSA-N -1 0 402.466 4.011 20 0 HIADRM Cc1ccccc1-n1nc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c2c1CCC2 ZINC000237749602 854088534 /nfs/dbraw/zinc/08/85/34/854088534.db2.gz XFYLOZMBNIFSGR-UHFFFAOYSA-N -1 0 419.481 4.165 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCCc1ccc(Br)s1 ZINC000237752671 854089252 /nfs/dbraw/zinc/08/92/52/854089252.db2.gz HDKSYMHPDJSJGC-UHFFFAOYSA-N -1 0 412.305 4.244 20 0 HIADRM Cc1ccc(SCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237762604 854090924 /nfs/dbraw/zinc/09/09/24/854090924.db2.gz CLUGLXJNIGJJPJ-INIZCTEOSA-N -1 0 408.317 4.182 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237765280 854091568 /nfs/dbraw/zinc/09/15/68/854091568.db2.gz HLHAHSROFLZANV-YJYMSZOUSA-N -1 0 412.486 4.373 20 0 HIADRM Cc1c(C(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])sc2cccc(F)c12 ZINC000237771084 854093712 /nfs/dbraw/zinc/09/37/12/854093712.db2.gz WRFLJOMUVQYJTI-INIZCTEOSA-N -1 0 414.433 4.395 20 0 HIADRM Cc1ccc(OCc2ccc(C(=O)NC[C@H](Cc3ccccc3)C(=O)[O-])o2)c(C)c1 ZINC000237792471 854098318 /nfs/dbraw/zinc/09/83/18/854098318.db2.gz VIDWYKLVYJXBHM-IBGZPJMESA-N -1 0 407.466 4.149 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)CC1CCCC1)C(=O)[O-] ZINC000237802176 854100062 /nfs/dbraw/zinc/10/00/62/854100062.db2.gz SOASOVFGHJKKBH-LJQANCHMSA-N -1 0 423.435 4.330 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)C[C@H]1C=CCC1)C(=O)[O-] ZINC000237805545 854100803 /nfs/dbraw/zinc/10/08/03/854100803.db2.gz ZNOLEORJARTLDZ-LIRRHRJNSA-N -1 0 421.419 4.106 20 0 HIADRM Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1C(=O)[O-] ZINC000237812868 854102069 /nfs/dbraw/zinc/10/20/69/854102069.db2.gz CWKMNRVELPJVEA-KRWDZBQOSA-N -1 0 421.280 4.243 20 0 HIADRM Cc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)ccc1C(=O)[O-] ZINC000237820411 854103514 /nfs/dbraw/zinc/10/35/14/854103514.db2.gz CWKMNRVELPJVEA-QGZVFWFLSA-N -1 0 421.280 4.243 20 0 HIADRM Cc1cc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)c3c(C)noc3n2)c(C)o1 ZINC000237829639 854105203 /nfs/dbraw/zinc/10/52/03/854105203.db2.gz KIJIGRBJDCPTBM-UHFFFAOYSA-N -1 0 409.373 4.498 20 0 HIADRM Cc1ccc(C(=O)CCC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237837280 854106514 /nfs/dbraw/zinc/10/65/14/854106514.db2.gz VPZNKTOQZDAIEO-KRWDZBQOSA-N -1 0 418.287 4.053 20 0 HIADRM Cc1ccc(C(=O)CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237837110 854106519 /nfs/dbraw/zinc/10/65/19/854106519.db2.gz VZLSJMISJVSKPI-KRWDZBQOSA-N -1 0 418.287 4.053 20 0 HIADRM Cc1ccc(F)c(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237860698 854109292 /nfs/dbraw/zinc/10/92/92/854109292.db2.gz NTEPVHHIPSBBEO-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1ccc2c(CC(=O)N[C@@H](CC(=O)[O-])c3ccc(Br)cc3)c[nH]c2c1 ZINC000237874591 854112656 /nfs/dbraw/zinc/11/26/56/854112656.db2.gz RFRZPYWKBYHRJM-KRWDZBQOSA-N -1 0 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416.315 4.302 20 0 HIADRM CCOc1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)ccc1OCC(=O)[O-] ZINC000485739807 900993773 /nfs/dbraw/zinc/99/37/73/900993773.db2.gz CKNKBBRECPMVPG-HXUWFJFHSA-N -1 0 422.481 4.397 20 0 HIADRM CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cs1 ZINC000485740927 900995132 /nfs/dbraw/zinc/99/51/32/900995132.db2.gz BTQBWRYVKMXQSJ-STQMWFEESA-N -1 0 408.545 4.078 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1csc(Cc2ccccc2F)n1)C(=O)[O-] ZINC000485747674 901002523 /nfs/dbraw/zinc/00/25/23/901002523.db2.gz XPGUJVQZNPRKSN-OAHLLOKOSA-N -1 0 412.486 4.236 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000485751059 901006808 /nfs/dbraw/zinc/00/68/08/901006808.db2.gz JTPQIYSHJAKBBG-INIZCTEOSA-N -1 0 422.506 4.364 20 0 HIADRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000485773363 901030571 /nfs/dbraw/zinc/03/05/71/901030571.db2.gz HWZMLAAZQBSHGN-CYBMUJFWSA-N -1 0 424.950 4.361 20 0 HIADRM 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/nfs/dbraw/zinc/90/17/49/853901749.db2.gz ZVQBCNPRYGZQSQ-HNNXBMFYSA-N -1 0 407.470 4.157 20 0 HIADRM CCC(CC)CN(CC)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000236634344 853906257 /nfs/dbraw/zinc/90/62/57/853906257.db2.gz YWNSIFAORSKCMW-UHFFFAOYSA-N -1 0 411.424 4.488 20 0 HIADRM CC(C)Oc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236665834 853909399 /nfs/dbraw/zinc/90/93/99/853909399.db2.gz WEZOCGGUVONBFK-QGZVFWFLSA-N -1 0 420.303 4.111 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)CCC(C)C)C(=O)[O-] ZINC000236687634 853911467 /nfs/dbraw/zinc/91/14/67/853911467.db2.gz KLFNZCBPKXLSGU-GOSISDBHSA-N -1 0 411.424 4.186 20 0 HIADRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(-n3cccn3)cc2)cc1 ZINC000236694738 853913160 /nfs/dbraw/zinc/91/31/60/853913160.db2.gz OUAYSMLOPPFUQT-OAQYLSRUSA-N -1 0 405.498 4.045 20 0 HIADRM CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 ZINC000236699553 853913242 /nfs/dbraw/zinc/91/32/42/853913242.db2.gz CKFKSAYZWZZXSZ-VXKWHMMOSA-N -1 0 424.541 4.192 20 0 HIADRM CC1=NN(c2ccc(C(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc2)CC1 ZINC000236709201 853914249 /nfs/dbraw/zinc/91/42/49/853914249.db2.gz WRHAKPZLQOINLQ-JOCHJYFZSA-N -1 0 415.493 4.099 20 0 HIADRM CC1=NN(c2ccc(C(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc2)CC1 ZINC000236709228 853914319 /nfs/dbraw/zinc/91/43/19/853914319.db2.gz WRHAKPZLQOINLQ-QFIPXVFZSA-N -1 0 415.493 4.099 20 0 HIADRM CCCCCC[C@@](C)(NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1)C(=O)[O-] ZINC000236705607 853914327 /nfs/dbraw/zinc/91/43/27/853914327.db2.gz DFJPFCKABNCSEQ-JOCHJYFZSA-N -1 0 400.475 4.384 20 0 HIADRM CC(C)(Sc1ccc(Br)cc1)C(=O)NCCCCCCC(=O)[O-] ZINC000236715303 853915341 /nfs/dbraw/zinc/91/53/41/853915341.db2.gz NETNZYMPZXTWHH-UHFFFAOYSA-N -1 0 402.354 4.471 20 0 HIADRM CC(=O)N[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1 ZINC000236727152 853916456 /nfs/dbraw/zinc/91/64/56/853916456.db2.gz CKFKSAYZWZZXSZ-YADHBBJMSA-N -1 0 424.541 4.192 20 0 HIADRM CC(=O)Nc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)ccc1F ZINC000236759619 853920350 /nfs/dbraw/zinc/92/03/50/853920350.db2.gz XAHDTKVISPZBCW-SFHVURJKSA-N -1 0 400.450 4.027 20 0 HIADRM CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000236765967 853920626 /nfs/dbraw/zinc/92/06/26/853920626.db2.gz XYKJWWHWDNKORO-INIZCTEOSA-N -1 0 402.497 4.054 20 0 HIADRM Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000236768580 853920779 /nfs/dbraw/zinc/92/07/79/853920779.db2.gz AZNNUNZCRFHPIY-INIZCTEOSA-N -1 0 421.375 4.056 20 0 HIADRM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000236775379 853921405 /nfs/dbraw/zinc/92/14/05/853921405.db2.gz ZMGLEMGZPBQOQQ-UHFFFAOYSA-N -1 0 408.907 4.288 20 0 HIADRM CCC[C@](C)(NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC000236815482 853925434 /nfs/dbraw/zinc/92/54/34/853925434.db2.gz LGPYKELWILTXLE-KRWDZBQOSA-N -1 0 401.315 4.419 20 0 HIADRM CCCCC[C@@H](NC(=O)CCc1nc2cc(Br)ccc2s1)C(=O)[O-] ZINC000236814828 853925499 /nfs/dbraw/zinc/92/54/99/853925499.db2.gz LHFGLGOWQLGDIL-GFCCVEGCSA-N -1 0 413.337 4.141 20 0 HIADRM CCCCOCCN(C(=O)c1ccc(C(=O)[O-])nc1)c1cccc(Br)c1 ZINC000236829186 853926538 /nfs/dbraw/zinc/92/65/38/853926538.db2.gz WAFKIJPUVLCBSX-UHFFFAOYSA-N -1 0 421.291 4.006 20 0 HIADRM CC[C@@H](C)[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000236874449 853931409 /nfs/dbraw/zinc/93/14/09/853931409.db2.gz RTQVYSDAEFKLKG-VGSWGCGISA-N -1 0 422.525 4.392 20 0 HIADRM CCC(CC)(CC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)C(=O)[O-] ZINC000236883317 853931877 /nfs/dbraw/zinc/93/18/77/853931877.db2.gz UDVYJWNZKCPUJE-UHFFFAOYSA-N -1 0 406.486 4.213 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236887602 853932012 /nfs/dbraw/zinc/93/20/12/853932012.db2.gz UEKOJIIKIQNHKP-RTWAWAEBSA-N -1 0 407.466 4.300 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000236885474 853932231 /nfs/dbraw/zinc/93/22/31/853932231.db2.gz UEKOJIIKIQNHKP-NHCUHLMSSA-N -1 0 407.466 4.300 20 0 HIADRM CCC(CC)(CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)C(=O)[O-] ZINC000236903111 853935045 /nfs/dbraw/zinc/93/50/45/853935045.db2.gz LNFAZPAQMBXYBW-UHFFFAOYSA-N -1 0 407.470 4.333 20 0 HIADRM CC/C=C(/C)C(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000236904010 853935122 /nfs/dbraw/zinc/93/51/22/853935122.db2.gz GVESSSJZAJMYSW-GJBHZFNWSA-N -1 0 409.408 4.106 20 0 HIADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000236931851 853939359 /nfs/dbraw/zinc/93/93/59/853939359.db2.gz PSOKHWVEIPMHOP-ZDUSSCGKSA-N -1 0 400.504 4.066 20 0 HIADRM CC[C@H](CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1ccc(C)cc1 ZINC000236939952 853940214 /nfs/dbraw/zinc/94/02/14/853940214.db2.gz QMUVIWPDWYKZTP-GOSISDBHSA-N -1 0 422.525 4.454 20 0 HIADRM CCCc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)s1 ZINC000236936607 853940253 /nfs/dbraw/zinc/94/02/53/853940253.db2.gz HLIZKBGDJORTCI-CYBMUJFWSA-N -1 0 411.321 4.112 20 0 HIADRM CCn1cc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c2ccccc21 ZINC000236946903 853941546 /nfs/dbraw/zinc/94/15/46/853941546.db2.gz ICRPURYHRCNEIU-GOSISDBHSA-N -1 0 402.853 4.328 20 0 HIADRM CC[C@@H](C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000236968548 853944306 /nfs/dbraw/zinc/94/43/06/853944306.db2.gz ZDAFMLMSNOLADY-SJLPKXTDSA-N -1 0 423.431 4.267 20 0 HIADRM CCc1cccc2c(CC(=O)N(CCC(=O)[O-])Cc3cccc(F)c3F)c[nH]c21 ZINC000236999589 853949123 /nfs/dbraw/zinc/94/91/23/853949123.db2.gz JMSPXCHGUXCLEW-UHFFFAOYSA-N -1 0 400.425 4.055 20 0 HIADRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N(C)CCCC(=O)[O-] ZINC000237020236 853952276 /nfs/dbraw/zinc/95/22/76/853952276.db2.gz BCXUIJRKSHMDCL-UHFFFAOYSA-N -1 0 405.292 4.120 20 0 HIADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000237017041 853952649 /nfs/dbraw/zinc/95/26/49/853952649.db2.gz SZYPGGIDGJMKJV-BLVKFPJESA-N -1 0 410.923 4.376 20 0 HIADRM CC[C@@H](C)[C@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000237025722 853953325 /nfs/dbraw/zinc/95/33/25/853953325.db2.gz IBCVQMHXCNLMPY-BLVKFPJESA-N -1 0 412.490 4.118 20 0 HIADRM CCc1nc(C(=O)Nc2ccccc2CC(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000237029941 853953435 /nfs/dbraw/zinc/95/34/35/853953435.db2.gz DCGQWROUPDJKHG-UHFFFAOYSA-N -1 0 419.268 4.016 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)CCCC(=O)[O-])cc12 ZINC000237039997 853955415 /nfs/dbraw/zinc/95/54/15/853955415.db2.gz XOWPIGCPGZLHDW-UHFFFAOYSA-N -1 0 405.907 4.045 20 0 HIADRM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237050706 853957476 /nfs/dbraw/zinc/95/74/76/853957476.db2.gz ZSCVMJPJKCQGMX-UHFFFAOYSA-N -1 0 415.490 4.461 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000237065822 853958705 /nfs/dbraw/zinc/95/87/05/853958705.db2.gz FSEIZJFFRQYCOH-UHFFFAOYSA-N -1 0 405.223 4.040 20 0 HIADRM Cc1cc(C)cc(N(C)C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237100069 853964238 /nfs/dbraw/zinc/96/42/38/853964238.db2.gz ONTSRBWBWVRSJO-UHFFFAOYSA-N -1 0 417.387 4.483 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000237106168 853965671 /nfs/dbraw/zinc/96/56/71/853965671.db2.gz NNWLXGFTKHWKRX-QGZVFWFLSA-N -1 0 401.315 4.419 20 0 HIADRM CCc1c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cnn1-c1cccc(Cl)c1 ZINC000237114984 853966214 /nfs/dbraw/zinc/96/62/14/853966214.db2.gz CVSOXXUPXTXHRV-UHFFFAOYSA-N -1 0 413.861 4.112 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000237114471 853966344 /nfs/dbraw/zinc/96/63/44/853966344.db2.gz SZYPGGIDGJMKJV-HXPMCKFVSA-N -1 0 410.923 4.376 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1sc2cccc(F)c2c1C)C(=O)[O-] ZINC000237241636 853988669 /nfs/dbraw/zinc/98/86/69/853988669.db2.gz HIVOJEAUDNLUSE-AWEZNQCLSA-N -1 0 401.459 4.031 20 0 HIADRM COc1ccccc1[C@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237250336 853991233 /nfs/dbraw/zinc/99/12/33/853991233.db2.gz NBXPTHZQKLNNLV-CXAGYDPISA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)c1sccc1-c1ccc(C)cc1)C(=O)[O-] ZINC000237279205 853996543 /nfs/dbraw/zinc/99/65/43/853996543.db2.gz GBZFKNFSTGKNDI-GOSISDBHSA-N -1 0 409.507 4.405 20 0 HIADRM COc1ccc2oc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)c(C)c2c1 ZINC000237309616 854003698 /nfs/dbraw/zinc/00/36/98/854003698.db2.gz VMMDWTLDNVPXRO-INIZCTEOSA-N -1 0 405.809 4.488 20 0 HIADRM COc1ccc2oc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)c(C)c2c1 ZINC000237310443 854003931 /nfs/dbraw/zinc/00/39/31/854003931.db2.gz VMMDWTLDNVPXRO-MRXNPFEDSA-N -1 0 405.809 4.488 20 0 HIADRM COc1ccc2oc(C)c(C(=O)N(CCC(=O)[O-])Cc3ccc(F)c(F)c3)c2c1 ZINC000237312021 854004785 /nfs/dbraw/zinc/00/47/85/854004785.db2.gz PKKCBQQCDQTIGK-UHFFFAOYSA-N -1 0 403.381 4.145 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000237343772 854009819 /nfs/dbraw/zinc/00/98/19/854009819.db2.gz BLGNGWCVLHBAPL-GXSJLCMTSA-N -1 0 400.422 4.225 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](C)c3nc(C)c(C(=O)[O-])s3)cc2)c(C)c1Cl ZINC000237347755 854010544 /nfs/dbraw/zinc/01/05/44/854010544.db2.gz DHIMAJCZGWZTIZ-LLVKDONJSA-N -1 0 418.906 4.097 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccccc2Br)cc1 ZINC000237345941 854010617 /nfs/dbraw/zinc/01/06/17/854010617.db2.gz FVIRWVYZABUQHN-QGZVFWFLSA-N -1 0 422.344 4.436 20 0 HIADRM C[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1ccccc1 ZINC000237349057 854010650 /nfs/dbraw/zinc/01/06/50/854010650.db2.gz GTMXKDSPPVKITF-GFCCVEGCSA-N -1 0 403.360 4.080 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000237351842 854011285 /nfs/dbraw/zinc/01/12/85/854011285.db2.gz CYELZXDWNDZMBL-CQSZACIVSA-N -1 0 416.437 4.025 20 0 HIADRM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1 ZINC000237351889 854011479 /nfs/dbraw/zinc/01/14/79/854011479.db2.gz DEVVJGPGQVLWQN-CQSZACIVSA-N -1 0 403.438 4.425 20 0 HIADRM COc1cccc(/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000237354993 854012430 /nfs/dbraw/zinc/01/24/30/854012430.db2.gz WRYSCSHEELIWDT-LVMGUKCRSA-N -1 0 418.287 4.193 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000237376175 854017736 /nfs/dbraw/zinc/01/77/36/854017736.db2.gz IZTADNMXJOHRNP-CYBMUJFWSA-N -1 0 414.458 4.018 20 0 HIADRM C[C@@H](Cc1cccs1)NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237384630 854019595 /nfs/dbraw/zinc/01/95/95/854019595.db2.gz PPDXCHQBLAEYDQ-NSHDSACASA-N -1 0 423.416 4.012 20 0 HIADRM Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3S[C@H](C)C(=O)[O-])cc2F)n1 ZINC000237385358 854019694 /nfs/dbraw/zinc/01/96/94/854019694.db2.gz MNSMOOAIQBATLB-CQSZACIVSA-N -1 0 413.474 4.446 20 0 HIADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)c1cccc(F)c1 ZINC000237398324 854023807 /nfs/dbraw/zinc/02/38/07/854023807.db2.gz NNDXGNNGCMAAHM-SJKOYZFVSA-N -1 0 408.267 4.414 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2nc3ccccc3s2)cc1 ZINC000237407306 854025385 /nfs/dbraw/zinc/02/53/85/854025385.db2.gz NVYCYUULTKSGDS-MRXNPFEDSA-N -1 0 400.525 4.283 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000237413341 854027022 /nfs/dbraw/zinc/02/70/22/854027022.db2.gz YQJHHWSHRXNBSO-MRXNPFEDSA-N -1 0 401.532 4.183 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237418176 854028667 /nfs/dbraw/zinc/02/86/67/854028667.db2.gz HPYBIXXWCQAXOX-QGZVFWFLSA-N -1 0 405.498 4.340 20 0 HIADRM C[C@H](c1ccco1)N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237418727 854028970 /nfs/dbraw/zinc/02/89/70/854028970.db2.gz PIJWWLPQEUGVPM-LLVKDONJSA-N -1 0 407.348 4.016 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000237423656 854029808 /nfs/dbraw/zinc/02/98/08/854029808.db2.gz YQJHHWSHRXNBSO-INIZCTEOSA-N -1 0 401.532 4.183 20 0 HIADRM Cc1ccc(O[C@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(Br)c1 ZINC000237450393 854035919 /nfs/dbraw/zinc/03/59/19/854035919.db2.gz HUTPXUVYESOSQM-CYBMUJFWSA-N -1 0 406.276 4.181 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)sc1C(=O)[O-] ZINC000237474404 854041425 /nfs/dbraw/zinc/04/14/25/854041425.db2.gz MGZDHYOGVOQXRT-QMMMGPOBSA-N -1 0 413.377 4.021 20 0 HIADRM COc1ccc2c(c1)c(C(=O)Nc1nc(CC(=O)[O-])cs1)c(C)n2C1CCCC1 ZINC000237479755 854041914 /nfs/dbraw/zinc/04/19/14/854041914.db2.gz BIRCOKHZIOQGON-UHFFFAOYSA-N -1 0 413.499 4.409 20 0 HIADRM C[C@@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1cccc(F)c1 ZINC000237503362 854046114 /nfs/dbraw/zinc/04/61/14/854046114.db2.gz ZVHOMRMSVJQEHK-LLVKDONJSA-N -1 0 421.350 4.471 20 0 HIADRM C[C@@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000237500193 854046543 /nfs/dbraw/zinc/04/65/43/854046543.db2.gz MXEIIIVBRYHPGN-BEFAXECRSA-N -1 0 420.465 4.254 20 0 HIADRM C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237560044 854054102 /nfs/dbraw/zinc/05/41/02/854054102.db2.gz MSZNAFDTFUSNKG-MEBBXXQBSA-N -1 0 400.233 4.232 20 0 HIADRM C[C@H](Cc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237561753 854054936 /nfs/dbraw/zinc/05/49/36/854054936.db2.gz JDDHWKGKVYUMBS-SJKOYZFVSA-N -1 0 408.267 4.099 20 0 HIADRM Cc1c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000237579976 854058075 /nfs/dbraw/zinc/05/80/75/854058075.db2.gz BWIBMTKVUCBDLB-UHFFFAOYSA-N -1 0 415.902 4.404 20 0 HIADRM C[C@H](CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CC1)C(=O)[O-] ZINC000237606313 854060544 /nfs/dbraw/zinc/06/05/44/854060544.db2.gz CUCFSASHZDZMHV-SNVBAGLBSA-N -1 0 413.326 4.371 20 0 HIADRM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237605157 854060752 /nfs/dbraw/zinc/06/07/52/854060752.db2.gz OFJCZDSXAWSRQF-LLVKDONJSA-N -1 0 424.328 4.050 20 0 HIADRM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237607595 854061491 /nfs/dbraw/zinc/06/14/91/854061491.db2.gz PIJWWLPQEUGVPM-NSHDSACASA-N -1 0 407.348 4.016 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cc2cc(Br)ccc2o1 ZINC000237612344 854062507 /nfs/dbraw/zinc/06/25/07/854062507.db2.gz OFBXLJJZVFVTLD-OAHLLOKOSA-N -1 0 402.244 4.450 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000237616984 854062835 /nfs/dbraw/zinc/06/28/35/854062835.db2.gz DTPJBRPGXAXSBV-BDAKNGLRSA-N -1 0 403.287 4.101 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000237615768 854062886 /nfs/dbraw/zinc/06/28/86/854062886.db2.gz XOZBVXKKBCYSBI-OAQYLSRUSA-N -1 0 408.498 4.460 20 0 HIADRM Cc1nc(C2CCCC2)sc1C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000237617676 854063561 /nfs/dbraw/zinc/06/35/61/854063561.db2.gz QZIAYRSRCOUNSH-QGZVFWFLSA-N -1 0 415.490 4.155 20 0 HIADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1NC(=O)c1ccco1 ZINC000237629402 854065048 /nfs/dbraw/zinc/06/50/48/854065048.db2.gz SYYCJOSGCGBDKU-YWZLYKJASA-N -1 0 406.438 4.032 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccccc1 ZINC000237631976 854065799 /nfs/dbraw/zinc/06/57/99/854065799.db2.gz RBLNGCSFSFMWSD-UGSOOPFHSA-N -1 0 417.387 4.083 20 0 HIADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237640728 854066930 /nfs/dbraw/zinc/06/69/30/854066930.db2.gz DXCKCJQXBCMSDQ-NSHDSACASA-N -1 0 415.795 4.028 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc12 ZINC000237645695 854067802 /nfs/dbraw/zinc/06/78/02/854067802.db2.gz AXQCBAIMTBTLSH-GOSISDBHSA-N -1 0 409.442 4.090 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000237648735 854067804 /nfs/dbraw/zinc/06/78/04/854067804.db2.gz KKNQIRCHBLKKOX-SFHVURJKSA-N -1 0 414.408 4.193 20 0 HIADRM Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237652860 854068601 /nfs/dbraw/zinc/06/86/01/854068601.db2.gz LNTSPDWYNCGYTJ-GOSISDBHSA-N -1 0 424.522 4.257 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237655454 854068758 /nfs/dbraw/zinc/06/87/58/854068758.db2.gz OQFSZFHESFSSIX-AWEZNQCLSA-N -1 0 404.488 4.189 20 0 HIADRM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237663163 854070938 /nfs/dbraw/zinc/07/09/38/854070938.db2.gz JBJRUUACQDIOKN-QGZVFWFLSA-N -1 0 408.498 4.279 20 0 HIADRM Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000237671445 854072938 /nfs/dbraw/zinc/07/29/38/854072938.db2.gz NXDHZFCNOLLIEX-HNNXBMFYSA-N -1 0 412.467 4.156 20 0 HIADRM Cc1nn(-c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)c(C)c1Br ZINC000237673027 854073091 /nfs/dbraw/zinc/07/30/91/854073091.db2.gz FPEWYBRTSOTZJJ-UHFFFAOYSA-N -1 0 414.259 4.202 20 0 HIADRM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000237680445 854073866 /nfs/dbraw/zinc/07/38/66/854073866.db2.gz YNDATMNKOYOJEK-UHFFFAOYSA-N -1 0 412.254 4.293 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000237680837 854073948 /nfs/dbraw/zinc/07/39/48/854073948.db2.gz IWCHOPRJTQHLGV-FZKQIMNGSA-N -1 0 417.387 4.083 20 0 HIADRM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000237678166 854074204 /nfs/dbraw/zinc/07/42/04/854074204.db2.gz SIWVYLXVNKCVTL-BETUJISGSA-N -1 0 400.500 4.125 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCCCCCC(=O)[O-] ZINC000237685779 854075946 /nfs/dbraw/zinc/07/59/46/854075946.db2.gz XJWALOQDUCFUMF-UHFFFAOYSA-N -1 0 412.317 4.312 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)C(=O)[O-])c1 ZINC000237692963 854076974 /nfs/dbraw/zinc/07/69/74/854076974.db2.gz HUGJRXDKOZFSJP-KBAYOESNSA-N -1 0 405.416 4.177 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)s1 ZINC000237693258 854076979 /nfs/dbraw/zinc/07/69/79/854076979.db2.gz MHCFWELYQCVFAU-UHFFFAOYSA-N -1 0 410.495 4.380 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000237690967 854077050 /nfs/dbraw/zinc/07/70/50/854077050.db2.gz RVPIJAUSDSMBDU-IBGZPJMESA-N -1 0 408.523 4.029 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000237690758 854077087 /nfs/dbraw/zinc/07/70/87/854077087.db2.gz KNQBNTCOAMONJN-HXUWFJFHSA-N -1 0 422.550 4.338 20 0 HIADRM Cc1ccc(CCCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)s1 ZINC000237695543 854077713 /nfs/dbraw/zinc/07/77/13/854077713.db2.gz KTYQNLIZQMAKQA-INIZCTEOSA-N -1 0 410.333 4.474 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C(=O)[O-])c1 ZINC000237698692 854078149 /nfs/dbraw/zinc/07/81/49/854078149.db2.gz RCFXYTMPYUVYSH-CYBMUJFWSA-N -1 0 405.281 4.456 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000237706250 854080009 /nfs/dbraw/zinc/08/00/09/854080009.db2.gz LGMXSICNBAKRBZ-SFHVURJKSA-N -1 0 403.482 4.093 20 0 HIADRM Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237709478 854080586 /nfs/dbraw/zinc/08/05/86/854080586.db2.gz AQYJPTOSOZVBLC-SFHVURJKSA-N -1 0 415.287 4.114 20 0 HIADRM Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000237712784 854080722 /nfs/dbraw/zinc/08/07/22/854080722.db2.gz URLMHPIQEBTWHT-GOSISDBHSA-N -1 0 423.469 4.165 20 0 HIADRM Cn1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)cc2ccccc21 ZINC000237719409 854082566 /nfs/dbraw/zinc/08/25/66/854082566.db2.gz LRPKHUUYVMSCSX-HNNXBMFYSA-N -1 0 406.360 4.023 20 0 HIADRM Cc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1ccc(Br)cc1 ZINC000237726506 854084037 /nfs/dbraw/zinc/08/40/37/854084037.db2.gz ULXCXICULHBISO-UHFFFAOYSA-N -1 0 414.259 4.202 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCC[C@H]3C3CCCC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237727200 854084524 /nfs/dbraw/zinc/08/45/24/854084524.db2.gz RFYJVHSAYVWNDG-QFIPXVFZSA-N -1 0 409.530 4.301 20 0 HIADRM Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237727341 854084626 /nfs/dbraw/zinc/08/46/26/854084626.db2.gz HYCKKWUHJITAEI-UHFFFAOYSA-N -1 0 416.524 4.354 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CC[C@H](c4ccccc4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000237730850 854084710 /nfs/dbraw/zinc/08/47/10/854084710.db2.gz GRMLALGVSHKWMZ-NRFANRHFSA-N -1 0 417.509 4.136 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC(C)(C)CCC(=O)[O-])cc12 ZINC000237727937 854084992 /nfs/dbraw/zinc/08/49/92/854084992.db2.gz 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Cc1nc(CSc2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2)cs1 ZINC000237768224 854092934 /nfs/dbraw/zinc/09/29/34/854092934.db2.gz MVMOABKJOCPKBA-OAHLLOKOSA-N -1 0 404.557 4.461 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000237774123 854093811 /nfs/dbraw/zinc/09/38/11/854093811.db2.gz WVTOOKPPGJZEHE-UHFFFAOYSA-N -1 0 420.252 4.203 20 0 HIADRM Cc1ccc2[nH]cc(CCC(=O)N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)c2c1 ZINC000237782906 854097080 /nfs/dbraw/zinc/09/70/80/854097080.db2.gz YUUBVZGURKBXNM-UHFFFAOYSA-N -1 0 401.466 4.173 20 0 HIADRM Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237798867 854099978 /nfs/dbraw/zinc/09/99/78/854099978.db2.gz QVGLQYJWWGDCAK-CQSZACIVSA-N -1 0 416.271 4.177 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)c1cccs1)C(=O)[O-] ZINC000237804100 854100034 /nfs/dbraw/zinc/10/00/34/854100034.db2.gz IVYWRUBIHTXLRT-MRXNPFEDSA-N -1 0 423.416 4.125 20 0 HIADRM Cc1ccc(-n2nc(C(=O)Nc3cccc(CSCC(=O)[O-])c3)c3c2CCC3)cc1 ZINC000237806293 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/nfs/dbraw/zinc/45/22/56/947452256.db2.gz ICMHYWXRWRHLJB-UHFFFAOYSA-N -1 0 400.859 4.466 20 0 HIADRM CC[C@@H](NC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])c1ccc(F)cc1F ZINC000571145989 947528325 /nfs/dbraw/zinc/52/83/25/947528325.db2.gz LMPODGGTNRKUKV-IEBWSBKVSA-N -1 0 419.403 4.031 20 0 HIADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)cc1 ZINC000571340450 947607379 /nfs/dbraw/zinc/60/73/79/947607379.db2.gz BLKHWXHAAKWVBV-SFHVURJKSA-N -1 0 413.499 4.234 20 0 HIADRM CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000571476297 947664344 /nfs/dbraw/zinc/66/43/44/947664344.db2.gz BXYXWBKKMOSAFO-UHFFFAOYSA-N -1 0 412.511 4.456 20 0 HIADRM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1nnc(-c2ccc(Cl)cc2)[n-]1 ZINC000571506971 947685021 /nfs/dbraw/zinc/68/50/21/947685021.db2.gz BXVXDPZKPZBVPA-UHFFFAOYSA-N -1 0 402.690 4.406 20 0 HIADRM Cc1cc([C@@H](NC(=O)N[C@H]2CCc3c2cccc3Br)C(=O)[O-])ccc1F ZINC000571621919 947732779 /nfs/dbraw/zinc/73/27/79/947732779.db2.gz JGXJPSIGDUXOQO-DLBZAZTESA-N -1 0 421.266 4.009 20 0 HIADRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000571715962 947758666 /nfs/dbraw/zinc/75/86/66/947758666.db2.gz WMIBZLZHYNZOIU-UHFFFAOYSA-N -1 0 420.384 4.182 20 0 HIADRM CCSc1cccc(Br)c1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000571729241 947769634 /nfs/dbraw/zinc/76/96/34/947769634.db2.gz ZDQHUIIJFUGZBI-UHFFFAOYSA-N -1 0 422.347 4.122 20 0 HIADRM COC(=O)c1ccc(-c2csc([N-]S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000571749711 947774469 /nfs/dbraw/zinc/77/44/69/947774469.db2.gz SKCQMIWMNIMFFR-UHFFFAOYSA-N -1 0 422.915 4.192 20 0 HIADRM CCCC[C@@H](NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000572078947 947841411 /nfs/dbraw/zinc/84/14/11/947841411.db2.gz VULORJPVMCJMJD-OAHLLOKOSA-N -1 0 400.504 4.114 20 0 HIADRM COc1ccc(N(CCCC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000572194523 947860305 /nfs/dbraw/zinc/86/03/05/947860305.db2.gz AUKOPGFOUFYIEY-UHFFFAOYSA-N -1 0 418.298 4.062 20 0 HIADRM Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C2CC2)ccc1Br ZINC000572437789 947904519 /nfs/dbraw/zinc/90/45/19/947904519.db2.gz SAGOFXOULWAVNK-UHFFFAOYSA-N -1 0 412.353 4.288 20 0 HIADRM C[C@@]([N-]S(=O)(=O)c1cccc(Cl)c1Br)(C1CC1)C(F)(F)F ZINC000572439094 947904846 /nfs/dbraw/zinc/90/48/46/947904846.db2.gz KAJGQRDMOVINHI-LLVKDONJSA-N -1 0 406.651 4.112 20 0 HIADRM Cc1ccnc(Oc2ccc(NC(=O)N(CC(=O)[O-])[C@@H](C)c3ccccc3)cc2)n1 ZINC000572442452 947906797 /nfs/dbraw/zinc/90/67/97/947906797.db2.gz ARMHGWBRGLKTJS-INIZCTEOSA-N -1 0 406.442 4.257 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)nn1C1CCCCC1 ZINC000572537437 947938996 /nfs/dbraw/zinc/93/89/96/947938996.db2.gz QOVHRWNVJIIMGH-UHFFFAOYSA-N -1 0 416.316 4.399 20 0 HIADRM O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)O1 ZINC000572544240 947940906 /nfs/dbraw/zinc/94/09/06/947940906.db2.gz OMTBSPGJRKCKBH-DLBZAZTESA-N -1 0 410.253 4.034 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000572681015 947981221 /nfs/dbraw/zinc/98/12/21/947981221.db2.gz GEKRNXNJKHHFNL-SFHVURJKSA-N -1 0 404.426 4.004 20 0 HIADRM CCO[C@@H]1C[C@@](NC(=O)Nc2ccc3c(ccn3CC(C)C)c2)(C(=O)[O-])C1(C)C ZINC000572941264 948046360 /nfs/dbraw/zinc/04/63/60/948046360.db2.gz CPCUTELVPKYOLB-XMSQKQJNSA-N -1 0 401.507 4.077 20 0 HIADRM O=C([O-])[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000573062536 948074385 /nfs/dbraw/zinc/07/43/85/948074385.db2.gz CIJKDXDQKXQDQT-CYBMUJFWSA-N -1 0 406.719 4.325 20 0 HIADRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000573309473 948153625 /nfs/dbraw/zinc/15/36/25/948153625.db2.gz CCLOUPDRIYJSEY-QGZVFWFLSA-N -1 0 405.376 4.090 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)[C@H]1CSc2ccccc21)c1ccc(OC(F)(F)F)cc1 ZINC000573469748 948209542 /nfs/dbraw/zinc/20/95/42/948209542.db2.gz JXAAGPQYGSQOFA-LSDHHAIUSA-N -1 0 411.401 4.107 20 0 HIADRM CCOc1ccc(S(=O)(=O)[N-]c2ncc(-c3cncc(F)c3)cn2)c2ccccc12 ZINC000573498175 948219626 /nfs/dbraw/zinc/21/96/26/948219626.db2.gz ZNKIHBHYCNFEKX-UHFFFAOYSA-N -1 0 424.457 4.030 20 0 HIADRM O=C([O-])CN(CCc1ccccc1)C(=O)Nc1ccc(Br)cc1Cl ZINC000573519334 948227320 /nfs/dbraw/zinc/22/73/20/948227320.db2.gz WORADVFAOYNLPE-UHFFFAOYSA-N -1 0 411.683 4.264 20 0 HIADRM CO[C@@H](C)c1nc(=NC(=O)N2CCCC[C@@H]2c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000573527641 948231687 /nfs/dbraw/zinc/23/16/87/948231687.db2.gz DABTUUFXLWLCEZ-SMDDNHRTSA-N -1 0 414.453 4.445 20 0 HIADRM CO[C@H](C)c1nc(=NC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000573527640 948231880 /nfs/dbraw/zinc/23/18/80/948231880.db2.gz DABTUUFXLWLCEZ-RISCZKNCSA-N -1 0 414.453 4.445 20 0 HIADRM CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c2ncccc12 ZINC000573532129 948234957 /nfs/dbraw/zinc/23/49/57/948234957.db2.gz HGBGQBXZUMGIJC-UHFFFAOYSA-N -1 0 406.891 4.234 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c(Cl)c1 ZINC000573715754 948280333 /nfs/dbraw/zinc/28/03/33/948280333.db2.gz JXWIEELKNMFELK-UHFFFAOYSA-N -1 0 422.934 4.212 20 0 HIADRM CCOc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1C ZINC000573900618 948325625 /nfs/dbraw/zinc/32/56/25/948325625.db2.gz WXCDFUBDRFAWAY-UHFFFAOYSA-N -1 0 421.569 4.338 20 0 HIADRM Cc1ccc(CS(=O)(=O)[N-]c2nnc(-c3cc4c(s3)CCCC4)o2)c(F)c1 ZINC000574027000 948351391 /nfs/dbraw/zinc/35/13/91/948351391.db2.gz SSBDGEJLEFVFLE-UHFFFAOYSA-N -1 0 407.492 4.066 20 0 HIADRM CC(C)Cn1ncc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1C1CC1 ZINC000574073338 948358282 /nfs/dbraw/zinc/35/82/82/948358282.db2.gz MFKBBSZYCJFSQY-GFCCVEGCSA-N -1 0 409.939 4.194 20 0 HIADRM O=C(c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1)N1CCc2ccsc2C1 ZINC000574229899 948391713 /nfs/dbraw/zinc/39/17/13/948391713.db2.gz XBGHNTCXRQHVFR-UHFFFAOYSA-N -1 0 415.518 4.282 20 0 HIADRM CCc1ccc(S(=O)(=O)C=C([O-])c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000574358300 948422722 /nfs/dbraw/zinc/42/27/22/948422722.db2.gz KCYAAAAAQCUVGS-UHFFFAOYSA-N -1 0 407.491 4.158 20 0 HIADRM Cc1nc(-c2cccc(NC(=O)N(CC(=O)[O-])Cc3ccc(F)c(F)c3)c2)oc1C ZINC000574509526 948462041 /nfs/dbraw/zinc/46/20/41/948462041.db2.gz ISTHBVWSIGHZIY-UHFFFAOYSA-N -1 0 415.396 4.355 20 0 HIADRM COc1cc(C)c(S(=O)(=O)[N-]c2nnc(-c3ccc4ccccc4c3)o2)cc1C ZINC000574514019 948463437 /nfs/dbraw/zinc/46/34/37/948463437.db2.gz DDHBSKLCCQMWFA-UHFFFAOYSA-N -1 0 409.467 4.316 20 0 HIADRM O=S(=O)([N-]c1nnc(-c2ccccc2Cl)s1)c1cccnc1C(F)(F)F ZINC000574601018 948488749 /nfs/dbraw/zinc/48/87/49/948488749.db2.gz PNCNEMCCMIECAT-UHFFFAOYSA-N -1 0 420.825 4.073 20 0 HIADRM Cn1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000574707884 948508319 /nfs/dbraw/zinc/50/83/19/948508319.db2.gz SAZKPFGLUSDJLO-YVMONPNESA-N -1 0 417.421 4.258 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nn1C1CCCCC1 ZINC000574803118 948533290 /nfs/dbraw/zinc/53/32/90/948533290.db2.gz QMTDITXQBWXQES-UHFFFAOYSA-N -1 0 417.453 4.439 20 0 HIADRM CCc1nc([C@H](C)NC(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cs1 ZINC000574867721 948547735 /nfs/dbraw/zinc/54/77/35/948547735.db2.gz WARGUGCBZDJYSV-LXZKKBNFSA-N -1 0 401.532 4.029 20 0 HIADRM COC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)sc1C(C)C ZINC000574909348 948551555 /nfs/dbraw/zinc/55/15/55/948551555.db2.gz TZUZSCRWUMLGOC-UHFFFAOYSA-N -1 0 415.345 4.222 20 0 HIADRM O=S(=O)([N-]c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1c[nH]c2cccc(F)c21 ZINC000574949275 948563432 /nfs/dbraw/zinc/56/34/32/948563432.db2.gz SSPVEZWBMLPLHW-UHFFFAOYSA-N -1 0 424.379 4.312 20 0 HIADRM Cc1ccc(Cl)c(S(=O)(=O)N(C)[C@@H](C(=O)[O-])c2ccc(F)cc2F)c1Cl ZINC000575044490 948581780 /nfs/dbraw/zinc/58/17/80/948581780.db2.gz UBYDEGVDZAJXPU-CQSZACIVSA-N -1 0 424.252 4.026 20 0 HIADRM CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000575115806 948600191 /nfs/dbraw/zinc/60/01/91/948600191.db2.gz OLXACEUVRJCMJD-AWEZNQCLSA-N -1 0 422.281 4.292 20 0 HIADRM O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000575243350 948641205 /nfs/dbraw/zinc/64/12/05/948641205.db2.gz LYMURSSMKJDHDP-DYESRHJHSA-N -1 0 404.470 4.162 20 0 HIADRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)cc1Cl ZINC000575337065 948649733 /nfs/dbraw/zinc/64/97/33/948649733.db2.gz ZJBOPRRWCKLMKC-UHFFFAOYSA-N -1 0 419.931 4.202 20 0 HIADRM COc1cccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC000575731136 948687721 /nfs/dbraw/zinc/68/77/21/948687721.db2.gz NGOLOKOHEFCPNV-DIFFPNOSSA-N -1 0 412.269 4.102 20 0 HIADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC000575731138 948688577 /nfs/dbraw/zinc/68/85/77/948688577.db2.gz NGOLOKOHEFCPNV-PIGZYNQJSA-N -1 0 412.269 4.102 20 0 HIADRM CC(C)Cn1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000575782019 948705404 /nfs/dbraw/zinc/70/54/04/948705404.db2.gz YTDYGMZKQCVXNV-UHFFFAOYSA-N -1 0 424.448 4.421 20 0 HIADRM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000575948027 948795247 /nfs/dbraw/zinc/79/52/47/948795247.db2.gz DYZCNYSMBADHHK-UHFFFAOYSA-N -1 0 415.368 4.019 20 0 HIADRM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000576063337 948817633 /nfs/dbraw/zinc/81/76/33/948817633.db2.gz 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412.461 4.037 20 0 HIADRM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237378807 854018693 /nfs/dbraw/zinc/01/86/93/854018693.db2.gz PVDQJSONMOFMOT-QGZVFWFLSA-N -1 0 423.538 4.043 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000237383607 854019300 /nfs/dbraw/zinc/01/93/00/854019300.db2.gz BQJIAOTVDQUIEG-OAQYLSRUSA-N -1 0 406.482 4.242 20 0 HIADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)c1ccccc1F ZINC000237397906 854022483 /nfs/dbraw/zinc/02/24/83/854022483.db2.gz MNVAYDIMXXKYSQ-SJKOYZFVSA-N -1 0 408.267 4.414 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000237403498 854024344 /nfs/dbraw/zinc/02/43/44/854024344.db2.gz NVBUSRUXZIGFOX-OLMNPRSZSA-N -1 0 421.415 4.438 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2nc(-c3ccco3)sc2C)cc1 ZINC000237426843 854030429 /nfs/dbraw/zinc/03/04/29/854030429.db2.gz FSQDUKDICQZASO-AWEZNQCLSA-N -1 0 402.497 4.379 20 0 HIADRM C[C@@H](CN(C(=O)CCCSc1ccc(Br)cc1)C1CC1)C(=O)[O-] ZINC000237430263 854031601 /nfs/dbraw/zinc/03/16/01/854031601.db2.gz FQCZWBCECOUTTC-LBPRGKRZSA-N -1 0 400.338 4.033 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1 ZINC000237471800 854040393 /nfs/dbraw/zinc/04/03/93/854040393.db2.gz SEMLNKGUGXYEGO-JLTOFOAXSA-N -1 0 419.481 4.400 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCc1cccc(Br)c1)C(=O)[O-] ZINC000237481361 854042461 /nfs/dbraw/zinc/04/24/61/854042461.db2.gz BODJEEDMQHMMSI-HNNXBMFYSA-N -1 0 404.304 4.131 20 0 HIADRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000237494097 854043932 /nfs/dbraw/zinc/04/39/32/854043932.db2.gz QOPNXBAKKPXBAA-CHWSQXEVSA-N -1 0 409.408 4.240 20 0 HIADRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237513071 854048714 /nfs/dbraw/zinc/04/87/14/854048714.db2.gz DZVWXNKFQSHQGJ-PSZVPEGOSA-N -1 0 418.852 4.019 20 0 HIADRM 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Cc1nn(-c2ccc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc2)c(C)c1Cl ZINC000237731591 854085950 /nfs/dbraw/zinc/08/59/50/854085950.db2.gz PHKVRONWJFITAP-NJAFHUGGSA-N -1 0 401.894 4.000 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237736973 854086964 /nfs/dbraw/zinc/08/69/64/854086964.db2.gz KCSGOPSJASXWQI-UHFFFAOYSA-N -1 0 412.442 4.076 20 0 HIADRM Cc1cc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)c(C)n1[C@H](C)c1ccccc1 ZINC000237768278 854092877 /nfs/dbraw/zinc/09/28/77/854092877.db2.gz VGDVEQIUQCBPKT-GOSISDBHSA-N -1 0 420.509 4.150 20 0 HIADRM Cc1cc2[nH]c(C(=O)Nc3cccc(C(=O)N4CCCC[C@H]4C(=O)[O-])c3)cc2c(C)c1 ZINC000237773255 854093546 /nfs/dbraw/zinc/09/35/46/854093546.db2.gz DMHTXZRCHMDSON-NRFANRHFSA-N -1 0 419.481 4.116 20 0 HIADRM Cc1ccc(-c2nc(CC(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)cs2)cc1 ZINC000237776629 854094984 /nfs/dbraw/zinc/09/49/84/854094984.db2.gz QOKRTJXVMWXEFZ-UHFFFAOYSA-N -1 0 416.886 4.417 20 0 HIADRM 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413.257 4.139 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1cc(F)ccc1Br ZINC000431777461 858806696 /nfs/dbraw/zinc/80/66/96/858806696.db2.gz BGJAUGUBKFKZKT-KRWDZBQOSA-N -1 0 408.267 4.161 20 0 HIADRM CCC(CC)(CC(=O)[O-])NC(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000431777866 858806837 /nfs/dbraw/zinc/80/68/37/858806837.db2.gz DLKBVBBSWFSKAQ-UHFFFAOYSA-N -1 0 413.243 4.007 20 0 HIADRM C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000431781219 858808460 /nfs/dbraw/zinc/80/84/60/858808460.db2.gz KBXMFXVPLOPJER-IIBYNOLFSA-N -1 0 416.477 4.055 20 0 HIADRM Cc1c(C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cccc1-c1ccccn1 ZINC000431787710 858811448 /nfs/dbraw/zinc/81/14/48/858811448.db2.gz IHGQJJVGABBLNJ-JOCHJYFZSA-N -1 0 417.440 4.103 20 0 HIADRM CCC(CC)n1ncc(C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1C ZINC000431787574 858811557 /nfs/dbraw/zinc/81/15/57/858811557.db2.gz XDCJIKIMBWWIQW-QGZVFWFLSA-N -1 0 412.317 4.285 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC3CCCC3)nc2)cc1 ZINC000431794369 858815370 /nfs/dbraw/zinc/81/53/70/858815370.db2.gz KTKROFKUSGRYIM-SFHVURJKSA-N -1 0 400.500 4.071 20 0 HIADRM C[C@H](CN(C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C1CC1)C(=O)[O-] ZINC000431795131 858816045 /nfs/dbraw/zinc/81/60/45/858816045.db2.gz DIIBWYDOVINZSY-GFCCVEGCSA-N -1 0 408.376 4.218 20 0 HIADRM O=C([O-])CCCOc1ccc(NC(=O)CSc2cccc(Br)c2)cc1 ZINC000431797852 858816687 /nfs/dbraw/zinc/81/66/87/858816687.db2.gz XSQCEURJWZLTMR-UHFFFAOYSA-N -1 0 424.316 4.424 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCOc3ccc(Cl)cc32)cc1 ZINC000431801228 858818206 /nfs/dbraw/zinc/81/82/06/858818206.db2.gz NZJPLQARIPCQAX-RDJZCZTQSA-N -1 0 405.903 4.260 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]c(C)c(C(C)=O)c2C(C)C)cc1 ZINC000431801606 858818332 /nfs/dbraw/zinc/81/83/32/858818332.db2.gz PJCUMSIZDWPYDU-INIZCTEOSA-N -1 0 402.516 4.317 20 0 HIADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)c21 ZINC000431803576 858819403 /nfs/dbraw/zinc/81/94/03/858819403.db2.gz YPKYNRRIXWVVKS-UHFFFAOYSA-N -1 0 405.454 4.120 20 0 HIADRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)nn1-c1ccc(C)cc1 ZINC000431804062 858819569 /nfs/dbraw/zinc/81/95/69/858819569.db2.gz FXEPCWUWCLJTQZ-SFHVURJKSA-N -1 0 415.852 4.227 20 0 HIADRM Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc12 ZINC000431806104 858821073 /nfs/dbraw/zinc/82/10/73/858821073.db2.gz ZIZAUVDBSWPDHO-QGZVFWFLSA-N -1 0 411.527 4.172 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431882987 858854602 /nfs/dbraw/zinc/85/46/02/858854602.db2.gz OIDIMGPVUWWTCF-HXUWFJFHSA-N -1 0 406.463 4.349 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)C[C@@H](C)C1CCCCC1)CC2 ZINC000431976885 858898820 /nfs/dbraw/zinc/89/88/20/858898820.db2.gz IDIIILZKKOWAPV-DNVCBOLYSA-N -1 0 403.519 4.211 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc(C)c(C)cc1Cl)CC2 ZINC000431979402 858899698 /nfs/dbraw/zinc/89/96/98/858899698.db2.gz DJOIWSWAYINAHK-GOSISDBHSA-N -1 0 417.889 4.188 20 0 HIADRM Cc1ccc(I)c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000431979847 858900591 /nfs/dbraw/zinc/90/05/91/858900591.db2.gz FNGOCZIXTAMJBG-LBPRGKRZSA-N -1 0 423.250 4.115 20 0 HIADRM CC(C)c1nc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nn1-c1cccc(F)c1 ZINC000431980333 858900653 /nfs/dbraw/zinc/90/06/53/858900653.db2.gz IZOFPDGBKGNJKT-CQSZACIVSA-N -1 0 410.449 4.045 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)cc1)C(=O)[O-] ZINC000431982167 858902024 /nfs/dbraw/zinc/90/20/24/858902024.db2.gz PJJMMDKOBMWTEU-QGZVFWFLSA-N -1 0 416.477 4.479 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)cc1)C(=O)[O-] ZINC000431984218 858903431 /nfs/dbraw/zinc/90/34/31/858903431.db2.gz YHVUCXONINGYFM-CQSZACIVSA-N -1 0 407.470 4.373 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cc(C)c(F)cc1Cl)CC2 ZINC000431984848 858904407 /nfs/dbraw/zinc/90/44/07/858904407.db2.gz CYOZNIXLTOACQJ-KRWDZBQOSA-N -1 0 421.852 4.019 20 0 HIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000431989145 858906449 /nfs/dbraw/zinc/90/64/49/858906449.db2.gz ZBVWCFMMNVQJSQ-UHFFFAOYSA-N -1 0 416.481 4.386 20 0 HIADRM Cc1ccc(-c2nc(C)c(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(F)c3)s2)o1 ZINC000431991764 858909161 /nfs/dbraw/zinc/90/91/61/858909161.db2.gz LGQPGWAAJBUXAS-UHFFFAOYSA-N -1 0 406.410 4.025 20 0 HIADRM COc1ccc(CCC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1Br ZINC000431993432 858910309 /nfs/dbraw/zinc/91/03/09/858910309.db2.gz RTYGUMOJTBOTPG-ZDUSSCGKSA-N -1 0 420.303 4.292 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)cc1)C(=O)[O-] ZINC000431996721 858912920 /nfs/dbraw/zinc/91/29/20/858912920.db2.gz YINMCPUYMSODQN-GFCCVEGCSA-N -1 0 410.451 4.054 20 0 HIADRM Cc1ccc(-n2nc(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)c3c2CCC3)c(F)c1 ZINC000431995694 858913031 /nfs/dbraw/zinc/91/30/31/858913031.db2.gz NZDFUPRSKCHHCF-OAHLLOKOSA-N -1 0 421.472 4.324 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000431998900 858914039 /nfs/dbraw/zinc/91/40/39/858914039.db2.gz OENQJKUYBHFIMB-GJZGRUSLSA-N -1 0 413.342 4.201 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1)C(=O)[O-] ZINC000432000940 858914861 /nfs/dbraw/zinc/91/48/61/858914861.db2.gz OISKMQMDGNTUNK-AWEZNQCLSA-N -1 0 407.445 4.016 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)c1cc3c(cc(C)cc3C)[nH]1)CC2 ZINC000432001300 858916635 /nfs/dbraw/zinc/91/66/35/858916635.db2.gz PWLHFJJGBGXCJJ-HXUWFJFHSA-N -1 0 422.481 4.016 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1)C(=O)[O-] ZINC000432002048 858916986 /nfs/dbraw/zinc/91/69/86/858916986.db2.gz UCFNQVNDILLTRC-CHWSQXEVSA-N -1 0 406.276 4.118 20 0 HIADRM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)C2)c1 ZINC000432003165 858917700 /nfs/dbraw/zinc/91/77/00/858917700.db2.gz OQEDOUJITWAGQA-AZUAARDMSA-N -1 0 422.525 4.058 20 0 HIADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(Br)c1 ZINC000432006499 858921296 /nfs/dbraw/zinc/92/12/96/858921296.db2.gz JTPMBNDMFSRHIZ-KGLIPLIRSA-N -1 0 420.303 4.427 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c12 ZINC000432007726 858922797 /nfs/dbraw/zinc/92/27/97/858922797.db2.gz RKSHRJAERYJHOG-UHFFFAOYSA-N -1 0 408.502 4.498 20 0 HIADRM CC(C)(c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1)C(F)(F)F ZINC000432065555 858963013 /nfs/dbraw/zinc/96/30/13/858963013.db2.gz XMYOBXMRKROKLT-UHFFFAOYSA-N -1 0 405.369 4.165 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)cnn1-c1ccc(F)cc1 ZINC000432066911 858964513 /nfs/dbraw/zinc/96/45/13/858964513.db2.gz YVYZCHKPEMTYHD-UHFFFAOYSA-N -1 0 415.490 4.357 20 0 HIADRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1C ZINC000432076131 858971744 /nfs/dbraw/zinc/97/17/44/858971744.db2.gz CEEZOTFSDZETGK-VIFPVBQESA-N -1 0 406.733 4.379 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432094049 858985308 /nfs/dbraw/zinc/98/53/08/858985308.db2.gz FRHUIQHGQBRDGU-QVKFZJNVSA-N -1 0 418.490 4.211 20 0 HIADRM Cc1ccc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000432099563 858989158 /nfs/dbraw/zinc/98/91/58/858989158.db2.gz QZYKGJNFAMSQRS-SBUREZEXSA-N -1 0 412.461 4.150 20 0 HIADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C1 ZINC000432101594 858990785 /nfs/dbraw/zinc/99/07/85/858990785.db2.gz BWIDZOPTMFRUMM-KGLIPLIRSA-N -1 0 400.862 4.422 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)[C@@H]1CCCOC1 ZINC000432102993 858991250 /nfs/dbraw/zinc/99/12/50/858991250.db2.gz OBBQLGMMEBNPJU-BZNIZROVSA-N -1 0 414.310 4.332 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)s1)[C@H]1CCCOC1 ZINC000432102994 858991482 /nfs/dbraw/zinc/99/14/82/858991482.db2.gz OBBQLGMMEBNPJU-MEDUHNTESA-N -1 0 414.310 4.332 20 0 HIADRM C[C@]1(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CCCC[C@@H]1C(=O)[O-] ZINC000432111182 858997487 /nfs/dbraw/zinc/99/74/87/858997487.db2.gz WEKKNGXOHVBXER-XIKOKIGWSA-N -1 0 414.449 4.397 20 0 HIADRM O=C([O-])c1cccc(C(=O)N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)c1 ZINC000432119892 859000951 /nfs/dbraw/zinc/00/09/51/859000951.db2.gz KFSGXTDGYAUQRU-INIZCTEOSA-N -1 0 411.502 4.301 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccnc(OC2CCCCC2)c1)C(=O)[O-] ZINC000432122771 859001638 /nfs/dbraw/zinc/00/16/38/859001638.db2.gz PHOXRFSNCQVMSC-OAHLLOKOSA-N -1 0 414.527 4.288 20 0 HIADRM CC(C)n1c2ccc(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])cc2nc1C(F)(F)F ZINC000432122713 859001877 /nfs/dbraw/zinc/00/18/77/859001877.db2.gz OTXLIXFDAYOKRI-ORAYPTAESA-N -1 0 411.424 4.399 20 0 HIADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccc(Br)s1 ZINC000432124941 859003737 /nfs/dbraw/zinc/00/37/37/859003737.db2.gz DNIFILBECOTXOR-OCCSQVGLSA-N -1 0 410.333 4.206 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432127343 859005199 /nfs/dbraw/zinc/00/51/99/859005199.db2.gz FJYWCHHWEVXNFX-GOSISDBHSA-N -1 0 411.889 4.040 20 0 HIADRM C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1)c1ccc(Br)cc1 ZINC000432128264 859006225 /nfs/dbraw/zinc/00/62/25/859006225.db2.gz CPDANUQGIXPVPL-KDOFPFPSSA-N -1 0 404.304 4.145 20 0 HIADRM CC(C)c1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c2cnn(C(C)C)c2n1 ZINC000432129402 859006423 /nfs/dbraw/zinc/00/64/23/859006423.db2.gz LANIKWORIVLFPH-SFHVURJKSA-N -1 0 422.529 4.342 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2cccc(Cl)c2Cl)cc1)[C@@H]1CCCOC1 ZINC000432132833 859008167 /nfs/dbraw/zinc/00/81/67/859008167.db2.gz HSMQALITVHTUAT-ACJLOTCBSA-N -1 0 424.280 4.395 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000432137113 859011338 /nfs/dbraw/zinc/01/13/38/859011338.db2.gz CLOYBNIUGUBAEZ-GOSISDBHSA-N -1 0 412.486 4.084 20 0 HIADRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)cc1Cl ZINC000432184551 859036607 /nfs/dbraw/zinc/03/66/07/859036607.db2.gz DLMGLKCTJIWRJF-UHFFFAOYSA-N -1 0 423.853 4.257 20 0 HIADRM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432201308 859043955 /nfs/dbraw/zinc/04/39/55/859043955.db2.gz 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405.494 4.402 20 0 HIADRM CO[C@@H](C)c1cccc(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c1 ZINC000237316464 854006086 /nfs/dbraw/zinc/00/60/86/854006086.db2.gz MYUHUXKLZFPUJJ-KRWDZBQOSA-N -1 0 421.497 4.466 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 ZINC000237351048 854011444 /nfs/dbraw/zinc/01/14/44/854011444.db2.gz GIDJVTZPNNTCHV-MRXNPFEDSA-N -1 0 403.548 4.429 20 0 HIADRM Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237373724 854017584 /nfs/dbraw/zinc/01/75/84/854017584.db2.gz CNCYCRRHVNAOSN-QGZVFWFLSA-N -1 0 423.538 4.109 20 0 HIADRM Cc1cc(Br)ccc1CNC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237377330 854018533 /nfs/dbraw/zinc/01/85/33/854018533.db2.gz KHCOYLXTKKLPKP-GFCCVEGCSA-N -1 0 408.317 4.253 20 0 HIADRM CSc1ccc(Cl)c(C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c1 ZINC000237399319 854023341 /nfs/dbraw/zinc/02/33/41/854023341.db2.gz OAAPUKODQPMRSY-QGZVFWFLSA-N -1 0 406.866 4.108 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000237399243 854023601 /nfs/dbraw/zinc/02/36/01/854023601.db2.gz CUUPPVUGKIUECC-CQSZACIVSA-N -1 0 400.525 4.164 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC000237401391 854023643 /nfs/dbraw/zinc/02/36/43/854023643.db2.gz JJIIAIZEWGBYCC-NIKGAXFTSA-N -1 0 416.315 4.302 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000237401815 854023757 /nfs/dbraw/zinc/02/37/57/854023757.db2.gz NVBUSRUXZIGFOX-ZTFGCOKTSA-N -1 0 421.415 4.438 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1c[nH]c2cccc(Br)c21)C(=O)[O-] ZINC000237405022 854025637 /nfs/dbraw/zinc/02/56/37/854025637.db2.gz RRYRVIKIXVLQNK-CYBMUJFWSA-N -1 0 415.287 4.294 20 0 HIADRM COc1ccc(-c2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000237414528 854027707 /nfs/dbraw/zinc/02/77/07/854027707.db2.gz ZSYBFTMEKPWZBZ-CQSZACIVSA-N -1 0 403.425 4.357 20 0 HIADRM 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ZINC000237468711 854039012 /nfs/dbraw/zinc/03/90/12/854039012.db2.gz DPTOLINTGIRGAR-MRVPVSSYSA-N -1 0 416.630 4.346 20 0 HIADRM COc1ccc([C@@H](C)CC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237474246 854041217 /nfs/dbraw/zinc/04/12/17/854041217.db2.gz KDFJIJVQPVEMCR-HTAPYJJXSA-N -1 0 405.494 4.402 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1ccccc1F ZINC000237498661 854045072 /nfs/dbraw/zinc/04/50/72/854045072.db2.gz VPNOXHWSAHOFGU-LLVKDONJSA-N -1 0 421.350 4.471 20 0 HIADRM Cc1c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000237494407 854045083 /nfs/dbraw/zinc/04/50/83/854045083.db2.gz CNHPTUDROLZCSP-HNNXBMFYSA-N -1 0 411.889 4.197 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H](C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000237524272 854049653 /nfs/dbraw/zinc/04/96/53/854049653.db2.gz ZSPBKSYOLHOICE-QWHCGFSZSA-N -1 0 422.344 4.375 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2OCc2ccc(F)cc2)sc1C(=O)[O-] ZINC000237565737 854055375 /nfs/dbraw/zinc/05/53/75/854055375.db2.gz AFCFMJMOBOTQEK-CYBMUJFWSA-N -1 0 414.458 4.359 20 0 HIADRM C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1cccc(F)c1 ZINC000237571006 854056078 /nfs/dbraw/zinc/05/60/78/854056078.db2.gz QDEBFRPDBDUZQK-QRWLVFNGSA-N -1 0 412.461 4.037 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCc2ccc(Br)c(C)c2)sc1C(=O)[O-] ZINC000237577474 854057650 /nfs/dbraw/zinc/05/76/50/854057650.db2.gz XBAVAVMRAIOKFG-LLVKDONJSA-N -1 0 411.321 4.031 20 0 HIADRM Cc1ccc(Cn2cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c(-c3ccc(C)cc3)n2)cc1 ZINC000237583117 854058207 /nfs/dbraw/zinc/05/82/07/854058207.db2.gz YVUYNZKEMIHQGE-GOSISDBHSA-N -1 0 405.498 4.008 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)cc2)c(C)c1CCC(=O)[O-] ZINC000237582150 854058728 /nfs/dbraw/zinc/05/87/28/854058728.db2.gz RYOUIVPOERUBOB-MPHOGZCYSA-N -1 0 409.530 4.300 20 0 HIADRM C[C@H]1CCC[C@H](C)C1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237591914 854059749 /nfs/dbraw/zinc/05/97/49/854059749.db2.gz WWVPRJBBTOIXEZ-RYUDHWBXSA-N -1 0 409.408 4.144 20 0 HIADRM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237606934 854060826 /nfs/dbraw/zinc/06/08/26/854060826.db2.gz GBOORYDOGCEQJJ-UHFFFAOYSA-N -1 0 415.852 4.302 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)C1CCCCC1 ZINC000237616302 854062395 /nfs/dbraw/zinc/06/23/95/854062395.db2.gz FGTZFWJNYBWCPE-XMMPIXPASA-N -1 0 414.546 4.241 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000237616166 854062779 /nfs/dbraw/zinc/06/27/79/854062779.db2.gz KXLWNUVWMHKPMI-QGZVFWFLSA-N -1 0 417.387 4.145 20 0 HIADRM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237621713 854063681 /nfs/dbraw/zinc/06/36/81/854063681.db2.gz BLOLHLOPBNCULT-AAEUAGOBSA-N -1 0 418.715 4.116 20 0 HIADRM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237621617 854063868 /nfs/dbraw/zinc/06/38/68/854063868.db2.gz BLOLHLOPBNCULT-WCQYABFASA-N -1 0 418.715 4.116 20 0 HIADRM Cc1c(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cccc1C(=O)N1CCCC1 ZINC000237628508 854065086 /nfs/dbraw/zinc/06/50/86/854065086.db2.gz KCXODEQJALCOOM-QHCPKHFHSA-N -1 0 400.519 4.231 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 ZINC000237632239 854065789 /nfs/dbraw/zinc/06/57/89/854065789.db2.gz LYDJKMCRSADVCR-SGTLLEGYSA-N -1 0 418.280 4.371 20 0 HIADRM Cc1cccc(C)c1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237637747 854066094 /nfs/dbraw/zinc/06/60/94/854066094.db2.gz ADCGDPOTJRCBQR-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237653192 854068951 /nfs/dbraw/zinc/06/89/51/854068951.db2.gz GDRDEFPOUNYCGM-SFHVURJKSA-N -1 0 409.526 4.396 20 0 HIADRM Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237651982 854068960 /nfs/dbraw/zinc/06/89/60/854068960.db2.gz QZHQLLQBWFZPCC-UHFFFAOYSA-N -1 0 404.253 4.497 20 0 HIADRM Cc1cc(F)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)cc1F ZINC000237653037 854069109 /nfs/dbraw/zinc/06/91/09/854069109.db2.gz PDIRBJVXBPCDRK-OAHLLOKOSA-N -1 0 403.303 4.118 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000237658779 854069746 /nfs/dbraw/zinc/06/97/46/854069746.db2.gz BYYJLTZLNRUJPX-IKGGRYGDSA-N -1 0 407.388 4.329 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)cc1 ZINC000237665428 854071076 /nfs/dbraw/zinc/07/10/76/854071076.db2.gz KNLOGCFEROJJQL-OAQYLSRUSA-N -1 0 421.522 4.118 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)CCCc2ccc(Br)s2)C(=O)[O-])c1 ZINC000237665966 854071721 /nfs/dbraw/zinc/07/17/21/854071721.db2.gz UAGBGZADKBLZPO-OAHLLOKOSA-N -1 0 424.360 4.201 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cc2)c(C)c1Cl ZINC000237669624 854071895 /nfs/dbraw/zinc/07/18/95/854071895.db2.gz ZLGWMQYIFYFAGJ-OAHLLOKOSA-N -1 0 403.891 4.150 20 0 HIADRM C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000237666019 854072035 /nfs/dbraw/zinc/07/20/35/854072035.db2.gz 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Cc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])Cc3ccc(F)c(F)c3)on2)cc1 ZINC000237701124 854078888 /nfs/dbraw/zinc/07/88/88/854078888.db2.gz RCTZTALJHFYPDC-UHFFFAOYSA-N -1 0 400.381 4.045 20 0 HIADRM Cc1nc(COc2cccc(C(=O)NC[C@@H](Cc3cccc(C)c3)C(=O)[O-])c2)cs1 ZINC000237702325 854078938 /nfs/dbraw/zinc/07/89/38/854078938.db2.gz YRKCGFKSKRSMNK-LJQANCHMSA-N -1 0 424.522 4.012 20 0 HIADRM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237701420 854079141 /nfs/dbraw/zinc/07/91/41/854079141.db2.gz QIPDSXWOFMTSDF-IRXDYDNUSA-N -1 0 408.498 4.074 20 0 HIADRM Cc1[nH]c2ccccc2c1CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000237706956 854079783 /nfs/dbraw/zinc/07/97/83/854079783.db2.gz GWCVDFXWIFHYEH-UHFFFAOYSA-N -1 0 404.388 4.151 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(OCC(=O)[O-])c2)o1 ZINC000237710396 854080551 /nfs/dbraw/zinc/08/05/51/854080551.db2.gz UCQGMXRWZMOZLM-UHFFFAOYSA-N -1 0 417.421 4.156 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCC(c3ccccc3C)CC2)cc1 ZINC000237709688 854080680 /nfs/dbraw/zinc/08/06/80/854080680.db2.gz MGCWDNCSBORAHY-UHFFFAOYSA-N -1 0 403.482 4.207 20 0 HIADRM Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)NC(C)(C)CCC(=O)[O-] ZINC000237709542 854081036 /nfs/dbraw/zinc/08/10/36/854081036.db2.gz WACXPAWYVKDINA-UHFFFAOYSA-N -1 0 412.317 4.098 20 0 HIADRM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000237713988 854081960 /nfs/dbraw/zinc/08/19/60/854081960.db2.gz FZVXGXCPCJMDID-UHFFFAOYSA-N -1 0 404.451 4.255 20 0 HIADRM Cc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1C ZINC000237721685 854083204 /nfs/dbraw/zinc/08/32/04/854083204.db2.gz RSJPZSQJBAQLOG-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cn1c(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)cc2ccccc21 ZINC000237722364 854083867 /nfs/dbraw/zinc/08/38/67/854083867.db2.gz LRPKHUUYVMSCSX-OAHLLOKOSA-N -1 0 406.360 4.023 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCC[C@@H]3C3CCCC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237726872 854084900 /nfs/dbraw/zinc/08/49/00/854084900.db2.gz 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Cc1cc(F)cc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237782610 854096176 /nfs/dbraw/zinc/09/61/76/854096176.db2.gz IZRLYTOXAYYAHF-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1nc(-c2c[nH]c(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)c2)cs1 ZINC000237786411 854097344 /nfs/dbraw/zinc/09/73/44/854097344.db2.gz LSSNVQYEGUIYQI-AWEZNQCLSA-N -1 0 407.854 4.185 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2C)cc1 ZINC000237808865 854101107 /nfs/dbraw/zinc/10/11/07/854101107.db2.gz IMJXLLBLTRUKHM-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)c1cccs1)C(=O)[O-] ZINC000237806666 854101134 /nfs/dbraw/zinc/10/11/34/854101134.db2.gz IVYWRUBIHTXLRT-INIZCTEOSA-N -1 0 423.416 4.125 20 0 HIADRM Cc1ccc2nc(COc3ccc(C(=O)Nc4ccccc4CC(=O)[O-])cc3)cn2c1 ZINC000237828487 854104178 /nfs/dbraw/zinc/10/41/78/854104178.db2.gz MXXFODKKKRRJEV-UHFFFAOYSA-N -1 0 415.449 4.101 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000237836371 854105316 /nfs/dbraw/zinc/10/53/16/854105316.db2.gz ZGFGJADEDFKAKN-UHFFFAOYSA-N -1 0 414.259 4.202 20 0 HIADRM Cc1ccc(C(=O)CCC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000237833783 854105515 /nfs/dbraw/zinc/10/55/15/854105515.db2.gz RIRVXJUIHGZKQP-UHFFFAOYSA-N -1 0 403.425 4.048 20 0 HIADRM Cc1nc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)nn1-c1c(Cl)cccc1Cl ZINC000237835501 854105566 /nfs/dbraw/zinc/10/55/66/854105566.db2.gz YHKOGUHVKFSZHH-UHFFFAOYSA-N -1 0 419.268 4.152 20 0 HIADRM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1NC(=O)c1ccccc1F ZINC000237849749 854107416 /nfs/dbraw/zinc/10/74/16/854107416.db2.gz URPPUNUXEPZQHV-INIZCTEOSA-N -1 0 412.461 4.103 20 0 HIADRM Cc1cc(C(=O)N2CCCc3cc(Br)ccc32)cc(C)c1OCC(=O)[O-] ZINC000237845316 854107517 /nfs/dbraw/zinc/10/75/17/854107517.db2.gz ZKGSADZMNSDWRQ-UHFFFAOYSA-N -1 0 418.287 4.122 20 0 HIADRM Cc1ccc2c(CC(=O)N[C@H](CC(=O)[O-])c3cccc(Br)c3)coc2c1 ZINC000237876571 854112546 /nfs/dbraw/zinc/11/25/46/854112546.db2.gz WWQFNPADPRCXNE-QGZVFWFLSA-N -1 0 416.271 4.378 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3CC(=O)[O-])c12 ZINC000237875215 854112783 /nfs/dbraw/zinc/11/27/83/854112783.db2.gz BLWQOAIQKFAQPA-UHFFFAOYSA-N -1 0 406.486 4.252 20 0 HIADRM Cc1ccc2oc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Br)cc3)cc2c1 ZINC000237910552 854118105 /nfs/dbraw/zinc/11/81/05/854118105.db2.gz NNBDOUNVKWSTHQ-OAHLLOKOSA-N -1 0 402.244 4.450 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC(C(=O)[O-])CC3)cc12 ZINC000237919538 854119161 /nfs/dbraw/zinc/11/91/61/854119161.db2.gz UIXSXHLWJBEXIN-UHFFFAOYSA-N -1 0 417.918 4.045 20 0 HIADRM O=C([O-])c1cnn(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1C(F)(F)F ZINC000237947936 854123691 /nfs/dbraw/zinc/12/36/91/854123691.db2.gz MCOYCGNGKWBJPF-UHFFFAOYSA-N -1 0 409.751 4.495 20 0 HIADRM O=C([O-])c1cnn(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1C(F)(F)F ZINC000237953521 854124511 /nfs/dbraw/zinc/12/45/11/854124511.db2.gz HPJSOYBVUZDAOK-UHFFFAOYSA-N -1 0 411.286 4.120 20 0 HIADRM O=C([O-])C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)c1cccc(Br)c1 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853990878 /nfs/dbraw/zinc/99/08/78/853990878.db2.gz OWFXBOHUYWEBNI-CXAGYDPISA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237252934 853991980 /nfs/dbraw/zinc/99/19/80/853991980.db2.gz XVHYMMRVKNCLKU-MRXNPFEDSA-N -1 0 417.452 4.287 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000237270565 853994197 /nfs/dbraw/zinc/99/41/97/853994197.db2.gz KPMWWWGAAZPAJZ-YLJYHZDGSA-N -1 0 403.906 4.148 20 0 HIADRM COc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c(C)c1 ZINC000237324460 854006445 /nfs/dbraw/zinc/00/64/45/854006445.db2.gz MKOHFHZJDWOJRY-UHFFFAOYSA-N -1 0 419.359 4.159 20 0 HIADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237341646 854009505 /nfs/dbraw/zinc/00/95/05/854009505.db2.gz WIERPESSLTVDQT-IUODEOHRSA-N -1 0 408.907 4.082 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000237343129 854009585 /nfs/dbraw/zinc/00/95/85/854009585.db2.gz 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ZINC000237424194 854030834 /nfs/dbraw/zinc/03/08/34/854030834.db2.gz JZQGSFSWGNJHDN-ZDUSSCGKSA-N -1 0 401.459 4.412 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N([C@H](C)c3ccco3)C3CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000237436550 854033519 /nfs/dbraw/zinc/03/35/19/854033519.db2.gz MSZZOWBLRMJXEZ-QGZVFWFLSA-N -1 0 421.497 4.465 20 0 HIADRM C[C@H](C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1cccc(F)c1 ZINC000237465803 854038074 /nfs/dbraw/zinc/03/80/74/854038074.db2.gz OKULOJAVDASPDR-NSHDSACASA-N -1 0 421.350 4.471 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cccc(OCc3cccs3)c2)sc1C(=O)[O-] ZINC000237487612 854043304 /nfs/dbraw/zinc/04/33/04/854043304.db2.gz QRKQKJZJRPBOCD-LBPRGKRZSA-N -1 0 402.497 4.281 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2c(C)onc2-c2ccccc2Cl)sc1C(=O)[O-] ZINC000237488777 854043921 /nfs/dbraw/zinc/04/39/21/854043921.db2.gz KLKDWPNPWRVMAZ-SECBINFHSA-N -1 0 405.863 4.258 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccc(Br)s1 ZINC000237492110 854044156 /nfs/dbraw/zinc/04/41/56/854044156.db2.gz NGOWVRQXSFOTSX-MRVPVSSYSA-N -1 0 418.696 4.370 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237494402 854045543 /nfs/dbraw/zinc/04/55/43/854045543.db2.gz ALRQGPFRLBHCEC-PSLIRLAXSA-N -1 0 418.223 4.371 20 0 HIADRM C[C@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237525162 854049682 /nfs/dbraw/zinc/04/96/82/854049682.db2.gz FTOWSRFXQMMNPS-FZKQIMNGSA-N -1 0 422.294 4.489 20 0 HIADRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237527800 854050474 /nfs/dbraw/zinc/05/04/74/854050474.db2.gz ZYCDADDAQIYMTP-QMTHXVAHSA-N -1 0 414.296 4.161 20 0 HIADRM C[C@@H](Oc1ccccc1Br)C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000237538635 854051223 /nfs/dbraw/zinc/05/12/23/854051223.db2.gz KGDJHIPVSZSYFV-OAHLLOKOSA-N -1 0 420.303 4.110 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 ZINC000237538552 854051309 /nfs/dbraw/zinc/05/13/09/854051309.db2.gz HYFSNIMCBPYVCR-HRAATJIYSA-N -1 0 408.498 4.397 20 0 HIADRM C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)[C@@H](C)C1 ZINC000237541206 854051643 /nfs/dbraw/zinc/05/16/43/854051643.db2.gz VZGCHKTYNKVGEU-WQGACYEGSA-N -1 0 409.408 4.144 20 0 HIADRM C[C@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237546250 854052492 /nfs/dbraw/zinc/05/24/92/854052492.db2.gz UMXJQFWGEVJTGS-LRDDRELGSA-N -1 0 408.317 4.262 20 0 HIADRM C[C@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237557993 854054438 /nfs/dbraw/zinc/05/44/38/854054438.db2.gz YPIUPJWXCCFHRC-GUYCJALGSA-N -1 0 412.324 4.209 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000237600882 854060812 /nfs/dbraw/zinc/06/08/12/854060812.db2.gz QWMVQWVCMWBDFL-AWEZNQCLSA-N -1 0 404.532 4.484 20 0 HIADRM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000237606784 854060846 /nfs/dbraw/zinc/06/08/46/854060846.db2.gz NFFUIBAERUFWDE-IZZDOVSWSA-N -1 0 413.836 4.382 20 0 HIADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(Br)c1 ZINC000237607889 854061281 /nfs/dbraw/zinc/06/12/81/854061281.db2.gz KFTSSTPLPHFRSS-PPOCWRSBSA-N -1 0 404.260 4.261 20 0 HIADRM Cc1ccc(OCc2nc(CC(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000237615407 854062556 /nfs/dbraw/zinc/06/25/56/854062556.db2.gz AEVFTKAKJXQVHS-AOMKIAJQSA-N -1 0 424.522 4.151 20 0 HIADRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1NC(=O)c1ccccc1 ZINC000237621950 854063744 /nfs/dbraw/zinc/06/37/44/854063744.db2.gz VCWAQLFBEQCDJU-YYWHXJBOSA-N -1 0 406.482 4.105 20 0 HIADRM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237623768 854065005 /nfs/dbraw/zinc/06/50/05/854065005.db2.gz DPTOLINTGIRGAR-QMMMGPOBSA-N -1 0 416.630 4.346 20 0 HIADRM C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237640065 854067011 /nfs/dbraw/zinc/06/70/11/854067011.db2.gz DQHMLUIWVOGTGU-QMMMGPOBSA-N -1 0 416.630 4.346 20 0 HIADRM Cc1nc([C@H](C)NC(=O)COc2ccc3oc4c(c3c2)CCCC4)sc1C(=O)[O-] ZINC000237643584 854067108 /nfs/dbraw/zinc/06/71/08/854067108.db2.gz ZXPVQOPWDXYCFJ-LBPRGKRZSA-N -1 0 414.483 4.031 20 0 HIADRM Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237651145 854067807 /nfs/dbraw/zinc/06/78/07/854067807.db2.gz YIOVQSQMPDQIIM-INIZCTEOSA-N -1 0 402.516 4.301 20 0 HIADRM Cc1cccc(C[C@@H](CNC(=O)CCCCc2nc3ccccc3s2)C(=O)[O-])c1 ZINC000237661831 854070942 /nfs/dbraw/zinc/07/09/42/854070942.db2.gz DDBFMWWHYFWLJU-SFHVURJKSA-N -1 0 410.539 4.377 20 0 HIADRM Cc1cccc(C[C@@H](CNC(=O)CCCc2ncc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC000237662210 854071003 /nfs/dbraw/zinc/07/10/03/854071003.db2.gz RFBPVPAEFABRBD-FQEVSTJZSA-N -1 0 406.482 4.032 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237671831 854073396 /nfs/dbraw/zinc/07/33/96/854073396.db2.gz IZUNVSSFJVEDAZ-UHFFFAOYSA-N -1 0 401.825 4.291 20 0 HIADRM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237682677 854075404 /nfs/dbraw/zinc/07/54/04/854075404.db2.gz CTJZKVKNHZADIH-HNNXBMFYSA-N -1 0 421.415 4.118 20 0 HIADRM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000237682853 854075460 /nfs/dbraw/zinc/07/54/60/854075460.db2.gz VPLXLCDPIXKBLO-QWHCGFSZSA-N -1 0 409.408 4.145 20 0 HIADRM Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(CSCC(=O)[O-])c3)cc2F)n1 ZINC000237691816 854077134 /nfs/dbraw/zinc/07/71/34/854077134.db2.gz LIAUKFKEJNRSGJ-UHFFFAOYSA-N -1 0 413.474 4.198 20 0 HIADRM Cc1nc(CCC(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)oc1-c1ccccc1 ZINC000237713113 854080797 /nfs/dbraw/zinc/08/07/97/854080797.db2.gz DMFHYKSOQPDXRZ-UHFFFAOYSA-N -1 0 416.437 4.105 20 0 HIADRM C[C@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237710665 854080904 /nfs/dbraw/zinc/08/09/04/854080904.db2.gz RWVRLXIAMICCKJ-QFYYESIMSA-N -1 0 400.338 4.239 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237730765 854084668 /nfs/dbraw/zinc/08/46/68/854084668.db2.gz RACRUIUSPNWHLS-LJQANCHMSA-N -1 0 424.881 4.038 20 0 HIADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cnn1-c1ccccc1C ZINC000237740285 854086769 /nfs/dbraw/zinc/08/67/69/854086769.db2.gz IYTSKOMHUDCUKX-SFHVURJKSA-N -1 0 415.852 4.227 20 0 HIADRM Cc1cccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1C ZINC000237744177 854087679 /nfs/dbraw/zinc/08/76/79/854087679.db2.gz CZYCUMCXPOQCDI-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000237744934 854087998 /nfs/dbraw/zinc/08/79/98/854087998.db2.gz SAYHXDBRAANYBF-UHFFFAOYSA-N -1 0 423.488 4.064 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1(c2ccc(Br)cc2)CCC1 ZINC000237750574 854088642 /nfs/dbraw/zinc/08/86/42/854088642.db2.gz SNLACGBEWCEXDC-UHFFFAOYSA-N -1 0 418.287 4.281 20 0 HIADRM Cc1ccc(-c2nc(C)c(C(=O)N(CCC(=O)[O-])Cc3ccc(F)c(F)c3)s2)o1 ZINC000237757816 854089794 /nfs/dbraw/zinc/08/97/94/854089794.db2.gz DJSFAXHYVSXHRA-UHFFFAOYSA-N -1 0 420.437 4.415 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000237760160 854090623 /nfs/dbraw/zinc/09/06/23/854090623.db2.gz AGSDNQNBSRDZLH-IERDGZPVSA-N -1 0 402.450 4.131 20 0 HIADRM Cc1ccc(-n2nc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)c3c2CCC3)c(F)c1 ZINC000237800735 854100200 /nfs/dbraw/zinc/10/02/00/854100200.db2.gz LBUZMJQGXBWZAF-IBGZPJMESA-N -1 0 421.472 4.063 20 0 HIADRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCCCCC(=O)[O-])cc1 ZINC000237803464 854100326 /nfs/dbraw/zinc/10/03/26/854100326.db2.gz XRAVXDMBTGNPSD-UHFFFAOYSA-N -1 0 405.498 4.282 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)/C=C/C(C)(C)C)C(=O)[O-] ZINC000237806222 854101295 /nfs/dbraw/zinc/10/12/95/854101295.db2.gz NNXFKSWWEPPINU-BBVFFXRHSA-N -1 0 423.435 4.352 20 0 HIADRM Cc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)ccc1C(=O)[O-] ZINC000237813973 854102239 /nfs/dbraw/zinc/10/22/39/854102239.db2.gz SNLPDEBKJQYRQM-UHFFFAOYSA-N -1 0 416.477 4.337 20 0 HIADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCCCCC(=O)[O-])cc12 ZINC000237820161 854102973 /nfs/dbraw/zinc/10/29/73/854102973.db2.gz LTCPXVISMSPEHV-UHFFFAOYSA-N -1 0 405.907 4.424 20 0 HIADRM Cc1cccc2c1N(C(=O)c1ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc1)CC2 ZINC000237827780 854104597 /nfs/dbraw/zinc/10/45/97/854104597.db2.gz KVNYJOCMUQAXDF-UHFFFAOYSA-N -1 0 415.371 4.101 20 0 HIADRM Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1Br ZINC000237844197 854106530 /nfs/dbraw/zinc/10/65/30/854106530.db2.gz PERXXCDHBUFRGS-UHFFFAOYSA-N -1 0 412.230 4.153 20 0 HIADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnn1-c1cccc(Br)c1 ZINC000237855441 854108768 /nfs/dbraw/zinc/10/87/68/854108768.db2.gz RRJOZMGCERHNOI-UHFFFAOYSA-N -1 0 418.222 4.033 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCC[C@H]2c2cc(C)ccc2C)cc1 ZINC000237857519 854109510 /nfs/dbraw/zinc/10/95/10/854109510.db2.gz ASHZLRGGODDTLD-QFIPXVFZSA-N -1 0 403.482 4.473 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)cc1 ZINC000237857550 854109681 /nfs/dbraw/zinc/10/96/81/854109681.db2.gz ASHZLRGGODDTLD-JOCHJYFZSA-N -1 0 403.482 4.473 20 0 HIADRM Cc1c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cnn1-c1cccc(Cl)c1 ZINC000237866780 854110610 /nfs/dbraw/zinc/11/06/10/854110610.db2.gz JREQTFIHCCPNGA-UHFFFAOYSA-N -1 0 420.252 4.203 20 0 HIADRM Cc1nn(-c2ccccc2)cc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237888639 854115939 /nfs/dbraw/zinc/11/59/39/854115939.db2.gz GWYKIEHDMFHXJH-UHFFFAOYSA-N -1 0 401.422 4.050 20 0 HIADRM Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3CC(=O)[O-])cc12 ZINC000237926586 854119792 /nfs/dbraw/zinc/11/97/92/854119792.db2.gz MIAWSZWRGYBQDB-UHFFFAOYSA-N -1 0 423.469 4.473 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000237932044 854121736 /nfs/dbraw/zinc/12/17/36/854121736.db2.gz IXDPEQNXTBPHQI-AEFFLSMTSA-N -1 0 422.378 4.155 20 0 HIADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1 ZINC000237938589 854122756 /nfs/dbraw/zinc/12/27/56/854122756.db2.gz WIEGMXYSVGVLTE-UHFFFAOYSA-N -1 0 400.525 4.308 20 0 HIADRM O=C([O-])C[C@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(F)c1 ZINC000237940913 854122776 /nfs/dbraw/zinc/12/27/76/854122776.db2.gz QLYAQZYVICVPLM-HNNXBMFYSA-N -1 0 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Cc1cc(C)n(-c2ccc(C(=O)N(CC(=O)[O-])Cc3ccc(Cl)cc3)cc2F)n1 ZINC000485697603 900946646 /nfs/dbraw/zinc/94/66/46/900946646.db2.gz SWOZDLUSNRMSGE-UHFFFAOYSA-N -1 0 415.852 4.009 20 0 HIADRM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000485697727 900947638 /nfs/dbraw/zinc/94/76/38/900947638.db2.gz CMLWXQCYUGFDAS-UHFFFAOYSA-N -1 0 404.253 4.397 20 0 HIADRM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000485704442 900954101 /nfs/dbraw/zinc/95/41/01/900954101.db2.gz KURAAEJOYCGVKV-UHFFFAOYSA-N -1 0 404.344 4.087 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1cccc(Br)c1 ZINC000485713667 900963335 /nfs/dbraw/zinc/96/33/35/900963335.db2.gz QOSIUUNYVZKUOH-QZTJIDSGSA-N -1 0 402.288 4.201 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000485723034 900973633 /nfs/dbraw/zinc/97/36/33/900973633.db2.gz DXGNNBDUPNLRIV-QGZVFWFLSA-N -1 0 408.523 4.026 20 0 HIADRM CCOc1cc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)ccc1OCC(=O)[O-] ZINC000485735075 900988475 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CCC(CC)(CNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000236890968 853933052 /nfs/dbraw/zinc/93/30/52/853933052.db2.gz ZAFKHISLQVTEDA-UHFFFAOYSA-N -1 0 408.907 4.275 20 0 HIADRM CCC(CC)(CNC(=O)c1cnn(-c2ccc(C)c(Cl)c2)c1C1CC1)C(=O)[O-] ZINC000236897800 853934099 /nfs/dbraw/zinc/93/40/99/853934099.db2.gz SWAOADLKAQSOIF-UHFFFAOYSA-N -1 0 403.910 4.332 20 0 HIADRM CCOc1ccccc1C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000236903908 853934895 /nfs/dbraw/zinc/93/48/95/853934895.db2.gz YYYJLBRIFRXLJL-UHFFFAOYSA-N -1 0 419.359 4.240 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1sc(-c2ccccc2)nc1C ZINC000236902746 853934968 /nfs/dbraw/zinc/93/49/68/853934968.db2.gz QWNRUIHPQZMARS-UHFFFAOYSA-N -1 0 414.483 4.089 20 0 HIADRM CCCc1nc(C)c(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)s1 ZINC000236931251 853939325 /nfs/dbraw/zinc/93/93/25/853939325.db2.gz MSWNXCDPFCLHEP-UHFFFAOYSA-N -1 0 400.422 4.150 20 0 HIADRM CCc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000236953008 853941580 /nfs/dbraw/zinc/94/15/80/853941580.db2.gz IYBUNVMZNWUCGM-UHFFFAOYSA-N -1 0 403.360 4.404 20 0 HIADRM CCC[C@@](C)(NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000236966083 853944300 /nfs/dbraw/zinc/94/43/00/853944300.db2.gz LCRYCHKUYSLXBV-HXPMCKFVSA-N -1 0 410.923 4.376 20 0 HIADRM CC[C@H](C)[C@@H](NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C)C(=O)[O-] ZINC000236975630 853945342 /nfs/dbraw/zinc/94/53/42/853945342.db2.gz VKXYALVTNUAMKE-ZUZCIYMTSA-N -1 0 408.907 4.191 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])s2)cc1 ZINC000236986880 853947442 /nfs/dbraw/zinc/94/74/42/853947442.db2.gz KKTISWSMTILNNP-LJQANCHMSA-N -1 0 422.506 4.169 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000237000363 853949102 /nfs/dbraw/zinc/94/91/02/853949102.db2.gz GZLCZLQZLWNDBD-GFCCVEGCSA-N -1 0 414.260 4.205 20 0 HIADRM CCC[C@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236996323 853949410 /nfs/dbraw/zinc/94/94/10/853949410.db2.gz QAIMKCYDDQBLBS-SFTDATJTSA-N -1 0 408.498 4.288 20 0 HIADRM CC[C@H](C)[C@@H](C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000237029197 853953397 /nfs/dbraw/zinc/95/33/97/853953397.db2.gz RTQVYSDAEFKLKG-HTAPYJJXSA-N -1 0 422.525 4.392 20 0 HIADRM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237040026 853955761 /nfs/dbraw/zinc/95/57/61/853955761.db2.gz OXMANLRTVCUDKV-SFHVURJKSA-N -1 0 420.494 4.126 20 0 HIADRM Cc1ccc(CN(C)C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)s1 ZINC000237086036 853961872 /nfs/dbraw/zinc/96/18/72/853961872.db2.gz DYNXJXGPYZSWRR-UHFFFAOYSA-N -1 0 423.416 4.231 20 0 HIADRM CCc1ccc(-n2nc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)c3c2CCC3)cc1 ZINC000237111808 853966755 /nfs/dbraw/zinc/96/67/55/853966755.db2.gz GXCPSRZBDVDUKL-UHFFFAOYSA-N -1 0 403.482 4.193 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])ccc21 ZINC000237134556 853970363 /nfs/dbraw/zinc/97/03/63/853970363.db2.gz MNXBXWUOPVGTGL-ZHRRBRCNSA-N -1 0 408.498 4.096 20 0 HIADRM CCc1ccc(CN(C)C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)cc1 ZINC000237136956 853970699 /nfs/dbraw/zinc/97/06/99/853970699.db2.gz KEHJURZBAWBMEZ-UHFFFAOYSA-N -1 0 419.525 4.341 20 0 HIADRM COCc1c(C(=O)N[C@@H](C)c2nc(C)c(C(=O)[O-])s2)sc2cccc(F)c21 ZINC000237186178 853977453 /nfs/dbraw/zinc/97/74/53/853977453.db2.gz CCQILRWPPNDJBL-VIFPVBQESA-N -1 0 408.476 4.141 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000237219974 853985750 /nfs/dbraw/zinc/98/57/50/853985750.db2.gz KPMWWWGAAZPAJZ-PXNSSMCTSA-N -1 0 403.906 4.148 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000237269619 853993880 /nfs/dbraw/zinc/99/38/80/853993880.db2.gz VZQOKNDMWGUJIS-ZTFGCOKTSA-N -1 0 422.308 4.165 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000237284621 853997446 /nfs/dbraw/zinc/99/74/46/853997446.db2.gz OSUGOCVMJWEKJO-CYBMUJFWSA-N -1 0 403.887 4.237 20 0 HIADRM COc1cccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000237304537 854003055 /nfs/dbraw/zinc/00/30/55/854003055.db2.gz OYLTYNNREUKPMA-SCLBCKFNSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2)c2c[nH]c3ccccc32)cc1 ZINC000237321145 854006050 /nfs/dbraw/zinc/00/60/50/854006050.db2.gz KENMHJYZHPPSHA-OAQYLSRUSA-N -1 0 414.461 4.437 20 0 HIADRM COc1ccccc1-c1nn(C)cc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237330383 854007668 /nfs/dbraw/zinc/00/76/68/854007668.db2.gz JMADCORKYHTXQF-UHFFFAOYSA-N -1 0 407.451 4.261 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2csc(-c3ccc(Cl)cc3)n2)sc1C(=O)[O-] ZINC000237368763 854016819 /nfs/dbraw/zinc/01/68/19/854016819.db2.gz GZGIRKGEHVPHEU-SECBINFHSA-N -1 0 407.904 4.418 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12)C(=O)[O-] ZINC000237374527 854017303 /nfs/dbraw/zinc/01/73/03/854017303.db2.gz JFKYANPTUAWWMG-GFCCVEGCSA-N -1 0 402.903 4.359 20 0 HIADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)c1cccc(F)c1 ZINC000237371720 854017384 /nfs/dbraw/zinc/01/73/84/854017384.db2.gz NNDXGNNGCMAAHM-PXAZEXFGSA-N -1 0 408.267 4.414 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237384793 854019504 /nfs/dbraw/zinc/01/95/04/854019504.db2.gz GRDFFPRRPFLDCK-SJORKVTESA-N -1 0 406.482 4.146 20 0 HIADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237390234 854020722 /nfs/dbraw/zinc/02/07/22/854020722.db2.gz LQYIZMLNHAJGTR-SJKOYZFVSA-N -1 0 402.903 4.114 20 0 HIADRM C[C@@H](CN(C)C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C(=O)[O-] ZINC000237413423 854026932 /nfs/dbraw/zinc/02/69/32/854026932.db2.gz HLOHSHDGWJHGSO-NSHDSACASA-N -1 0 410.239 4.173 20 0 HIADRM COc1ccc(-c2ccc(C(=O)NC[C@@H](Cc3ccccc3)C(=O)[O-])c(F)c2)cc1 ZINC000237416522 854027703 /nfs/dbraw/zinc/02/77/03/854027703.db2.gz BXZMWHSMOYDWEO-LJQANCHMSA-N -1 0 407.441 4.175 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 ZINC000237423506 854029612 /nfs/dbraw/zinc/02/96/12/854029612.db2.gz BZNRXYZQVZYQFH-SFHVURJKSA-N -1 0 413.499 4.058 20 0 HIADRM C[C@](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)(C(=O)[O-])C1CC1 ZINC000237444426 854034922 /nfs/dbraw/zinc/03/49/22/854034922.db2.gz LWIYUKZTZNAHHC-HSZRJFAPSA-N -1 0 423.900 4.105 20 0 HIADRM C[C@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1cccc(F)c1 ZINC000237471925 854040131 /nfs/dbraw/zinc/04/01/31/854040131.db2.gz ZVHOMRMSVJQEHK-NSHDSACASA-N -1 0 421.350 4.471 20 0 HIADRM Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccccc3)C[C@H](C)C(=O)[O-])o2)cc1 ZINC000237481759 854041922 /nfs/dbraw/zinc/04/19/22/854041922.db2.gz SYBUIKKPKHSYGY-SFHVURJKSA-N -1 0 406.482 4.332 20 0 HIADRM C[C@@H](CN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)C1CC1)C(=O)[O-] ZINC000237478638 854042179 /nfs/dbraw/zinc/04/21/79/854042179.db2.gz YQPMPIQFXGQBJA-ZDUSSCGKSA-N -1 0 413.861 4.111 20 0 HIADRM COc1ccc(C(C)(C)C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000237477564 854042239 /nfs/dbraw/zinc/04/22/39/854042239.db2.gz UAJHWNUULSXUNO-HXUWFJFHSA-N -1 0 405.494 4.186 20 0 HIADRM Cc1ccc([C@H](C)NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000237483210 854042950 /nfs/dbraw/zinc/04/29/50/854042950.db2.gz KCMSIEDTBKPZMO-ZDUSSCGKSA-N -1 0 417.387 4.389 20 0 HIADRM COc1ccc(C2(C(=O)N[C@@H](C)c3nc(C)c(C(=O)[O-])s3)CCCCC2)cc1 ZINC000237487901 854043450 /nfs/dbraw/zinc/04/34/50/854043450.db2.gz PCUCKVVCBMJSBL-AWEZNQCLSA-N -1 0 402.516 4.238 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)C2(c3ccc(Br)cc3)CCC2)sc1C(=O)[O-] ZINC000237502489 854046225 /nfs/dbraw/zinc/04/62/25/854046225.db2.gz UPULTLWTVDKJFY-LLVKDONJSA-N -1 0 423.332 4.211 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1ccccc1 ZINC000237511109 854047622 /nfs/dbraw/zinc/04/76/22/854047622.db2.gz CYOKTBAPSDMVMT-KSFYIVLOSA-N -1 0 410.514 4.182 20 0 HIADRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237526553 854050566 /nfs/dbraw/zinc/05/05/66/854050566.db2.gz NDHCCTSWOTVEAD-DTJGQCLQSA-N -1 0 412.299 4.011 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccccc1 ZINC000237539159 854051093 /nfs/dbraw/zinc/05/10/93/854051093.db2.gz RBLNGCSFSFMWSD-SCLBCKFNSA-N -1 0 417.387 4.083 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237534346 854051364 /nfs/dbraw/zinc/05/13/64/854051364.db2.gz HPARONDXEZJQKE-GXTWGEPZSA-N -1 0 400.338 4.176 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000237536154 854051463 /nfs/dbraw/zinc/05/14/63/854051463.db2.gz AGSDNQNBSRDZLH-HRAATJIYSA-N -1 0 402.450 4.131 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000237542900 854052352 /nfs/dbraw/zinc/05/23/52/854052352.db2.gz BLGNGWCVLHBAPL-KOLCDFICSA-N -1 0 400.422 4.225 20 0 HIADRM Cc1nc([C@H](C)NC(=O)C(C)(C)c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000237543168 854052570 /nfs/dbraw/zinc/05/25/70/854052570.db2.gz NZABGVCXXWTNDC-JTQLQIEISA-N -1 0 411.321 4.067 20 0 HIADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000237560973 854055324 /nfs/dbraw/zinc/05/53/24/854055324.db2.gz RKLCVVNLYZCCCS-PXAZEXFGSA-N -1 0 413.367 4.235 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc(Br)ccc2Cl)sc1C(=O)[O-] ZINC000237579622 854057157 /nfs/dbraw/zinc/05/71/57/854057157.db2.gz ISVXSCMAAXYONY-ZETCQYMHSA-N -1 0 403.685 4.057 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)cc1 ZINC000237580687 854058754 /nfs/dbraw/zinc/05/87/54/854058754.db2.gz DGRRUQNXYMUKCL-VQIMIIECSA-N -1 0 403.482 4.206 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2ccc(Br)cc2Cl)sc1C(=O)[O-] ZINC000237588214 854059458 /nfs/dbraw/zinc/05/94/58/854059458.db2.gz UJGJWBRAIWLIGG-ZETCQYMHSA-N -1 0 403.685 4.057 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCc2ccc(-c3ccccc3F)o2)sc1C(=O)[O-] ZINC000237584624 854059790 /nfs/dbraw/zinc/05/97/90/854059790.db2.gz SAVQBFSSDBXXIH-GFCCVEGCSA-N -1 0 402.447 4.359 20 0 HIADRM Cc1cc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1Br ZINC000237607177 854060416 /nfs/dbraw/zinc/06/04/16/854060416.db2.gz PMKAVWAGEWSWKE-LIRRHRJNSA-N -1 0 404.304 4.268 20 0 HIADRM C[C@H](CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1)C(=O)[O-] ZINC000237597999 854060865 /nfs/dbraw/zinc/06/08/65/854060865.db2.gz APUNGSLCTQQDCZ-LLVKDONJSA-N -1 0 411.285 4.293 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)C1CCCCC1 ZINC000237616272 854062376 /nfs/dbraw/zinc/06/23/76/854062376.db2.gz JIBBSLTUCDQWFN-HSZRJFAPSA-N -1 0 400.519 4.359 20 0 HIADRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1NC(=O)c1ccccc1F ZINC000237621981 854063803 /nfs/dbraw/zinc/06/38/03/854063803.db2.gz WCZLGQVOKGJMQC-JHVJFLLYSA-N -1 0 424.472 4.244 20 0 HIADRM Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000237635169 854066044 /nfs/dbraw/zinc/06/60/44/854066044.db2.gz OCCJYNDCNMFEFZ-UHFFFAOYSA-N -1 0 420.421 4.245 20 0 HIADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237641823 854067075 /nfs/dbraw/zinc/06/70/75/854067075.db2.gz RKBFCVINOSWIJN-NSHDSACASA-N -1 0 416.836 4.011 20 0 HIADRM Cc1cccc(C[C@@H](CNC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C(=O)[O-])c1 ZINC000237660811 854069554 /nfs/dbraw/zinc/06/95/54/854069554.db2.gz DFGFGWLDYIOVLX-INIZCTEOSA-N -1 0 405.416 4.105 20 0 HIADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)C1 ZINC000237658042 854070058 /nfs/dbraw/zinc/07/00/58/854070058.db2.gz FGUOJPKFJYXGLY-LJQANCHMSA-N -1 0 422.250 4.317 20 0 HIADRM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237660907 854070199 /nfs/dbraw/zinc/07/01/99/854070199.db2.gz YECWSNMQBQFUSN-UHFFFAOYSA-N -1 0 406.394 4.041 20 0 HIADRM Cc1ccc(C)c(CC(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237662511 854071037 /nfs/dbraw/zinc/07/10/37/854071037.db2.gz QLYSJWNIQYVTBA-UHFFFAOYSA-N -1 0 417.387 4.387 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NC(C)(C)c3cccc(F)c3)cc2)c(C)c1CCC(=O)[O-] ZINC000237661265 854071065 /nfs/dbraw/zinc/07/10/65/854071065.db2.gz VWMFHBDPHSIVKH-UHFFFAOYSA-N -1 0 423.488 4.311 20 0 HIADRM Cc1cccc(I)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237665237 854071089 /nfs/dbraw/zinc/07/10/89/854071089.db2.gz AIYWPLDUYYKMMM-UHFFFAOYSA-N -1 0 415.614 4.204 20 0 HIADRM Cc1nc([C@H](C)NC(=O)Cc2cccc(OCc3ccccc3C)c2)sc1C(=O)[O-] ZINC000237663522 854071165 /nfs/dbraw/zinc/07/11/65/854071165.db2.gz XTRZTTMZEQHIEX-INIZCTEOSA-N -1 0 424.522 4.457 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)c1ccccc1 ZINC000237663552 854071193 /nfs/dbraw/zinc/07/11/93/854071193.db2.gz CYOKTBAPSDMVMT-OPAMFIHVSA-N -1 0 410.514 4.182 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237685616 854076244 /nfs/dbraw/zinc/07/62/44/854076244.db2.gz HLHAHSROFLZANV-BFUOFWGJSA-N -1 0 412.486 4.373 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C)c1 ZINC000237707270 854079769 /nfs/dbraw/zinc/07/97/69/854079769.db2.gz UAZOYXXVKMOYBY-XMMPIXPASA-N -1 0 403.482 4.093 20 0 HIADRM Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237711567 854080556 /nfs/dbraw/zinc/08/05/56/854080556.db2.gz 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Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000237749408 854088805 /nfs/dbraw/zinc/08/88/05/854088805.db2.gz LSVMONXLYWHSMJ-UHFFFAOYSA-N -1 0 406.276 4.137 20 0 HIADRM Cc1cccc2c(CC(=O)N(CC(=O)[O-])Cc3ccc(C(F)(F)F)cc3)c[nH]c21 ZINC000237756422 854089786 /nfs/dbraw/zinc/08/97/86/854089786.db2.gz ANMVZVVIHFVJIQ-UHFFFAOYSA-N -1 0 404.388 4.151 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc2cc(Br)ccc2o1)c1ccccc1 ZINC000237758897 854090739 /nfs/dbraw/zinc/09/07/39/854090739.db2.gz QGPYYXDSSFLQCM-DIFFPNOSSA-N -1 0 402.244 4.387 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000237760649 854090822 /nfs/dbraw/zinc/09/08/22/854090822.db2.gz IWCHOPRJTQHLGV-ACJLOTCBSA-N -1 0 417.387 4.083 20 0 HIADRM Cc1c(=O)c2cccc(C(=O)NCc3ccc(C(=O)[O-])cc3)c2oc1-c1ccccc1 ZINC000237762243 854090917 /nfs/dbraw/zinc/09/09/17/854090917.db2.gz OFJBXZZHNJRKJQ-UHFFFAOYSA-N -1 0 413.429 4.397 20 0 HIADRM Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000237771040 854094124 /nfs/dbraw/zinc/09/41/24/854094124.db2.gz ZKVFQQSUWXJGQK-KRWDZBQOSA-N -1 0 414.433 4.395 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)NC4(C(=O)[O-])CCCCC4)cc3)o2)cc1 ZINC000237774482 854095144 /nfs/dbraw/zinc/09/51/44/854095144.db2.gz RZDKADRHJDVZQT-UHFFFAOYSA-N -1 0 405.454 4.229 20 0 HIADRM Cc1cc(SCC(=O)NCCCCCCC(=O)[O-])c(C)cc1Br ZINC000237781316 854096305 /nfs/dbraw/zinc/09/63/05/854096305.db2.gz UFANTZKFWXXYPU-UHFFFAOYSA-N -1 0 402.354 4.309 20 0 HIADRM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237791840 854097922 /nfs/dbraw/zinc/09/79/22/854097922.db2.gz VPGUZEHIOOONRN-KFWWJZLASA-N -1 0 408.317 4.255 20 0 HIADRM Cc1ccc2c(CC(=O)N[C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])coc2c1C ZINC000237814675 854102247 /nfs/dbraw/zinc/10/22/47/854102247.db2.gz COGWPBDSHGZVKF-FQEVSTJZSA-N -1 0 408.429 4.025 20 0 HIADRM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000237836482 854105673 /nfs/dbraw/zinc/10/56/73/854105673.db2.gz HGGHRFLETBRIKB-UHFFFAOYSA-N -1 0 409.511 4.449 20 0 HIADRM Cc1cc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000237831616 854105706 /nfs/dbraw/zinc/10/57/06/854105706.db2.gz HSBXQZMCFIZOHZ-UHFFFAOYSA-N -1 0 406.360 4.091 20 0 HIADRM Cc1cc2cc(C(=O)Nc3cccc(C(=O)N4CCCC[C@H]4C(=O)[O-])c3)oc2cc1C ZINC000237836826 854106502 /nfs/dbraw/zinc/10/65/02/854106502.db2.gz SYCKGWUPDFQXSK-IBGZPJMESA-N -1 0 420.465 4.381 20 0 HIADRM Cc1ccc(-n2ncc(C(=O)Nc3cc(C(=O)[O-])ccc3F)c2C(F)(F)F)cc1 ZINC000237844643 854106611 /nfs/dbraw/zinc/10/66/11/854106611.db2.gz HYJCLACKOWRBNR-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237838071 854106662 /nfs/dbraw/zinc/10/66/62/854106662.db2.gz SZULCRDEQYBZER-KRWDZBQOSA-N -1 0 417.937 4.097 20 0 HIADRM Cc1c(C(=O)Nc2cc(C(=O)[O-])ccc2F)cnn1-c1ccc(Br)cc1 ZINC000237855357 854108559 /nfs/dbraw/zinc/10/85/59/854108559.db2.gz MLFQQQPTHFKHPB-UHFFFAOYSA-N -1 0 418.222 4.033 20 0 HIADRM Cn1c2ccccc2nc1[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000237872533 854111825 /nfs/dbraw/zinc/11/18/25/854111825.db2.gz NBGAWOVWSYLZTM-QHCPKHFHSA-N -1 0 413.477 4.110 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)cc1 ZINC000237872900 854112735 /nfs/dbraw/zinc/11/27/35/854112735.db2.gz AOVRYVRMLWSXNE-JOCHJYFZSA-N -1 0 403.482 4.473 20 0 HIADRM Cc1cc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c(Cl)cc1F ZINC000237890330 854115963 /nfs/dbraw/zinc/11/59/63/854115963.db2.gz URLRNBYXGLSOBM-SFHVURJKSA-N -1 0 418.852 4.119 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCCCCCC(=O)[O-])cc12 ZINC000237898196 854116803 /nfs/dbraw/zinc/11/68/03/854116803.db2.gz YNNZAGOFCZBTFM-UHFFFAOYSA-N -1 0 419.934 4.483 20 0 HIADRM O=C([O-])C1(CC(=O)Nc2cc(Br)ccc2Cl)Cc2ccccc2C1 ZINC000237915129 854119008 /nfs/dbraw/zinc/11/90/08/854119008.db2.gz MIKNWWAFAMGBSE-UHFFFAOYSA-N -1 0 408.679 4.301 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc12 ZINC000237928568 854120715 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ZINC000485368667 900666125 /nfs/dbraw/zinc/66/61/25/900666125.db2.gz SUAQPELPEYTBCX-KURKYZTESA-N -1 0 402.288 4.275 20 0 HIADRM CC[C@@](NC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1)(C(=O)[O-])c1ccccc1 ZINC000485368691 900666343 /nfs/dbraw/zinc/66/63/43/900666343.db2.gz TYEOKIMXQSUVMA-DEOSSOPVSA-N -1 0 410.514 4.110 20 0 HIADRM CC[C@](C)(NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1)C(=O)[O-] ZINC000485369743 900668111 /nfs/dbraw/zinc/66/81/11/900668111.db2.gz APKTYTIHPLRPLR-IBGZPJMESA-N -1 0 405.907 4.091 20 0 HIADRM CC[C@](C)(NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1)C(=O)[O-] ZINC000485371639 900669322 /nfs/dbraw/zinc/66/93/22/900669322.db2.gz HHEZRNXPCFTJSO-IBGZPJMESA-N -1 0 405.907 4.091 20 0 HIADRM CC[C@](NC(=O)CSCc1cc(-c2cccs2)on1)(C(=O)[O-])c1ccccc1 ZINC000485371120 900669449 /nfs/dbraw/zinc/66/94/49/900669449.db2.gz HVGAWFIBLYVWOC-HXUWFJFHSA-N -1 0 416.524 4.143 20 0 HIADRM Cc1nc(COc2cccc(C(=O)N[C@@H](CCC(=O)[O-])c3ccccc3)c2)cs1 ZINC000485374346 900670996 /nfs/dbraw/zinc/67/09/96/900670996.db2.gz 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O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000485389421 900684925 /nfs/dbraw/zinc/68/49/25/900684925.db2.gz ZKCXDTHYJVXPRY-IRXDYDNUSA-N -1 0 420.560 4.034 20 0 HIADRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1C ZINC000485390414 900686816 /nfs/dbraw/zinc/68/68/16/900686816.db2.gz MEVPZWJVFUZHIK-SECBINFHSA-N -1 0 406.733 4.379 20 0 HIADRM CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1C ZINC000485396969 900694559 /nfs/dbraw/zinc/69/45/59/900694559.db2.gz PIVXUTLJBSPWSL-VIFPVBQESA-N -1 0 406.733 4.379 20 0 HIADRM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485398316 900696151 /nfs/dbraw/zinc/69/61/51/900696151.db2.gz JIUBVLHMBKVMFM-UHFFFAOYSA-N -1 0 402.299 4.245 20 0 HIADRM COC(=O)CSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485402364 900700754 /nfs/dbraw/zinc/70/07/54/900700754.db2.gz VHWKPTUAUDARHH-UHFFFAOYSA-N -1 0 420.339 4.200 20 0 HIADRM COc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)sc2c1 ZINC000485442683 900738938 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411.266 4.133 20 0 HIADRM CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000485469872 900763951 /nfs/dbraw/zinc/76/39/51/900763951.db2.gz QATAZBIRMAVDTC-UHFFFAOYSA-N -1 0 400.441 4.269 20 0 HIADRM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl)N1CCCC1 ZINC000485471408 900765616 /nfs/dbraw/zinc/76/56/16/900765616.db2.gz PIQOPZCBFUDHKF-UHFFFAOYSA-N -1 0 417.289 4.169 20 0 HIADRM O=C(CC/C=C\c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000485475981 900769441 /nfs/dbraw/zinc/76/94/41/900769441.db2.gz HCXJPONSSRIDRS-WTKPLQERSA-N -1 0 413.524 4.376 20 0 HIADRM CSc1ccc(C)c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c1 ZINC000485497783 900786746 /nfs/dbraw/zinc/78/67/46/900786746.db2.gz GWSFHKNUPTWKLY-UHFFFAOYSA-N -1 0 419.553 4.227 20 0 HIADRM Cc1cc(S(=O)(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)sc1C(=O)[O-] ZINC000505821785 914477435 /nfs/dbraw/zinc/47/74/35/914477435.db2.gz QPJBJSQGCCIZOV-MRXNPFEDSA-N -1 0 415.483 4.005 20 0 HIADRM COc1ccc(C2(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)CCCC2)cc1 ZINC000485532218 900811371 /nfs/dbraw/zinc/81/13/71/900811371.db2.gz VDRAEBLLYBRIQZ-UHFFFAOYSA-N -1 0 407.510 4.152 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000485539934 900816230 /nfs/dbraw/zinc/81/62/30/900816230.db2.gz GHCLHBDPTSMJAR-GOSISDBHSA-N -1 0 412.486 4.441 20 0 HIADRM CCc1ccc(S(=O)(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000505822406 914479663 /nfs/dbraw/zinc/47/96/63/914479663.db2.gz YPFGDWOYTFTGCL-HXUWFJFHSA-N -1 0 423.481 4.198 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccc(F)cc1 ZINC000485553324 900827102 /nfs/dbraw/zinc/82/71/02/900827102.db2.gz YFONCJIAJYZZSF-CQSZACIVSA-N -1 0 423.213 4.154 20 0 HIADRM CCCN(CC(=O)[O-])C(=O)CCc1c2ccccc2[nH]c1-c1ccc(OC)cc1OC ZINC000485584380 900848633 /nfs/dbraw/zinc/84/86/33/900848633.db2.gz XWOYBFPWSLPYSL-UHFFFAOYSA-N -1 0 424.497 4.108 20 0 HIADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC(c3c(F)cccc3F)CC2)n1 ZINC000485613507 900871151 /nfs/dbraw/zinc/87/11/51/900871151.db2.gz KRBLUTCZFYZPMG-UHFFFAOYSA-N -1 0 415.415 4.323 20 0 HIADRM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3S[C@H](C)C(=O)[O-])c2)n1 ZINC000485633991 900888092 /nfs/dbraw/zinc/88/80/92/900888092.db2.gz FQVHMAQECXFJQN-CYBMUJFWSA-N -1 0 423.494 4.229 20 0 HIADRM CCOc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)ccc1OCC(=O)[O-] ZINC000485656761 900908858 /nfs/dbraw/zinc/90/88/58/900908858.db2.gz TXCPPYAAOBRYEE-UHFFFAOYSA-N -1 0 415.467 4.046 20 0 HIADRM O=C([O-])c1ccc(CCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)cc1 ZINC000485660648 900911428 /nfs/dbraw/zinc/91/14/28/900911428.db2.gz JGLCEQUWHIMDOO-UHFFFAOYSA-N -1 0 423.490 4.384 20 0 HIADRM CC(C)(NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1ccccc1 ZINC000485665858 900917058 /nfs/dbraw/zinc/91/70/58/900917058.db2.gz MQBDASOHLFEWEQ-UHFFFAOYSA-N -1 0 417.387 4.254 20 0 HIADRM CCOc1cc(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)ccc1OCC(=O)[O-] ZINC000485669486 900920159 /nfs/dbraw/zinc/92/01/59/900920159.db2.gz UEKUDJJAXXKYAP-UHFFFAOYSA-N -1 0 410.470 4.412 20 0 HIADRM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000485673825 900924775 /nfs/dbraw/zinc/92/47/75/900924775.db2.gz PTFMINOCRBLMAY-SFHVURJKSA-N -1 0 402.288 4.444 20 0 HIADRM Cc1oc(-c2ccsc2)nc1CC(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000485714611 900962649 /nfs/dbraw/zinc/96/26/49/900962649.db2.gz FAUGBIVWZYYGBP-UHFFFAOYSA-N -1 0 404.875 4.021 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000485716325 900964590 /nfs/dbraw/zinc/96/45/90/900964590.db2.gz CTRHBKKODGTTCS-GFCCVEGCSA-N -1 0 422.275 4.341 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H](C)c1ccc(Br)s1)C(=O)[O-] ZINC000485729613 900981638 /nfs/dbraw/zinc/98/16/38/900981638.db2.gz FDNIATDFFWVJHE-CHWSQXEVSA-N -1 0 410.333 4.364 20 0 HIADRM CCOc1cc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)ccc1OCC(=O)[O-] ZINC000485729666 900982440 /nfs/dbraw/zinc/98/24/40/900982440.db2.gz FULCCJKWFOOZBA-RHSMWYFYSA-N -1 0 401.459 4.064 20 0 HIADRM CCOc1cc(C(=O)NCC2(c3cccs3)CCCCC2)ccc1OCC(=O)[O-] ZINC000485750882 901006594 /nfs/dbraw/zinc/00/65/94/901006594.db2.gz ONJIEQFAXCHIMX-UHFFFAOYSA-N -1 0 417.527 4.242 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000485751060 901007217 /nfs/dbraw/zinc/00/72/17/901007217.db2.gz JTPQIYSHJAKBBG-MRXNPFEDSA-N -1 0 422.506 4.364 20 0 HIADRM CCO[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C12CCC2 ZINC000485755122 901012021 /nfs/dbraw/zinc/01/20/21/901012021.db2.gz UQYGKEPYJZNPPC-RBUKOAKNSA-N -1 0 415.511 4.348 20 0 HIADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000485766678 901023131 /nfs/dbraw/zinc/02/31/31/901023131.db2.gz ACGGLLZRHOIFCF-ZLIFDBKOSA-N -1 0 402.318 4.073 20 0 HIADRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000485775608 901032070 /nfs/dbraw/zinc/03/20/70/901032070.db2.gz MNYHIHBANMVTLB-CFVMTHIKSA-N -1 0 402.318 4.073 20 0 HIADRM O=C([O-])CCSCc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000485793207 901045882 /nfs/dbraw/zinc/04/58/82/901045882.db2.gz NHDNNFKCNAZDEY-UHFFFAOYSA-N 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ZINC000236946245 853941272 /nfs/dbraw/zinc/94/12/72/853941272.db2.gz ICRPURYHRCNEIU-SFHVURJKSA-N -1 0 402.853 4.328 20 0 HIADRM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000236947054 853941570 /nfs/dbraw/zinc/94/15/70/853941570.db2.gz AIVXTMIVFKXFTC-XWCIJXRUSA-N -1 0 410.923 4.232 20 0 HIADRM CCC[C@@](C)(NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C)C(=O)[O-] ZINC000236957810 853942084 /nfs/dbraw/zinc/94/20/84/853942084.db2.gz MSKOJGLZBSJXPD-LJQANCHMSA-N -1 0 412.317 4.098 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)C(C)(C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000236992901 853948514 /nfs/dbraw/zinc/94/85/14/853948514.db2.gz RRLPUPSAXQDTMW-MRXNPFEDSA-N -1 0 403.906 4.076 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000237076269 853961069 /nfs/dbraw/zinc/96/10/69/853961069.db2.gz XIAMXKYZOXWRRF-UHFFFAOYSA-N -1 0 403.482 4.247 20 0 HIADRM Cc1cccc(N(C)C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237100237 853963959 /nfs/dbraw/zinc/96/39/59/853963959.db2.gz HXRJDVUNIZBEQL-UHFFFAOYSA-N -1 0 403.360 4.174 20 0 HIADRM CCc1cc(C)c(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)o1 ZINC000237115019 853966169 /nfs/dbraw/zinc/96/61/69/853966169.db2.gz ZOLKURAFAJXWHK-UHFFFAOYSA-N -1 0 407.348 4.305 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237114012 853966596 /nfs/dbraw/zinc/96/65/96/853966596.db2.gz MSJNRSHGBUZGEM-UHFFFAOYSA-N -1 0 417.387 4.170 20 0 HIADRM CCc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000237116024 853966795 /nfs/dbraw/zinc/96/67/95/853966795.db2.gz UQHSGGVZGKPMNI-UHFFFAOYSA-N -1 0 409.511 4.395 20 0 HIADRM CCc1ccc(CNC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)s1 ZINC000237140872 853971567 /nfs/dbraw/zinc/97/15/67/853971567.db2.gz ZQHNZUBYUZOMNS-UHFFFAOYSA-N -1 0 423.416 4.143 20 0 HIADRM COCc1c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)sc2cccc(F)c21 ZINC000237186891 853977592 /nfs/dbraw/zinc/97/75/92/853977592.db2.gz XWADHDPRBQRCSX-MRXNPFEDSA-N -1 0 401.459 4.441 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)C(=O)[O-] ZINC000237237432 853988495 /nfs/dbraw/zinc/98/84/95/853988495.db2.gz BCASTCXQVHPLAZ-HNNXBMFYSA-N -1 0 413.857 4.282 20 0 HIADRM COc1ccccc1[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237249514 853991038 /nfs/dbraw/zinc/99/10/38/853991038.db2.gz NBXPTHZQKLNNLV-DYVFJYSZSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237257246 853992345 /nfs/dbraw/zinc/99/23/45/853992345.db2.gz XVHYMMRVKNCLKU-INIZCTEOSA-N -1 0 417.452 4.287 20 0 HIADRM COc1cc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)ccc1C ZINC000237271376 853995548 /nfs/dbraw/zinc/99/55/48/853995548.db2.gz DVMXXHXDALEDGH-UHFFFAOYSA-N -1 0 419.359 4.159 20 0 HIADRM COc1cccc(C2(C(=O)N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)CCCC2)c1 ZINC000237289824 853998540 /nfs/dbraw/zinc/99/85/40/853998540.db2.gz GBCFVCFFGOHUDI-UHFFFAOYSA-N -1 0 418.493 4.271 20 0 HIADRM COc1cc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)ccc1C(=O)[O-] ZINC000237314422 854004748 /nfs/dbraw/zinc/00/47/48/854004748.db2.gz CMTSSGKPCBEKRI-UHFFFAOYSA-N -1 0 416.886 4.029 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Br)c2)cc1 ZINC000237352241 854011423 /nfs/dbraw/zinc/01/14/23/854011423.db2.gz LVPPZQDKVKEBGJ-OAHLLOKOSA-N -1 0 412.280 4.256 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000237352797 854011614 /nfs/dbraw/zinc/01/16/14/854011614.db2.gz XUJYHLFTHSGYSC-MRXNPFEDSA-N -1 0 408.317 4.425 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cccc(OCc3cccs3)c2)sc1C(=O)[O-] ZINC000237354772 854012358 /nfs/dbraw/zinc/01/23/58/854012358.db2.gz QRKQKJZJRPBOCD-GFCCVEGCSA-N -1 0 402.497 4.281 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(Br)ccc2C)cc1 ZINC000237360758 854013679 /nfs/dbraw/zinc/01/36/79/854013679.db2.gz BCXQTIXOAGQILP-INIZCTEOSA-N -1 0 408.317 4.425 20 0 HIADRM C[C@@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237363249 854014879 /nfs/dbraw/zinc/01/48/79/854014879.db2.gz NYWOQZQVWXBQJL-WBMJQRKESA-N -1 0 408.317 4.262 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(=O)[O-] ZINC000237367916 854015632 /nfs/dbraw/zinc/01/56/32/854015632.db2.gz RFISMLISJXGVRH-SECBINFHSA-N -1 0 415.355 4.209 20 0 HIADRM COc1cccc2cc(C(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])oc21 ZINC000237368483 854015802 /nfs/dbraw/zinc/01/58/02/854015802.db2.gz PEJNIBRXOKJXQA-LJQANCHMSA-N -1 0 403.434 4.268 20 0 HIADRM C[C@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237375406 854017402 /nfs/dbraw/zinc/01/74/02/854017402.db2.gz OSDAFQOLAMBJMV-YJYMSZOUSA-N -1 0 418.415 4.492 20 0 HIADRM C[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1cccc(F)c1 ZINC000237383482 854018312 /nfs/dbraw/zinc/01/83/12/854018312.db2.gz QDEBFRPDBDUZQK-YWZLYKJASA-N -1 0 412.461 4.037 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237384641 854019385 /nfs/dbraw/zinc/01/93/85/854019385.db2.gz GRDFFPRRPFLDCK-DLBZAZTESA-N -1 0 406.482 4.146 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)cc12 ZINC000237391324 854021704 /nfs/dbraw/zinc/02/17/04/854021704.db2.gz NVBOYYOEDJNWLL-LLVKDONJSA-N -1 0 417.918 4.374 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)sc1C(=O)[O-] ZINC000237406931 854026000 /nfs/dbraw/zinc/02/60/00/854026000.db2.gz OGDOJIKIHUWGGG-CABCVRRESA-N -1 0 410.495 4.461 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(C(C)C)nn(C)c3s2)cc1 ZINC000237413920 854026548 /nfs/dbraw/zinc/02/65/48/854026548.db2.gz RZFWSPQOZBJUOI-OAHLLOKOSA-N -1 0 417.556 4.426 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c(Cl)c3ccccc3n2C)cc1 ZINC000237412973 854027011 /nfs/dbraw/zinc/02/70/11/854027011.db2.gz NTUREDQKKVBAQJ-OAHLLOKOSA-N -1 0 402.903 4.499 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@H](C)c3ccccc3F)cc2)c(C)c1CCC(=O)[O-] ZINC000237418269 854028850 /nfs/dbraw/zinc/02/88/50/854028850.db2.gz HMCKPBNSICISNO-MRXNPFEDSA-N -1 0 423.488 4.479 20 0 HIADRM C[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237418637 854028906 /nfs/dbraw/zinc/02/89/06/854028906.db2.gz YZVZDYQYXJFJEL-CYBMUJFWSA-N -1 0 417.387 4.423 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)CCC(=O)[O-])cc12 ZINC000237434872 854032578 /nfs/dbraw/zinc/03/25/78/854032578.db2.gz GFVIIWPRAMXOET-LLVKDONJSA-N -1 0 405.907 4.091 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237445048 854034737 /nfs/dbraw/zinc/03/47/37/854034737.db2.gz OETWPAHNKBNXEG-NSHDSACASA-N -1 0 424.328 4.050 20 0 HIADRM C[C@@H](CC(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000237447537 854034779 /nfs/dbraw/zinc/03/47/79/854034779.db2.gz XALAJOHXUQKFJW-AWEZNQCLSA-N -1 0 409.404 4.021 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237495239 854045185 /nfs/dbraw/zinc/04/51/85/854045185.db2.gz ALRQGPFRLBHCEC-RFAUZJTJSA-N -1 0 418.223 4.371 20 0 HIADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000237515074 854048326 /nfs/dbraw/zinc/04/83/26/854048326.db2.gz WRNFWTZYDGNRLP-OAHLLOKOSA-N -1 0 420.440 4.196 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1[nH]c2ccccc2c1Br)c1ccccc1 ZINC000237531957 854050247 /nfs/dbraw/zinc/05/02/47/854050247.db2.gz JVJXGWBISDQMHM-MEDUHNTESA-N -1 0 401.260 4.122 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237544856 854052213 /nfs/dbraw/zinc/05/22/13/854052213.db2.gz HLHAHSROFLZANV-ORAYPTAESA-N -1 0 412.486 4.373 20 0 HIADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237548267 854053117 /nfs/dbraw/zinc/05/31/17/854053117.db2.gz BAXARWGVOCSQPS-QGZVFWFLSA-N -1 0 408.498 4.064 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000237557137 854054572 /nfs/dbraw/zinc/05/45/72/854054572.db2.gz IZTADNMXJOHRNP-ZDUSSCGKSA-N -1 0 414.458 4.018 20 0 HIADRM C[C@@H](SCc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237621406 854064037 /nfs/dbraw/zinc/06/40/37/854064037.db2.gz OJWBPYCGSNXQMC-CXAGYDPISA-N -1 0 422.344 4.403 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000237627172 854065122 /nfs/dbraw/zinc/06/51/22/854065122.db2.gz OEKPRXMKLYCUHB-HNNXBMFYSA-N -1 0 422.506 4.489 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)cc12 ZINC000237635275 854065825 /nfs/dbraw/zinc/06/58/25/854065825.db2.gz JBNWPVGYENTEEJ-HXUWFJFHSA-N -1 0 417.918 4.091 20 0 HIADRM Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCCCCCC(=O)[O-] ZINC000237634457 854066187 /nfs/dbraw/zinc/06/61/87/854066187.db2.gz GHTCYBZWNOKQBN-UHFFFAOYSA-N -1 0 410.470 4.398 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000237643791 854066705 /nfs/dbraw/zinc/06/67/05/854066705.db2.gz UYQICORGCFXFEN-UHFFFAOYSA-N -1 0 400.818 4.474 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237643800 854066827 /nfs/dbraw/zinc/06/68/27/854066827.db2.gz BWJASNWKMWATFH-CQSZACIVSA-N -1 0 422.934 4.401 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000237655360 854068888 /nfs/dbraw/zinc/06/88/88/854068888.db2.gz QHLFWFLIPKSNKM-KRWDZBQOSA-N -1 0 416.449 4.266 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)cc12 ZINC000237655853 854069161 /nfs/dbraw/zinc/06/91/61/854069161.db2.gz QMVPCABTXWVEDS-LJQANCHMSA-N -1 0 403.891 4.032 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000237666176 854071680 /nfs/dbraw/zinc/07/16/80/854071680.db2.gz LQUHEEGACAGKGY-INIZCTEOSA-N -1 0 401.260 4.185 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)c2cc(Br)ccc2Cl)C(=O)[O-])c1 ZINC000237672647 854073238 /nfs/dbraw/zinc/07/32/38/854073238.db2.gz YKUTXPTYFTVFDK-CYBMUJFWSA-N -1 0 410.695 4.084 20 0 HIADRM Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237673682 854073248 /nfs/dbraw/zinc/07/32/48/854073248.db2.gz CUXMJMSHMHLZHA-UHFFFAOYSA-N -1 0 412.829 4.122 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)c2ccc(Br)cc2Cl)C(=O)[O-])c1 ZINC000237674203 854073261 /nfs/dbraw/zinc/07/32/61/854073261.db2.gz DHCSBQASHYHBBJ-CYBMUJFWSA-N -1 0 410.695 4.084 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000237681627 854074417 /nfs/dbraw/zinc/07/44/17/854074417.db2.gz BWZRGESHRCJANX-VGOFRKELSA-N -1 0 416.477 4.155 20 0 HIADRM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000237685498 854075013 /nfs/dbraw/zinc/07/50/13/854075013.db2.gz JHCXKFDIGDGJSB-LJQANCHMSA-N -1 0 406.507 4.008 20 0 HIADRM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(OCC(=O)[O-])c4ccccc34)c2)cs1 ZINC000237689688 854075941 /nfs/dbraw/zinc/07/59/41/854075941.db2.gz UGILHRAJDAJQCV-UHFFFAOYSA-N -1 0 407.451 4.316 20 0 HIADRM C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000237692525 854077173 /nfs/dbraw/zinc/07/71/73/854077173.db2.gz QOPNXBAKKPXBAA-STQMWFEESA-N -1 0 409.408 4.240 20 0 HIADRM Cc1nc(-c2cccc(C(=O)N[C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])c2)cs1 ZINC000237698654 854077993 /nfs/dbraw/zinc/07/79/93/854077993.db2.gz 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Cc1ccccc1-c1nc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cs1 ZINC000237723709 854083637 /nfs/dbraw/zinc/08/36/37/854083637.db2.gz GFRVQYUVSWKUHL-UHFFFAOYSA-N -1 0 406.507 4.377 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237730859 854084914 /nfs/dbraw/zinc/08/49/14/854084914.db2.gz RACRUIUSPNWHLS-IBGZPJMESA-N -1 0 424.881 4.038 20 0 HIADRM Cc1[nH]c2c(cccc2C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1C ZINC000237737961 854086607 /nfs/dbraw/zinc/08/66/07/854086607.db2.gz MYECVJLTHVQBIZ-FQEVSTJZSA-N -1 0 419.481 4.116 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000237737057 854086690 /nfs/dbraw/zinc/08/66/90/854086690.db2.gz MSSFMAVQIPDULB-UHFFFAOYSA-N -1 0 412.442 4.076 20 0 HIADRM Cc1cc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c(C)n1Cc1ccccc1 ZINC000237744812 854087839 /nfs/dbraw/zinc/08/78/39/854087839.db2.gz TVRCKIPMQWBBDT-UHFFFAOYSA-N -1 0 420.509 4.327 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000237743854 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CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000431812876 858823503 /nfs/dbraw/zinc/82/35/03/858823503.db2.gz SCKJLEBMPXJLID-KRWDZBQOSA-N -1 0 420.868 4.410 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c(Br)c1 ZINC000431812249 858823542 /nfs/dbraw/zinc/82/35/42/858823542.db2.gz KVWQUMXKSXZLGD-HNNXBMFYSA-N -1 0 414.658 4.496 20 0 HIADRM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 ZINC000431815567 858825268 /nfs/dbraw/zinc/82/52/68/858825268.db2.gz RVEJSWWNLLKJQZ-GXFFZTMASA-N -1 0 400.283 4.036 20 0 HIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000431969877 858894204 /nfs/dbraw/zinc/89/42/04/858894204.db2.gz AUJSQFFCZQLPSO-UHFFFAOYSA-N -1 0 409.511 4.466 20 0 HIADRM Cc1cc(-c2noc(CCC(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)n2)ccc1F ZINC000431978874 858899725 /nfs/dbraw/zinc/89/97/25/858899725.db2.gz AGRAOINRWNTJAS-AWEZNQCLSA-N -1 0 411.433 4.019 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc(Cl)c2Cl)cc1)C(=O)[O-] 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MWOOFFJFFGISIM-UHFFFAOYSA-N -1 0 417.387 4.082 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000237065536 853959020 /nfs/dbraw/zinc/95/90/20/853959020.db2.gz KBFOWSPKZMEYSU-OAHLLOKOSA-N -1 0 402.516 4.035 20 0 HIADRM COc1ccccc1/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237094283 853963133 /nfs/dbraw/zinc/96/31/33/853963133.db2.gz DYPSVGMSMFWIKL-MLFXKNMZSA-N -1 0 418.287 4.193 20 0 HIADRM CCc1ccc(CCNC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)cc1 ZINC000237135266 853970506 /nfs/dbraw/zinc/97/05/06/853970506.db2.gz YGJJPXKGRWPIPR-UHFFFAOYSA-N -1 0 419.525 4.041 20 0 HIADRM CN(Cc1ccccc1F)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237159053 853974433 /nfs/dbraw/zinc/97/44/33/853974433.db2.gz MIYBBYGMPRRDBY-UHFFFAOYSA-N -1 0 421.350 4.001 20 0 HIADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237188108 853978683 /nfs/dbraw/zinc/97/86/83/853978683.db2.gz OWFXBOHUYWEBNI-GUYCJALGSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2C)cc1Br ZINC000237195023 853979385 /nfs/dbraw/zinc/97/93/85/853979385.db2.gz RKJVOHJEINSXAS-QGZVFWFLSA-N -1 0 420.303 4.031 20 0 HIADRM CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C1(C(=O)[O-])CC1 ZINC000237234583 853987885 /nfs/dbraw/zinc/98/78/85/853987885.db2.gz PUUXSPORFGSZPX-UHFFFAOYSA-N -1 0 409.873 4.016 20 0 HIADRM COc1ccccc1[C@H](C)CC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000237245878 853989526 /nfs/dbraw/zinc/98/95/26/853989526.db2.gz UJKPEWVWRVSVJM-CQSZACIVSA-N -1 0 409.404 4.321 20 0 HIADRM COc1ccccc1[C@H](C)CC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237248401 853990684 /nfs/dbraw/zinc/99/06/84/853990684.db2.gz JFCDWKHIUQHPHH-UTKZUKDTSA-N -1 0 405.494 4.402 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)C(=O)[O-] ZINC000237270187 853993775 /nfs/dbraw/zinc/99/37/75/853993775.db2.gz FMVLQTRYPCXFSZ-STZQEDGTSA-N -1 0 403.478 4.012 20 0 HIADRM COc1cc(CNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)ccc1C(=O)[O-] ZINC000237308733 854003558 /nfs/dbraw/zinc/00/35/58/854003558.db2.gz GYFURVZBRPFODF-UHFFFAOYSA-N -1 0 408.281 4.438 20 0 HIADRM COc1ccc2oc(C(=O)N(CCC(=O)[O-])Cc3cccc(F)c3F)c(C)c2c1 ZINC000237306754 854003967 /nfs/dbraw/zinc/00/39/67/854003967.db2.gz ZCZWERQWRKKEJH-UHFFFAOYSA-N -1 0 403.381 4.145 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237349711 854010522 /nfs/dbraw/zinc/01/05/22/854010522.db2.gz HPARONDXEZJQKE-OCCSQVGLSA-N -1 0 400.338 4.176 20 0 HIADRM COc1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])s2)c2c[nH]c3ccccc32)cc1 ZINC000237352657 854011526 /nfs/dbraw/zinc/01/15/26/854011526.db2.gz HBIAEOBRBJTDMY-KRWDZBQOSA-N -1 0 420.490 4.498 20 0 HIADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237359620 854013724 /nfs/dbraw/zinc/01/37/24/854013724.db2.gz BAXARWGVOCSQPS-KRWDZBQOSA-N -1 0 408.498 4.064 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)cc1 ZINC000237365363 854015744 /nfs/dbraw/zinc/01/57/44/854015744.db2.gz CNAOGGNLPHUZBF-IERDGZPVSA-N -1 0 403.482 4.145 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)sc1C(=O)[O-] ZINC000237370535 854016543 /nfs/dbraw/zinc/01/65/43/854016543.db2.gz ZCZSZJAJGRJVHC-CQSZACIVSA-N -1 0 424.526 4.231 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)sc1C(=O)[O-] ZINC000237381165 854018631 /nfs/dbraw/zinc/01/86/31/854018631.db2.gz LZHVXNCKSCAYHY-CYBMUJFWSA-N -1 0 420.494 4.288 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000237384465 854019545 /nfs/dbraw/zinc/01/95/45/854019545.db2.gz HZJTUEVQINFRJD-UHFFFAOYSA-N -1 0 418.449 4.384 20 0 HIADRM C[C@H](CCC(=O)[O-])NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000237394851 854021175 /nfs/dbraw/zinc/02/11/75/854021175.db2.gz XFWPFMBZGAKHCR-OAHLLOKOSA-N -1 0 411.889 4.105 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)CCc1cccc(Br)c1)C(=O)[O-] ZINC000237394897 854021427 /nfs/dbraw/zinc/02/14/27/854021427.db2.gz BODJEEDMQHMMSI-OAHLLOKOSA-N -1 0 404.304 4.131 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC000237403205 854024811 /nfs/dbraw/zinc/02/48/11/854024811.db2.gz JJIIAIZEWGBYCC-ZMYBRWDISA-N -1 0 416.315 4.302 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000237407984 854025995 /nfs/dbraw/zinc/02/59/95/854025995.db2.gz GLDYPEXEDYABJI-QGZVFWFLSA-N -1 0 402.903 4.418 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000237419844 854028396 /nfs/dbraw/zinc/02/83/96/854028396.db2.gz GLDYPEXEDYABJI-KRWDZBQOSA-N -1 0 402.903 4.418 20 0 HIADRM C[C@H](CCC(=O)[O-])NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000237428424 854031357 /nfs/dbraw/zinc/03/13/57/854031357.db2.gz CCXAVYFDWSZYPG-OAHLLOKOSA-N -1 0 411.889 4.235 20 0 HIADRM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237439926 854033930 /nfs/dbraw/zinc/03/39/30/854033930.db2.gz RCQSXJPEXMCKOV-GOSISDBHSA-N -1 0 409.526 4.396 20 0 HIADRM C[C@@H](CN(C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C1CC1)C(=O)[O-] ZINC000237446487 854034945 /nfs/dbraw/zinc/03/49/45/854034945.db2.gz CUCFSASHZDZMHV-JTQLQIEISA-N -1 0 413.326 4.371 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000237466046 854037874 /nfs/dbraw/zinc/03/78/74/854037874.db2.gz VHQIMVTZDUJVKE-MVWJERBFSA-N -1 0 414.405 4.029 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)sc1C(=O)[O-] ZINC000237471216 854039795 /nfs/dbraw/zinc/03/97/95/854039795.db2.gz QQGFDJWODUPIOY-ZDUSSCGKSA-N -1 0 422.466 4.086 20 0 HIADRM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237478045 854042536 /nfs/dbraw/zinc/04/25/36/854042536.db2.gz LXWWUTJASDLGMG-KDOFPFPSSA-N -1 0 420.303 4.186 20 0 HIADRM C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237488569 854044149 /nfs/dbraw/zinc/04/41/49/854044149.db2.gz CGFPJMTUSOWXNH-ZDUSSCGKSA-N -1 0 412.486 4.318 20 0 HIADRM C[C@@H]1C[C@H](CC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)CC(C)(C)C1 ZINC000237490062 854044325 /nfs/dbraw/zinc/04/43/25/854044325.db2.gz NDZLEZNKABQRLS-IAGOWNOFSA-N -1 0 414.546 4.414 20 0 HIADRM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000237515672 854048249 /nfs/dbraw/zinc/04/82/49/854048249.db2.gz VPLXLCDPIXKBLO-OLZOCXBDSA-N -1 0 409.408 4.145 20 0 HIADRM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000237528094 854050330 /nfs/dbraw/zinc/05/03/30/854050330.db2.gz PLBJKMCGIOXFPR-LBPRGKRZSA-N -1 0 410.923 4.376 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)cc1 ZINC000237531932 854050425 /nfs/dbraw/zinc/05/04/25/854050425.db2.gz FLXFPTQSVMGNKX-SPLOXXLWSA-N -1 0 407.445 4.241 20 0 HIADRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)CCC(=O)[O-])cc1C ZINC000237536855 854051373 /nfs/dbraw/zinc/05/13/73/854051373.db2.gz XWJTYBZZPNERQL-SFHVURJKSA-N -1 0 405.498 4.198 20 0 HIADRM C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000237538698 854051604 /nfs/dbraw/zinc/05/16/04/854051604.db2.gz 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858663742 /nfs/dbraw/zinc/66/37/42/858663742.db2.gz NKZQAKIWCVDSLM-UHFFFAOYSA-N -1 0 419.481 4.023 20 0 HIADRM O=C([O-])CCCOc1ccc(CNC(=O)c2ccc(Oc3cccnc3)cc2)cc1 ZINC000431545816 858664366 /nfs/dbraw/zinc/66/43/66/858664366.db2.gz OABWIWROXLBAPP-UHFFFAOYSA-N -1 0 406.438 4.048 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)CC2CCC(C(F)(F)F)CC2)C(=O)[O-])cc1 ZINC000431649726 858711947 /nfs/dbraw/zinc/71/19/47/858711947.db2.gz QLHICNYOHZFTRY-AQFXKWCLSA-N -1 0 415.452 4.204 20 0 HIADRM Cc1oc(CNC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1C(=O)[O-] ZINC000431651927 858713856 /nfs/dbraw/zinc/71/38/56/858713856.db2.gz PVRDSNAALIDPOJ-UHFFFAOYSA-N -1 0 424.482 4.270 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2cccc(-c3ccccn3)c2C)C(=O)[O-])cc1 ZINC000431653461 858715734 /nfs/dbraw/zinc/71/57/34/858715734.db2.gz ATSAEWYQLRVREU-IBGZPJMESA-N -1 0 418.493 4.129 20 0 HIADRM CC(C)c1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000431656043 858716926 /nfs/dbraw/zinc/71/69/26/858716926.db2.gz 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O=C([O-])c1cccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)c1 ZINC000431677594 858733077 /nfs/dbraw/zinc/73/30/77/858733077.db2.gz DRVBZGCPCUHTQO-UHFFFAOYSA-N -1 0 405.179 4.194 20 0 HIADRM Cc1cc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc(C(=O)[O-])c1C ZINC000431680293 858735889 /nfs/dbraw/zinc/73/58/89/858735889.db2.gz TWRBXXMGZWOABT-CQSZACIVSA-N -1 0 421.419 4.271 20 0 HIADRM O=C([O-])CCCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1 ZINC000431770863 858804399 /nfs/dbraw/zinc/80/43/99/858804399.db2.gz GXMRYZBHNWIEEG-UHFFFAOYSA-N -1 0 406.438 4.157 20 0 HIADRM COc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)sc1Br ZINC000431780345 858808467 /nfs/dbraw/zinc/80/84/67/858808467.db2.gz FBFHSTKSHBRAJP-UHFFFAOYSA-N -1 0 414.277 4.015 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000431786331 858810990 /nfs/dbraw/zinc/81/09/90/858810990.db2.gz SIKJZTFFRZOYDM-HNNXBMFYSA-N -1 0 419.359 4.010 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OCc3ccccc3)nc2)cc1 ZINC000431788746 858811674 /nfs/dbraw/zinc/81/16/74/858811674.db2.gz MSFBMHUZLYCSIP-FQEVSTJZSA-N -1 0 422.506 4.328 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000431788943 858811758 /nfs/dbraw/zinc/81/17/58/858811758.db2.gz OVRYLBRREFSTMX-CYBMUJFWSA-N -1 0 406.276 4.435 20 0 HIADRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000431792782 858814508 /nfs/dbraw/zinc/81/45/08/858814508.db2.gz XCGRTCRMQACDSB-CQSZACIVSA-N -1 0 408.926 4.432 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)nn1-c1ccccc1Cl ZINC000431795034 858814960 /nfs/dbraw/zinc/81/49/60/858814960.db2.gz NZFIDVXEQKKSNK-UHFFFAOYSA-N -1 0 413.861 4.330 20 0 HIADRM Cc1cc(-c2cc(C(=O)NC[C@@H](C)CC(=O)[O-])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000431794396 858815022 /nfs/dbraw/zinc/81/50/22/858815022.db2.gz LAUMVNFSGMYZGX-LBPRGKRZSA-N -1 0 414.531 4.198 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1 ZINC000431798881 858816647 /nfs/dbraw/zinc/81/66/47/858816647.db2.gz GTJHODSPCWSBMZ-HNNXBMFYSA-N -1 0 414.527 4.146 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)nn1-c1cccc(Cl)c1 ZINC000431800983 858817463 /nfs/dbraw/zinc/81/74/63/858817463.db2.gz NBKZXMQPTGPBDM-UHFFFAOYSA-N -1 0 413.861 4.330 20 0 HIADRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000431799222 858817563 /nfs/dbraw/zinc/81/75/63/858817563.db2.gz KJOKXKLFLLSLEG-UHFFFAOYSA-N -1 0 420.513 4.397 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccnc(OCc3ccccc3)c2)cc1 ZINC000431799757 858817592 /nfs/dbraw/zinc/81/75/92/858817592.db2.gz MNOCJDXEVWVJOP-FQEVSTJZSA-N -1 0 422.506 4.328 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccc(OC(F)F)cc1 ZINC000431801572 858818309 /nfs/dbraw/zinc/81/83/09/858818309.db2.gz PBIXFKPJYZFYDE-HNNXBMFYSA-N -1 0 417.330 4.339 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)cc1 ZINC000431807880 858821011 /nfs/dbraw/zinc/82/10/11/858821011.db2.gz ICJLUWRJLVVNHE-GOSISDBHSA-N -1 0 423.494 4.282 20 0 HIADRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000431808889 858821964 /nfs/dbraw/zinc/82/19/64/858821964.db2.gz KZFWOAXHANISOC-JTQLQIEISA-N -1 0 405.292 4.166 20 0 HIADRM O=C([O-])COc1ccc(NC(=O)c2ccc(OCc3ccccc3)nc2)cc1Cl ZINC000431810913 858822861 /nfs/dbraw/zinc/82/28/61/858822861.db2.gz IDTRTRXXEHUMQE-UHFFFAOYSA-N -1 0 412.829 4.030 20 0 HIADRM Cc1cc(-c2cc(C(=O)NCC3(C(=O)[O-])CCCCC3)c3c(C)noc3n2)c(C)o1 ZINC000431859841 858843266 /nfs/dbraw/zinc/84/32/66/858843266.db2.gz SSJDUAGYGCRMMM-UHFFFAOYSA-N -1 0 411.458 4.173 20 0 HIADRM CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431870424 858848061 /nfs/dbraw/zinc/84/80/61/858848061.db2.gz IKJCWMYRGRAMSV-OAQYLSRUSA-N -1 0 418.493 4.171 20 0 HIADRM CC(=O)c1cccc(OCCCC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431872616 858849093 /nfs/dbraw/zinc/84/90/93/858849093.db2.gz ZPNQPBJPHDAQPN-QHCPKHFHSA-N -1 0 405.450 4.144 20 0 HIADRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cnn1-c1ccccc1F ZINC000431889144 858857933 /nfs/dbraw/zinc/85/79/33/858857933.db2.gz GRXQHTYWMAIQRF-OAQYLSRUSA-N -1 0 403.413 4.029 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1)C(=O)[O-] ZINC000431980140 858900644 /nfs/dbraw/zinc/90/06/44/858900644.db2.gz IFWLLPDWEODGAY-CYBMUJFWSA-N -1 0 402.288 4.383 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@H](C)CC1CCCCC1)CC2 ZINC000431986586 858905412 /nfs/dbraw/zinc/90/54/12/858905412.db2.gz MIIJMBHKUHMRFX-DNVCBOLYSA-N -1 0 403.519 4.211 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)sc1C(=O)[O-] ZINC000431990864 858909048 /nfs/dbraw/zinc/90/90/48/858909048.db2.gz HRWNKCUTNPVSFA-LBPRGKRZSA-N -1 0 415.519 4.090 20 0 HIADRM O=C([O-])Cc1ccc(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)cc1 ZINC000431995534 858911370 /nfs/dbraw/zinc/91/13/70/858911370.db2.gz MVFZKOIVLZMXMW-UHFFFAOYSA-N -1 0 419.206 4.123 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)ccc21 ZINC000431996398 858913056 /nfs/dbraw/zinc/91/30/56/858913056.db2.gz WJBDPIJZHXMVCK-HNNXBMFYSA-N -1 0 408.498 4.420 20 0 HIADRM CCOc1ccc(-c2nc(CC(=O)NC3(C(=O)[O-])CCCCCC3)cs2)cc1 ZINC000431996965 858913062 /nfs/dbraw/zinc/91/30/62/858913062.db2.gz ZUMQHAOSEVMGKO-UHFFFAOYSA-N -1 0 402.516 4.045 20 0 HIADRM COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)o2)cc1 ZINC000432000261 858914896 /nfs/dbraw/zinc/91/48/96/858914896.db2.gz MQDQSVSJOUBFGX-OAHLLOKOSA-N -1 0 408.454 4.185 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)cc1)C(=O)[O-] ZINC000432002933 858917755 /nfs/dbraw/zinc/91/77/55/858917755.db2.gz NGKFBIUQIUDQHV-VXGBXAGGSA-N -1 0 424.266 4.257 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000432002029 858917778 /nfs/dbraw/zinc/91/77/78/858917778.db2.gz IWGNLISCUOJJAD-PJSAGSTRSA-N -1 0 402.288 4.455 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2 ZINC000432005683 858919721 /nfs/dbraw/zinc/91/97/21/858919721.db2.gz GPWZYWMEESNFDU-QXOCSCLMSA-N -1 0 415.530 4.211 20 0 HIADRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000432064454 858961762 /nfs/dbraw/zinc/96/17/62/858961762.db2.gz VSHDLNGWOLOXCJ-UHFFFAOYSA-N -1 0 401.406 4.334 20 0 HIADRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cn1 ZINC000432075988 858971105 /nfs/dbraw/zinc/97/11/05/858971105.db2.gz KHMWKDZIKKZKCY-VIFPVBQESA-N -1 0 404.717 4.071 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000432090848 858982849 /nfs/dbraw/zinc/98/28/49/858982849.db2.gz STKUKCGFLUCOJM-CQSZACIVSA-N -1 0 412.536 4.348 20 0 HIADRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)C1 ZINC000432101596 858990094 /nfs/dbraw/zinc/99/00/94/858990094.db2.gz BWIDZOPTMFRUMM-ZIAGYGMSSA-N -1 0 400.862 4.422 20 0 HIADRM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)nn1-c1ccccc1Cl ZINC000432106310 858994133 /nfs/dbraw/zinc/99/41/33/858994133.db2.gz IGOAURHVVJZFAV-KRWDZBQOSA-N -1 0 411.889 4.040 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432116739 858999420 /nfs/dbraw/zinc/99/94/20/858999420.db2.gz NBROORQPHDPIMS-APPDUMDISA-N -1 0 400.422 4.387 20 0 HIADRM COCc1c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)sc2cccc(F)c21 ZINC000432116262 858999507 /nfs/dbraw/zinc/99/95/07/858999507.db2.gz KTBFBKXOCGOSKF-HNNXBMFYSA-N -1 0 415.486 4.393 20 0 HIADRM CCOc1cc(C(=O)Nc2ccc(Oc3cccnc3)c(C)c2)ccc1OCC(=O)[O-] ZINC000432117495 859000907 /nfs/dbraw/zinc/00/09/07/859000907.db2.gz UBCFCXYQRCCHAP-UHFFFAOYSA-N -1 0 422.437 4.297 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000432121575 859001603 /nfs/dbraw/zinc/00/16/03/859001603.db2.gz GZUZCNUNSOXJAP-CEXWTWQISA-N -1 0 416.315 4.145 20 0 HIADRM O=C([O-])c1cccc(CC(=O)N2CCCCC[C@@H]2c2noc(-c3ccccc3)n2)c1 ZINC000432126452 859005065 /nfs/dbraw/zinc/00/50/65/859005065.db2.gz MDWOSHXFOMUOFM-LJQANCHMSA-N -1 0 405.454 4.121 20 0 HIADRM COc1ccc(CN(C(=O)c2cccc(C(=O)[O-])n2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000432134489 859009348 /nfs/dbraw/zinc/00/93/48/859009348.db2.gz UKBMOOWAMXRKIK-HNAYVOBHSA-N -1 0 412.486 4.018 20 0 HIADRM O=C([O-])c1ccccc1CC(=O)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000432135883 859010206 /nfs/dbraw/zinc/01/02/06/859010206.db2.gz MWGXKGBUKHCBMQ-UHFFFAOYSA-N -1 0 411.502 4.334 20 0 HIADRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])c1 ZINC000432140261 859012254 /nfs/dbraw/zinc/01/22/54/859012254.db2.gz PJYBZVAHVLLIMT-BTYIYWSLSA-N -1 0 408.926 4.478 20 0 HIADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)oc1C ZINC000432185260 859036285 /nfs/dbraw/zinc/03/62/85/859036285.db2.gz KCOILXLADQRVGQ-UHFFFAOYSA-N -1 0 407.488 4.025 20 0 HIADRM O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432196902 859041596 /nfs/dbraw/zinc/04/15/96/859041596.db2.gz UADOMNWCVROOBL-UHFFFAOYSA-N -1 0 421.931 4.275 20 0 HIADRM O=S(=O)([N-]c1ccn(CCc2ccncc2)n1)c1csc2ccc(Cl)cc21 ZINC000432200113 859043110 /nfs/dbraw/zinc/04/31/10/859043110.db2.gz DZBYMUDMUUCEEF-UHFFFAOYSA-N -1 0 418.931 4.190 20 0 HIADRM CN(C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432206148 859045932 /nfs/dbraw/zinc/04/59/32/859045932.db2.gz FGCOUDJQCOGENL-UHFFFAOYSA-N -1 0 409.920 4.449 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)n(Cc2ccccn2)n1 ZINC000432349712 859114594 /nfs/dbraw/zinc/11/45/94/859114594.db2.gz AHHPVHSAKMNOBV-UHFFFAOYSA-N -1 0 411.314 4.051 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n(Cc2ccccn2)n1 ZINC000432384593 859137008 /nfs/dbraw/zinc/13/70/08/859137008.db2.gz CCBJLFAPKAOKHD-UHFFFAOYSA-N -1 0 410.543 4.483 20 0 HIADRM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1Br ZINC000432485362 859188361 /nfs/dbraw/zinc/18/83/61/859188361.db2.gz ZTOYHQIAULICDB-UHFFFAOYSA-N -1 0 420.288 4.177 20 0 HIADRM O=S(=O)([N-]c1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1C(F)(F)F ZINC000432486563 859188531 /nfs/dbraw/zinc/18/85/31/859188531.db2.gz WXEIFUHKLOEOJW-UHFFFAOYSA-N -1 0 409.389 4.434 20 0 HIADRM CC(=O)c1cccc(S(=O)(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)c1 ZINC000432528685 859210388 /nfs/dbraw/zinc/21/03/88/859210388.db2.gz APLWRUSPBZWXCG-SFHVURJKSA-N -1 0 413.524 4.010 20 0 HIADRM O=S(=O)([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1ccc2ncccc2c1 ZINC000432532541 859212986 /nfs/dbraw/zinc/21/29/86/859212986.db2.gz UDYLEPAIQJWEAZ-SFHVURJKSA-N -1 0 422.535 4.355 20 0 HIADRM CCCc1c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cnn1-c1ccc(C)cc1 ZINC000432566479 859230335 /nfs/dbraw/zinc/23/03/35/859230335.db2.gz DRXLSYKMEYZKEO-UHFFFAOYSA-N -1 0 413.481 4.340 20 0 HIADRM COc1cc(C)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000432692297 859297062 /nfs/dbraw/zinc/29/70/62/859297062.db2.gz HMWXFTWHMMOZRL-HNNXBMFYSA-N -1 0 405.516 4.191 20 0 HIADRM O=S(=O)([N-][C@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)s1 ZINC000432951866 859444836 /nfs/dbraw/zinc/44/48/36/859444836.db2.gz XACBASUPDOAZDH-LLVKDONJSA-N -1 0 418.231 4.074 20 0 HIADRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)c2ccccc12 ZINC000432956447 859447216 /nfs/dbraw/zinc/44/72/16/859447216.db2.gz SLZQQBYAOSTRAH-UHFFFAOYSA-N -1 0 413.499 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943562168 /nfs/dbraw/zinc/56/21/68/943562168.db2.gz OGFGTMKMJJDCIV-JTNHKYCSSA-N -1 0 414.453 4.301 20 0 HIADRM Cc1csc(-c2cccc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)[O-])c2)n1 ZINC000558580237 943607572 /nfs/dbraw/zinc/60/75/72/943607572.db2.gz JEKDZOSANNSJCG-UHFFFAOYSA-N -1 0 408.888 4.271 20 0 HIADRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2Sc2nccn2C)c1 ZINC000558586236 943609304 /nfs/dbraw/zinc/60/93/04/943609304.db2.gz HCMRVKIJNCXXNJ-UHFFFAOYSA-N -1 0 423.947 4.172 20 0 HIADRM C[C@@]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)(C1CC1)C(F)(F)F ZINC000558596761 943613266 /nfs/dbraw/zinc/61/32/66/943613266.db2.gz YWKFLHYIPDCKKX-LLVKDONJSA-N -1 0 406.651 4.112 20 0 HIADRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000558686250 943628662 /nfs/dbraw/zinc/62/86/62/943628662.db2.gz ZBPDNXNPHWDGNV-UHFFFAOYSA-N -1 0 401.406 4.222 20 0 HIADRM CC(=C([O-])c1ccc(NC(=O)C(C)(C)C)cc1)S(=O)(=O)c1cc(F)c(C)cc1F ZINC000558871261 943711777 /nfs/dbraw/zinc/71/17/77/943711777.db2.gz IHQARHQSLJLWTD-CYBMUJFWSA-N -1 0 423.481 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ZINC000236974019 853945379 /nfs/dbraw/zinc/94/53/79/853945379.db2.gz GOVDXGCKWKFPIJ-KKSFZXQISA-N -1 0 408.498 4.071 20 0 HIADRM CC[C@H](C)[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1ccccc1 ZINC000236985162 853947455 /nfs/dbraw/zinc/94/74/55/853947455.db2.gz RTQVYSDAEFKLKG-JTSKRJEESA-N -1 0 422.525 4.392 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])s2)cc1 ZINC000236986915 853947608 /nfs/dbraw/zinc/94/76/08/853947608.db2.gz KKTISWSMTILNNP-IBGZPJMESA-N -1 0 422.506 4.169 20 0 HIADRM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000237021291 853952561 /nfs/dbraw/zinc/95/25/61/853952561.db2.gz HNULBYRGCFXKEN-HNNXBMFYSA-N -1 0 420.303 4.041 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2cccc(-c3csc(C)n3)c2)C(=O)[O-])cc1 ZINC000237036210 853954665 /nfs/dbraw/zinc/95/46/65/853954665.db2.gz ZZYRKWXMGXSTDW-IBGZPJMESA-N -1 0 424.522 4.191 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)CCCC(=O)[O-])cc12 ZINC000237039855 853955438 /nfs/dbraw/zinc/95/54/38/853955438.db2.gz 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COc1ccccc1C[C@@H](CNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237215129 853984195 /nfs/dbraw/zinc/98/41/95/853984195.db2.gz NRJFBVQYBJUNSO-PBHICJAKSA-N -1 0 423.431 4.267 20 0 HIADRM CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)C1(C(=O)[O-])CC1 ZINC000237233001 853987699 /nfs/dbraw/zinc/98/76/99/853987699.db2.gz OJJNGVIJSRSMNX-UHFFFAOYSA-N -1 0 423.900 4.075 20 0 HIADRM COc1cc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)ccc1C ZINC000237273044 853995402 /nfs/dbraw/zinc/99/54/02/853995402.db2.gz KECJFCJSVPFZHX-UHFFFAOYSA-N -1 0 419.359 4.159 20 0 HIADRM COc1cccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000237304592 854002912 /nfs/dbraw/zinc/00/29/12/854002912.db2.gz WGCRHNLSQWMGBA-SCLBCKFNSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])s2)c2c[nH]c3ccccc32)cc1 ZINC000237321274 854006021 /nfs/dbraw/zinc/00/60/21/854006021.db2.gz HBIAEOBRBJTDMY-QGZVFWFLSA-N -1 0 420.490 4.498 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000237325584 854006587 /nfs/dbraw/zinc/00/65/87/854006587.db2.gz SJGIMRKAUQUCGV-LBPRGKRZSA-N -1 0 424.266 4.177 20 0 HIADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000237342567 854009331 /nfs/dbraw/zinc/00/93/31/854009331.db2.gz XQGHIPADDYUNEG-GFCCVEGCSA-N -1 0 408.907 4.130 20 0 HIADRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237349892 854010828 /nfs/dbraw/zinc/01/08/28/854010828.db2.gz OLLUKQFCROFFKR-CHWSQXEVSA-N -1 0 400.338 4.033 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccc(Br)cc2)cc1 ZINC000237356877 854012442 /nfs/dbraw/zinc/01/24/42/854012442.db2.gz MEPJQQNFKSKVRW-KRWDZBQOSA-N -1 0 422.344 4.436 20 0 HIADRM C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237365415 854015734 /nfs/dbraw/zinc/01/57/34/854015734.db2.gz IKYZEYMXYRJKNM-GFCCVEGCSA-N -1 0 415.371 4.181 20 0 HIADRM CSCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237387195 854019429 /nfs/dbraw/zinc/01/94/29/854019429.db2.gz 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COc1ccc(-c2ccc(C(=O)N[C@H](C)c3nc(C)c(C(=O)[O-])s3)c(F)c2)cc1 ZINC000237418188 854028331 /nfs/dbraw/zinc/02/83/31/854028331.db2.gz GWWGQCZULXMMKJ-GFCCVEGCSA-N -1 0 414.458 4.455 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 ZINC000237423597 854029701 /nfs/dbraw/zinc/02/97/01/854029701.db2.gz LDWKIKNHFYIWRZ-KRWDZBQOSA-N -1 0 415.540 4.218 20 0 HIADRM C[C@@H](CN(C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)C1CC1)C(=O)[O-] ZINC000237436322 854033415 /nfs/dbraw/zinc/03/34/15/854033415.db2.gz APUNGSLCTQQDCZ-NSHDSACASA-N -1 0 411.285 4.293 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc3cc(Br)ccc3o2)sc1C(=O)[O-] ZINC000237473642 854041345 /nfs/dbraw/zinc/04/13/45/854041345.db2.gz QEGPCBGBIIWZCB-QMMMGPOBSA-N -1 0 409.261 4.149 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000237481449 854042032 /nfs/dbraw/zinc/04/20/32/854042032.db2.gz XTNBYHCLQXADFB-HNNXBMFYSA-N -1 0 404.304 4.131 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000237485429 854043327 /nfs/dbraw/zinc/04/33/27/854043327.db2.gz CYELZXDWNDZMBL-AWEZNQCLSA-N -1 0 416.437 4.025 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237490339 854044486 /nfs/dbraw/zinc/04/44/86/854044486.db2.gz UQAKESOXXRLNKJ-LLVKDONJSA-N -1 0 410.239 4.011 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccc1 ZINC000237498163 854045280 /nfs/dbraw/zinc/04/52/80/854045280.db2.gz XBARBMNCIXEZKP-IFXJQAMLSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2csc(-c3cccc(Cl)c3)n2)sc1C(=O)[O-] ZINC000237499984 854046162 /nfs/dbraw/zinc/04/61/62/854046162.db2.gz HCCSTFJZMHGIAQ-VIFPVBQESA-N -1 0 407.904 4.418 20 0 HIADRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237507309 854047546 /nfs/dbraw/zinc/04/75/46/854047546.db2.gz GDRDEFPOUNYCGM-GOSISDBHSA-N -1 0 409.526 4.396 20 0 HIADRM C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000237514692 854048367 /nfs/dbraw/zinc/04/83/67/854048367.db2.gz JFIICDVQMAURIQ-CQSZACIVSA-N -1 0 406.413 4.267 20 0 HIADRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237538981 854051084 /nfs/dbraw/zinc/05/10/84/854051084.db2.gz GRQAEPPMDWJJEO-LRDDRELGSA-N -1 0 409.408 4.240 20 0 HIADRM C[C@H](Cc1cccc(Br)c1)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237537962 854051446 /nfs/dbraw/zinc/05/14/46/854051446.db2.gz WSQGJBFPZDIHRC-CHWSQXEVSA-N -1 0 422.344 4.375 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N1CCc2c(Br)cccc2C1)C(=O)[O-] ZINC000237551761 854053406 /nfs/dbraw/zinc/05/34/06/854053406.db2.gz JHOFULQXGDIRLY-LBPRGKRZSA-N -1 0 420.328 4.213 20 0 HIADRM C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237569367 854056015 /nfs/dbraw/zinc/05/60/15/854056015.db2.gz LQYIZMLNHAJGTR-SJCJKPOMSA-N -1 0 402.903 4.114 20 0 HIADRM Cc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000237580397 854058341 /nfs/dbraw/zinc/05/83/41/854058341.db2.gz WBGAQFVFNKOLJB-UHFFFAOYSA-N -1 0 413.474 4.280 20 0 HIADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1)C1CCCCC1 ZINC000237581812 854058498 /nfs/dbraw/zinc/05/84/98/854058498.db2.gz VUKPUBNRUOFVFO-QHCPKHFHSA-N -1 0 410.518 4.281 20 0 HIADRM C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000237596404 854059551 /nfs/dbraw/zinc/05/95/51/854059551.db2.gz JFIICDVQMAURIQ-AWEZNQCLSA-N -1 0 406.413 4.267 20 0 HIADRM Cc1c(C(=O)Nc2ccccc2CC(=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1 ZINC000237584051 854059691 /nfs/dbraw/zinc/05/96/91/854059691.db2.gz IJFZIYCZTOUYLR-UHFFFAOYSA-N -1 0 412.449 4.122 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000237616623 854062955 /nfs/dbraw/zinc/06/29/55/854062955.db2.gz DLDYHHJEFQJNFK-GOSISDBHSA-N -1 0 417.387 4.145 20 0 HIADRM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCCCCCCC(=O)[O-] ZINC000237622493 854063725 /nfs/dbraw/zinc/06/37/25/854063725.db2.gz ZUCTVGCEPNWRLN-NSHDSACASA-N -1 0 406.704 4.021 20 0 HIADRM Cc1noc(C)c1[C@H](C)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000237632424 854066090 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853927923 /nfs/dbraw/zinc/92/79/23/853927923.db2.gz DQJULHMNAFYMMD-UHFFFAOYSA-N -1 0 400.519 4.313 20 0 HIADRM CCN(C)C(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000236864647 853929998 /nfs/dbraw/zinc/92/99/98/853929998.db2.gz HVCLRAQVHCMFPS-FQEVSTJZSA-N -1 0 410.514 4.022 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC000236859929 853930259 /nfs/dbraw/zinc/93/02/59/853930259.db2.gz SDVMGZKGFMRZQG-LLVKDONJSA-N -1 0 413.337 4.266 20 0 HIADRM CCC(CC)(C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000236874374 853931225 /nfs/dbraw/zinc/93/12/25/853931225.db2.gz PGGCFDTUEYKQFS-UHFFFAOYSA-N -1 0 416.905 4.241 20 0 HIADRM CCO[C@H](C)c1nc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cs1 ZINC000236921375 853938249 /nfs/dbraw/zinc/93/82/49/853938249.db2.gz MSHYNCYPMHTWAC-RDTXWAMCSA-N -1 0 418.559 4.413 20 0 HIADRM CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC000236957479 853942623 /nfs/dbraw/zinc/94/26/23/853942623.db2.gz 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CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237048713 853956443 /nfs/dbraw/zinc/95/64/43/853956443.db2.gz ONWCQTMWNQBTML-JLTOFOAXSA-N -1 0 416.905 4.140 20 0 HIADRM CCOc1ccc(C[C@H](CNC(=O)c2cccc(-c3nc(C)cs3)c2)C(=O)[O-])cc1 ZINC000237046795 853956575 /nfs/dbraw/zinc/95/65/75/853956575.db2.gz LNHJSCVDZBTDRT-LJQANCHMSA-N -1 0 424.522 4.191 20 0 HIADRM CCOc1ccc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000237056582 853957700 /nfs/dbraw/zinc/95/77/00/853957700.db2.gz QNUFHJHCGDBLCE-UHFFFAOYSA-N -1 0 419.359 4.240 20 0 HIADRM Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237063460 853958777 /nfs/dbraw/zinc/95/87/77/853958777.db2.gz CYDSCAVPKYLQBA-UHFFFAOYSA-N -1 0 415.852 4.003 20 0 HIADRM Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1NC(=O)c1ccccc1F ZINC000237067222 853959743 /nfs/dbraw/zinc/95/97/43/853959743.db2.gz MSPFHVCWRZBYEO-UHFFFAOYSA-N -1 0 420.440 4.357 20 0 HIADRM COc1ccccc1C[C@@H](C)N(Cc1ccccc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237200598 853980833 /nfs/dbraw/zinc/98/08/33/853980833.db2.gz ZMKBZJDUZMCTMG-QGZVFWFLSA-N -1 0 404.466 4.062 20 0 HIADRM COc1ccc(C)cc1NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000237205498 853981970 /nfs/dbraw/zinc/98/19/70/853981970.db2.gz YBMNIONXZGKDJP-UHFFFAOYSA-N -1 0 407.470 4.076 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000237241717 853988831 /nfs/dbraw/zinc/98/88/31/853988831.db2.gz OSUGOCVMJWEKJO-ZDUSSCGKSA-N -1 0 403.887 4.237 20 0 HIADRM COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237286787 853998178 /nfs/dbraw/zinc/99/81/78/853998178.db2.gz AEOXXNBSQFQJIR-NSHDSACASA-N -1 0 419.890 4.093 20 0 HIADRM COc1cccc([C@H](C)CC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237309850 854004017 /nfs/dbraw/zinc/00/40/17/854004017.db2.gz FZAZNBQKWBBFRN-VGSWGCGISA-N -1 0 405.494 4.402 20 0 HIADRM COc1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000237316941 854005572 /nfs/dbraw/zinc/00/55/72/854005572.db2.gz XKIPRBHYCWCICF-UHFFFAOYSA-N -1 0 416.886 4.029 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)sc1C(=O)[O-] ZINC000237335146 854008335 /nfs/dbraw/zinc/00/83/35/854008335.db2.gz MGZDHYOGVOQXRT-MRVPVSSYSA-N -1 0 413.377 4.021 20 0 HIADRM COc1cccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3cccc(Br)c3)oc21 ZINC000237353780 854011868 /nfs/dbraw/zinc/01/18/68/854011868.db2.gz RUJYBEPUYSHAGZ-AWEZNQCLSA-N -1 0 418.243 4.150 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1 ZINC000237365391 854015623 /nfs/dbraw/zinc/01/56/23/854015623.db2.gz CNAOGGNLPHUZBF-IIBYNOLFSA-N -1 0 403.482 4.145 20 0 HIADRM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237364754 854015775 /nfs/dbraw/zinc/01/57/75/854015775.db2.gz GRQAEPPMDWJJEO-WBMJQRKESA-N -1 0 409.408 4.240 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1Br)C(=O)[O-] ZINC000237366880 854015794 /nfs/dbraw/zinc/01/57/94/854015794.db2.gz NBCINDHRPAUCDF-GFCCVEGCSA-N -1 0 408.317 4.287 20 0 HIADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237394711 854021221 /nfs/dbraw/zinc/02/12/21/854021221.db2.gz YPIUPJWXCCFHRC-DYVFJYSZSA-N -1 0 412.324 4.209 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2csc(-c3cccs3)n2)cc1 ZINC000237409864 854026568 /nfs/dbraw/zinc/02/65/68/854026568.db2.gz LGMBELALKNQFBR-OAHLLOKOSA-N -1 0 418.565 4.468 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1 ZINC000237416169 854027422 /nfs/dbraw/zinc/02/74/22/854027422.db2.gz ZTNDHAIMAYBEDQ-GOSISDBHSA-N -1 0 415.902 4.193 20 0 HIADRM C[C@H](CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237432250 854032584 /nfs/dbraw/zinc/03/25/84/854032584.db2.gz WPJIKEIBABBGOV-CYBMUJFWSA-N -1 0 422.403 4.042 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000237434981 854032864 /nfs/dbraw/zinc/03/28/64/854032864.db2.gz USVXUOLGQKDCIG-RKDXNWHRSA-N -1 0 403.287 4.101 20 0 HIADRM C[C@@H](C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccc(Br)s1 ZINC000237458884 854036816 /nfs/dbraw/zinc/03/68/16/854036816.db2.gz FNOJMDCFDWURRJ-CYBMUJFWSA-N -1 0 422.344 4.259 20 0 HIADRM C[C@@H](CN(C(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000237460111 854037251 /nfs/dbraw/zinc/03/72/51/854037251.db2.gz MLZWXUIYUNNZFF-FWYAXHSGSA-N -1 0 409.326 4.449 20 0 HIADRM C[C@H](CCOc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237478877 854042246 /nfs/dbraw/zinc/04/22/46/854042246.db2.gz LXWWUTJASDLGMG-RDTXWAMCSA-N -1 0 420.303 4.186 20 0 HIADRM COc1ccc2oc([C@H](C)NC(=O)CC3(C(=O)[O-])Cc4ccccc4C3)c(C)c2c1 ZINC000237486345 854042910 /nfs/dbraw/zinc/04/29/10/854042910.db2.gz SKCMMVGXVCWTSK-HNNXBMFYSA-N -1 0 407.466 4.187 20 0 HIADRM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)cc2)n1 ZINC000237498973 854045245 /nfs/dbraw/zinc/04/52/45/854045245.db2.gz YFEQBVQINQKYOM-GOSISDBHSA-N -1 0 421.497 4.060 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)sc1C(=O)[O-] ZINC000237509077 854047072 /nfs/dbraw/zinc/04/70/72/854047072.db2.gz LZHVXNCKSCAYHY-ZDUSSCGKSA-N -1 0 420.494 4.288 20 0 HIADRM COc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000237531432 854050270 /nfs/dbraw/zinc/05/02/70/854050270.db2.gz YQORPLIVZHIRQP-HOTGVXAUSA-N -1 0 422.506 4.369 20 0 HIADRM C[C@@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000237537395 854051457 /nfs/dbraw/zinc/05/14/57/854051457.db2.gz OSDAFQOLAMBJMV-ORAYPTAESA-N -1 0 418.415 4.492 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000237541015 854051533 /nfs/dbraw/zinc/05/15/33/854051533.db2.gz QZRUGHOTQQYXCS-JTQLQIEISA-N -1 0 412.870 4.084 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 ZINC000237539543 854051565 /nfs/dbraw/zinc/05/15/65/854051565.db2.gz LYDJKMCRSADVCR-KPZWWZAWSA-N -1 0 418.280 4.371 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000237543419 854052636 /nfs/dbraw/zinc/05/26/36/854052636.db2.gz BLGNGWCVLHBAPL-MWLCHTKSSA-N -1 0 400.422 4.225 20 0 HIADRM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237548110 854052970 /nfs/dbraw/zinc/05/29/70/854052970.db2.gz CTJZKVKNHZADIH-OAHLLOKOSA-N -1 0 421.415 4.118 20 0 HIADRM C[C@H](Cc1ccccc1Br)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000237553968 854053071 /nfs/dbraw/zinc/05/30/71/854053071.db2.gz XTJLYEJQLQFRNV-CHWSQXEVSA-N -1 0 422.344 4.375 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1Br)C(=O)[O-] ZINC000237549305 854053641 /nfs/dbraw/zinc/05/36/41/854053641.db2.gz NBCINDHRPAUCDF-LBPRGKRZSA-N -1 0 408.317 4.287 20 0 HIADRM C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237559392 854054457 /nfs/dbraw/zinc/05/44/57/854054457.db2.gz MSZNAFDTFUSNKG-BMIGLBTASA-N -1 0 400.233 4.232 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000237571732 854056050 /nfs/dbraw/zinc/05/60/50/854056050.db2.gz HYDKWUYDBHVTGS-UHFFFAOYSA-N -1 0 414.259 4.202 20 0 HIADRM C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000237569834 854056572 /nfs/dbraw/zinc/05/65/72/854056572.db2.gz DOOXRAWXUAGIND-NHYWBVRUSA-N -1 0 409.891 4.108 20 0 HIADRM C[C@@H](CCOc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237578327 854057083 /nfs/dbraw/zinc/05/70/83/854057083.db2.gz CMMUBQYJFMDGHN-KBXCAEBGSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000237583138 854058327 /nfs/dbraw/zinc/05/83/27/854058327.db2.gz HGAVMYZPTCOGAA-SNVBAGLBSA-N -1 0 401.875 4.356 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCOc1ccccc1Br)c1ccccc1 ZINC000237604731 854060772 /nfs/dbraw/zinc/06/07/72/854060772.db2.gz HIGHJEBLWXLTHY-LIRRHRJNSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)[C@@H](C)c3cccs3)cc2)c(C)c1CCC(=O)[O-] ZINC000237607321 854061550 /nfs/dbraw/zinc/06/15/50/854061550.db2.gz KMTSAFFPDZBQDH-INIZCTEOSA-N -1 0 411.527 4.401 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccccc1C(=O)N1CCCCC1)C1CCCCC1 ZINC000237615843 854062650 /nfs/dbraw/zinc/06/26/50/854062650.db2.gz GOSIMEAJTGYKDV-HSZRJFAPSA-N -1 0 400.519 4.313 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237614537 854062862 /nfs/dbraw/zinc/06/28/62/854062862.db2.gz CMNKOQMAHXAXFV-QGZVFWFLSA-N -1 0 417.387 4.145 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000237616586 854063056 /nfs/dbraw/zinc/06/30/56/854063056.db2.gz DTPJBRPGXAXSBV-IUCAKERBSA-N -1 0 403.287 4.101 20 0 HIADRM Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000237635511 854066015 /nfs/dbraw/zinc/06/60/15/854066015.db2.gz XNEYBLSEFNZESP-ZWKOTPCHSA-N -1 0 408.454 4.007 20 0 HIADRM Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237651289 854068608 /nfs/dbraw/zinc/06/86/08/854068608.db2.gz YIOVQSQMPDQIIM-MRXNPFEDSA-N -1 0 402.516 4.301 20 0 HIADRM Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237653046 854068690 /nfs/dbraw/zinc/06/86/90/854068690.db2.gz LNTSPDWYNCGYTJ-SFHVURJKSA-N -1 0 424.522 4.257 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCOc1ccccc1Br)c1ccccc1 ZINC000237655133 854069098 /nfs/dbraw/zinc/06/90/98/854069098.db2.gz HIGHJEBLWXLTHY-AUUYWEPGSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1oc(-c2cccs2)nc1CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237662245 854070827 /nfs/dbraw/zinc/07/08/27/854070827.db2.gz RNDQHMQXFDBRRY-UHFFFAOYSA-N -1 0 420.437 4.036 20 0 HIADRM Cc1oc(-c2ccco2)nc1CC(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000237661087 854070929 /nfs/dbraw/zinc/07/09/29/854070929.db2.gz SXVWTZLTLUBHPO-UHFFFAOYSA-N -1 0 400.456 4.132 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCCCc3cccc(F)c3)cc2)c(C)c1CCC(=O)[O-] ZINC000237663452 854071171 /nfs/dbraw/zinc/07/11/71/854071171.db2.gz HZVKRTNMBNAENT-UHFFFAOYSA-N -1 0 423.488 4.008 20 0 HIADRM C[C@H]1CN(c2ccc(NC(=O)CC3(CC(=O)[O-])CCCCC3)cc2F)C[C@H](C)O1 ZINC000237668561 854071758 /nfs/dbraw/zinc/07/17/58/854071758.db2.gz KWLBGYDJUCYEPN-HOTGVXAUSA-N -1 0 406.498 4.193 20 0 HIADRM Cc1nn(-c2ccc(C(=O)Nc3cc(F)c(F)cc3F)cc2)c(C)c1CCC(=O)[O-] ZINC000237671085 854072794 /nfs/dbraw/zinc/07/27/94/854072794.db2.gz ZCRIKEDKXSHFRN-UHFFFAOYSA-N -1 0 417.387 4.176 20 0 HIADRM Cc1occc1C(=O)Nc1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1F ZINC000237675682 854073380 /nfs/dbraw/zinc/07/33/80/854073380.db2.gz GFMZAFHGXNHFLD-UHFFFAOYSA-N -1 0 410.401 4.249 20 0 HIADRM Cc1nc(-c2ccc(C(=O)N[C@H](CC(=O)[O-])c3ccc(C(C)(C)C)cc3)cc2)n[nH]1 ZINC000237678512 854073882 /nfs/dbraw/zinc/07/38/82/854073882.db2.gz VZTPGYMQKZLSDN-LJQANCHMSA-N -1 0 406.486 4.023 20 0 HIADRM Cc1sc(-c2ccco2)nc1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000237713875 854081905 /nfs/dbraw/zinc/08/19/05/854081905.db2.gz KXFYNGIPUCXHDX-UHFFFAOYSA-N -1 0 424.400 4.457 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)cc1 ZINC000237722316 854082596 /nfs/dbraw/zinc/08/25/96/854082596.db2.gz HDRQENIBQNQIDJ-UHFFFAOYSA-N -1 0 401.369 4.041 20 0 HIADRM Cc1ccccc1CCC(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1 ZINC000237723437 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420.465 4.020 20 0 HIADRM CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(F)cc3)c21 ZINC000431214262 858508219 /nfs/dbraw/zinc/50/82/19/858508219.db2.gz RYKKGBYQIDXGCC-KRWDZBQOSA-N -1 0 411.433 4.309 20 0 HIADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccccc3OC(F)F)s2)c(C)c1 ZINC000431318882 858561860 /nfs/dbraw/zinc/56/18/60/858561860.db2.gz MIJWKVOSKPOFAT-UHFFFAOYSA-N -1 0 411.455 4.224 20 0 HIADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc4cc(C)cnc43)s2)c(C)c1 ZINC000431322411 858564431 /nfs/dbraw/zinc/56/44/31/858564431.db2.gz WSMONFWXGCRSOS-UHFFFAOYSA-N -1 0 410.524 4.479 20 0 HIADRM Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)cc1 ZINC000431321713 858564577 /nfs/dbraw/zinc/56/45/77/858564577.db2.gz FLMXXYAWHXTPLQ-UHFFFAOYSA-N -1 0 410.318 4.077 20 0 HIADRM O=S(=O)([N-]c1nnc(SCc2ccccc2)s1)c1ccc(F)cc1Cl ZINC000431342259 858572492 /nfs/dbraw/zinc/57/24/92/858572492.db2.gz RWXCXMWUMJPKSS-UHFFFAOYSA-N -1 0 415.924 4.424 20 0 HIADRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000431342657 858572713 /nfs/dbraw/zinc/57/27/13/858572713.db2.gz VHVIQONSURSZKE-MRVPVSSYSA-N -1 0 403.788 4.156 20 0 HIADRM O=C([O-])CC1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000431352893 858575716 /nfs/dbraw/zinc/57/57/16/858575716.db2.gz QRZSKGHIXBDUPP-UHFFFAOYSA-N -1 0 408.376 4.220 20 0 HIADRM C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1)c1ccc(Cl)s1 ZINC000431432602 858611739 /nfs/dbraw/zinc/61/17/39/858611739.db2.gz JUKNQNSYSLDEBC-AMIZOPFISA-N -1 0 402.697 4.210 20 0 HIADRM COc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1OC1CCCC1 ZINC000431442880 858617873 /nfs/dbraw/zinc/61/78/73/858617873.db2.gz FHFKFNNCCFKVOU-QGZVFWFLSA-N -1 0 411.498 4.380 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000431448466 858620653 /nfs/dbraw/zinc/62/06/53/858620653.db2.gz LGLMXRLOUHOJBQ-CQSZACIVSA-N -1 0 420.412 4.275 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(C2CC2)nc2ccc(C)cc21 ZINC000431448690 858621586 /nfs/dbraw/zinc/62/15/86/858621586.db2.gz ZHFCTQONJBTPFW-UHFFFAOYSA-N -1 0 422.481 4.391 20 0 HIADRM CC[C@](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)(C(=O)[O-])c1ccccc1 ZINC000431450379 858622488 /nfs/dbraw/zinc/62/24/88/858622488.db2.gz UBUWAGQEXNGOJM-HSZRJFAPSA-N -1 0 406.486 4.010 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N([C@H](C)C(=O)[O-])C3CC3)cc12 ZINC000431453075 858623759 /nfs/dbraw/zinc/62/37/59/858623759.db2.gz ZSPZSNPKAORROT-LLVKDONJSA-N -1 0 403.891 4.127 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)cc12 ZINC000431453076 858623891 /nfs/dbraw/zinc/62/38/91/858623891.db2.gz ZSPZSNPKAORROT-NSHDSACASA-N -1 0 403.891 4.127 20 0 HIADRM CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)s1 ZINC000431463137 858628538 /nfs/dbraw/zinc/62/85/38/858628538.db2.gz GAZSCNROGSYCCD-BBRMVZONSA-N -1 0 404.532 4.402 20 0 HIADRM Cc1cccc(-c2cncc(C(=O)N(CCC(=O)[O-])Cc3cccc(F)c3F)c2)c1 ZINC000431467375 858630305 /nfs/dbraw/zinc/63/03/05/858630305.db2.gz YBCAOLGDRDMGEB-UHFFFAOYSA-N -1 0 410.420 4.452 20 0 HIADRM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)CC1 ZINC000431506512 858648088 /nfs/dbraw/zinc/64/80/88/858648088.db2.gz NWYOWDHHFCDADU-QAQDUYKDSA-N -1 0 400.519 4.024 20 0 HIADRM Cc1ccc(SC2CCCC2)c(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)c1 ZINC000431516383 858652420 /nfs/dbraw/zinc/65/24/20/858652420.db2.gz BKDSGZQAQUMDHG-UHFFFAOYSA-N -1 0 413.539 4.466 20 0 HIADRM CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000431526608 858657219 /nfs/dbraw/zinc/65/72/19/858657219.db2.gz UZCJVJHHFNSWMI-SFHVURJKSA-N -1 0 424.884 4.125 20 0 HIADRM CCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000431529246 858657862 /nfs/dbraw/zinc/65/78/62/858657862.db2.gz CIXPVTVIRJAGKP-UHFFFAOYSA-N -1 0 418.496 4.004 20 0 HIADRM Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000431534896 858660498 /nfs/dbraw/zinc/66/04/98/858660498.db2.gz CATCUKKZPBLGRA-HXUWFJFHSA-N -1 0 414.461 4.477 20 0 HIADRM Cc1c(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000431654934 858715529 /nfs/dbraw/zinc/71/55/29/858715529.db2.gz VBKXNCATGPUOAL-UHFFFAOYSA-N -1 0 420.465 4.347 20 0 HIADRM Cc1oc(CNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1C(=O)[O-] ZINC000431654495 858715730 /nfs/dbraw/zinc/71/57/30/858715730.db2.gz IPRIJBTXSQQWLL-UHFFFAOYSA-N -1 0 420.343 4.422 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000431654972 858716872 /nfs/dbraw/zinc/71/68/72/858716872.db2.gz KTDHQQFPWZEEAN-XMMPIXPASA-N -1 0 416.477 4.201 20 0 HIADRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000431658021 858717586 /nfs/dbraw/zinc/71/75/86/858717586.db2.gz MLCWVRQOSAPIAO-JLTOFOAXSA-N -1 0 406.486 4.081 20 0 HIADRM Cc1cc(C(=O)Nc2ccccc2CC(=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000431664270 858723300 /nfs/dbraw/zinc/72/33/00/858723300.db2.gz KVXJIQMYYJXZOQ-UHFFFAOYSA-N -1 0 404.253 4.367 20 0 HIADRM CN(c1ccccc1)c1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cn1 ZINC000431664983 858723402 /nfs/dbraw/zinc/72/34/02/858723402.db2.gz NEBXINRPPWSBKE-UHFFFAOYSA-N -1 0 407.495 4.420 20 0 HIADRM Cc1cc(C)c(Br)c(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000431678605 858734686 /nfs/dbraw/zinc/73/46/86/858734686.db2.gz KONXVPPOFFQSPY-UHFFFAOYSA-N -1 0 401.260 4.358 20 0 HIADRM O=C([O-])[C@@]1(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)CCSC1 ZINC000431768777 858803334 /nfs/dbraw/zinc/80/33/34/858803334.db2.gz GLUZNRMGQAIYMO-MRXNPFEDSA-N -1 0 402.324 4.412 20 0 HIADRM Cc1cccc(-c2cncc(C(=O)N[C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])c2)c1 ZINC000431770484 858804024 /nfs/dbraw/zinc/80/40/24/858804024.db2.gz FONGRSCVOGIXQW-JOCHJYFZSA-N -1 0 417.440 4.103 20 0 HIADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(-c3ccc(C)o3)s2)c(OC)c1 ZINC000431771426 858804211 /nfs/dbraw/zinc/80/42/11/858804211.db2.gz WBORGUAJEYOIKQ-HNNXBMFYSA-N -1 0 415.467 4.280 20 0 HIADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cncc(-c3cccc(C)c3)c2)c(OC)c1 ZINC000431772021 858804839 /nfs/dbraw/zinc/80/48/39/858804839.db2.gz YINDBBGLOUIYGN-OAQYLSRUSA-N -1 0 420.465 4.020 20 0 HIADRM O=C([O-])COc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)cc1Cl ZINC000431774843 858805899 /nfs/dbraw/zinc/80/58/99/858805899.db2.gz UFSCYPZBOROEFG-UHFFFAOYSA-N -1 0 402.859 4.103 20 0 HIADRM Cc1ccccc1-c1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c2cnn(C(C)C)c2n1 ZINC000431782684 858809290 /nfs/dbraw/zinc/80/92/90/858809290.db2.gz QBYCPQKYRJQIJO-MRXNPFEDSA-N -1 0 420.513 4.313 20 0 HIADRM C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccc(Br)cc1 ZINC000431784956 858810932 /nfs/dbraw/zinc/81/09/32/858810932.db2.gz ZWGVEADLDHDHCO-BJOHPYRUSA-N -1 0 414.658 4.287 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc(OC(F)F)cc1 ZINC000431789295 858812823 /nfs/dbraw/zinc/81/28/23/858812823.db2.gz RDPWSYWKTPKNMB-GOSISDBHSA-N -1 0 414.364 4.031 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(OC(F)F)cc1 ZINC000431791004 858813442 /nfs/dbraw/zinc/81/34/42/858813442.db2.gz KKTBUARAQKESKN-MRXNPFEDSA-N -1 0 422.771 4.152 20 0 HIADRM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000431792182 858814207 /nfs/dbraw/zinc/81/42/07/858814207.db2.gz UNFPIKSQJNVNDG-QGZVFWFLSA-N -1 0 420.513 4.396 20 0 HIADRM COc1ccc(-c2cncc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(SC)cc3)c2)cc1 ZINC000431795197 858816061 /nfs/dbraw/zinc/81/60/61/858816061.db2.gz DYOXCQGNNVDCKF-NRFANRHFSA-N -1 0 422.506 4.425 20 0 HIADRM Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc12 ZINC000431796871 858816333 /nfs/dbraw/zinc/81/63/33/858816333.db2.gz VKNIFNOAJOMLNR-KRWDZBQOSA-N -1 0 411.527 4.314 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c12 ZINC000431814244 858824530 /nfs/dbraw/zinc/82/45/30/858824530.db2.gz WESLONYULMOHNK-HNNXBMFYSA-N -1 0 412.534 4.089 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc2ccccc2c1 ZINC000431861538 858843041 /nfs/dbraw/zinc/84/30/41/858843041.db2.gz YMEWNJBOBOSUOU-QFIPXVFZSA-N -1 0 411.461 4.070 20 0 HIADRM CC(C)c1nn(C)c2sc(C(=O)N[C@@H](C(=O)[O-])c3ccc4ccccc4c3)cc12 ZINC000431869814 858847166 /nfs/dbraw/zinc/84/71/66/858847166.db2.gz LBARCALRISVOLK-LJQANCHMSA-N -1 0 407.495 4.467 20 0 HIADRM CCOc1c(Cl)cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1OC ZINC000431885169 858855284 /nfs/dbraw/zinc/85/52/84/858855284.db2.gz SDLTVFFWAUKXDP-IBGZPJMESA-N -1 0 413.857 4.456 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)cnn1-c1ccc(C)cc1 ZINC000431902606 858862668 /nfs/dbraw/zinc/86/26/68/858862668.db2.gz PJUBJVIJRHIRSF-UHFFFAOYSA-N -1 0 424.448 4.348 20 0 HIADRM CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC000431970387 858894870 /nfs/dbraw/zinc/89/48/70/858894870.db2.gz BVIQKTORUJIFER-UHFFFAOYSA-N -1 0 409.914 4.167 20 0 HIADRM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000431972899 858896602 /nfs/dbraw/zinc/89/66/02/858896602.db2.gz OJDWXENXORHJNA-UHFFFAOYSA-N -1 0 411.546 4.083 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000431974890 858897365 /nfs/dbraw/zinc/89/73/65/858897365.db2.gz UIYUDZLZGOQEST-UHFFFAOYSA-N -1 0 414.383 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ZINC000431995693 858912907 /nfs/dbraw/zinc/91/29/07/858912907.db2.gz NZDFUPRSKCHHCF-HNNXBMFYSA-N -1 0 421.472 4.324 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC2)cc1)C(=O)[O-] ZINC000431999793 858914836 /nfs/dbraw/zinc/91/48/36/858914836.db2.gz DTFRNWSVUHYVHN-LBPRGKRZSA-N -1 0 416.271 4.127 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2Br)cc1)C(=O)[O-] ZINC000432000259 858914873 /nfs/dbraw/zinc/91/48/73/858914873.db2.gz MPWJNXWDASYFCX-STQMWFEESA-N -1 0 406.276 4.118 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000432000631 858914969 /nfs/dbraw/zinc/91/49/69/858914969.db2.gz HSERHZKOWNKFJQ-OLZOCXBDSA-N -1 0 406.276 4.118 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1)C(=O)[O-] ZINC000432002885 858917568 /nfs/dbraw/zinc/91/75/68/858917568.db2.gz MYHOVBCQPIYTFV-NSHDSACASA-N -1 0 419.359 4.271 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1oc3c(cccc3C)c1C)CC2 ZINC000432004225 858918332 /nfs/dbraw/zinc/91/83/32/858918332.db2.gz 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CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)cc1Cl ZINC000486072323 901265472 /nfs/dbraw/zinc/26/54/72/901265472.db2.gz VMXZBCNVGHKBCJ-UHFFFAOYSA-N -1 0 424.881 4.221 20 0 HIADRM CC(C)c1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1-c1ccccc1 ZINC000486077946 901269150 /nfs/dbraw/zinc/26/91/50/901269150.db2.gz JHFGTSGOBAZHMR-UHFFFAOYSA-N -1 0 424.526 4.071 20 0 HIADRM CC(C)c1c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cnn1-c1ccccc1 ZINC000486111720 901297229 /nfs/dbraw/zinc/29/72/29/901297229.db2.gz WPBYHDWJLSWBTI-UHFFFAOYSA-N -1 0 421.469 4.440 20 0 HIADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000486153058 901340781 /nfs/dbraw/zinc/34/07/81/901340781.db2.gz FMXUOANCUQTXDK-XJKSGUPXSA-N -1 0 411.395 4.083 20 0 HIADRM O=C(c1nn(-c2ccccc2)cc1[O-])N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000486172721 901358546 /nfs/dbraw/zinc/35/85/46/901358546.db2.gz DGSMKADJZNQJRL-UHFFFAOYSA-N -1 0 403.482 4.098 20 0 HIADRM CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H](Cc3cccc(C)c3)C(=O)[O-])o2)cc1 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SFWFVBQVLFYFKC-UHFFFAOYSA-N -1 0 412.467 4.395 20 0 HIADRM Cc1ccc(-c2nnc(-c3ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc3)o2)cc1 ZINC000486286108 901468576 /nfs/dbraw/zinc/46/85/76/901468576.db2.gz UNSAHQHHXNDPPD-LJQANCHMSA-N -1 0 407.470 4.189 20 0 HIADRM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000486285330 901468871 /nfs/dbraw/zinc/46/88/71/901468871.db2.gz QPDGXQLOSCXXCY-WXFUMESZSA-N -1 0 415.489 4.354 20 0 HIADRM Cc1nc(CSc2ccccc2C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cs1 ZINC000486286791 901470294 /nfs/dbraw/zinc/47/02/94/901470294.db2.gz WVZSKKHWJJINPB-SFHVURJKSA-N -1 0 412.536 4.342 20 0 HIADRM COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000486291246 901473089 /nfs/dbraw/zinc/47/30/89/901473089.db2.gz FSVYQCBUPKBGPN-KRWDZBQOSA-N -1 0 421.497 4.025 20 0 HIADRM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)CC/C=C\c3ccccc3)cc2)CC1 ZINC000486296695 901478052 /nfs/dbraw/zinc/47/80/52/901478052.db2.gz WVTQCSDBHHIICE-YWEYNIOJSA-N -1 0 406.482 4.056 20 0 HIADRM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000486311559 901490667 /nfs/dbraw/zinc/49/06/67/901490667.db2.gz UESYTTOLKHAQAY-IBGZPJMESA-N -1 0 415.449 4.039 20 0 HIADRM O=C([O-])COc1ccc(CCNC(=O)c2ccc(SCc3ccccc3)cc2)cc1 ZINC000486321750 901499684 /nfs/dbraw/zinc/49/96/84/901499684.db2.gz QHLWWGHMJHUMBZ-UHFFFAOYSA-N -1 0 421.518 4.415 20 0 HIADRM CC(C)c1c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000486359137 901528611 /nfs/dbraw/zinc/52/86/11/901528611.db2.gz PVYNSYBWWGEJBV-GOSISDBHSA-N -1 0 411.889 4.247 20 0 HIADRM Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000486372976 901538832 /nfs/dbraw/zinc/53/88/32/901538832.db2.gz OFLAQMOPZRUEPH-LJQANCHMSA-N -1 0 424.522 4.490 20 0 HIADRM O=C([O-])[C@@H](CNC(=O)Cc1cccc(OC(F)F)c1)Cc1cccc2ccccc21 ZINC000486375158 901541686 /nfs/dbraw/zinc/54/16/86/901541686.db2.gz OUDNWPZPSHOYQO-GOSISDBHSA-N -1 0 413.420 4.043 20 0 HIADRM Cc1noc2nc(C3CC3)cc(C(=O)NCc3c(C(=O)[O-])sc4ccsc43)c12 ZINC000486378821 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O=C([O-])c1csc(CNC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)n1 ZINC000486409505 901569001 /nfs/dbraw/zinc/56/90/01/901569001.db2.gz QLGCJIJQABTJGK-UHFFFAOYSA-N -1 0 423.469 4.378 20 0 HIADRM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)c2occc2-c2ccccc2)c1 ZINC000486409121 901569154 /nfs/dbraw/zinc/56/91/54/901569154.db2.gz WYGVIBATDIFKAD-FQEVSTJZSA-N -1 0 418.449 4.278 20 0 HIADRM COC(=O)CCc1csc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000486561134 901707003 /nfs/dbraw/zinc/70/70/03/901707003.db2.gz OUWZNVXODGYGGK-UHFFFAOYSA-N -1 0 408.545 4.097 20 0 HIADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000486560716 901707216 /nfs/dbraw/zinc/70/72/16/901707216.db2.gz JZSAXYLULQJWIY-NSHDSACASA-N -1 0 401.916 4.147 20 0 HIADRM Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)no1 ZINC000486563318 901708697 /nfs/dbraw/zinc/70/86/97/901708697.db2.gz OLRHHDPARKYHQJ-UHFFFAOYSA-N -1 0 417.668 4.460 20 0 HIADRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000486571516 901715318 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400.237 4.388 20 0 HIADRM O=C([O-])[C@H](NC(=O)CCSc1ccccc1Br)c1ccccc1F ZINC000678985496 939868933 /nfs/dbraw/zinc/86/89/33/939868933.db2.gz ANVYLFVIPQEUQC-MRXNPFEDSA-N -1 0 412.280 4.013 20 0 HIADRM COCC[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)c1ccc(C)o1 ZINC000542726552 939857188 /nfs/dbraw/zinc/85/71/88/939857188.db2.gz BXNOFKYXIGIXAD-AWEZNQCLSA-N -1 0 406.895 4.081 20 0 HIADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000542727962 939857248 /nfs/dbraw/zinc/85/72/48/939857248.db2.gz WFILSTMDPGKGEM-MRXNPFEDSA-N -1 0 418.881 4.025 20 0 HIADRM CC(C)[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1nc(C2CC2)no1 ZINC000542727587 939857275 /nfs/dbraw/zinc/85/72/75/939857275.db2.gz HGWXNWKTQZBWGB-ZDUSSCGKSA-N -1 0 418.910 4.060 20 0 HIADRM COc1cccc(C2=CCN(C(=O)N=c3nc(-c4ccccc4Cl)[n-]s3)C2)c1 ZINC000542728193 939857297 /nfs/dbraw/zinc/85/72/97/939857297.db2.gz KEJTWMXROLOVDL-UHFFFAOYSA-N -1 0 412.902 4.220 20 0 HIADRM Cc1csc([C@H]2CCCN(C(=O)N=c3nc(-c4ccccc4Cl)[n-]s3)C2)n1 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940326292 /nfs/dbraw/zinc/32/62/92/940326292.db2.gz OMVYARRVZVWQKC-UHFFFAOYSA-N -1 0 423.853 4.034 20 0 HIADRM CCOC(=O)COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 ZINC000544098914 940326411 /nfs/dbraw/zinc/32/64/11/940326411.db2.gz NJBSXHFZCHAXMS-UHFFFAOYSA-N -1 0 418.298 4.045 20 0 HIADRM Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000544392549 940410260 /nfs/dbraw/zinc/41/02/60/940410260.db2.gz ZKBIJMMNRMOAHD-UHFFFAOYSA-N -1 0 403.360 4.283 20 0 HIADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000544554477 940478053 /nfs/dbraw/zinc/47/80/53/940478053.db2.gz XMLJLSFWJVBMPF-ZETCQYMHSA-N -1 0 410.339 4.305 20 0 HIADRM CC[C@H](Cc1ccccc1Br)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000544556564 940478301 /nfs/dbraw/zinc/47/83/01/940478301.db2.gz UAUUOQYFSIMZAR-SNVBAGLBSA-N -1 0 402.210 4.323 20 0 HIADRM COc1cccc(-c2nc(=NC(=O)N[C@H](CC(F)(F)F)c3ccccc3)s[n-]2)c1 ZINC000544594396 940486722 /nfs/dbraw/zinc/48/67/22/940486722.db2.gz RYKUZOAMZAFENP-OAHLLOKOSA-N -1 0 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C[C@H](NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1c(F)cccc1Cl ZINC000563926997 945328222 /nfs/dbraw/zinc/32/82/22/945328222.db2.gz SSSUXSHUIGHXSM-GTNSWQLSSA-N -1 0 403.841 4.017 20 0 HIADRM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000544938380 940526771 /nfs/dbraw/zinc/52/67/71/940526771.db2.gz DDAJWYLUBSHRAH-MRXNPFEDSA-N -1 0 417.380 4.069 20 0 HIADRM CCc1cccnc1-c1noc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)n1 ZINC000544968372 940529456 /nfs/dbraw/zinc/52/94/56/940529456.db2.gz LXZVRDTYMVZTRU-UHFFFAOYSA-N -1 0 412.496 4.223 20 0 HIADRM Cc1ccccc1-c1cnc(CS(=O)(=O)c2nnc(-c3ccc(Cl)cc3)[n-]2)o1 ZINC000563933950 945329154 /nfs/dbraw/zinc/32/91/54/945329154.db2.gz WWKFZACCFJRHAD-UHFFFAOYSA-N -1 0 414.874 4.062 20 0 HIADRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(Sc4ccncc4)cc3)cc12 ZINC000545124022 940544910 /nfs/dbraw/zinc/54/49/10/940544910.db2.gz VYZPOPIHWLVNDJ-UHFFFAOYSA-N -1 0 412.496 4.132 20 0 HIADRM CCCc1nc(=NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)s[n-]1 ZINC000545260531 940559140 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HIADRM Cc1ccccc1-n1ncc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c1N ZINC000545992130 940671387 /nfs/dbraw/zinc/67/13/87/940671387.db2.gz ZSNFMHHVUHPDQH-UHFFFAOYSA-N -1 0 421.682 4.137 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2cccc3ccc(C)nc32)cnn1-c1cc(C)ccn1 ZINC000546179497 940722586 /nfs/dbraw/zinc/72/25/86/940722586.db2.gz RVAPCDRGXLBDBL-UHFFFAOYSA-N -1 0 421.526 4.186 20 0 HIADRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000546255138 940749959 /nfs/dbraw/zinc/74/99/59/940749959.db2.gz TWOOTVRTZBCDOC-JTQLQIEISA-N -1 0 416.952 4.140 20 0 HIADRM Cc1cccc(NS(=O)(=O)c2cccc(-c3nc([C@@H]4CCO[C@H](C)C4)no3)c2)c1 ZINC000546506854 940838803 /nfs/dbraw/zinc/83/88/03/940838803.db2.gz QZXIJTNGNQDYRW-HZPDHXFCSA-N -1 0 413.499 4.128 20 0 HIADRM CCOc1ccc([N-]S(=O)(=O)c2cnc3onc(CC)c3c2)c(C(F)(F)F)c1 ZINC000546535511 940846299 /nfs/dbraw/zinc/84/62/99/940846299.db2.gz IAWPJOHETFWVDO-UHFFFAOYSA-N -1 0 415.393 4.004 20 0 HIADRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)sc2c1 ZINC000546538519 940847341 /nfs/dbraw/zinc/84/73/41/940847341.db2.gz FYNDVGIRCSUZAE-UHFFFAOYSA-N -1 0 420.556 4.420 20 0 HIADRM C[C@](O)(C1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1)C(F)(F)F ZINC000546661620 940866446 /nfs/dbraw/zinc/86/64/46/940866446.db2.gz FCUMBTAAKSAUJS-SFHVURJKSA-N -1 0 401.812 4.364 20 0 HIADRM CCCc1nc(=NC(=O)c2cccnc2Oc2ccc(Br)cc2)s[n-]1 ZINC000546672045 940867931 /nfs/dbraw/zinc/86/79/31/940867931.db2.gz NTPZEDJNCRXEPL-UHFFFAOYSA-N -1 0 419.304 4.115 20 0 HIADRM CSCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000546780670 940881759 /nfs/dbraw/zinc/88/17/59/940881759.db2.gz QDSNJIULPXDTIL-UHFFFAOYSA-N -1 0 405.419 4.067 20 0 HIADRM CCCOc1ccccc1Oc1ncccc1C[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000546801695 940885977 /nfs/dbraw/zinc/88/59/77/940885977.db2.gz WOOLXLOEMZHLSK-CYBMUJFWSA-N -1 0 418.437 4.033 20 0 HIADRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)CC)c2C)cn1C ZINC000546859503 940896881 /nfs/dbraw/zinc/89/68/81/940896881.db2.gz NAEHRTNWKIUJFT-UHFFFAOYSA-N -1 0 422.547 4.016 20 0 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CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000485027159 900370896 /nfs/dbraw/zinc/37/08/96/900370896.db2.gz VJXZEPFEUGUHRC-UHFFFAOYSA-N -1 0 418.412 4.174 20 0 HIADRM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)c1 ZINC000485105728 900412981 /nfs/dbraw/zinc/41/29/81/900412981.db2.gz QCUQHXPIHMVIJR-UHFFFAOYSA-N -1 0 419.405 4.043 20 0 HIADRM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485149047 900448996 /nfs/dbraw/zinc/44/89/96/900448996.db2.gz KGBZHTOJLZWBAT-UHFFFAOYSA-N -1 0 421.412 4.198 20 0 HIADRM O=C([O-])[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000485208272 900498545 /nfs/dbraw/zinc/49/85/45/900498545.db2.gz IWRGXCNRCRSDKD-OFQRWUPVSA-N -1 0 408.679 4.148 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000485209917 900499602 /nfs/dbraw/zinc/49/96/02/900499602.db2.gz OSZUYPMGYATLPT-CYBMUJFWSA-N -1 0 403.059 4.312 20 0 HIADRM Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485209368 900500337 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COc1cc(CNc2cc(C(=O)[O-])ccc2OC(C)C)cc(Br)c1O ZINC000485400772 900699279 /nfs/dbraw/zinc/69/92/79/900699279.db2.gz RUCFWUVFOPBPKK-UHFFFAOYSA-N -1 0 410.264 4.261 20 0 HIADRM CCOc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1OC ZINC000485406058 900705469 /nfs/dbraw/zinc/70/54/69/900705469.db2.gz NEAYAJNUNXISKG-UHFFFAOYSA-N -1 0 420.712 4.311 20 0 HIADRM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1Cl ZINC000485411062 900709583 /nfs/dbraw/zinc/70/95/83/900709583.db2.gz VJDHWZITKXSZSF-UHFFFAOYSA-N -1 0 403.678 4.028 20 0 HIADRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3F)c2)n1 ZINC000485431553 900728020 /nfs/dbraw/zinc/72/80/20/900728020.db2.gz YETIALOUNUZOQH-UHFFFAOYSA-N -1 0 413.396 4.448 20 0 HIADRM CC1(C)Cc2nc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)sc2C(=O)C1 ZINC000485445899 900742102 /nfs/dbraw/zinc/74/21/02/900742102.db2.gz KPCLLTHTYKRLRU-UHFFFAOYSA-N -1 0 418.462 4.259 20 0 HIADRM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccccc1-c1ncc(-c3ccccc3)o1)CC2 ZINC000485447624 900743241 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CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000236703247 853913186 /nfs/dbraw/zinc/91/31/86/853913186.db2.gz DACYPXBTWSYVRP-UHFFFAOYSA-N -1 0 414.527 4.497 20 0 HIADRM CC(C)c1ccc(CCC(=O)Nc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000236708427 853914480 /nfs/dbraw/zinc/91/44/80/853914480.db2.gz XDYOFNWJOIUYFB-UHFFFAOYSA-N -1 0 422.525 4.318 20 0 HIADRM CC(=O)N[C@@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1c(F)cccc1F ZINC000236708969 853914505 /nfs/dbraw/zinc/91/45/05/853914505.db2.gz HCTCGYKFBQNJOC-HNNXBMFYSA-N -1 0 418.421 4.084 20 0 HIADRM CC(C)(Sc1ccc(Br)cc1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236714590 853915598 /nfs/dbraw/zinc/91/55/98/853915598.db2.gz LDGKBGSXILKQRI-ZDUSSCGKSA-N -1 0 414.365 4.423 20 0 HIADRM CCCCCC[C@](C)(NC(=O)c1cccc(C)c1I)C(=O)[O-] ZINC000236731988 853917516 /nfs/dbraw/zinc/91/75/16/853917516.db2.gz SJFQJNCHPJGULK-KRWDZBQOSA-N -1 0 417.287 4.143 20 0 HIADRM CC(C)Oc1cccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000236758357 853919407 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424.522 4.330 20 0 HIADRM CCOc1ccc(-c2nc(CC(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cs2)cc1 ZINC000236868091 853931328 /nfs/dbraw/zinc/93/13/28/853931328.db2.gz WNKZICSVJICNPY-UHFFFAOYSA-N -1 0 410.495 4.108 20 0 HIADRM CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000236883262 853932211 /nfs/dbraw/zinc/93/22/11/853932211.db2.gz ARVSBKCTUHMKNL-JVPBZIDWSA-N -1 0 422.485 4.130 20 0 HIADRM CCOc1ccccc1CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000236910375 853935841 /nfs/dbraw/zinc/93/58/41/853935841.db2.gz ZWQLVLRYJZFQEW-QGZVFWFLSA-N -1 0 420.303 4.113 20 0 HIADRM CCO[C@H](C)c1nc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cs1 ZINC000236920682 853938436 /nfs/dbraw/zinc/93/84/36/853938436.db2.gz MSHYNCYPMHTWAC-KDOFPFPSSA-N -1 0 418.559 4.413 20 0 HIADRM CCCc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)s1 ZINC000236935569 853940265 /nfs/dbraw/zinc/94/02/65/853940265.db2.gz WXCIBTLNNNQMLK-ZDUSSCGKSA-N -1 0 416.421 4.248 20 0 HIADRM CCCc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)s1 ZINC000236935660 853940277 /nfs/dbraw/zinc/94/02/77/853940277.db2.gz HLIZKBGDJORTCI-ZDUSSCGKSA-N -1 0 411.321 4.112 20 0 HIADRM CCCc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)s1 ZINC000236936537 853940362 /nfs/dbraw/zinc/94/03/62/853940362.db2.gz WXCIBTLNNNQMLK-CYBMUJFWSA-N -1 0 416.421 4.248 20 0 HIADRM CCC[C@@](C)(NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C)C(=O)[O-] ZINC000236957869 853942553 /nfs/dbraw/zinc/94/25/53/853942553.db2.gz VPLHXKJTWIYIEO-LJQANCHMSA-N -1 0 412.317 4.098 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2cc(F)c(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000236987545 853947570 /nfs/dbraw/zinc/94/75/70/853947570.db2.gz GZLCZLQZLWNDBD-LBPRGKRZSA-N -1 0 414.260 4.205 20 0 HIADRM CCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)cs2)cc1 ZINC000236991218 853948471 /nfs/dbraw/zinc/94/84/71/853948471.db2.gz FSDQNWPNOZKULM-HNNXBMFYSA-N -1 0 402.516 4.316 20 0 HIADRM CCc1cnc(CNC(=O)c2ccccc2SCc2occc2C(=O)[O-])s1 ZINC000237014881 853951513 /nfs/dbraw/zinc/95/15/13/853951513.db2.gz NVWGATQKXYTLPR-UHFFFAOYSA-N -1 0 402.497 4.219 20 0 HIADRM CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237050832 853957664 /nfs/dbraw/zinc/95/76/64/853957664.db2.gz JXTCBDVOMBNOBR-UHFFFAOYSA-N -1 0 409.461 4.399 20 0 HIADRM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237063418 853958601 /nfs/dbraw/zinc/95/86/01/853958601.db2.gz BRFXNXMDJZOMBF-UHFFFAOYSA-N -1 0 411.889 4.172 20 0 HIADRM CCc1cccc2c(CC(=O)N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)c[nH]c21 ZINC000237112580 853966396 /nfs/dbraw/zinc/96/63/96/853966396.db2.gz ZYWBXRWSQHFNQI-UHFFFAOYSA-N -1 0 401.466 4.037 20 0 HIADRM COC[C@](C)(CC(=O)[O-])NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000237117396 853966589 /nfs/dbraw/zinc/96/65/89/853966589.db2.gz YRZGYIVZZKVEQQ-HNNXBMFYSA-N -1 0 410.706 4.471 20 0 HIADRM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)C1 ZINC000237138767 853970705 /nfs/dbraw/zinc/97/07/05/853970705.db2.gz MYRBIPJQBXBRPD-APPZFPTMSA-N -1 0 408.690 4.176 20 0 HIADRM COc1ccc([C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237174453 853975404 /nfs/dbraw/zinc/97/54/04/853975404.db2.gz PWMBPZCSAMIPOW-UGSOOPFHSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237174951 853975525 /nfs/dbraw/zinc/97/55/25/853975525.db2.gz PWMBPZCSAMIPOW-SCLBCKFNSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccccc1C[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237196946 853979629 /nfs/dbraw/zinc/97/96/29/853979629.db2.gz FZKOXBXFTXJRLI-FZKQIMNGSA-N -1 0 407.869 4.389 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000237254709 853991656 /nfs/dbraw/zinc/99/16/56/853991656.db2.gz AKMXNNRKVJEJTM-UHFFFAOYSA-N -1 0 418.280 4.458 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000237265568 853994183 /nfs/dbraw/zinc/99/41/83/853994183.db2.gz RSLFXAOXXLOSDH-GOEBONIOSA-N -1 0 423.431 4.267 20 0 HIADRM COc1c(Br)c(C)sc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237280381 853996173 /nfs/dbraw/zinc/99/61/73/853996173.db2.gz JCWISMNMUOYYTH-UHFFFAOYSA-N -1 0 404.669 4.432 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)c1sc2ccc(F)cc2c1C)C(=O)[O-] ZINC000237284529 853997324 /nfs/dbraw/zinc/99/73/24/853997324.db2.gz XETANBWPVCUEQL-CQSZACIVSA-N -1 0 401.459 4.031 20 0 HIADRM CSc1ccc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000237317141 854005900 /nfs/dbraw/zinc/00/59/00/854005900.db2.gz NHMKAXCQCUXQCH-MRXNPFEDSA-N -1 0 408.317 4.425 20 0 HIADRM Cc1cc([C@@H](C)NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c(C)o1 ZINC000237346833 854010504 /nfs/dbraw/zinc/01/05/04/854010504.db2.gz QFTUOQQUKQWDJN-CQSZACIVSA-N -1 0 409.486 4.207 20 0 HIADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237351843 854011649 /nfs/dbraw/zinc/01/16/49/854011649.db2.gz FTOWSRFXQMMNPS-UGSOOPFHSA-N -1 0 422.294 4.489 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2ccccc2Br)cc1 ZINC000237357300 854012301 /nfs/dbraw/zinc/01/23/01/854012301.db2.gz FVIRWVYZABUQHN-KRWDZBQOSA-N -1 0 422.344 4.436 20 0 HIADRM COc1ccc([C@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)C(C)C)cc1 ZINC000237355097 854012310 /nfs/dbraw/zinc/01/23/10/854012310.db2.gz FJHYHPRRTHRINN-OAQYLSRUSA-N -1 0 407.470 4.015 20 0 HIADRM C[C@@H](CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)C1CCCCC1 ZINC000237359469 854013699 /nfs/dbraw/zinc/01/36/99/854013699.db2.gz MVVKDUMBWQBYBG-INIZCTEOSA-N -1 0 400.519 4.168 20 0 HIADRM C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000237360665 854013741 /nfs/dbraw/zinc/01/37/41/854013741.db2.gz IJRMSELDIPZYSY-MWTRTKDXSA-N -1 0 408.523 4.120 20 0 HIADRM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237364052 854014479 /nfs/dbraw/zinc/01/44/79/854014479.db2.gz MDWRATBVDKKJNV-FHLIZLRMSA-N -1 0 424.472 4.247 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3C[C@@H](C)c4ccccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237364423 854015824 /nfs/dbraw/zinc/01/58/24/854015824.db2.gz BGMLIIMCIVBPLA-OAHLLOKOSA-N -1 0 403.482 4.270 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2csc(-c3cccc(Cl)c3)n2)sc1C(=O)[O-] ZINC000237369204 854016338 /nfs/dbraw/zinc/01/63/38/854016338.db2.gz HCCSTFJZMHGIAQ-SECBINFHSA-N -1 0 407.904 4.418 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N[C@H]1CCc2c1cccc2Br)C(=O)[O-] ZINC000237382087 854018399 /nfs/dbraw/zinc/01/83/99/854018399.db2.gz ZHNPDJUCNZEYEA-BZNIZROVSA-N -1 0 420.328 4.432 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000237401610 854023827 /nfs/dbraw/zinc/02/38/27/854023827.db2.gz YWGYXCZTIVSIED-NIKGAXFTSA-N -1 0 416.315 4.302 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc(-c3ccc(C)o3)n2)cc1 ZINC000237417506 854028282 /nfs/dbraw/zinc/02/82/82/854028282.db2.gz IVKWBJVCISVMKS-CQSZACIVSA-N -1 0 402.497 4.379 20 0 HIADRM COc1ccc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(F)c2)c(F)c1 ZINC000237418396 854028648 /nfs/dbraw/zinc/02/86/48/854028648.db2.gz FRDJJOJDJLCZQF-OAQYLSRUSA-N -1 0 411.404 4.066 20 0 HIADRM Cc1ccc([C@@H](C)N(C)S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000237424493 854030485 /nfs/dbraw/zinc/03/04/85/854030485.db2.gz ZNOKFDQUWBUYKY-LLVKDONJSA-N -1 0 402.299 4.382 20 0 HIADRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000237447151 854034839 /nfs/dbraw/zinc/03/48/39/854034839.db2.gz DZVWXNKFQSHQGJ-MZKGEVEHSA-N -1 0 418.852 4.019 20 0 HIADRM COc1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)[O-])n2)cc1-c1ccccc1 ZINC000237458631 854037265 /nfs/dbraw/zinc/03/72/65/854037265.db2.gz YAJITIKOZBYTDG-UHFFFAOYSA-N -1 0 413.433 4.498 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000237484121 854043156 /nfs/dbraw/zinc/04/31/56/854043156.db2.gz CUUPPVUGKIUECC-AWEZNQCLSA-N -1 0 400.525 4.164 20 0 HIADRM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237484120 854043564 /nfs/dbraw/zinc/04/35/64/854043564.db2.gz ZSPBKSYOLHOICE-OLZOCXBDSA-N -1 0 422.344 4.375 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2csc(-c3ccc(Cl)cc3)n2)sc1C(=O)[O-] ZINC000237499096 854045408 /nfs/dbraw/zinc/04/54/08/854045408.db2.gz GZGIRKGEHVPHEU-VIFPVBQESA-N -1 0 407.904 4.418 20 0 HIADRM C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237519746 854048121 /nfs/dbraw/zinc/04/81/21/854048121.db2.gz QGFFDVFBFRXKKD-HWPZZCPQSA-N -1 0 400.233 4.232 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237531750 854050671 /nfs/dbraw/zinc/05/06/71/854050671.db2.gz XKRGDXHTGGPPDG-XJKSGUPXSA-N -1 0 402.516 4.233 20 0 HIADRM C[C@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237558782 854054553 /nfs/dbraw/zinc/05/45/53/854054553.db2.gz YQCXXANCYDNZBO-SUMWQHHRSA-N -1 0 412.324 4.209 20 0 HIADRM Cc1nc(C(F)(F)F)ccc1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000237563796 854055066 /nfs/dbraw/zinc/05/50/66/854055066.db2.gz FZHBWKOPUXZQGO-UHFFFAOYSA-N -1 0 420.309 4.155 20 0 HIADRM Cc1nc(CCC(=O)NCCCCCC(=O)[O-])oc1-c1ccc(Br)cc1 ZINC000237571750 854056245 /nfs/dbraw/zinc/05/62/45/854056245.db2.gz 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MMZUINOSMPFPHD-LLVKDONJSA-N -1 0 417.918 4.374 20 0 HIADRM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000431789090 858811456 /nfs/dbraw/zinc/81/14/56/858811456.db2.gz QDVSXYRYWYFUJJ-UHFFFAOYSA-N -1 0 404.466 4.168 20 0 HIADRM CCC(CC)n1ncc(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1C ZINC000431787573 858811632 /nfs/dbraw/zinc/81/16/32/858811632.db2.gz XDCJIKIMBWWIQW-KRWDZBQOSA-N -1 0 412.317 4.285 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000431789675 858812575 /nfs/dbraw/zinc/81/25/75/858812575.db2.gz CBYQUWGGIGIOBX-SFHVURJKSA-N -1 0 422.378 4.228 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000431791681 858813258 /nfs/dbraw/zinc/81/32/58/858813258.db2.gz QGJDOSLPQLKVEG-UHFFFAOYSA-N -1 0 400.422 4.387 20 0 HIADRM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)CCC1CCC1)C(=O)[O-] ZINC000431792981 858814158 /nfs/dbraw/zinc/81/41/58/858814158.db2.gz AQVSMMXTPPKLPY-IBGZPJMESA-N -1 0 423.435 4.330 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCCc3cccc(C(=O)[O-])c3)c12 ZINC000431797657 858816780 /nfs/dbraw/zinc/81/67/80/858816780.db2.gz DYDXENTWPADUTO-UHFFFAOYSA-N -1 0 420.513 4.043 20 0 HIADRM Cc1cc(-c2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c3c(C)noc3n2)c(C)o1 ZINC000431805523 858820199 /nfs/dbraw/zinc/82/01/99/858820199.db2.gz UJAGCOOLEXKYOL-HNNXBMFYSA-N -1 0 411.458 4.125 20 0 HIADRM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C1 ZINC000431815565 858825446 /nfs/dbraw/zinc/82/54/46/858825446.db2.gz RVEJSWWNLLKJQZ-GWCFXTLKSA-N -1 0 400.283 4.036 20 0 HIADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1Br ZINC000431856701 858841765 /nfs/dbraw/zinc/84/17/65/858841765.db2.gz WQFCBNNSUUFZGO-SFHVURJKSA-N -1 0 414.255 4.167 20 0 HIADRM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431859408 858842493 /nfs/dbraw/zinc/84/24/93/858842493.db2.gz FYWMEXAORDEZGF-HXOBKFHXSA-N -1 0 419.477 4.071 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cnn2c1nccc2-c1ccccc1)c1ccc2ccccc2c1 ZINC000431863797 858843974 /nfs/dbraw/zinc/84/39/74/858843974.db2.gz HJTSPPHJHKGCSN-QFIPXVFZSA-N -1 0 422.444 4.105 20 0 HIADRM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1noc(Cc2ccccc2)n1 ZINC000431907485 858865308 /nfs/dbraw/zinc/86/53/08/858865308.db2.gz QCEKCTQQAIECCQ-SECBINFHSA-N -1 0 418.327 4.068 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)C[C@H](C)C1CCCCC1)CC2 ZINC000431976886 858898711 /nfs/dbraw/zinc/89/87/11/858898711.db2.gz IDIIILZKKOWAPV-HNAYVOBHSA-N -1 0 403.519 4.211 20 0 HIADRM CC(C)c1nc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nn1-c1ccccc1F ZINC000431982379 858902266 /nfs/dbraw/zinc/90/22/66/858902266.db2.gz RWWHBXUXQSTETE-CQSZACIVSA-N -1 0 410.449 4.045 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1NC(=O)c1ccco1 ZINC000431983373 858903089 /nfs/dbraw/zinc/90/30/89/858903089.db2.gz VZSZYJGWTNOIIY-OAHLLOKOSA-N -1 0 406.438 4.356 20 0 HIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000431987539 858907153 /nfs/dbraw/zinc/90/71/53/858907153.db2.gz RUIDWYZRBSGZGW-UHFFFAOYSA-N -1 0 403.434 4.046 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)C[C@H]1CCCc3ccccc31)CC2 ZINC000431993225 858910343 /nfs/dbraw/zinc/91/03/43/858910343.db2.gz RSDOCXORQXAEMS-UTKZUKDTSA-N -1 0 423.509 4.115 20 0 HIADRM Cc1nc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nn1-c1ccccc1C(C)C ZINC000431996071 858912975 /nfs/dbraw/zinc/91/29/75/858912975.db2.gz SCCRRUZQYRBEEZ-OAHLLOKOSA-N -1 0 406.486 4.215 20 0 HIADRM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000431999386 858913901 /nfs/dbraw/zinc/91/39/01/858913901.db2.gz CTLGAAYTYNVVAU-LAUBAEHRSA-N -1 0 410.514 4.041 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)CSc2cccc(Br)c2)cc1)C(=O)[O-] ZINC000431998758 858913923 /nfs/dbraw/zinc/91/39/23/858913923.db2.gz AOISPZQYVMLKQJ-LBPRGKRZSA-N -1 0 408.317 4.443 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)C[C@H](C)c1ccccc1C)CC2 ZINC000431999573 858914834 /nfs/dbraw/zinc/91/48/34/858914834.db2.gz DPLWTERLQNVJKG-JXFKEZNVSA-N -1 0 411.498 4.107 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc3cc(C)cc(Br)c3o2)sc1C(=O)[O-] ZINC000432001410 858915826 /nfs/dbraw/zinc/91/58/26/858915826.db2.gz XFRRAVTTXGHGQG-VIFPVBQESA-N -1 0 423.288 4.458 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)sc1C(=O)[O-] ZINC000432002534 858917446 /nfs/dbraw/zinc/91/74/46/858917446.db2.gz LKXRYKLBONQFRW-BEFAXECRSA-N -1 0 421.522 4.131 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)c2)cn1 ZINC000432003420 858917497 /nfs/dbraw/zinc/91/74/97/858917497.db2.gz QDZOGAFZCBVZNI-MRXNPFEDSA-N -1 0 404.466 4.485 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000432002020 858917631 /nfs/dbraw/zinc/91/76/31/858917631.db2.gz IWGNLISCUOJJAD-NXOUGTEYSA-N -1 0 402.288 4.455 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1)C(=O)[O-] ZINC000432002049 858917717 /nfs/dbraw/zinc/91/77/17/858917717.db2.gz UCFNQVNDILLTRC-OLZOCXBDSA-N -1 0 406.276 4.118 20 0 HIADRM COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)c1 ZINC000432054907 858953467 /nfs/dbraw/zinc/95/34/67/858953467.db2.gz NTCAURZTBUNXKX-UHFFFAOYSA-N -1 0 407.435 4.175 20 0 HIADRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1OC ZINC000432063292 858960950 /nfs/dbraw/zinc/96/09/50/858960950.db2.gz BGRAVRGCZUGFLM-UHFFFAOYSA-N -1 0 421.412 4.484 20 0 HIADRM CC(C)(c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1)C(F)(F)F ZINC000432068395 858964392 /nfs/dbraw/zinc/96/43/92/858964392.db2.gz VRQZNHGRQGWCJS-UHFFFAOYSA-N -1 0 401.406 4.099 20 0 HIADRM Cc1ccc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000432099562 858989379 /nfs/dbraw/zinc/98/93/79/858989379.db2.gz QZYKGJNFAMSQRS-HXOBKFHXSA-N -1 0 412.461 4.150 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000432102351 858991444 /nfs/dbraw/zinc/99/14/44/858991444.db2.gz JHGAAFJTTLPMDB-GOSISDBHSA-N -1 0 421.497 4.063 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000432103006 858991886 /nfs/dbraw/zinc/99/18/86/858991886.db2.gz ODDNSPYYIUMAHJ-GOSISDBHSA-N -1 0 412.873 4.130 20 0 HIADRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccc(Cl)cc3)C(F)(F)F)cc2=O)cc1 ZINC000467546648 881368490 /nfs/dbraw/zinc/36/84/90/881368490.db2.gz BJEADSLSKPRZFQ-KRWDZBQOSA-N -1 0 409.795 4.161 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Br ZINC000432108028 858995407 /nfs/dbraw/zinc/99/54/07/858995407.db2.gz MBKYIFRPEOOBCI-CQSZACIVSA-N -1 0 410.695 4.308 20 0 HIADRM Cc1cccc(F)c1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000432113814 858998106 /nfs/dbraw/zinc/99/81/06/858998106.db2.gz RPUSCRTVDQSQEN-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM O=C([O-])c1cccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)c1 ZINC000432114050 858998507 /nfs/dbraw/zinc/99/85/07/858998507.db2.gz JEUXFNZIIMEVBY-UHFFFAOYSA-N -1 0 420.852 4.380 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])c12 ZINC000432122825 859001514 /nfs/dbraw/zinc/00/15/14/859001514.db2.gz PVZWNDCCNURNPD-MWTRTKDXSA-N -1 0 412.534 4.135 20 0 HIADRM CCOc1cc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)ccc1OCC(=O)[O-] ZINC000432125732 859004051 /nfs/dbraw/zinc/00/40/51/859004051.db2.gz VCVOPUDJEUGVCG-HXUWFJFHSA-N -1 0 411.498 4.176 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000432129743 859006351 /nfs/dbraw/zinc/00/63/51/859006351.db2.gz LSDBZLFQIKHIGL-YWZLYKJASA-N -1 0 422.934 4.447 20 0 HIADRM COc1ccc(CN(C(=O)c2cc(C(=O)[O-])co2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000432134083 859009008 /nfs/dbraw/zinc/00/90/08/859009008.db2.gz RTSICLRPOZYWDV-RHSMWYFYSA-N -1 0 401.459 4.216 20 0 HIADRM COc1ccc(CN(C(=O)CC2(C(=O)[O-])CCC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000432135660 859010003 /nfs/dbraw/zinc/01/00/03/859010003.db2.gz KNTBXJRKQVTIQI-SJLPKXTDSA-N -1 0 403.519 4.256 20 0 HIADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(c3noc(C4CCCC4)n3)CCCCCC2)C1 ZINC000432135831 859010260 /nfs/dbraw/zinc/01/02/60/859010260.db2.gz MLGFTVPTZHOAHB-IRXDYDNUSA-N -1 0 403.523 4.284 20 0 HIADRM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])C1(C)C ZINC000432138870 859012202 /nfs/dbraw/zinc/01/22/02/859012202.db2.gz YWLRKFIWBZVRQW-JBBXEZCESA-N -1 0 403.500 4.059 20 0 HIADRM NC(=O)c1oc2ccccc2c1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432179800 859032967 /nfs/dbraw/zinc/03/29/67/859032967.db2.gz ZGGQASPKAQGQIJ-UHFFFAOYSA-N -1 0 406.872 4.201 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)ccc1C(=O)N(C)C ZINC000432186871 859037438 /nfs/dbraw/zinc/03/74/38/859037438.db2.gz RJVWVKPQXANXDY-UHFFFAOYSA-N -1 0 408.932 4.366 20 0 HIADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)n1 ZINC000432316334 859100513 /nfs/dbraw/zinc/10/05/13/859100513.db2.gz WFQYYDDYCDUIIO-UHFFFAOYSA-N -1 0 420.448 4.186 20 0 HIADRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1ccc(Cl)c(Br)c1 ZINC000432346541 859113832 /nfs/dbraw/zinc/11/38/32/859113832.db2.gz LTYBWSGREPTHQD-UHFFFAOYSA-N -1 0 421.647 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CC(C)c1ccsc1C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000236816355 853925540 /nfs/dbraw/zinc/92/55/40/853925540.db2.gz AGWMILDBWJLXBW-QGZVFWFLSA-N -1 0 400.500 4.203 20 0 HIADRM CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000236817244 853926618 /nfs/dbraw/zinc/92/66/18/853926618.db2.gz BCAKINGFHCOKKH-UHFFFAOYSA-N -1 0 402.878 4.092 20 0 HIADRM Cc1cc(-c2cc(C(=O)NC3CCC(C(=O)[O-])CC3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000236818163 853926698 /nfs/dbraw/zinc/92/66/98/853926698.db2.gz BUOZUSINWSHYON-UHFFFAOYSA-N -1 0 424.501 4.262 20 0 HIADRM CC(C)c1nc(C(=O)NC(C)(C)CCC(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000236819452 853926932 /nfs/dbraw/zinc/92/69/32/853926932.db2.gz CFLQNDVPTOFQHK-UHFFFAOYSA-N -1 0 413.305 4.071 20 0 HIADRM CCN(CCC(=O)[O-])C(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C ZINC000236842076 853927597 /nfs/dbraw/zinc/92/75/97/853927597.db2.gz GMYGZPYRXSJEDA-UHFFFAOYSA-N -1 0 412.870 4.038 20 0 HIADRM CC(C)c1nc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)nn1-c1cccc(F)c1 ZINC000236833699 853927693 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-1 0 422.363 4.343 20 0 HIADRM CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236911976 853935969 /nfs/dbraw/zinc/93/59/69/853935969.db2.gz XKWRKKOCJDRJBJ-UHFFFAOYSA-N -1 0 408.267 4.268 20 0 HIADRM CCOc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000236922596 853938521 /nfs/dbraw/zinc/93/85/21/853938521.db2.gz IGDWIMHSJAPOFX-GOSISDBHSA-N -1 0 420.303 4.113 20 0 HIADRM CC[C@@H](C(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000236967983 853944440 /nfs/dbraw/zinc/94/44/40/853944440.db2.gz QRQVPHJNICDLQX-GOSISDBHSA-N -1 0 409.404 4.021 20 0 HIADRM CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000237028855 853953479 /nfs/dbraw/zinc/95/34/79/853953479.db2.gz WREVLVRWOSUAPI-HNNXBMFYSA-N -1 0 407.470 4.111 20 0 HIADRM CCc1nc(C(=O)Nc2cc(C(=O)[O-])ccc2F)nn1-c1c(Cl)cccc1Cl ZINC000237029082 853953560 /nfs/dbraw/zinc/95/35/60/853953560.db2.gz QHZRMBXLSYUZID-UHFFFAOYSA-N -1 0 423.231 4.226 20 0 HIADRM CN(CCCC(=O)[O-])C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000237032573 853954449 /nfs/dbraw/zinc/95/44/49/853954449.db2.gz NXNHNQKJCHSEHI-UHFFFAOYSA-N -1 0 411.889 4.189 20 0 HIADRM CC[C@@H](Cc1ccccc1Br)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000237039941 853955423 /nfs/dbraw/zinc/95/54/23/853955423.db2.gz CEJKWQZSZRMZSL-AWEZNQCLSA-N -1 0 420.303 4.428 20 0 HIADRM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000237040372 853955527 /nfs/dbraw/zinc/95/55/27/853955527.db2.gz OXMANLRTVCUDKV-GOSISDBHSA-N -1 0 420.494 4.126 20 0 HIADRM COc1ccccc1/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237093112 853962923 /nfs/dbraw/zinc/96/29/23/853962923.db2.gz DYPSVGMSMFWIKL-HVJHFUJKSA-N -1 0 418.287 4.193 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2)c(C)c1CCC(=O)[O-] ZINC000237099778 853963758 /nfs/dbraw/zinc/96/37/58/853963758.db2.gz RSLOVYUPTHERNF-UHFFFAOYSA-N -1 0 405.498 4.400 20 0 HIADRM Cc1ccc(N(C)C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)cc1 ZINC000237100194 853964434 /nfs/dbraw/zinc/96/44/34/853964434.db2.gz RCGVIUKKNRYBIY-UHFFFAOYSA-N -1 0 403.360 4.174 20 0 HIADRM CCc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)cc1 ZINC000237129964 853969886 /nfs/dbraw/zinc/96/98/86/853969886.db2.gz YTJWWEVBKDSPJG-UHFFFAOYSA-N -1 0 403.360 4.404 20 0 HIADRM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)C1 ZINC000237149737 853973682 /nfs/dbraw/zinc/97/36/82/853973682.db2.gz MYRBIPJQBXBRPD-VXNVDRBHSA-N -1 0 408.690 4.176 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)C1(c2cccs2)CCCCC1)C(=O)[O-] ZINC000237211096 853983250 /nfs/dbraw/zinc/98/32/50/853983250.db2.gz DAPKHTNMVMEYRV-KRWDZBQOSA-N -1 0 401.528 4.018 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000237222628 853985215 /nfs/dbraw/zinc/98/52/15/853985215.db2.gz KPMWWWGAAZPAJZ-FXAWDEMLSA-N -1 0 403.906 4.148 20 0 HIADRM COc1ccc2c(CC(=O)N[C@@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)coc2c1 ZINC000237269837 853993852 /nfs/dbraw/zinc/99/38/52/853993852.db2.gz WILLIGHJWUAEPA-KRWDZBQOSA-N -1 0 405.809 4.109 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)C(C)C)C(=O)[O-] ZINC000237268659 853994590 /nfs/dbraw/zinc/99/45/90/853994590.db2.gz KPMWWWGAAZPAJZ-XLIONFOSSA-N -1 0 403.906 4.148 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000237271684 853995588 /nfs/dbraw/zinc/99/55/88/853995588.db2.gz VWXIDRUVNUWEOY-OAGGEKHMSA-N -1 0 422.308 4.165 20 0 HIADRM COc1ccc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)cc1C(=O)[O-] ZINC000237337509 854009513 /nfs/dbraw/zinc/00/95/13/854009513.db2.gz CPZWEQOBNKHPII-UHFFFAOYSA-N -1 0 408.888 4.162 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](C)[C@@H](C)c3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237346479 854010287 /nfs/dbraw/zinc/01/02/87/854010287.db2.gz GFWLHZNLIRGMDX-IAGOWNOFSA-N -1 0 419.525 4.428 20 0 HIADRM COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCCCCCC(=O)[O-])c1 ZINC000237346566 854010729 /nfs/dbraw/zinc/01/07/29/854010729.db2.gz MNCVVDWMSASUIH-UHFFFAOYSA-N -1 0 421.497 4.231 20 0 HIADRM COc1ccccc1-c1nc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cs1 ZINC000237349166 854010822 /nfs/dbraw/zinc/01/08/22/854010822.db2.gz WBYJHAZDLIUAPO-UHFFFAOYSA-N -1 0 410.495 4.326 20 0 HIADRM C[C@@H](Cc1ccccc1Br)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237354967 854012584 /nfs/dbraw/zinc/01/25/84/854012584.db2.gz XTJLYEJQLQFRNV-STQMWFEESA-N -1 0 422.344 4.375 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2Br)cc1 ZINC000237355746 854012616 /nfs/dbraw/zinc/01/26/16/854012616.db2.gz WOSGQXOULBHZGH-GFCCVEGCSA-N -1 0 400.319 4.178 20 0 HIADRM COc1cccc(/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000237355085 854012737 /nfs/dbraw/zinc/01/27/37/854012737.db2.gz YWTKSLRIFIHILB-FHLIRTJZSA-N -1 0 418.287 4.193 20 0 HIADRM C[C@@H](Sc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237363340 854014716 /nfs/dbraw/zinc/01/47/16/854014716.db2.gz UMXJQFWGEVJTGS-WBMJQRKESA-N -1 0 408.317 4.262 20 0 HIADRM COc1cc(C2(C(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)CCCC2)ccc1C ZINC000237382016 854018677 /nfs/dbraw/zinc/01/86/77/854018677.db2.gz SEOYUBFULRVUNP-UHFFFAOYSA-N -1 0 421.537 4.460 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237384040 854019258 /nfs/dbraw/zinc/01/92/58/854019258.db2.gz XVRQDVFFLTYJRE-DEOSSOPVSA-N -1 0 406.482 4.099 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237389984 854020466 /nfs/dbraw/zinc/02/04/66/854020466.db2.gz UMLZNENCROATJK-LLVKDONJSA-N -1 0 408.907 4.009 20 0 HIADRM C[C@H](CN(C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C1CC1)C(=O)[O-] ZINC000237392161 854021787 /nfs/dbraw/zinc/02/17/87/854021787.db2.gz IKRXMEYIQFNLDU-CQSZACIVSA-N -1 0 415.921 4.120 20 0 HIADRM Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccccc3)C[C@@H](C)C(=O)[O-])o2)cc1 ZINC000237395974 854022376 /nfs/dbraw/zinc/02/23/76/854022376.db2.gz SYBUIKKPKHSYGY-GOSISDBHSA-N -1 0 406.482 4.332 20 0 HIADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)c1cccc(F)c1 ZINC000237397846 854022398 /nfs/dbraw/zinc/02/23/98/854022398.db2.gz RGPJCUIXANNKDU-SJKOYZFVSA-N -1 0 408.267 4.414 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000237433807 854032134 /nfs/dbraw/zinc/03/21/34/854032134.db2.gz QZRUGHOTQQYXCS-SNVBAGLBSA-N -1 0 412.870 4.084 20 0 HIADRM C[C@H](CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000237432204 854032246 /nfs/dbraw/zinc/03/22/46/854032246.db2.gz CHJFWMSLDPFASR-CYBMUJFWSA-N -1 0 422.403 4.042 20 0 HIADRM C[C@H](CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000237432426 854032561 /nfs/dbraw/zinc/03/25/61/854032561.db2.gz OBBOBEPCSFMYTM-CYBMUJFWSA-N -1 0 422.403 4.042 20 0 HIADRM Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000237449847 854035807 /nfs/dbraw/zinc/03/58/07/854035807.db2.gz AKOHVXHQJYPZRS-HBUWYVDXSA-N -1 0 420.303 4.103 20 0 HIADRM Cc1cc(O[C@H](C)C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)ccc1Cl ZINC000237455151 854035886 /nfs/dbraw/zinc/03/58/86/854035886.db2.gz VGTQAZINMPMUHC-CYBMUJFWSA-N -1 0 412.873 4.180 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc12 ZINC000237478890 854042414 /nfs/dbraw/zinc/04/24/14/854042414.db2.gz NVBOYYOEDJNWLL-NSHDSACASA-N -1 0 417.918 4.374 20 0 HIADRM Cc1nc([C@H](C)NC(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000237492400 854044480 /nfs/dbraw/zinc/04/44/80/854044480.db2.gz LZESUNUZTKWCHH-KOLCDFICSA-N -1 0 400.422 4.225 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)c1cccc(F)c1 ZINC000237498630 854044869 /nfs/dbraw/zinc/04/48/69/854044869.db2.gz OKULOJAVDASPDR-LLVKDONJSA-N -1 0 421.350 4.471 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1 ZINC000237504305 854046107 /nfs/dbraw/zinc/04/61/07/854046107.db2.gz RHYHHJRXMQBKQN-YEJXKQKISA-N -1 0 414.408 4.131 20 0 HIADRM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000237527196 854050305 /nfs/dbraw/zinc/05/03/05/854050305.db2.gz ODZZGDGLPFSJHJ-LBPRGKRZSA-N -1 0 408.907 4.082 20 0 HIADRM Cc1c(I)cccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000237533127 854051497 /nfs/dbraw/zinc/05/14/97/854051497.db2.gz IEPMSGPESOWPAZ-UHFFFAOYSA-N -1 0 415.271 4.353 20 0 HIADRM Cc1cc(Br)ccc1C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237545235 854052026 /nfs/dbraw/zinc/05/20/26/854052026.db2.gz ILJUJZTXXKUZDP-UHFFFAOYSA-N -1 0 413.271 4.136 20 0 HIADRM Cc1nc([C@H](C)NC(=O)C(C)(C)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000237543397 854052053 /nfs/dbraw/zinc/05/20/53/854052053.db2.gz MJCXYRHHAINFTQ-JTQLQIEISA-N -1 0 411.321 4.067 20 0 HIADRM C[C@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237546704 854052554 /nfs/dbraw/zinc/05/25/54/854052554.db2.gz NYWOQZQVWXBQJL-BLLLJJGKSA-N -1 0 408.317 4.262 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N1CCc2ccc(Br)cc21)C(=O)[O-] ZINC000237550600 854053158 /nfs/dbraw/zinc/05/31/58/854053158.db2.gz KEFOREWTWPOVHG-NSHDSACASA-N -1 0 406.301 4.217 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCCCc2nc3ccccc3s2)sc1C(=O)[O-] ZINC000237553427 854053324 /nfs/dbraw/zinc/05/33/24/854053324.db2.gz JJBVNGOJJPRKGS-GFCCVEGCSA-N -1 0 403.529 4.350 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1c[nH]c2cccc(Br)c21 ZINC000237603855 854060534 /nfs/dbraw/zinc/06/05/34/854060534.db2.gz JUDRSEGYPSTFSU-MRXNPFEDSA-N -1 0 401.260 4.185 20 0 HIADRM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(CCC(=O)[O-])cc2)c(Br)c1 ZINC000237608021 854061572 /nfs/dbraw/zinc/06/15/72/854061572.db2.gz HUTPXUVYESOSQM-ZDUSSCGKSA-N -1 0 406.276 4.181 20 0 HIADRM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1NC(=O)c1ccccc1 ZINC000237612877 854062925 /nfs/dbraw/zinc/06/29/25/854062925.db2.gz CUOHKLPJVHMZKF-GOSISDBHSA-N -1 0 408.479 4.255 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CSc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000237620246 854063994 /nfs/dbraw/zinc/06/39/94/854063994.db2.gz JSLKYBYLPNENRF-MRVPVSSYSA-N -1 0 405.328 4.426 20 0 HIADRM Cc1noc(C)c1CSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237648739 854067637 /nfs/dbraw/zinc/06/76/37/854067637.db2.gz MOVMAUYXUFOZNJ-SFHVURJKSA-N -1 0 404.532 4.154 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)Cc2csc(-c3ccc(C)cc3)n2)sc1C(=O)[O-] ZINC000237646933 854067728 /nfs/dbraw/zinc/06/77/28/854067728.db2.gz MWAKMBJUGSPQGH-GFCCVEGCSA-N -1 0 401.513 4.002 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCc1ccc(Br)cc1F ZINC000237647335 854067873 /nfs/dbraw/zinc/06/78/73/854067873.db2.gz LLVCHCIZTNLEOG-KRWDZBQOSA-N -1 0 408.267 4.161 20 0 HIADRM Cc1noc(C)c1CSc1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000237652813 854068869 /nfs/dbraw/zinc/06/88/69/854068869.db2.gz IKRYDAGPWQCPGT-UHFFFAOYSA-N -1 0 410.495 4.254 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CCCc1ccc(Br)s1)c1ccccc1 ZINC000237655323 854069143 /nfs/dbraw/zinc/06/91/43/854069143.db2.gz TYTPAOZHHBIIPW-SJKOYZFVSA-N -1 0 410.333 4.412 20 0 HIADRM Cc1cccc(C[C@@H](CNC(=O)c2cc(Br)ccc2Cl)C(=O)[O-])c1 ZINC000237657395 854070232 /nfs/dbraw/zinc/07/02/32/854070232.db2.gz YKUTXPTYFTVFDK-ZDUSSCGKSA-N -1 0 410.695 4.084 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000237665998 854071793 /nfs/dbraw/zinc/07/17/93/854071793.db2.gz HTEJZNMJWHBEGX-BDAKNGLRSA-N -1 0 403.287 4.101 20 0 HIADRM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237677523 854074333 /nfs/dbraw/zinc/07/43/33/854074333.db2.gz XKRGDXHTGGPPDG-CZUORRHYSA-N -1 0 402.516 4.233 20 0 HIADRM Cc1nc(COc2cccc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])c2)cs1 ZINC000237682020 854075481 /nfs/dbraw/zinc/07/54/81/854075481.db2.gz LQSUJAHQGAZOGA-JLTOFOAXSA-N -1 0 410.495 4.222 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)CCCc2ncc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC000237687776 854076278 /nfs/dbraw/zinc/07/62/78/854076278.db2.gz RFBPVPAEFABRBD-HXUWFJFHSA-N -1 0 406.482 4.032 20 0 HIADRM Cc1nc(-c2c[nH]c(C(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)[O-])c2)cs1 ZINC000237689436 854076409 /nfs/dbraw/zinc/07/64/09/854076409.db2.gz SUMQGOWAUZJGRE-IBGZPJMESA-N -1 0 419.506 4.273 20 0 HIADRM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC000237694685 854077027 /nfs/dbraw/zinc/07/70/27/854077027.db2.gz VQJSLNGFDOLVOG-KRWDZBQOSA-N -1 0 421.280 4.243 20 0 HIADRM 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ZINC000237717650 854082605 /nfs/dbraw/zinc/08/26/05/854082605.db2.gz XWEZIBYPPBPVEW-UHFFFAOYSA-N -1 0 418.453 4.208 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCC[C@]4(CC=CCC4)C3)cc2)c(C)c1CCC(=O)[O-] ZINC000237729682 854084797 /nfs/dbraw/zinc/08/47/97/854084797.db2.gz JPRLBXSKPQVXCI-RUZDIDTESA-N -1 0 421.541 4.469 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237730129 854084823 /nfs/dbraw/zinc/08/48/23/854084823.db2.gz FDZPKWNOSQZXCD-UHFFFAOYSA-N -1 0 424.881 4.038 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237730536 854084908 /nfs/dbraw/zinc/08/49/08/854084908.db2.gz GLSOSYRKPZQPJN-NSHDSACASA-N -1 0 424.881 4.038 20 0 HIADRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCCCC(=O)[O-] ZINC000237731658 854085783 /nfs/dbraw/zinc/08/57/83/854085783.db2.gz RUPMSTYGZMGJCX-UHFFFAOYSA-N -1 0 412.870 4.086 20 0 HIADRM Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc(C)c1OCC(=O)[O-] ZINC000237748152 854088553 /nfs/dbraw/zinc/08/85/53/854088553.db2.gz 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402.410 4.095 20 0 HIADRM O=C([O-])C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccc(Br)c1 ZINC000237937495 854121637 /nfs/dbraw/zinc/12/16/37/854121637.db2.gz ZGSGLTSFCVAZOB-DYVFJYSZSA-N -1 0 418.287 4.038 20 0 HIADRM O=C([O-])C[C@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000237934342 854121609 /nfs/dbraw/zinc/12/16/09/854121609.db2.gz USKLTTPDRKDJQK-SFHVURJKSA-N -1 0 414.458 4.046 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000237936620 854121677 /nfs/dbraw/zinc/12/16/77/854121677.db2.gz MYOSZLTXXXALPN-IYOUNJFTSA-N -1 0 418.827 4.015 20 0 HIADRM Cc1cnn(-c2ccc(C(=O)NC[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc2)c1 ZINC000237934166 854121776 /nfs/dbraw/zinc/12/17/76/854121776.db2.gz SZNSWPKFXSHHPZ-JOCHJYFZSA-N -1 0 413.477 4.007 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000237939159 854122847 /nfs/dbraw/zinc/12/28/47/854122847.db2.gz XLSBDPBLFHZXLS-GIWBLDEGSA-N -1 0 416.452 4.376 20 0 HIADRM 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ZINC000236752779 853919666 /nfs/dbraw/zinc/91/96/66/853919666.db2.gz HHKQBYAYJROCKL-UHFFFAOYSA-N -1 0 408.907 4.227 20 0 HIADRM CC(C)N(CCC(=O)[O-])C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000236768419 853920713 /nfs/dbraw/zinc/92/07/13/853920713.db2.gz MFNOIWZPQVBQDI-UHFFFAOYSA-N -1 0 402.516 4.035 20 0 HIADRM CC(C)N(CCC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 ZINC000236777322 853921249 /nfs/dbraw/zinc/92/12/49/853921249.db2.gz PPHNCJZQJYDVJG-UHFFFAOYSA-N -1 0 403.910 4.120 20 0 HIADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000236776080 853921368 /nfs/dbraw/zinc/92/13/68/853921368.db2.gz TYOGVYCISCCEMI-UHFFFAOYSA-N -1 0 401.850 4.111 20 0 HIADRM CC(C)(C)n1nc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1C1CC1 ZINC000236773991 853921608 /nfs/dbraw/zinc/92/16/08/853921608.db2.gz IHISKFRTDNIZFQ-UHFFFAOYSA-N -1 0 401.532 4.476 20 0 HIADRM CC1CCC(C)(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)CC1 ZINC000236780359 853922498 /nfs/dbraw/zinc/92/24/98/853922498.db2.gz REJOIAUSHJSMAN-UHFFFAOYSA-N -1 0 409.408 4.288 20 0 HIADRM CC(C)(CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236802033 853924621 /nfs/dbraw/zinc/92/46/21/853924621.db2.gz LKIWRIMYKSLGMB-FQEVSTJZSA-N -1 0 408.498 4.072 20 0 HIADRM Cc1cc(-c2cc(C(=O)N3CCC[C@H]3C(=O)[O-])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000236814149 853925881 /nfs/dbraw/zinc/92/58/81/853925881.db2.gz XVAZANLHKHWGAG-SFHVURJKSA-N -1 0 412.515 4.047 20 0 HIADRM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000236818294 853926588 /nfs/dbraw/zinc/92/65/88/853926588.db2.gz AAWZGAGCQOHUNO-UHFFFAOYSA-N -1 0 406.486 4.052 20 0 HIADRM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000236825998 853926935 /nfs/dbraw/zinc/92/69/35/853926935.db2.gz SWPYOBVGSAMAHU-IBGZPJMESA-N -1 0 420.494 4.296 20 0 HIADRM CCCCCC(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000236833679 853927725 /nfs/dbraw/zinc/92/77/25/853927725.db2.gz PXLUTMHZHJABBD-SFHVURJKSA-N -1 0 411.424 4.330 20 0 HIADRM CCC[C@@H](C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1 ZINC000236844134 853929198 /nfs/dbraw/zinc/92/91/98/853929198.db2.gz QAIMKCYDDQBLBS-RTWAWAEBSA-N -1 0 408.498 4.288 20 0 HIADRM CCOc1ccc(-c2nc(CC(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cs2)cc1 ZINC000236872256 853931317 /nfs/dbraw/zinc/93/13/17/853931317.db2.gz ZODFYHOKEYKODT-LFYBBSHMSA-N -1 0 408.479 4.488 20 0 HIADRM CCOc1ccc(-c2nc(CC(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000236871193 853931374 /nfs/dbraw/zinc/93/13/74/853931374.db2.gz OOFVNNGIYOLFQV-VFNWGFHPSA-N -1 0 424.522 4.330 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cnn(-c3ccc(C)cc3)c2C(C)C)sc1C(=O)[O-] ZINC000236875300 853931378 /nfs/dbraw/zinc/93/13/78/853931378.db2.gz YLZLQKAKKRFHSZ-CQSZACIVSA-N -1 0 412.515 4.258 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)Nc2ccc3nn(C(C)C)cc3c2)cc1 ZINC000236879974 853932188 /nfs/dbraw/zinc/93/21/88/853932188.db2.gz YGYBOFDKORKXQU-UHFFFAOYSA-N -1 0 403.442 4.062 20 0 HIADRM CCOc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)ccc1C ZINC000236893801 853933126 /nfs/dbraw/zinc/93/31/26/853933126.db2.gz GNHUCOZHMRIDPU-INIZCTEOSA-N -1 0 406.276 4.102 20 0 HIADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000236948030 853941321 /nfs/dbraw/zinc/94/13/21/853941321.db2.gz WPQXPXKPDMBNHS-JTQLQIEISA-N -1 0 400.422 4.463 20 0 HIADRM CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000236962644 853943528 /nfs/dbraw/zinc/94/35/28/853943528.db2.gz SIBUQAJRXZKTAH-TZMCWYRMSA-N -1 0 409.408 4.288 20 0 HIADRM CCC[C@@](C)(NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC000236975828 853945517 /nfs/dbraw/zinc/94/55/17/853945517.db2.gz PPFGGLXDKGVCIO-JOCHJYFZSA-N -1 0 412.490 4.262 20 0 HIADRM CCOc1ccc(-c2nc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cs2)cc1 ZINC000236986393 853947378 /nfs/dbraw/zinc/94/73/78/853947378.db2.gz SQQLPIOBQFYBSP-WBAXXEDZSA-N -1 0 400.500 4.067 20 0 HIADRM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000237024175 853952628 /nfs/dbraw/zinc/95/26/28/853952628.db2.gz SZYPGGIDGJMKJV-BUXKBTBVSA-N -1 0 410.923 4.376 20 0 HIADRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N(C)CCCC(=O)[O-])cc1C ZINC000237032479 853953493 /nfs/dbraw/zinc/95/34/93/853953493.db2.gz VIHASSOGADVKOR-UHFFFAOYSA-N -1 0 405.498 4.152 20 0 HIADRM CC[C@@H](Cc1ccccc1Br)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000237038906 853955714 /nfs/dbraw/zinc/95/57/14/853955714.db2.gz HFWRDQPEZHLXPK-AWEZNQCLSA-N -1 0 420.303 4.041 20 0 HIADRM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237048262 853956602 /nfs/dbraw/zinc/95/66/02/853956602.db2.gz FSSBYLPMTSJBOK-UHFFFAOYSA-N -1 0 409.461 4.399 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000237073951 853959852 /nfs/dbraw/zinc/95/98/52/853959852.db2.gz RZFCXQOUJFKKRQ-UHFFFAOYSA-N -1 0 404.253 4.150 20 0 HIADRM Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)Cc3ccc(C(=O)[O-])cc3)cc12 ZINC000237078475 853961083 /nfs/dbraw/zinc/96/10/83/853961083.db2.gz HBMUGIZVZUQRPG-UHFFFAOYSA-N -1 0 405.479 4.366 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N(C)Cc3ccc(C)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237080119 853961914 /nfs/dbraw/zinc/96/19/14/853961914.db2.gz VHDOZIMNKYLUAS-UHFFFAOYSA-N -1 0 405.498 4.087 20 0 HIADRM COc1ccc(Cl)cc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237083713 853962310 /nfs/dbraw/zinc/96/23/10/853962310.db2.gz JZHCROYHVSILIY-OAHLLOKOSA-N -1 0 400.233 4.016 20 0 HIADRM COc1ccccc1/C(C)=C/C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237093200 853963153 /nfs/dbraw/zinc/96/31/53/853963153.db2.gz XGBQBAIJBYBZPR-RTGRKSDTSA-N -1 0 418.287 4.193 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000237135181 853970519 /nfs/dbraw/zinc/97/05/19/853970519.db2.gz PAVMESMCQWGWAH-CQSZACIVSA-N -1 0 403.323 4.007 20 0 HIADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC000237137183 853970618 /nfs/dbraw/zinc/97/06/18/853970618.db2.gz VIYXIIVQOVXNAR-LJQANCHMSA-N -1 0 408.907 4.335 20 0 HIADRM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000237159671 853974335 /nfs/dbraw/zinc/97/43/35/853974335.db2.gz XBYIAVNGPDXUDJ-GFCCVEGCSA-N -1 0 410.289 4.195 20 0 HIADRM COc1ccc([C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000237175005 853975356 /nfs/dbraw/zinc/97/53/56/853975356.db2.gz DXVLMRBFVWKGSP-SCLBCKFNSA-N -1 0 420.303 4.284 20 0 HIADRM COC[C@@](C)(CC(=O)[O-])NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 ZINC000237184302 853977533 /nfs/dbraw/zinc/97/75/33/853977533.db2.gz CXANTWLSKLQUGG-OAQYLSRUSA-N -1 0 418.559 4.175 20 0 HIADRM COCc1c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])sc2cccc(F)c21 ZINC000237186491 853977838 /nfs/dbraw/zinc/97/78/38/853977838.db2.gz WJQOCJDTUDJKDZ-SGTLLEGYSA-N -1 0 401.459 4.379 20 0 HIADRM COCc1c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sc2cccc(F)c21 ZINC000237187064 853977872 /nfs/dbraw/zinc/97/78/72/853977872.db2.gz WJQOCJDTUDJKDZ-KPZWWZAWSA-N -1 0 401.459 4.379 20 0 HIADRM COc1ccccc1[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237188227 853978617 /nfs/dbraw/zinc/97/86/17/853978617.db2.gz NBXPTHZQKLNNLV-GUYCJALGSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc(CCCCCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000237240952 853988890 /nfs/dbraw/zinc/98/88/90/853988890.db2.gz UBONDHPEFNAWHH-UHFFFAOYSA-N -1 0 409.526 4.443 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000237263187 853992910 /nfs/dbraw/zinc/99/29/10/853992910.db2.gz ZOJQMOOWXDQRHF-GOSISDBHSA-N -1 0 411.523 4.292 20 0 HIADRM COc1cc(C2(C(=O)N[C@H](C)c3nc(C)c(C(=O)[O-])s3)CCCC2)ccc1C ZINC000237290462 853999033 /nfs/dbraw/zinc/99/90/33/853999033.db2.gz PTIDYXWXJURHIR-CQSZACIVSA-N -1 0 402.516 4.156 20 0 HIADRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000237322512 854006868 /nfs/dbraw/zinc/00/68/68/854006868.db2.gz FUBHWMUNIHXOQS-LBPRGKRZSA-N -1 0 408.267 4.124 20 0 HIADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000237341474 854009346 /nfs/dbraw/zinc/00/93/46/854009346.db2.gz ODZZGDGLPFSJHJ-GFCCVEGCSA-N -1 0 408.907 4.082 20 0 HIADRM Cc1cc([C@@H](C)NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c(C)o1 ZINC000237348557 854010412 /nfs/dbraw/zinc/01/04/12/854010412.db2.gz CCGFRXKFSVVSQE-LLVKDONJSA-N -1 0 421.375 4.290 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(Br)ccc2F)cc1 ZINC000237350858 854011556 /nfs/dbraw/zinc/01/15/56/854011556.db2.gz KLOBEAABYXFYGP-OAHLLOKOSA-N -1 0 412.280 4.256 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2C)cc1 ZINC000237353853 854011828 /nfs/dbraw/zinc/01/18/28/854011828.db2.gz MBIHKMKZNWTQNA-MRXNPFEDSA-N -1 0 408.317 4.425 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1 ZINC000237360966 854013374 /nfs/dbraw/zinc/01/33/74/854013374.db2.gz GIDJVTZPNNTCHV-INIZCTEOSA-N -1 0 403.548 4.429 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cccc(Br)c2)cc1 ZINC000237358538 854013692 /nfs/dbraw/zinc/01/36/92/854013692.db2.gz USJDSEYXKCVCBK-INIZCTEOSA-N -1 0 408.317 4.046 20 0 HIADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237363354 854014805 /nfs/dbraw/zinc/01/48/05/854014805.db2.gz PRSIUQJOQNRUFK-SJCJKPOMSA-N -1 0 408.267 4.099 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)c(C)c1CCC(=O)[O-] ZINC000237365370 854015748 /nfs/dbraw/zinc/01/57/48/854015748.db2.gz LJBPDJSXQCBIOJ-OAHLLOKOSA-N -1 0 403.482 4.098 20 0 HIADRM C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000237389706 854020454 /nfs/dbraw/zinc/02/04/54/854020454.db2.gz LQYIZMLNHAJGTR-PXAZEXFGSA-N -1 0 402.903 4.114 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000237394651 854021745 /nfs/dbraw/zinc/02/17/45/854021745.db2.gz FOQFUGGYOKZJDP-OAHLLOKOSA-N -1 0 404.304 4.131 20 0 HIADRM C[C@@H](OC1CCCCCC1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237395552 854022714 /nfs/dbraw/zinc/02/27/14/854022714.db2.gz YQCXXANCYDNZBO-CXAGYDPISA-N -1 0 412.324 4.209 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000237409950 854026813 /nfs/dbraw/zinc/02/68/13/854026813.db2.gz RPZSCABWYNSHKJ-LJQANCHMSA-N -1 0 410.495 4.247 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2c(Cl)c3ccccc3n2C)cc1 ZINC000237423381 854030029 /nfs/dbraw/zinc/03/00/29/854030029.db2.gz NTUREDQKKVBAQJ-HNNXBMFYSA-N -1 0 402.903 4.499 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000237425759 854030711 /nfs/dbraw/zinc/03/07/11/854030711.db2.gz AOFZDJWRMVMXJQ-KRWDZBQOSA-N -1 0 415.902 4.193 20 0 HIADRM Cc1cc(O[C@H](C)C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1Cl ZINC000237454986 854035989 /nfs/dbraw/zinc/03/59/89/854035989.db2.gz VRPQXUZDOBROHI-MRXNPFEDSA-N -1 0 401.890 4.061 20 0 HIADRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237470279 854040308 /nfs/dbraw/zinc/04/03/08/854040308.db2.gz IBBPQNZHPQPIIO-MRXNPFEDSA-N -1 0 401.890 4.061 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc3cc(C(F)(F)F)ccc3n2C)sc1C(=O)[O-] ZINC000237473708 854041025 /nfs/dbraw/zinc/04/10/25/854041025.db2.gz CLRBVKYVMPINLU-VIFPVBQESA-N -1 0 411.405 4.151 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)C(C)(C)c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000237483606 854043044 /nfs/dbraw/zinc/04/30/44/854043044.db2.gz NZABGVCXXWTNDC-SNVBAGLBSA-N -1 0 411.321 4.067 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1c[nH]c2cccc(Br)c21)C(=O)[O-] ZINC000237488675 854044469 /nfs/dbraw/zinc/04/44/69/854044469.db2.gz RRYRVIKIXVLQNK-ZDUSSCGKSA-N -1 0 415.287 4.294 20 0 HIADRM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000237495687 854045239 /nfs/dbraw/zinc/04/52/39/854045239.db2.gz VPLXLCDPIXKBLO-CHWSQXEVSA-N -1 0 409.408 4.145 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccc1 ZINC000237501835 854046351 /nfs/dbraw/zinc/04/63/51/854046351.db2.gz XURQBFBKXCTQBO-KPZWWZAWSA-N -1 0 408.267 4.099 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CSCc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000237508167 854047461 /nfs/dbraw/zinc/04/74/61/854047461.db2.gz MMJUVDCAPNLGMC-MGPUTAFESA-N -1 0 410.495 4.153 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000237519273 854048800 /nfs/dbraw/zinc/04/88/00/854048800.db2.gz QMVLSJPEOWWBQU-SNVBAGLBSA-N -1 0 401.875 4.356 20 0 HIADRM C[C@H](CCc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237524556 854049529 /nfs/dbraw/zinc/04/95/29/854049529.db2.gz FTOWSRFXQMMNPS-ACJLOTCBSA-N -1 0 422.294 4.489 20 0 HIADRM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C)cc2)o1 ZINC000237533109 854050468 /nfs/dbraw/zinc/05/04/68/854050468.db2.gz KOFXVKPVYMMUCW-VLIAUNLRSA-N -1 0 407.470 4.394 20 0 HIADRM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000237533594 854051592 /nfs/dbraw/zinc/05/15/92/854051592.db2.gz MGOCWYWDAWOMQO-NSHDSACASA-N -1 0 410.239 4.364 20 0 HIADRM Cc1ccc(-n2nc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])c3c2CCC3)c(F)c1 ZINC000237546029 854052474 /nfs/dbraw/zinc/05/24/74/854052474.db2.gz IZJAWGFRJAPPMF-YCRPNKLZSA-N -1 0 421.472 4.000 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)cc1 ZINC000237545404 854052601 /nfs/dbraw/zinc/05/26/01/854052601.db2.gz DGRRUQNXYMUKCL-QFBILLFUSA-N -1 0 403.482 4.206 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000237559732 854054233 /nfs/dbraw/zinc/05/42/33/854054233.db2.gz OEKPRXMKLYCUHB-OAHLLOKOSA-N -1 0 422.506 4.489 20 0 HIADRM Cc1ccc(F)cc1C(=O)Nc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237562610 854055488 /nfs/dbraw/zinc/05/54/88/854055488.db2.gz WYGOCODHJONVQB-UHFFFAOYSA-N -1 0 407.323 4.289 20 0 HIADRM Cc1cc(Br)ccc1SCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237572257 854056190 /nfs/dbraw/zinc/05/61/90/854056190.db2.gz ZGDVOTBZMBHUMZ-CQSZACIVSA-N -1 0 400.338 4.096 20 0 HIADRM Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237567633 854056238 /nfs/dbraw/zinc/05/62/38/854056238.db2.gz QPHVFGUSSHQDDQ-ZDUSSCGKSA-N -1 0 404.747 4.147 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000237589350 854059782 /nfs/dbraw/zinc/05/97/82/854059782.db2.gz YIJMPTPKILFLTH-LJQANCHMSA-N -1 0 410.495 4.215 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCOc1cccc(Br)c1)c1ccccc1 ZINC000237604592 854060440 /nfs/dbraw/zinc/06/04/40/854060440.db2.gz XBARBMNCIXEZKP-LIRRHRJNSA-N -1 0 420.303 4.186 20 0 HIADRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1NC(=O)c1ccccc1F ZINC000237621430 854063931 /nfs/dbraw/zinc/06/39/31/854063931.db2.gz WCZLGQVOKGJMQC-NQERJWCQSA-N -1 0 424.472 4.244 20 0 HIADRM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1NC(=O)c1ccccc1 ZINC000237621401 854064025 /nfs/dbraw/zinc/06/40/25/854064025.db2.gz VCWAQLFBEQCDJU-QMMLZNLJSA-N -1 0 406.482 4.105 20 0 HIADRM Cc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000237629340 854064639 /nfs/dbraw/zinc/06/46/39/854064639.db2.gz NYTXEKFCRARWCB-JTSKRJEESA-N -1 0 416.477 4.439 20 0 HIADRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237625040 854065129 /nfs/dbraw/zinc/06/51/29/854065129.db2.gz IBBPQNZHPQPIIO-INIZCTEOSA-N -1 0 401.890 4.061 20 0 HIADRM Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237635829 854065868 /nfs/dbraw/zinc/06/58/68/854065868.db2.gz JQKAGIQKMLDIAZ-GUYCJALGSA-N -1 0 412.467 4.094 20 0 HIADRM C[C@H](CC(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237639337 854066022 /nfs/dbraw/zinc/06/60/22/854066022.db2.gz ZKESXCAEMLIOGD-CQSZACIVSA-N -1 0 409.404 4.021 20 0 HIADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237640760 854066948 /nfs/dbraw/zinc/06/69/48/854066948.db2.gz XHFCFPKCNZNBAC-NSHDSACASA-N -1 0 415.795 4.028 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000237646113 854067797 /nfs/dbraw/zinc/06/77/97/854067797.db2.gz IICVEVZWPJAYRY-QGZVFWFLSA-N -1 0 416.886 4.240 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)CCCOc1ccccc1Br ZINC000237645547 854067845 /nfs/dbraw/zinc/06/78/45/854067845.db2.gz SPYPZYAZMNAGMI-KRWDZBQOSA-N -1 0 420.303 4.249 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000237654114 854068741 /nfs/dbraw/zinc/06/87/41/854068741.db2.gz KEUZYFDMKMGJLZ-IBGZPJMESA-N -1 0 412.486 4.056 20 0 HIADRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000237656007 854068811 /nfs/dbraw/zinc/06/88/11/854068811.db2.gz QHLFWFLIPKSNKM-QGZVFWFLSA-N -1 0 416.449 4.266 20 0 HIADRM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cc12 ZINC000237655786 854068834 /nfs/dbraw/zinc/06/88/34/854068834.db2.gz NRADQHXDVQRDCW-NEPJUHHUSA-N -1 0 403.891 4.032 20 0 HIADRM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237652991 854069059 /nfs/dbraw/zinc/06/90/59/854069059.db2.gz YBPPBJZVJSKIDQ-GOSISDBHSA-N -1 0 416.836 4.317 20 0 HIADRM Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000237664517 854071127 /nfs/dbraw/zinc/07/11/27/854071127.db2.gz FGTPTFZLPCDFDX-UHFFFAOYSA-N -1 0 418.478 4.179 20 0 HIADRM Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(CSCC(=O)[O-])c3)cc2)n1 ZINC000237665250 854071177 /nfs/dbraw/zinc/07/11/77/854071177.db2.gz PZSWPZUFNVXVEV-UHFFFAOYSA-N -1 0 409.511 4.118 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2)c(C)c1Cl ZINC000237681213 854074257 /nfs/dbraw/zinc/07/42/57/854074257.db2.gz JPXLHSKPUGGZSQ-ZUOKHONESA-N -1 0 411.889 4.334 20 0 HIADRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237676788 854074272 /nfs/dbraw/zinc/07/42/72/854074272.db2.gz QIPDSXWOFMTSDF-CALCHBBNSA-N -1 0 408.498 4.074 20 0 HIADRM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237685164 854074905 /nfs/dbraw/zinc/07/49/05/854074905.db2.gz SPDJELCPOLPUKZ-LBPRGKRZSA-N -1 0 406.916 4.259 20 0 HIADRM C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237690212 854075910 /nfs/dbraw/zinc/07/59/10/854075910.db2.gz MSZNAFDTFUSNKG-BONVTDFDSA-N -1 0 400.233 4.232 20 0 HIADRM Cc1cccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1C(=O)N1CCCC1 ZINC000237691410 854077126 /nfs/dbraw/zinc/07/71/26/854077126.db2.gz DMQLKSCCMGSRMB-HSZRJFAPSA-N -1 0 400.519 4.231 20 0 HIADRM Cc1[nH]c2ccccc2c1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237709898 854081161 /nfs/dbraw/zinc/08/11/61/854081161.db2.gz LHRAROKNTPOXHK-GOSISDBHSA-N -1 0 415.287 4.114 20 0 HIADRM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c(C)n1-c1ccccc1Br ZINC000237714481 854081621 /nfs/dbraw/zinc/08/16/21/854081621.db2.gz BGFJFHLFJDSQLL-UHFFFAOYSA-N -1 0 419.319 4.230 20 0 HIADRM Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237723832 854083920 /nfs/dbraw/zinc/08/39/20/854083920.db2.gz HTGJZSWYFVSRFC-ZDUSSCGKSA-N -1 0 421.316 4.106 20 0 HIADRM Cc1nn(-c2ccccc2)c2sc(C(=O)N3Cc4ccccc4C[C@@H]3C(=O)[O-])cc12 ZINC000237725471 854083977 /nfs/dbraw/zinc/08/39/77/854083977.db2.gz GVSYQURWYXWSHT-LJQANCHMSA-N -1 0 417.490 4.047 20 0 HIADRM Cc1[nH]c2c(cccc2C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1C ZINC000237737929 854086618 /nfs/dbraw/zinc/08/66/18/854086618.db2.gz MYECVJLTHVQBIZ-HXUWFJFHSA-N -1 0 419.481 4.116 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237738668 854086713 /nfs/dbraw/zinc/08/67/13/854086713.db2.gz IEJKXEYZUXELFG-UHFFFAOYSA-N -1 0 412.442 4.327 20 0 HIADRM Cc1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nnn1-c1ccc(-c2ccccc2)cc1 ZINC000237739597 854086831 /nfs/dbraw/zinc/08/68/31/854086831.db2.gz ZRZXDIJLKCWXMS-HXUWFJFHSA-N -1 0 418.497 4.102 20 0 HIADRM Cc1noc2nc(-c3ccccc3)cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)c12 ZINC000237748254 854089218 /nfs/dbraw/zinc/08/92/18/854089218.db2.gz MGTLQKBAZWCBTO-SNRMKQJTSA-N -1 0 405.454 4.056 20 0 HIADRM Cc1c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cnn1-c1cccc(C(F)(F)F)c1 ZINC000237755463 854089671 /nfs/dbraw/zinc/08/96/71/854089671.db2.gz CWCDGALKFCVTQA-KKXDTOCCSA-N -1 0 421.419 4.057 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000237761687 854091095 /nfs/dbraw/zinc/09/10/95/854091095.db2.gz NZBNXHLUADXFLF-SZNDQCEHSA-N -1 0 408.454 4.062 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000237776301 854094602 /nfs/dbraw/zinc/09/46/02/854094602.db2.gz 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858740894 /nfs/dbraw/zinc/74/08/94/858740894.db2.gz WXYHRRJXFOFVEL-UHFFFAOYSA-N -1 0 422.481 4.194 20 0 HIADRM C[C@H](C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccc(Br)cc1 ZINC000431770589 858804011 /nfs/dbraw/zinc/80/40/11/858804011.db2.gz STKYQRTVKBLMCI-JTQLQIEISA-N -1 0 412.667 4.308 20 0 HIADRM O=C([O-])[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1ccc(Cl)c(F)c1 ZINC000431770448 858804203 /nfs/dbraw/zinc/80/42/03/858804203.db2.gz SMFQJQCPRLIAEP-QGZVFWFLSA-N -1 0 423.227 4.002 20 0 HIADRM Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)c12 ZINC000431774253 858805791 /nfs/dbraw/zinc/80/57/91/858805791.db2.gz YCMHUISIQJOHAD-INIZCTEOSA-N -1 0 401.850 4.254 20 0 HIADRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)CCc1ccc2[nH]ccc2c1 ZINC000431776195 858806891 /nfs/dbraw/zinc/80/68/91/858806891.db2.gz NIAMKCLTGFYTAK-GOSISDBHSA-N -1 0 405.281 4.219 20 0 HIADRM CCC(CC)(CNC(=O)c1cc(COc2c(Cl)cccc2Cl)on1)C(=O)[O-] ZINC000431778576 858807531 /nfs/dbraw/zinc/80/75/31/858807531.db2.gz LJPSOWIGRRMALK-UHFFFAOYSA-N -1 0 415.273 4.181 20 0 HIADRM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431780754 858808492 /nfs/dbraw/zinc/80/84/92/858808492.db2.gz GYVHYXVUHDCCET-QGZVFWFLSA-N -1 0 404.850 4.467 20 0 HIADRM C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)C[C@H](C(=O)[O-])O1 ZINC000431787364 858811733 /nfs/dbraw/zinc/81/17/33/858811733.db2.gz VPLCSQJCTRFGFS-NOZJJQNGSA-N -1 0 400.283 4.036 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)Cc1cc2c(ccc3ccccc23)o1)C(=O)[O-] ZINC000431796637 858815984 /nfs/dbraw/zinc/81/59/84/858815984.db2.gz AEDAESCITGSMHL-SFHVURJKSA-N -1 0 417.461 4.197 20 0 HIADRM Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000431803410 858819481 /nfs/dbraw/zinc/81/94/81/858819481.db2.gz XZQMZIYFZSMWBA-UHFFFAOYSA-N -1 0 413.861 4.330 20 0 HIADRM CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000431807686 858820970 /nfs/dbraw/zinc/82/09/70/858820970.db2.gz HVCWWDQXANBMJF-OAHLLOKOSA-N -1 0 406.486 4.005 20 0 HIADRM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c2cnn(C(C)C)c2n1 ZINC000431809346 858821835 /nfs/dbraw/zinc/82/18/35/858821835.db2.gz MLMIXHWFZDRUHT-QGZVFWFLSA-N -1 0 418.856 4.059 20 0 HIADRM Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431812224 858823655 /nfs/dbraw/zinc/82/36/55/858823655.db2.gz KOJGKBCLZIKZPF-QGZVFWFLSA-N -1 0 418.856 4.059 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c12 ZINC000431814245 858824613 /nfs/dbraw/zinc/82/46/13/858824613.db2.gz WESLONYULMOHNK-OAHLLOKOSA-N -1 0 412.534 4.089 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000431870070 858848028 /nfs/dbraw/zinc/84/80/28/858848028.db2.gz SBCVEYCLERLZHX-UHFFFAOYSA-N -1 0 418.490 4.213 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1ccc2ccccc2c1 ZINC000431874386 858850358 /nfs/dbraw/zinc/85/03/58/858850358.db2.gz YIVHWCQEYRJVAJ-HXUWFJFHSA-N -1 0 413.433 4.323 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)C[C@@H](C)C1CCCCC1)CC2 ZINC000431976884 858899027 /nfs/dbraw/zinc/89/90/27/858899027.db2.gz IDIIILZKKOWAPV-BEFAXECRSA-N -1 0 403.519 4.211 20 0 HIADRM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000431979536 858899587 /nfs/dbraw/zinc/89/95/87/858899587.db2.gz DYVVTIZKRXNNNF-UONOGXRCSA-N -1 0 400.500 4.028 20 0 HIADRM CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000431979534 858899742 /nfs/dbraw/zinc/89/97/42/858899742.db2.gz DYVVTIZKRXNNNF-KBPBESRZSA-N -1 0 400.500 4.028 20 0 HIADRM Cc1ccc2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(OCC(=O)[O-])cc3)c2c1 ZINC000431978791 858899787 /nfs/dbraw/zinc/89/97/87/858899787.db2.gz ALQJOIIGOITRAW-UHFFFAOYSA-N -1 0 404.466 4.156 20 0 HIADRM Cc1cccc(I)c1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000431982023 858901592 /nfs/dbraw/zinc/90/15/92/858901592.db2.gz QLVKAFQCJFTRCZ-LBPRGKRZSA-N -1 0 423.250 4.115 20 0 HIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000431985226 858904438 /nfs/dbraw/zinc/90/44/38/858904438.db2.gz ZSSFNZLNPLBBGU-UHFFFAOYSA-N -1 0 410.857 4.117 20 0 HIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000431986991 858906166 /nfs/dbraw/zinc/90/61/66/858906166.db2.gz ONHBQJIHJRDTNO-UHFFFAOYSA-N -1 0 405.332 4.323 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)CC1CCC(C)(C)CC1)CC2 ZINC000431990113 858907875 /nfs/dbraw/zinc/90/78/75/858907875.db2.gz DMXRAIDTNIDAFN-GOSISDBHSA-N -1 0 403.519 4.211 20 0 HIADRM Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432000913 858914739 /nfs/dbraw/zinc/91/47/39/858914739.db2.gz OGVUFYKCDWFQAU-CQSZACIVSA-N -1 0 408.454 4.386 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1)C(=O)[O-] ZINC000432000942 858914840 /nfs/dbraw/zinc/91/48/40/858914840.db2.gz OISKMQMDGNTUNK-CQSZACIVSA-N -1 0 407.445 4.016 20 0 HIADRM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432001095 858915910 /nfs/dbraw/zinc/91/59/10/858915910.db2.gz OVMQFUJWZFDYEF-VXGBXAGGSA-N -1 0 411.424 4.068 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1)C(=O)[O-] ZINC000432001994 858916594 /nfs/dbraw/zinc/91/65/94/858916594.db2.gz SWWZOVGJQOBNFZ-OAHLLOKOSA-N -1 0 401.890 4.290 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000432004109 858918428 /nfs/dbraw/zinc/91/84/28/858918428.db2.gz XFDWEPIGLIYFTR-CQSZACIVSA-N -1 0 401.331 4.114 20 0 HIADRM Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432008085 858922151 /nfs/dbraw/zinc/92/21/51/858922151.db2.gz PEKKROZVCJJSNO-ZDUSSCGKSA-N -1 0 412.467 4.417 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cnn1-c1ccc(F)cc1 ZINC000432068577 858965916 /nfs/dbraw/zinc/96/59/16/858965916.db2.gz WJWOILIDLMOPLD-UHFFFAOYSA-N -1 0 413.396 4.182 20 0 HIADRM Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000432087819 858980433 /nfs/dbraw/zinc/98/04/33/858980433.db2.gz GGEHECWNRUHQES-HNNXBMFYSA-N -1 0 400.525 4.386 20 0 HIADRM CC(C)[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2occc2C(=O)[O-])CCO1 ZINC000432088400 858980555 /nfs/dbraw/zinc/98/05/55/858980555.db2.gz JFTFDARGTULAAZ-PBHICJAKSA-N -1 0 403.500 4.204 20 0 HIADRM CCCOc1ccc(Oc2ncccc2CNC(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000432096640 858987151 /nfs/dbraw/zinc/98/71/51/858987151.db2.gz GKVCEBWJZCDHII-UHFFFAOYSA-N -1 0 420.465 4.220 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C(=O)[O-] ZINC000432100542 858989460 /nfs/dbraw/zinc/98/94/60/858989460.db2.gz UWHKUXUKBXAEAX-BBRMVZONSA-N -1 0 405.903 4.199 20 0 HIADRM CCOc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)ccc1OCC(=O)[O-] ZINC000432111802 858997368 /nfs/dbraw/zinc/99/73/68/858997368.db2.gz XIXFNLNOOKSOKB-UHFFFAOYSA-N -1 0 412.467 4.233 20 0 HIADRM Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432116713 858999696 /nfs/dbraw/zinc/99/96/96/858999696.db2.gz MTHMJDDRWCWLGX-FQEVSTJZSA-N -1 0 422.481 4.076 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000432116742 858999806 /nfs/dbraw/zinc/99/98/06/858999806.db2.gz NBROORQPHDPIMS-PIGZYNQJSA-N -1 0 400.422 4.387 20 0 HIADRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000432121416 859001533 /nfs/dbraw/zinc/00/15/33/859001533.db2.gz WDZSENJYDLJXMP-STQMWFEESA-N -1 0 419.275 4.466 20 0 HIADRM O=C([O-])c1ccc(CCC(=O)Nc2cc(Cl)ccc2N2CCSCC2)cc1 ZINC000432120367 859001616 /nfs/dbraw/zinc/00/16/16/859001616.db2.gz PKLKZVCQSDTFAK-UHFFFAOYSA-N -1 0 404.919 4.163 20 0 HIADRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000432121414 859002123 /nfs/dbraw/zinc/00/21/23/859002123.db2.gz WDZSENJYDLJXMP-OLZOCXBDSA-N -1 0 419.275 4.466 20 0 HIADRM O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000432122916 859002770 /nfs/dbraw/zinc/00/27/70/859002770.db2.gz QQNNAZYAGMGLOH-UHFFFAOYSA-N -1 0 420.450 4.103 20 0 HIADRM C[C@@H](C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1)c1ccc(Br)cc1 ZINC000432128266 859006176 /nfs/dbraw/zinc/00/61/76/859006176.db2.gz CPDANUQGIXPVPL-RDTXWAMCSA-N -1 0 404.304 4.145 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000432128342 859006268 /nfs/dbraw/zinc/00/62/68/859006268.db2.gz DVNJGLQUJUERRK-IWEFOYFVSA-N -1 0 405.903 4.165 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OC2CCC2)cc1Cl ZINC000432131236 859008255 /nfs/dbraw/zinc/00/82/55/859008255.db2.gz WKNLEJDATRMWGA-MRXNPFEDSA-N -1 0 401.890 4.477 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)COc1ccccc1-c1ccccc1 ZINC000432133415 859009043 /nfs/dbraw/zinc/00/90/43/859009043.db2.gz MBUXZHABIRPUIJ-OAQYLSRUSA-N -1 0 403.478 4.325 20 0 HIADRM Cc1nn(-c2ccc(C(=O)Nc3cccc4ncccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000432133761 859009083 /nfs/dbraw/zinc/00/90/83/859009083.db2.gz PHSMNGRBNKKAIJ-UHFFFAOYSA-N -1 0 414.465 4.307 20 0 HIADRM Cc1ccc(C)c(SCc2cccc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)c2)c1 ZINC000432135336 859010235 /nfs/dbraw/zinc/01/02/35/859010235.db2.gz ZQVBYMZFGPUDHC-FPOVZHCZSA-N -1 0 413.539 4.205 20 0 HIADRM O=C1CSc2ccc([N-]S(=O)(=O)c3csc4ccc(Cl)cc43)cc2N1 ZINC000432174697 859030527 /nfs/dbraw/zinc/03/05/27/859030527.db2.gz GYQSHNAHVCPNOH-UHFFFAOYSA-N -1 0 410.929 4.400 20 0 HIADRM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OCc2ccccc2)c1 ZINC000432186036 859036045 /nfs/dbraw/zinc/03/60/45/859036045.db2.gz NYJRDJCMXUJOIC-UHFFFAOYSA-N -1 0 420.490 4.216 20 0 HIADRM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cn2)c1C ZINC000432192496 859039597 /nfs/dbraw/zinc/03/95/97/859039597.db2.gz NDMLSKRMVWYLEU-UHFFFAOYSA-N -1 0 421.478 4.133 20 0 HIADRM O=c1ccc2cc(S(=O)(=O)[N-]c3cc(F)ccc3Oc3ccccc3)ccc2[nH]1 ZINC000432192083 859039679 /nfs/dbraw/zinc/03/96/79/859039679.db2.gz MDDWGDYRICITLV-UHFFFAOYSA-N -1 0 410.426 4.260 20 0 HIADRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000432192386 859040010 /nfs/dbraw/zinc/04/00/10/859040010.db2.gz MOQYAJFKLISEJC-UHFFFAOYSA-N -1 0 400.456 4.328 20 0 HIADRM COCCCOc1cccc([N-]S(=O)(=O)c2sc(C)cc2Br)c1 ZINC000432205215 859046482 /nfs/dbraw/zinc/04/64/82/859046482.db2.gz XXLPNBNAXCVGDQ-UHFFFAOYSA-N -1 0 420.350 4.035 20 0 HIADRM Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nc4cccc(Cl)c4s3)cc2)c1 ZINC000432208597 859047163 /nfs/dbraw/zinc/04/71/63/859047163.db2.gz QXUXYBFSTPSQBU-UHFFFAOYSA-N -1 0 404.904 4.151 20 0 HIADRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000432282782 859084495 /nfs/dbraw/zinc/08/44/95/859084495.db2.gz CZJZHDIVNFMIRY-UHFFFAOYSA-N -1 0 422.382 4.363 20 0 HIADRM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)cc1 ZINC000432348329 859114946 /nfs/dbraw/zinc/11/49/46/859114946.db2.gz SGXVXOLTVLNVDG-UHFFFAOYSA-N -1 0 405.476 4.099 20 0 HIADRM O=S(=O)([N-]c1ccc(-c2ccccc2)nn1)c1ccc(Cl)c(Br)c1 ZINC000432350554 859115018 /nfs/dbraw/zinc/11/50/18/859115018.db2.gz ZCYCJHFAIPMJDM-UHFFFAOYSA-N -1 0 424.707 4.360 20 0 HIADRM CCCCCOc1ccc(S(=O)(=O)[N-]c2nc(C(=O)OC)c(C3CC3)s2)cc1 ZINC000432362590 859121456 /nfs/dbraw/zinc/12/14/56/859121456.db2.gz MXNASSUJJXFKCN-UHFFFAOYSA-N -1 0 424.544 4.177 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n(Cc2ccccn2)n1 ZINC000432366443 859124569 /nfs/dbraw/zinc/12/45/69/859124569.db2.gz FGAIOFIPOBUXBE-UHFFFAOYSA-N -1 0 404.495 4.103 20 0 HIADRM Cc1ncc(S(=O)(=O)[N-]c2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)s1 ZINC000432470888 859180070 /nfs/dbraw/zinc/18/00/70/859180070.db2.gz KIEHCASNNNXINU-UHFFFAOYSA-N -1 0 417.299 4.141 20 0 HIADRM CC(C)Oc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ccc1C(N)=O ZINC000432496308 859194476 /nfs/dbraw/zinc/19/44/76/859194476.db2.gz KWEGGTGOYFTJDE-UHFFFAOYSA-N -1 0 410.495 4.041 20 0 HIADRM O=S(=O)([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(F)ccc1F ZINC000432542473 859217811 /nfs/dbraw/zinc/21/78/11/859217811.db2.gz UMEDHAKUUQGYSU-CQSZACIVSA-N -1 0 407.467 4.085 20 0 HIADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC3(CCC3)C[C@H]2C)ccc1F ZINC000432598374 859247345 /nfs/dbraw/zinc/24/73/45/859247345.db2.gz PYZUOPPZMYQVBP-MRXNPFEDSA-N -1 0 416.518 4.340 20 0 HIADRM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1C ZINC000432645628 859270356 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ZINC000485656704 900909077 /nfs/dbraw/zinc/90/90/77/900909077.db2.gz SFTWJBJCRAFYTF-ZDUSSCGKSA-N -1 0 400.500 4.032 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000485660677 900911257 /nfs/dbraw/zinc/91/12/57/900911257.db2.gz XGIQPKIPFQLFQF-GFCCVEGCSA-N -1 0 413.417 4.423 20 0 HIADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000485714260 900963082 /nfs/dbraw/zinc/96/30/82/900963082.db2.gz CTEPZIFKLWQTTC-UHFFFAOYSA-N -1 0 418.877 4.259 20 0 HIADRM Cc1nc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)nn1-c1ccccc1C(C)C ZINC000485716441 900965513 /nfs/dbraw/zinc/96/55/13/900965513.db2.gz DTIGWMPXPVIAGR-UHFFFAOYSA-N -1 0 422.485 4.437 20 0 HIADRM COc1ccc(-c2nc3c(s2)[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)CCC3)cc1 ZINC000485717938 900967604 /nfs/dbraw/zinc/96/76/04/900967604.db2.gz JWJGIDNICDVKSW-ZDUSSCGKSA-N -1 0 414.508 4.386 20 0 HIADRM CCOc1c(Cl)cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)cc1OC ZINC000485721123 900970481 /nfs/dbraw/zinc/97/04/81/900970481.db2.gz 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CC(C)(C)c1ncc(/C=C/C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000236637100 853905923 /nfs/dbraw/zinc/90/59/23/853905923.db2.gz SZYKKWAKKKNSDX-ZHACJKMWSA-N -1 0 402.516 4.014 20 0 HIADRM CC(=O)N[C@H](CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)c1c(F)cccc1F ZINC000236733680 853917592 /nfs/dbraw/zinc/91/75/92/853917592.db2.gz HCTCGYKFBQNJOC-OAHLLOKOSA-N -1 0 418.421 4.084 20 0 HIADRM CC(C)[C@H](NC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)[O-] ZINC000236771342 853920797 /nfs/dbraw/zinc/92/07/97/853920797.db2.gz RMOHMBYHRLOXSA-INIZCTEOSA-N -1 0 409.269 4.085 20 0 HIADRM CC(C)c1nc(C(=O)N(CCC(=O)[O-])C(C)C)nn1-c1c(Cl)cccc1Cl ZINC000236773780 853921603 /nfs/dbraw/zinc/92/16/03/853921603.db2.gz SAXFRUNZABWWTE-UHFFFAOYSA-N -1 0 413.305 4.023 20 0 HIADRM CC(C)(C)n1nc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1C1CC1 ZINC000236786409 853923121 /nfs/dbraw/zinc/92/31/21/853923121.db2.gz GVFASBSEUPCPLA-FQEVSTJZSA-N -1 0 419.525 4.342 20 0 HIADRM CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1)c1ccccc1 ZINC000236794769 853923481 /nfs/dbraw/zinc/92/34/81/853923481.db2.gz LFZBEMLHPYLNKX-UHFFFAOYSA-N -1 0 402.450 4.233 20 0 HIADRM CC(C)(CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000236799252 853924722 /nfs/dbraw/zinc/92/47/22/853924722.db2.gz UNKYDRRXNYBTRD-UHFFFAOYSA-N -1 0 408.376 4.397 20 0 HIADRM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000236813027 853925964 /nfs/dbraw/zinc/92/59/64/853925964.db2.gz WBCDTTHOHQAEKH-AVKFAZBNSA-N -1 0 424.541 4.080 20 0 HIADRM CCC(CC)(CC(=O)Nc1cc(I)ccc1Cl)C(=O)[O-] ZINC000236878566 853932128 /nfs/dbraw/zinc/93/21/28/853932128.db2.gz RVDCMLCWTXXPNZ-UHFFFAOYSA-N -1 0 409.651 4.164 20 0 HIADRM CCOc1ccc2cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)[nH]c2c1 ZINC000236883421 853932205 /nfs/dbraw/zinc/93/22/05/853932205.db2.gz BZWYKPICYXQOJG-QGZVFWFLSA-N -1 0 404.825 4.305 20 0 HIADRM CCOc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000236922655 853938143 /nfs/dbraw/zinc/93/81/43/853938143.db2.gz TYEHNQGEZCBJCP-GOSISDBHSA-N -1 0 420.303 4.113 20 0 HIADRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000236931473 853939459 /nfs/dbraw/zinc/93/94/59/853939459.db2.gz UZRJTLRYIWYWKN-INIZCTEOSA-N -1 0 408.502 4.313 20 0 HIADRM CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000236985282 853947508 /nfs/dbraw/zinc/94/75/08/853947508.db2.gz ULADOMDDBLTGMH-KRWDZBQOSA-N -1 0 410.495 4.066 20 0 HIADRM CCc1cccc2c(CC(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)c[nH]c21 ZINC000237002614 853949365 /nfs/dbraw/zinc/94/93/65/853949365.db2.gz GQICNCDVURXPFP-GOSISDBHSA-N -1 0 402.853 4.398 20 0 HIADRM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000237009793 853950390 /nfs/dbraw/zinc/95/03/90/853950390.db2.gz PZAACDJIOCNMEE-IBGZPJMESA-N -1 0 412.317 4.098 20 0 HIADRM CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237048132 853956761 /nfs/dbraw/zinc/95/67/61/853956761.db2.gz HZTPWDKBSAHSEG-UHFFFAOYSA-N -1 0 415.490 4.461 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000237060675 853958651 /nfs/dbraw/zinc/95/86/51/853958651.db2.gz PSOKHWVEIPMHOP-CYBMUJFWSA-N -1 0 400.504 4.066 20 0 HIADRM CC[C@H](NC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1)c1cccs1 ZINC000237062334 853958961 /nfs/dbraw/zinc/95/89/61/853958961.db2.gz VANKPHUZEGGECJ-IBGZPJMESA-N -1 0 411.527 4.449 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000237065330 853959110 /nfs/dbraw/zinc/95/91/10/853959110.db2.gz KRAYRJJGGASPTR-UHFFFAOYSA-N -1 0 401.422 4.103 20 0 HIADRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC000237069823 853959728 /nfs/dbraw/zinc/95/97/28/853959728.db2.gz FYMNVLYKPHMBOL-LLVKDONJSA-N -1 0 413.305 4.023 20 0 HIADRM CC[C@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)C1 ZINC000237074924 853960165 /nfs/dbraw/zinc/96/01/65/853960165.db2.gz SIBUQAJRXZKTAH-JSGCOSHPSA-N -1 0 409.408 4.288 20 0 HIADRM CC[C@H](C(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237082888 853962179 /nfs/dbraw/zinc/96/21/79/853962179.db2.gz QRQVPHJNICDLQX-SFHVURJKSA-N -1 0 409.404 4.021 20 0 HIADRM COc1ccccc1/C(C)=C/C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237094344 853963022 /nfs/dbraw/zinc/96/30/22/853963022.db2.gz XGBQBAIJBYBZPR-JIIJFUIFSA-N -1 0 418.287 4.193 20 0 HIADRM CN(CC(=O)[O-])C(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 ZINC000237131838 853969715 /nfs/dbraw/zinc/96/97/15/853969715.db2.gz HDFJQJFULPGGRS-XSFVSMFZSA-N -1 0 407.491 4.411 20 0 HIADRM COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237189681 853978716 /nfs/dbraw/zinc/97/87/16/853978716.db2.gz NBXPTHZQKLNNLV-SUMWQHHRSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc(C)cc1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237205539 853981900 /nfs/dbraw/zinc/98/19/00/853981900.db2.gz QJCQCRAHGUHFFQ-UHFFFAOYSA-N -1 0 419.359 4.159 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)CCCc1csc2ccccc12)C(=O)[O-] ZINC000237212599 853983152 /nfs/dbraw/zinc/98/31/52/853983152.db2.gz ZOJQMOOWXDQRHF-SFHVURJKSA-N -1 0 411.523 4.292 20 0 HIADRM COc1ccc2[nH]cc(CC(=O)N[C@@H](CC(=O)[O-])c3ccc(C(C)(C)C)cc3)c2c1 ZINC000237262094 853992942 /nfs/dbraw/zinc/99/29/42/853992942.db2.gz FRGHJPDIXSEGTE-NRFANRHFSA-N -1 0 408.498 4.349 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237265436 853994381 /nfs/dbraw/zinc/99/43/81/853994381.db2.gz RLVIBMGTYRQGTD-WMLDXEAASA-N -1 0 423.431 4.267 20 0 HIADRM COc1cccc([C@@H](C)CC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000237279179 853996189 /nfs/dbraw/zinc/99/61/89/853996189.db2.gz FZAZNBQKWBBFRN-JTSKRJEESA-N -1 0 405.494 4.402 20 0 HIADRM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237287861 853998264 /nfs/dbraw/zinc/99/82/64/853998264.db2.gz FQEJULOQCJWXGC-INIZCTEOSA-N -1 0 418.493 4.270 20 0 HIADRM CSc1ccsc1C(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000237290109 853998404 /nfs/dbraw/zinc/99/84/04/853998404.db2.gz WYIWDJZVUVJWOK-UHFFFAOYSA-N -1 0 419.265 4.025 20 0 HIADRM CSc1ccc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000237316360 854005071 /nfs/dbraw/zinc/00/50/71/854005071.db2.gz NHMKAXCQCUXQCH-INIZCTEOSA-N -1 0 408.317 4.425 20 0 HIADRM C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237328691 854007627 /nfs/dbraw/zinc/00/76/27/854007627.db2.gz DJDRUEXRODYMNX-SCLBCKFNSA-N -1 0 422.294 4.489 20 0 HIADRM COc1cc(CNC(=O)c2oc3ccc(Br)cc3c2C)ccc1C(=O)[O-] ZINC000237333017 854008545 /nfs/dbraw/zinc/00/85/45/854008545.db2.gz MDHSMZLWZDIJLA-UHFFFAOYSA-N -1 0 418.243 4.141 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237346926 854010882 /nfs/dbraw/zinc/01/08/82/854010882.db2.gz YGCTWSDXZUHCQO-MRXNPFEDSA-N -1 0 405.498 4.306 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c(Br)c2)cc1 ZINC000237362228 854014472 /nfs/dbraw/zinc/01/44/72/854014472.db2.gz XUJYHLFTHSGYSC-INIZCTEOSA-N -1 0 408.317 4.425 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000237366212 854015489 /nfs/dbraw/zinc/01/54/89/854015489.db2.gz LAAHUPJFHXEQMD-GFCCVEGCSA-N -1 0 408.317 4.287 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2csc(-c3ccc(C)cc3C)n2)sc1C(=O)[O-] ZINC000237368591 854016299 /nfs/dbraw/zinc/01/62/99/854016299.db2.gz OASKJQIRYHZCLN-GFCCVEGCSA-N -1 0 401.513 4.381 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Br)C(=O)[O-] ZINC000237380914 854018438 /nfs/dbraw/zinc/01/84/38/854018438.db2.gz ZHNPDJUCNZEYEA-BDJLRTHQSA-N -1 0 420.328 4.432 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237383567 854019207 /nfs/dbraw/zinc/01/92/07/854019207.db2.gz JPUSBDXDJMDGPK-UHFFFAOYSA-N -1 0 406.482 4.099 20 0 HIADRM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1 ZINC000237384684 854019335 /nfs/dbraw/zinc/01/93/35/854019335.db2.gz HBXULKRQCPKFCA-DEOSSOPVSA-N -1 0 406.482 4.146 20 0 HIADRM C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1F ZINC000237398388 854023708 /nfs/dbraw/zinc/02/37/08/854023708.db2.gz YFQBLUMIYSKHII-SJKOYZFVSA-N -1 0 408.267 4.414 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000237403355 854024508 /nfs/dbraw/zinc/02/45/08/854024508.db2.gz YWGYXCZTIVSIED-ZMYBRWDISA-N -1 0 416.315 4.302 20 0 HIADRM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237405294 854025738 /nfs/dbraw/zinc/02/57/38/854025738.db2.gz WWVPRJBBTOIXEZ-VXGBXAGGSA-N -1 0 409.408 4.144 20 0 HIADRM COc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c(F)c2)c(F)c1 ZINC000237413561 854026897 /nfs/dbraw/zinc/02/68/97/854026897.db2.gz CSEDKMJAFWABGI-HNNXBMFYSA-N -1 0 403.425 4.500 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnn(-c3ccccc3C)c2C)cc1 ZINC000237417245 854027559 /nfs/dbraw/zinc/02/75/59/854027559.db2.gz YSUQFGCCAWUCLN-LJQANCHMSA-N -1 0 409.511 4.157 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2csc(Cc3ccccc3)n2)cc1 ZINC000237426565 854030679 /nfs/dbraw/zinc/03/06/79/854030679.db2.gz SBCGFZNBQGWPNZ-KRWDZBQOSA-N -1 0 412.536 4.402 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000237461305 854037197 /nfs/dbraw/zinc/03/71/97/854037197.db2.gz DTPJBRPGXAXSBV-RKDXNWHRSA-N -1 0 403.287 4.101 20 0 HIADRM COc1ccc2c(CC(=O)NC[C@H](Cc3ccc4ccccc4c3)C(=O)[O-])coc2c1 ZINC000237461286 854037281 /nfs/dbraw/zinc/03/72/81/854037281.db2.gz QMXAFMCBCCCUFE-IBGZPJMESA-N -1 0 417.461 4.197 20 0 HIADRM C[C@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1cccs1 ZINC000237472014 854040294 /nfs/dbraw/zinc/04/02/94/854040294.db2.gz CCMTXWCEOQEMHC-JTQLQIEISA-N -1 0 409.389 4.393 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cccc(COc3cccc(F)c3)c2)sc1C(=O)[O-] ZINC000237486646 854043375 /nfs/dbraw/zinc/04/33/75/854043375.db2.gz JWTNZFQUBHWYFO-ZDUSSCGKSA-N -1 0 414.458 4.359 20 0 HIADRM COc1ccc2oc([C@@H](C)NC(=O)CC3(C(=O)[O-])Cc4ccccc4C3)c(C)c2c1 ZINC000237484354 854043545 /nfs/dbraw/zinc/04/35/45/854043545.db2.gz SKCMMVGXVCWTSK-OAHLLOKOSA-N -1 0 407.466 4.187 20 0 HIADRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000237492593 854044495 /nfs/dbraw/zinc/04/44/95/854044495.db2.gz RKBFCVINOSWIJN-LLVKDONJSA-N -1 0 416.836 4.011 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)sc1C(=O)[O-] ZINC000237494196 854044945 /nfs/dbraw/zinc/04/49/45/854044945.db2.gz ZJRUTRHJQSPHMP-ZDUSSCGKSA-N -1 0 412.515 4.124 20 0 HIADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237503505 854046475 /nfs/dbraw/zinc/04/64/75/854046475.db2.gz DJDRUEXRODYMNX-ACJLOTCBSA-N -1 0 422.294 4.489 20 0 HIADRM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000237528202 854050699 /nfs/dbraw/zinc/05/06/99/854050699.db2.gz XQGHIPADDYUNEG-LBPRGKRZSA-N -1 0 408.907 4.130 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000237558645 854054065 /nfs/dbraw/zinc/05/40/65/854054065.db2.gz OTWGYXPJMVFRJS-JTQLQIEISA-N -1 0 401.381 4.340 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000237557679 854054598 /nfs/dbraw/zinc/05/45/98/854054598.db2.gz QWMVQWVCMWBDFL-CQSZACIVSA-N -1 0 404.532 4.484 20 0 HIADRM C[C@@H](CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000237567361 854056095 /nfs/dbraw/zinc/05/60/95/854056095.db2.gz CHJFWMSLDPFASR-ZDUSSCGKSA-N -1 0 422.403 4.042 20 0 HIADRM C[C@@H](CC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000237567396 854056118 /nfs/dbraw/zinc/05/61/18/854056118.db2.gz WPJIKEIBABBGOV-ZDUSSCGKSA-N -1 0 422.403 4.042 20 0 HIADRM Cc1nc([C@H](C)NC(=O)/C=C/c2cccc(OC3CCCC3)c2)sc1C(=O)[O-] ZINC000237576054 854057470 /nfs/dbraw/zinc/05/74/70/854057470.db2.gz CGRAUXQHTLSDIG-VNDWYCCKSA-N -1 0 400.500 4.362 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000237585964 854059817 /nfs/dbraw/zinc/05/98/17/854059817.db2.gz KKNQIRCHBLKKOX-GOSISDBHSA-N -1 0 414.408 4.193 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCCc1ccc(Br)s1)c1ccccc1 ZINC000237604941 854060347 /nfs/dbraw/zinc/06/03/47/854060347.db2.gz TYTPAOZHHBIIPW-SJCJKPOMSA-N -1 0 410.333 4.412 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)CCc1ccc(Br)cc1F)c1ccccc1 ZINC000237607248 854060558 /nfs/dbraw/zinc/06/05/58/854060558.db2.gz XURQBFBKXCTQBO-SGTLLEGYSA-N -1 0 408.267 4.099 20 0 HIADRM C[C@](CC(=O)[O-])(C(=O)Nc1ccccc1C(=O)NCc1ccco1)C1CCCCC1 ZINC000237615905 854062428 /nfs/dbraw/zinc/06/24/28/854062428.db2.gz WGBMVRRLMONKAS-HSZRJFAPSA-N -1 0 412.486 4.209 20 0 HIADRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1I ZINC000237619985 854063596 /nfs/dbraw/zinc/06/35/96/854063596.db2.gz FAKMGVJNHUGAFT-UHFFFAOYSA-N -1 0 415.614 4.204 20 0 HIADRM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000237628957 854064991 /nfs/dbraw/zinc/06/49/91/854064991.db2.gz MKAHLGXDHGVXDV-GTNSWQLSSA-N -1 0 406.360 4.258 20 0 HIADRM C[C@@]1(C(=O)[O-])CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000237645273 854066696 /nfs/dbraw/zinc/06/66/96/854066696.db2.gz QHCQPGZLSCBZAU-TZIWHRDSSA-N -1 0 403.931 4.486 20 0 HIADRM Cc1cc(C)cc(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237645167 854066876 /nfs/dbraw/zinc/06/68/76/854066876.db2.gz DXHWHQDRDTXQFT-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cc1noc(C)c1CSCC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237649511 854067720 /nfs/dbraw/zinc/06/77/20/854067720.db2.gz MOVMAUYXUFOZNJ-GOSISDBHSA-N -1 0 404.532 4.154 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1[nH]c2ccccc2c1Br ZINC000237665038 854070668 /nfs/dbraw/zinc/07/06/68/854070668.db2.gz JKGRMPLPWUDHCO-HNNXBMFYSA-N -1 0 401.260 4.185 20 0 HIADRM Cc1ccc(C)c(NC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000237665361 854071046 /nfs/dbraw/zinc/07/10/46/854071046.db2.gz UUQBXISWLNWQHX-UHFFFAOYSA-N -1 0 403.360 4.458 20 0 HIADRM Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1C(=O)[O-] ZINC000237663054 854071069 /nfs/dbraw/zinc/07/10/69/854071069.db2.gz HFTUJZCTMUMEDD-UHFFFAOYSA-N -1 0 418.287 4.143 20 0 HIADRM Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)cc2)n1 ZINC000237665159 854071183 /nfs/dbraw/zinc/07/11/83/854071183.db2.gz WHCMBVYWANALQK-UHFFFAOYSA-N -1 0 407.470 4.044 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1 ZINC000237681784 854073872 /nfs/dbraw/zinc/07/38/72/854073872.db2.gz HYFSNIMCBPYVCR-IIBYNOLFSA-N -1 0 408.498 4.397 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 ZINC000237680378 854074068 /nfs/dbraw/zinc/07/40/68/854074068.db2.gz CRKPEQMFPGATSL-AUUYWEPGSA-N -1 0 408.479 4.192 20 0 HIADRM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000237684924 854075199 /nfs/dbraw/zinc/07/51/99/854075199.db2.gz PBSFFWRKEKLRJK-NRFANRHFSA-N -1 0 402.450 4.193 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237687425 854075996 /nfs/dbraw/zinc/07/59/96/854075996.db2.gz WDWBPBHXADGCKI-UHFFFAOYSA-N -1 0 404.253 4.497 20 0 HIADRM Cc1cc(C)n(-c2ccc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Cl)c(F)c3)cc2)n1 ZINC000237688667 854076207 /nfs/dbraw/zinc/07/62/07/854076207.db2.gz ZSQAWBRNVCBVGV-LJQANCHMSA-N -1 0 415.852 4.227 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237686572 854076254 /nfs/dbraw/zinc/07/62/54/854076254.db2.gz PIGBYWUJYMJEHB-UHFFFAOYSA-N -1 0 418.280 4.175 20 0 HIADRM C[C@H]1CN(c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000237696122 854077723 /nfs/dbraw/zinc/07/77/23/854077723.db2.gz DVKVHJYXQYIILA-STQMWFEESA-N -1 0 416.440 4.149 20 0 HIADRM Cc1ccc(CCCC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)s1 ZINC000237697032 854077862 /nfs/dbraw/zinc/07/78/62/854077862.db2.gz KTYQNLIZQMAKQA-MRXNPFEDSA-N -1 0 410.333 4.474 20 0 HIADRM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000237697436 854078160 /nfs/dbraw/zinc/07/81/60/854078160.db2.gz SVWUWAQTUMQQDJ-UHFFFAOYSA-N -1 0 416.886 4.165 20 0 HIADRM Cc1nc(-c2cccc(C(=O)Nc3ccccc3-n3ccc(C(=O)[O-])n3)c2)cs1 ZINC000237699103 854078928 /nfs/dbraw/zinc/07/89/28/854078928.db2.gz UAVPNCQDMRIMSU-UHFFFAOYSA-N -1 0 404.451 4.255 20 0 HIADRM Cc1nc(Cc2ccccc2)sc1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000237705294 854079750 /nfs/dbraw/zinc/07/97/50/854079750.db2.gz HNUQTESFBWQNLS-LJQANCHMSA-N -1 0 408.523 4.024 20 0 HIADRM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000237706439 854079796 /nfs/dbraw/zinc/07/97/96/854079796.db2.gz HQPRKUAUDUPMDF-UHFFFAOYSA-N -1 0 403.482 4.221 20 0 HIADRM Cc1nc2cc(NC(=O)c3ccc(-n4nc(C)c(CCC(=O)[O-])c4C)cc3)ccc2o1 ZINC000237714375 854082084 /nfs/dbraw/zinc/08/20/84/854082084.db2.gz OMKLPXYBDZCGIY-UHFFFAOYSA-N -1 0 418.453 4.208 20 0 HIADRM C[C@@](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)(C(=O)[O-])C1CC1 ZINC000237719198 854082683 /nfs/dbraw/zinc/08/26/83/854082683.db2.gz LWIYUKZTZNAHHC-QHCPKHFHSA-N -1 0 423.900 4.105 20 0 HIADRM Cc1c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(Br)c1 ZINC000237726826 854084584 /nfs/dbraw/zinc/08/45/84/854084584.db2.gz WVBUXPQHSYZGRL-UHFFFAOYSA-N -1 0 414.259 4.202 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCCCCC(=O)[O-])cc12 ZINC000237728183 854084836 /nfs/dbraw/zinc/08/48/36/854084836.db2.gz ZHXBEQJAUFHNDC-UHFFFAOYSA-N -1 0 405.907 4.424 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCc3cc4ccccc4o3)cc2)c(C)c1CCC(=O)[O-] ZINC000237733654 854086030 /nfs/dbraw/zinc/08/60/30/854086030.db2.gz COUQVPJYNZBGOW-UHFFFAOYSA-N -1 0 417.465 4.183 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)CSCc1cc(-c2cccs2)on1)c1ccccc1 ZINC000237742779 854088086 /nfs/dbraw/zinc/08/80/86/854088086.db2.gz JQYONEIGBDHJQE-YJYMSZOUSA-N -1 0 416.524 4.215 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCc3ccc(C)cc3C)cc2)c(C)c1CCC(=O)[O-] ZINC000237754361 854088563 /nfs/dbraw/zinc/08/85/63/854088563.db2.gz LUJHYKHXONNGPX-UHFFFAOYSA-N -1 0 405.498 4.053 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237750337 854088602 /nfs/dbraw/zinc/08/86/02/854088602.db2.gz UFSUFIGDIFWWAE-UHFFFAOYSA-N -1 0 401.825 4.161 20 0 HIADRM Cc1ccc(-c2nc(C)c(C(=O)N(CCC(=O)[O-])Cc3cccc(F)c3F)s2)o1 ZINC000237757862 854089636 /nfs/dbraw/zinc/08/96/36/854089636.db2.gz NDRDZIXHKDEWIQ-UHFFFAOYSA-N -1 0 420.437 4.415 20 0 HIADRM Cc1c(=O)c2cccc(C(=O)NCc3cccc(C(=O)[O-])c3)c2oc1-c1ccccc1 ZINC000237762341 854090793 /nfs/dbraw/zinc/09/07/93/854090793.db2.gz CXHLDNAXVZJVEC-UHFFFAOYSA-N -1 0 413.429 4.397 20 0 HIADRM Cc1nc(CSc2ccc(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2)cs1 ZINC000237769235 854092578 /nfs/dbraw/zinc/09/25/78/854092578.db2.gz ZCLFWXCIQYNPGN-UHFFFAOYSA-N -1 0 412.536 4.415 20 0 HIADRM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OCC(=O)[O-])c(Cl)c3)s2)o1 ZINC000237766379 854092806 /nfs/dbraw/zinc/09/28/06/854092806.db2.gz MMYSQPUDEFUFCS-UHFFFAOYSA-N -1 0 406.847 4.389 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCCc4cc(C)ccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237809805 854102215 /nfs/dbraw/zinc/10/22/15/854102215.db2.gz RCVWJRPLTIEMFQ-UHFFFAOYSA-N -1 0 417.509 4.408 20 0 HIADRM Cc1cc(NC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)ccc1C(=O)[O-] ZINC000237818720 854103500 /nfs/dbraw/zinc/10/35/00/854103500.db2.gz HWHSVLOCDKTYIN-UHFFFAOYSA-N -1 0 404.451 4.255 20 0 HIADRM Cc1cccc2c1CCN2C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237828491 854104573 /nfs/dbraw/zinc/10/45/73/854104573.db2.gz RYYOZUNJWPORKP-UHFFFAOYSA-N -1 0 415.371 4.101 20 0 HIADRM Cc1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)ccc1C(=O)[O-] ZINC000237842418 854106657 /nfs/dbraw/zinc/10/66/57/854106657.db2.gz AYGFTKULAFRDKV-UHFFFAOYSA-N -1 0 424.766 4.198 20 0 HIADRM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237851193 854107689 /nfs/dbraw/zinc/10/76/89/854107689.db2.gz GETGCBHKAYTAAA-NRFANRHFSA-N -1 0 411.546 4.035 20 0 HIADRM Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237854810 854108434 /nfs/dbraw/zinc/10/84/34/854108434.db2.gz DPIWJLZXGYPJBU-UHFFFAOYSA-N -1 0 405.498 4.055 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)c12 ZINC000237874992 854112775 /nfs/dbraw/zinc/11/27/75/854112775.db2.gz CVTPLHFINGKPQB-UHFFFAOYSA-N -1 0 410.449 4.462 20 0 HIADRM Cn1c2ccccc2nc1[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000237875253 854112861 /nfs/dbraw/zinc/11/28/61/854112861.db2.gz NBGAWOVWSYLZTM-HSZRJFAPSA-N -1 0 413.477 4.110 20 0 HIADRM Cc1nn(-c2ccccc2)cc1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237886301 854114732 /nfs/dbraw/zinc/11/47/32/854114732.db2.gz UDMOAIWJUVPOHM-NRFANRHFSA-N -1 0 413.477 4.007 20 0 HIADRM Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)cc12 ZINC000237921493 854120122 /nfs/dbraw/zinc/12/01/22/854120122.db2.gz OSGRFNJFODOPAG-FQEVSTJZSA-N -1 0 417.918 4.091 20 0 HIADRM O=C([O-])C1(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)CCCCC1 ZINC000237936690 854121741 /nfs/dbraw/zinc/12/17/41/854121741.db2.gz BYSAXPMPQZOUSN-UHFFFAOYSA-N -1 0 423.332 4.019 20 0 HIADRM O=C([O-])/C=C/c1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000237942956 854122765 /nfs/dbraw/zinc/12/27/65/854122765.db2.gz LKLLAZPJWDADPW-ANCZKMTESA-N -1 0 414.461 4.284 20 0 HIADRM O=C([O-])c1cnn(-c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)c1C(F)(F)F ZINC000237950707 854124315 /nfs/dbraw/zinc/12/43/15/854124315.db2.gz LEKCZIRHQZQRCM-UHFFFAOYSA-N -1 0 421.350 4.300 20 0 HIADRM O=C([O-])/C=C/c1ccc(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)cc1 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4.129 20 0 HIADRM COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427213989 856715848 /nfs/dbraw/zinc/71/58/48/856715848.db2.gz ZGZUHEVHGUOUDE-UHFFFAOYSA-N -1 0 412.920 4.084 20 0 HIADRM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nc(Cc2ccccc2)no1 ZINC000427253165 856737971 /nfs/dbraw/zinc/73/79/71/856737971.db2.gz LWVNAPSQQNNQER-LLVKDONJSA-N -1 0 412.298 4.007 20 0 HIADRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC(C)(C)[C@@H]2C2CC2)ccc1F ZINC000427278884 856748676 /nfs/dbraw/zinc/74/86/76/856748676.db2.gz ASEGFSVRDPFSAO-FQEVSTJZSA-N -1 0 416.518 4.196 20 0 HIADRM CC1(C)CN(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)[C@@H]1C1CC1 ZINC000427283065 856749984 /nfs/dbraw/zinc/74/99/84/856749984.db2.gz HIXOCNZQFRPONN-LJQANCHMSA-N -1 0 418.946 4.401 20 0 HIADRM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Br)cccc1-c1ncco1 ZINC000427300205 856759253 /nfs/dbraw/zinc/75/92/53/856759253.db2.gz SGATYXCWWDNXHV-UHFFFAOYSA-N -1 0 411.252 4.352 20 0 HIADRM O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427352311 856787812 /nfs/dbraw/zinc/78/78/12/856787812.db2.gz NHNDYNXUAZPXOB-UHFFFAOYSA-N -1 0 402.325 4.180 20 0 HIADRM O=S(=O)([N-]c1ccc(OC(F)F)cn1)c1ccc(C(F)(F)F)cc1Cl ZINC000427626214 856891687 /nfs/dbraw/zinc/89/16/87/856891687.db2.gz MUQONIRNAMWFLI-UHFFFAOYSA-N -1 0 402.728 4.156 20 0 HIADRM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3Cl)n2)oc1C ZINC000427641780 856894886 /nfs/dbraw/zinc/89/48/86/856894886.db2.gz KGFBWOKAKNQTFY-UHFFFAOYSA-N -1 0 424.837 4.030 20 0 HIADRM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3Cl)n2)cc1OC ZINC000427645108 856895884 /nfs/dbraw/zinc/89/58/84/856895884.db2.gz BWWVGWSNJKBENL-UHFFFAOYSA-N -1 0 422.865 4.359 20 0 HIADRM C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000427649468 856896750 /nfs/dbraw/zinc/89/67/50/856896750.db2.gz YGMFMFWATFFMLS-CVEARBPZSA-N -1 0 404.557 4.473 20 0 HIADRM O=C([O-])[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCCCC3)c2)C[C@H]1c1ccccc1 ZINC000427664028 856900986 /nfs/dbraw/zinc/90/09/86/856900986.db2.gz GYBOUICSTPKBTD-FCHUYYIVSA-N 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C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427709606 856917858 /nfs/dbraw/zinc/91/78/58/856917858.db2.gz KHERMDUVTYMYQP-JEBQAFNWSA-N -1 0 406.309 4.499 20 0 HIADRM COCc1cc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc(C(=O)[O-])c1 ZINC000427712244 856919156 /nfs/dbraw/zinc/91/91/56/856919156.db2.gz VZQTUMITIONISK-UHFFFAOYSA-N -1 0 418.287 4.354 20 0 HIADRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427712871 856919210 /nfs/dbraw/zinc/91/92/10/856919210.db2.gz FNEBFBXUOBEFDC-ZOCIIQOWSA-N -1 0 405.416 4.211 20 0 HIADRM Cc1nc2ccc(S(=O)(=O)[N-]c3nnc(C[C@H](C)CC(C)(C)C)o3)cc2s1 ZINC000427745236 856935167 /nfs/dbraw/zinc/93/51/67/856935167.db2.gz CKPBAJMJDCZZAO-NSHDSACASA-N -1 0 408.549 4.403 20 0 HIADRM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2[nH]nc(-c3ccccc3)c2C)c1 ZINC000427745872 856935429 /nfs/dbraw/zinc/93/54/29/856935429.db2.gz OTILJOLKZXBYMM-UHFFFAOYSA-N -1 0 419.890 4.016 20 0 HIADRM Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000427746655 856936449 /nfs/dbraw/zinc/93/64/49/856936449.db2.gz IIIRFFKWLSADPM-UHFFFAOYSA-N -1 0 416.477 4.017 20 0 HIADRM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)C[C@H]1c1ccc(Cl)cc1 ZINC000427757651 856940912 /nfs/dbraw/zinc/94/09/12/856940912.db2.gz LFVVGSFLWHWREM-VQTJNVASSA-N -1 0 422.868 4.468 20 0 HIADRM Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000427756437 856941308 /nfs/dbraw/zinc/94/13/08/856941308.db2.gz WOEQYMWLHMVIIQ-ZWKOTPCHSA-N -1 0 410.857 4.244 20 0 HIADRM COc1ccc2cc(C(=O)N3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)[O-])C3)c(C)nc2c1 ZINC000427764002 856944415 /nfs/dbraw/zinc/94/44/15/856944415.db2.gz VUCMIIPFHKTSGB-VQTJNVASSA-N -1 0 424.884 4.146 20 0 HIADRM C[C@H]1Cc2c(nc3ccccc3c2C(=O)N2CC[C@@H](C(=O)[O-])C2)/C(=C\c2ccco2)C1 ZINC000427973227 857028393 /nfs/dbraw/zinc/02/83/93/857028393.db2.gz PAGDMKDQQRMIIG-LJSFPGAPSA-N -1 0 416.477 4.497 20 0 HIADRM COc1ccc(C([O-])=C(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000428060368 857059436 /nfs/dbraw/zinc/05/94/36/857059436.db2.gz KXWYYUKRBBKWGU-SNVBAGLBSA-N -1 0 406.809 4.413 20 0 HIADRM O=C([O-])CCCNC(=O)c1ccccc1SCc1ccc(Br)cc1 ZINC000428092110 857069261 /nfs/dbraw/zinc/06/92/61/857069261.db2.gz AGSLFKIYFVEEAE-UHFFFAOYSA-N -1 0 408.317 4.336 20 0 HIADRM O=C([O-])CCCNC(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C3)C2 ZINC000428107217 857073874 /nfs/dbraw/zinc/07/38/74/857073874.db2.gz NEDZXTIGVPIYIH-FUCUVXDHSA-N -1 0 415.374 4.090 20 0 HIADRM COCCOc1ccc(CC(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1 ZINC000430261637 858100733 /nfs/dbraw/zinc/10/07/33/858100733.db2.gz JWVZHFGJCBNKMA-UHFFFAOYSA-N -1 0 414.683 4.015 20 0 HIADRM CCOc1cc(C(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)cc(Cl)c1O ZINC000430454924 858173835 /nfs/dbraw/zinc/17/38/35/858173835.db2.gz NOYSALPYHIKVOS-KNQAVFIVSA-N -1 0 421.896 4.087 20 0 HIADRM O=S(=O)([N-]c1nnc(-c2ccc(F)cc2)o1)c1ccc(C(F)(F)F)cc1Cl ZINC000430632547 858242098 /nfs/dbraw/zinc/24/20/98/858242098.db2.gz YRCMNUFCHFYEAW-UHFFFAOYSA-N -1 0 421.759 4.349 20 0 HIADRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cs1 ZINC000437670406 863011349 /nfs/dbraw/zinc/01/13/49/863011349.db2.gz WADNANZNZPKBGP-UHFFFAOYSA-N -1 0 413.524 4.046 20 0 HIADRM COc1ccc(-c2cc3[n-]c(CN(CCCO)c4ccccc4)nc(=O)c3s2)cc1 ZINC000431004433 858401182 /nfs/dbraw/zinc/40/11/82/858401182.db2.gz RKMDQLMSFBBWGM-UHFFFAOYSA-N -1 0 421.522 4.049 20 0 HIADRM O=C([O-])c1cc(/C=C/c2cnn(CC(F)F)c2)nc2ccc(Br)cc21 ZINC000431153931 858473720 /nfs/dbraw/zinc/47/37/20/858473720.db2.gz XBDRFMWBCAMHNT-HNQUOIGGSA-N -1 0 408.202 4.328 20 0 HIADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3noc(C(F)(F)F)n3)c2)s1 ZINC000431160633 858478738 /nfs/dbraw/zinc/47/87/38/858478738.db2.gz LXMSAOYZJDQVEC-UHFFFAOYSA-N -1 0 403.407 4.235 20 0 HIADRM COC(=O)c1cc([N-]S(=O)(=O)c2sc(C)cc2C)c(C)cc1Br ZINC000431178330 858489611 /nfs/dbraw/zinc/48/96/11/858489611.db2.gz CXDVBYMKWDTLNX-UHFFFAOYSA-N -1 0 418.334 4.023 20 0 HIADRM Cc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)nn1-c1cc(C)cc(C)c1 ZINC000431215530 858509074 /nfs/dbraw/zinc/50/90/74/858509074.db2.gz FUILBHQFKMFYBO-UHFFFAOYSA-N -1 0 417.509 4.056 20 0 HIADRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1OC ZINC000431217679 858511148 /nfs/dbraw/zinc/51/11/48/858511148.db2.gz TYONISALPBZUNY-KBXCAEBGSA-N -1 0 419.905 4.258 20 0 HIADRM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1OC ZINC000431219368 858512337 /nfs/dbraw/zinc/51/23/37/858512337.db2.gz NUJSUZYNIGAKGB-NRFANRHFSA-N -1 0 417.461 4.221 20 0 HIADRM CCOc1ccc(S(=O)(=O)[N-]c2nnc(SCc3cccs3)s2)cc1 ZINC000431314597 858559443 /nfs/dbraw/zinc/55/94/43/858559443.db2.gz ULUOTLMTQOIHED-UHFFFAOYSA-N -1 0 413.571 4.091 20 0 HIADRM O=S(=O)([N-]c1nnc(SCc2cccs2)s1)c1ccc(F)cc1Cl ZINC000431317016 858561068 /nfs/dbraw/zinc/56/10/68/858561068.db2.gz FHHRUGOTFDRTBE-UHFFFAOYSA-N -1 0 421.953 4.485 20 0 HIADRM O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1c(Cl)cc(Cl)cc1Cl ZINC000431319146 858562183 /nfs/dbraw/zinc/56/21/83/858562183.db2.gz OOZWOQUMIJBIQZ-UHFFFAOYSA-N -1 0 412.629 4.318 20 0 HIADRM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3nnc(C(F)(F)F)s3)cc2s1 ZINC000431338792 858571825 /nfs/dbraw/zinc/57/18/25/858571825.db2.gz QBAFOPXCMLXJLY-UHFFFAOYSA-N -1 0 422.479 4.265 20 0 HIADRM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000431428443 858610040 /nfs/dbraw/zinc/61/00/40/858610040.db2.gz DJRMSCODIMGYIW-FQEVSTJZSA-N -1 0 405.479 4.026 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)Cc1cccc2cccnc21)c1ccc(OC(F)(F)F)cc1 ZINC000431432323 858611456 /nfs/dbraw/zinc/61/14/56/858611456.db2.gz HXPXUKRKEIQJRX-QGZVFWFLSA-N -1 0 418.371 4.008 20 0 HIADRM C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)C(=O)[O-] ZINC000431434614 858613255 /nfs/dbraw/zinc/61/32/55/858613255.db2.gz NFSBSGFHDAJJIX-HNNXBMFYSA-N -1 0 414.477 4.173 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)N[C@H](CCC(=O)[O-])c3ccccc3)c2)cn1 ZINC000431438758 858615046 /nfs/dbraw/zinc/61/50/46/858615046.db2.gz NZDRROBAWNHYGN-JOCHJYFZSA-N -1 0 404.466 4.305 20 0 HIADRM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)c1cnc(Cc2ccccc2)s1 ZINC000431439363 858615581 /nfs/dbraw/zinc/61/55/81/858615581.db2.gz CALLNUOSQPZVSL-UHFFFAOYSA-N -1 0 400.887 4.114 20 0 HIADRM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)cnc2ccccc12 ZINC000431440007 858615842 /nfs/dbraw/zinc/61/58/42/858615842.db2.gz XYGPWPLZSRLJJX-SFHVURJKSA-N -1 0 413.271 4.252 20 0 HIADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000431446231 858620114 /nfs/dbraw/zinc/62/01/14/858620114.db2.gz AAIOGJGPVFRZAB-HNNXBMFYSA-N -1 0 411.889 4.197 20 0 HIADRM Cc1cn(-c2ccccc2Cl)nc1C(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000431448956 858621901 /nfs/dbraw/zinc/62/19/01/858621901.db2.gz NFFSMPWJIQHGGL-INIZCTEOSA-N -1 0 411.889 4.197 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000431457800 858626770 /nfs/dbraw/zinc/62/67/70/858626770.db2.gz OVSIOQTXHOQRSK-CQSZACIVSA-N -1 0 420.259 4.049 20 0 HIADRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000431461290 858628487 /nfs/dbraw/zinc/62/84/87/858628487.db2.gz ZTCMGZHTPMFPBD-UHFFFAOYSA-N -1 0 406.438 4.291 20 0 HIADRM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000431465581 858629518 /nfs/dbraw/zinc/62/95/18/858629518.db2.gz OWPWBVZWYJZZRG-UHFFFAOYSA-N -1 0 407.426 4.352 20 0 HIADRM Cc1cc(F)ccc1-n1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)n1 ZINC000431505307 858648097 /nfs/dbraw/zinc/64/80/97/858648097.db2.gz BPNWYHHRALVYND-UHFFFAOYSA-N -1 0 415.471 4.224 20 0 HIADRM O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)o1 ZINC000431506886 858648941 /nfs/dbraw/zinc/64/89/41/858648941.db2.gz PWLFPFQEYJYBCW-UHFFFAOYSA-N -1 0 406.316 4.114 20 0 HIADRM Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C)c(C(=O)[O-])c4)CC3)c2c1C ZINC000431512738 858650394 /nfs/dbraw/zinc/65/03/94/858650394.db2.gz HOKRSTIHBAGHHF-UHFFFAOYSA-N -1 0 424.526 4.170 20 0 HIADRM COc1cccc2[nH]cc(CC(=O)NCc3c(C(=O)[O-])sc4ccsc43)c21 ZINC000431515227 858652325 /nfs/dbraw/zinc/65/23/25/858652325.db2.gz YCPRZUUINKGMIC-UHFFFAOYSA-N -1 0 400.481 4.010 20 0 HIADRM O=C([O-])c1sc2ccsc2c1CNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000431515358 858652479 /nfs/dbraw/zinc/65/24/79/858652479.db2.gz ZKBVLURVZNFSKZ-UHFFFAOYSA-N -1 0 412.492 4.164 20 0 HIADRM O=C([O-])[C@H](CNC(=O)c1cc(F)cc2cccnc21)Cc1cccc2ccccc21 ZINC000431525363 858656826 /nfs/dbraw/zinc/65/68/26/858656826.db2.gz UBPBRWBJIMXZIX-SFHVURJKSA-N -1 0 402.425 4.200 20 0 HIADRM Cc1ccc([C@H](CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C(=O)[O-])cc1 ZINC000431530306 858658617 /nfs/dbraw/zinc/65/86/17/858658617.db2.gz SDJALJGQJHNZJT-SFHVURJKSA-N -1 0 408.502 4.042 20 0 HIADRM CC(C)C[C@@H](CNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC000431546620 858664882 /nfs/dbraw/zinc/66/48/82/858664882.db2.gz QRZHALAJHFDYBC-AWEZNQCLSA-N -1 0 410.392 4.369 20 0 HIADRM Cc1cc(-c2cc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c3c(C)noc3n2)c(C)o1 ZINC000431643059 858708115 /nfs/dbraw/zinc/70/81/15/858708115.db2.gz KXCXFQCKBBURAB-UHFFFAOYSA-N -1 0 423.425 4.280 20 0 HIADRM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3cc(C(=O)[O-])c(C)o3)c12 ZINC000431648468 858711205 /nfs/dbraw/zinc/71/12/05/858711205.db2.gz PPEFPGPLNQRIIZ-UHFFFAOYSA-N -1 0 412.490 4.148 20 0 HIADRM Cc1oc(CN(C)C(=O)c2cc(C)c(OCc3cccnc3)c(C)c2)cc1C(=O)[O-] ZINC000431649816 858711828 /nfs/dbraw/zinc/71/18/28/858711828.db2.gz AHUDCLQXZDZOIJ-UHFFFAOYSA-N -1 0 408.454 4.149 20 0 HIADRM CC(C)CC(=O)Nc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1F ZINC000431652906 858713901 /nfs/dbraw/zinc/71/39/01/858713901.db2.gz HFWWAJHLQUWKOK-UHFFFAOYSA-N -1 0 418.490 4.380 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000431654374 858715709 /nfs/dbraw/zinc/71/57/09/858715709.db2.gz QGXNAZHMZDNXMR-QRWLVFNGSA-N -1 0 423.538 4.091 20 0 HIADRM Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])c12 ZINC000431656864 858718346 /nfs/dbraw/zinc/71/83/46/858718346.db2.gz DFACAILOTISVGD-QKKBWIMNSA-N -1 0 415.449 4.390 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])c2)cn1 ZINC000431662586 858722275 /nfs/dbraw/zinc/72/22/75/858722275.db2.gz DWFCUUNCQPXJEY-VGOFRKELSA-N -1 0 404.466 4.161 20 0 HIADRM C[C@H](C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1)c1ccc(Br)cc1 ZINC000431664646 858722766 /nfs/dbraw/zinc/72/27/66/858722766.db2.gz MITMQBQCANVKRT-LBPRGKRZSA-N -1 0 401.260 4.231 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000431666855 858724954 /nfs/dbraw/zinc/72/49/54/858724954.db2.gz LMZXSBQTQUYKPQ-IIBYNOLFSA-N -1 0 402.450 4.131 20 0 HIADRM Cc1cc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc(C(=O)[O-])c1C ZINC000431668186 858725839 /nfs/dbraw/zinc/72/58/39/858725839.db2.gz VSFCNCDKEVWLHX-UHFFFAOYSA-N -1 0 409.511 4.466 20 0 HIADRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000431681032 858735937 /nfs/dbraw/zinc/73/59/37/858735937.db2.gz WTSJAEFNLKFXPR-UHFFFAOYSA-N -1 0 417.469 4.181 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)c2cccc(Br)c2Cl)C(=O)[O-])c1 ZINC000431689831 858740464 /nfs/dbraw/zinc/74/04/64/858740464.db2.gz ZUHPAZPOLJPZPF-CYBMUJFWSA-N -1 0 410.695 4.084 20 0 HIADRM O=C([O-])COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1Cl ZINC000431765452 858800870 /nfs/dbraw/zinc/80/08/70/858800870.db2.gz CDHNPKUEKRYYDH-UHFFFAOYSA-N -1 0 424.840 4.308 20 0 HIADRM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1-c1ccccn1 ZINC000431769536 858803323 /nfs/dbraw/zinc/80/33/23/858803323.db2.gz CHJFRVUSIIUYHJ-IBGZPJMESA-N -1 0 414.820 4.105 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000431768011 858803410 /nfs/dbraw/zinc/80/34/10/858803410.db2.gz BYZPXGKDJBVSEW-OAQYLSRUSA-N -1 0 402.450 4.193 20 0 HIADRM O=C([O-])[C@]1(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)s2)CCSC1 ZINC000431768774 858803442 /nfs/dbraw/zinc/80/34/42/858803442.db2.gz GLUZNRMGQAIYMO-INIZCTEOSA-N -1 0 402.324 4.412 20 0 HIADRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)cc2cccnc21 ZINC000431777668 858806641 /nfs/dbraw/zinc/80/66/41/858806641.db2.gz BQFXDFBFZWELJA-INIZCTEOSA-N -1 0 407.228 4.106 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc(OC(F)F)cc1 ZINC000431778662 858807379 /nfs/dbraw/zinc/80/73/79/858807379.db2.gz LZWVXKCHFFJWQE-INIZCTEOSA-N -1 0 406.772 4.045 20 0 HIADRM Cc1cc2cc(C(=O)N3Cc4ccccc4[C@H](C(=O)[O-])C3)oc2c(Br)c1 ZINC000431778735 858807539 /nfs/dbraw/zinc/80/75/39/858807539.db2.gz MUKDPEMMJWIJLZ-OAHLLOKOSA-N -1 0 414.255 4.328 20 0 HIADRM Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)c(F)c3)c12 ZINC000431780497 858808287 /nfs/dbraw/zinc/80/82/87/858808287.db2.gz FOIZCVZBKLASBI-INIZCTEOSA-N -1 0 405.813 4.003 20 0 HIADRM Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431780752 858808387 /nfs/dbraw/zinc/80/83/87/858808387.db2.gz GYVHYXVUHDCCET-KRWDZBQOSA-N -1 0 404.850 4.467 20 0 HIADRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc12 ZINC000431781949 858809235 /nfs/dbraw/zinc/80/92/35/858809235.db2.gz MMZUINOSMPFPHD-NSHDSACASA-N -1 0 417.918 4.374 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)cc1 ZINC000431801227 858818599 /nfs/dbraw/zinc/81/85/99/858818599.db2.gz NZJPLQARIPCQAX-NVXWUHKLSA-N -1 0 405.903 4.260 20 0 HIADRM Cc1cc(-c2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)c3c(C)noc3n2)c(C)o1 ZINC000431805524 858820072 /nfs/dbraw/zinc/82/00/72/858820072.db2.gz UJAGCOOLEXKYOL-OAHLLOKOSA-N -1 0 411.458 4.125 20 0 HIADRM Cc1cc(F)ccc1-n1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)n1 ZINC000431808882 858822134 /nfs/dbraw/zinc/82/21/34/858822134.db2.gz KXQOCPFRVHTYPY-KRWDZBQOSA-N -1 0 419.815 4.058 20 0 HIADRM Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431812223 858823641 /nfs/dbraw/zinc/82/36/41/858823641.db2.gz KOJGKBCLZIKZPF-KRWDZBQOSA-N -1 0 418.856 4.059 20 0 HIADRM COc1ccc([C@@H](NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)C(=O)[O-])cc1 ZINC000431816694 858826406 /nfs/dbraw/zinc/82/64/06/858826406.db2.gz YLSBQBXWAZMVBX-CQSZACIVSA-N -1 0 424.400 4.188 20 0 HIADRM Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431856278 858841547 /nfs/dbraw/zinc/84/15/47/858841547.db2.gz VDAFWTQTSNBGCK-HSZRJFAPSA-N -1 0 407.514 4.184 20 0 HIADRM CC(=O)CCc1ccc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431859410 858842549 /nfs/dbraw/zinc/84/25/49/858842549.db2.gz FYWMEXAORDEZGF-UZUQRXQVSA-N -1 0 419.477 4.071 20 0 HIADRM CC(=O)CCc1ccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431859409 858842557 /nfs/dbraw/zinc/84/25/57/858842557.db2.gz FYWMEXAORDEZGF-SBUREZEXSA-N -1 0 419.477 4.071 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1cnn2c1nccc2-c1ccccc1)c1ccc2ccccc2c1 ZINC000431863796 858844132 /nfs/dbraw/zinc/84/41/32/858844132.db2.gz HJTSPPHJHKGCSN-JOCHJYFZSA-N -1 0 422.444 4.105 20 0 HIADRM Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431876165 858851618 /nfs/dbraw/zinc/85/16/18/858851618.db2.gz ADLNPYYHIIDOAH-HXUWFJFHSA-N -1 0 402.454 4.030 20 0 HIADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)sc1Br ZINC000431880745 858853876 /nfs/dbraw/zinc/85/38/76/858853876.db2.gz XORFAKMWJXBEFH-OAHLLOKOSA-N -1 0 420.284 4.228 20 0 HIADRM CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000431884844 858855414 /nfs/dbraw/zinc/85/54/14/858855414.db2.gz WKEWJNJAWXFNAE-UHFFFAOYSA-N -1 0 409.914 4.025 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccc2ccccc2c1 ZINC000431886520 858856057 /nfs/dbraw/zinc/85/60/57/858856057.db2.gz FJNHZWGWKMREIU-KRWDZBQOSA-N -1 0 402.219 4.297 20 0 HIADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(C)n1-c1nccs1 ZINC000431888352 858856990 /nfs/dbraw/zinc/85/69/90/858856990.db2.gz BVNTWLJACZTSDO-LJQANCHMSA-N -1 0 405.479 4.260 20 0 HIADRM CCCc1c([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cnn1-c1ccc(C)cc1 ZINC000431901065 858861866 /nfs/dbraw/zinc/86/18/66/858861866.db2.gz KQISKRSLTASBLC-UHFFFAOYSA-N -1 0 403.479 4.082 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)C2(c3cccc(Br)c3)CC2)cc1)C(=O)[O-] ZINC000431980141 858900553 /nfs/dbraw/zinc/90/05/53/858900553.db2.gz IFWLLPDWEODGAY-ZDUSSCGKSA-N -1 0 402.288 4.383 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)CSCc2coc(-c3ccccc3)n2)cc1)C(=O)[O-] ZINC000431982237 858901819 /nfs/dbraw/zinc/90/18/19/858901819.db2.gz RGFQHCYYMCNOEP-OAHLLOKOSA-N -1 0 410.495 4.477 20 0 HIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000431986122 858905386 /nfs/dbraw/zinc/90/53/86/858905386.db2.gz JVBXEFIMWMPDQJ-UHFFFAOYSA-N -1 0 414.259 4.407 20 0 HIADRM CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)c12 ZINC000431991275 858909141 /nfs/dbraw/zinc/90/91/41/858909141.db2.gz IYVUZIZJDLRBAT-UHFFFAOYSA-N -1 0 423.469 4.405 20 0 HIADRM Cc1ccccc1-c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000431992286 858910293 /nfs/dbraw/zinc/91/02/93/858910293.db2.gz FQPPFLWBMPORRR-HXUWFJFHSA-N -1 0 406.486 4.067 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1ccc3sccc3c1)CC2 ZINC000431995365 858911704 /nfs/dbraw/zinc/91/17/04/858911704.db2.gz YSZRGOYZRKKEBK-KRWDZBQOSA-N -1 0 411.479 4.133 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1)C(=O)[O-] ZINC000431997543 858913932 /nfs/dbraw/zinc/91/39/32/858913932.db2.gz 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CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237105214 853965151 /nfs/dbraw/zinc/96/51/51/853965151.db2.gz MWBJEVHIMNXDNF-UHFFFAOYSA-N -1 0 417.509 4.347 20 0 HIADRM CN(C(=O)c1cccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c1)c1ccccc1 ZINC000237104358 853965232 /nfs/dbraw/zinc/96/52/32/853965232.db2.gz NFRNFDRVGFJTQY-NTCAYCPXSA-N -1 0 400.434 4.313 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000237103716 853965267 /nfs/dbraw/zinc/96/52/67/853965267.db2.gz ZBSZSEGFBCPBAO-JOCHJYFZSA-N -1 0 416.477 4.217 20 0 HIADRM COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])ccc21 ZINC000237134907 853970677 /nfs/dbraw/zinc/97/06/77/853970677.db2.gz MNXBXWUOPVGTGL-OPAMFIHVSA-N -1 0 408.498 4.096 20 0 HIADRM COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000237159583 853974565 /nfs/dbraw/zinc/97/45/65/853974565.db2.gz MVLKVPKYBAWFKO-MRXNPFEDSA-N -1 0 404.260 4.133 20 0 HIADRM COc1ccccc1C[C@H](CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237260746 853993423 /nfs/dbraw/zinc/99/34/23/853993423.db2.gz SKZKBNWCCYFTNW-OAHLLOKOSA-N -1 0 423.431 4.051 20 0 HIADRM COc1ccc([C@@H](CNC(=O)c2cccc(C(=O)[O-])c2)c2c[nH]c3ccccc32)cc1 ZINC000237321376 854005957 /nfs/dbraw/zinc/00/59/57/854005957.db2.gz LIHYOPRHZCNVCH-OAQYLSRUSA-N -1 0 414.461 4.437 20 0 HIADRM COc1cccc([C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000237324343 854006701 /nfs/dbraw/zinc/00/67/01/854006701.db2.gz WGCRHNLSQWMGBA-ACJLOTCBSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccc(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c(C)c1 ZINC000237324187 854006781 /nfs/dbraw/zinc/00/67/81/854006781.db2.gz UYZXAXGDISOTNR-UHFFFAOYSA-N -1 0 407.470 4.076 20 0 HIADRM COc1ccc(CNC(=O)c2csc(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000237337628 854009198 /nfs/dbraw/zinc/00/91/98/854009198.db2.gz OYSMPWSBVAVKRD-UHFFFAOYSA-N -1 0 402.859 4.100 20 0 HIADRM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000237350849 854011679 /nfs/dbraw/zinc/01/16/79/854011679.db2.gz CHMHTXAWYSFXSS-GFCCVEGCSA-N -1 0 417.387 4.389 20 0 HIADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000237363444 854014613 /nfs/dbraw/zinc/01/46/13/854014613.db2.gz RKLCVVNLYZCCCS-SJCJKPOMSA-N -1 0 413.367 4.235 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2csc(Br)c2)cc1 ZINC000237363970 854014621 /nfs/dbraw/zinc/01/46/21/854014621.db2.gz VZDAXKZONRECFC-LBPRGKRZSA-N -1 0 400.319 4.178 20 0 HIADRM C[C@@H](Cc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237364290 854014628 /nfs/dbraw/zinc/01/46/28/854014628.db2.gz JDDHWKGKVYUMBS-YVEFUNNKSA-N -1 0 408.267 4.099 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2csc(-c3ccccc3Cl)n2)sc1C(=O)[O-] ZINC000237369422 854016670 /nfs/dbraw/zinc/01/66/70/854016670.db2.gz CJWXQPWFVWPSDY-SECBINFHSA-N -1 0 407.904 4.418 20 0 HIADRM C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1F ZINC000237371806 854017809 /nfs/dbraw/zinc/01/78/09/854017809.db2.gz YFQBLUMIYSKHII-PXAZEXFGSA-N -1 0 408.267 4.414 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2oc3ccc(Br)cc3c2C)sc1C(=O)[O-] ZINC000237376086 854017913 /nfs/dbraw/zinc/01/79/13/854017913.db2.gz PBXDXINKSOCCGO-SECBINFHSA-N -1 0 423.288 4.458 20 0 HIADRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000237383388 854018614 /nfs/dbraw/zinc/01/86/14/854018614.db2.gz CGCDMFFSQPMHAI-LAUBAEHRSA-N -1 0 408.498 4.207 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000237377862 854018646 /nfs/dbraw/zinc/01/86/46/854018646.db2.gz OTWGYXPJMVFRJS-SNVBAGLBSA-N -1 0 401.381 4.340 20 0 HIADRM C[C@](Cc1nc2ccccc2s1)(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000237389689 854020417 /nfs/dbraw/zinc/02/04/17/854020417.db2.gz DOGUOHMUPSZPKG-DHIUTWEWSA-N -1 0 408.523 4.120 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(OCc2cscn2)c1)C(=O)[O-] ZINC000237411206 854026518 /nfs/dbraw/zinc/02/65/18/854026518.db2.gz APAHCJOVQQCWTL-MRXNPFEDSA-N -1 0 410.495 4.085 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000237413629 854026852 /nfs/dbraw/zinc/02/68/52/854026852.db2.gz VCRHSDBCXBPBEK-MRXNPFEDSA-N -1 0 415.902 4.398 20 0 HIADRM COc1ccc(-c2ccc(C(=O)NC[C@H](Cc3ccccc3)C(=O)[O-])c(F)c2)cc1 ZINC000237416765 854027432 /nfs/dbraw/zinc/02/74/32/854027432.db2.gz BXZMWHSMOYDWEO-IBGZPJMESA-N -1 0 407.441 4.175 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000237416295 854027933 /nfs/dbraw/zinc/02/79/33/854027933.db2.gz AOFZDJWRMVMXJQ-QGZVFWFLSA-N -1 0 415.902 4.193 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2nc3ccccc3s2)cc1 ZINC000237419349 854028359 /nfs/dbraw/zinc/02/83/59/854028359.db2.gz NVYCYUULTKSGDS-INIZCTEOSA-N -1 0 400.525 4.283 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2csc(Cc3ccccc3)n2)cc1 ZINC000237417463 854028814 /nfs/dbraw/zinc/02/88/14/854028814.db2.gz SBCGFZNBQGWPNZ-QGZVFWFLSA-N -1 0 412.536 4.402 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000237420557 854028823 /nfs/dbraw/zinc/02/88/23/854028823.db2.gz KADGZVNIPUNDSZ-SFHVURJKSA-N -1 0 414.458 4.077 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000237451790 854036117 /nfs/dbraw/zinc/03/61/17/854036117.db2.gz HGAVMYZPTCOGAA-JTQLQIEISA-N -1 0 401.875 4.356 20 0 HIADRM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237456752 854037149 /nfs/dbraw/zinc/03/71/49/854037149.db2.gz DROVWUFBDSHEAD-IAGOWNOFSA-N -1 0 422.525 4.383 20 0 HIADRM C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000237468940 854039233 /nfs/dbraw/zinc/03/92/33/854039233.db2.gz JLVDSWPIPWJUHU-SNVBAGLBSA-N -1 0 412.667 4.136 20 0 HIADRM C[C@H](C(=O)Nc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1)c1ccccc1F ZINC000237471969 854040459 /nfs/dbraw/zinc/04/04/59/854040459.db2.gz DFDGEPGDSQABGX-NSHDSACASA-N -1 0 421.350 4.471 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccc(Br)s1 ZINC000237492990 854044043 /nfs/dbraw/zinc/04/40/43/854044043.db2.gz IHAYGWXADNEMQQ-LLVKDONJSA-N -1 0 412.305 4.496 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)CCCOc1ccccc1Br)c1ccccc1 ZINC000237498351 854045012 /nfs/dbraw/zinc/04/50/12/854045012.db2.gz HIGHJEBLWXLTHY-IFXJQAMLSA-N -1 0 420.303 4.186 20 0 HIADRM C[C@@H](C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1)c1cc2ccccc2o1 ZINC000237496439 854045331 /nfs/dbraw/zinc/04/53/31/854045331.db2.gz VNJMQLKNHBDYJN-OAHLLOKOSA-N -1 0 420.465 4.112 20 0 HIADRM C[C@H](CCc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237504199 854046374 /nfs/dbraw/zinc/04/63/74/854046374.db2.gz DPKGMSNDBXOOGN-FZKQIMNGSA-N -1 0 422.294 4.489 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)sc1C(=O)[O-] ZINC000237525499 854049575 /nfs/dbraw/zinc/04/95/75/854049575.db2.gz HTEJZNMJWHBEGX-RKDXNWHRSA-N -1 0 403.287 4.101 20 0 HIADRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000237528084 854050229 /nfs/dbraw/zinc/05/02/29/854050229.db2.gz FKEVVJPRWSASRK-GFCCVEGCSA-N -1 0 408.267 4.423 20 0 HIADRM Cc1c(I)cccc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000237532076 854050324 /nfs/dbraw/zinc/05/03/24/854050324.db2.gz DGGDTVJOGHIGDZ-UHFFFAOYSA-N -1 0 415.614 4.204 20 0 HIADRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000237527491 854050581 /nfs/dbraw/zinc/05/05/81/854050581.db2.gz HAJUFKBIECDUDX-VFVRVIDISA-N -1 0 422.294 4.345 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000237539731 854051122 /nfs/dbraw/zinc/05/11/22/854051122.db2.gz VDJZMCZYVFAIMU-SCLBCKFNSA-N -1 0 417.387 4.083 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCCc1ccc(Br)s1)C(=O)[O-] ZINC000237556009 854054396 /nfs/dbraw/zinc/05/43/96/854054396.db2.gz IUQCPONXZJSTHR-JTQLQIEISA-N -1 0 414.346 4.048 20 0 HIADRM Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000237566957 854056187 /nfs/dbraw/zinc/05/61/87/854056187.db2.gz YALDZPDKOVMRQY-QGZVFWFLSA-N -1 0 416.399 4.235 20 0 HIADRM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000237569400 854056489 /nfs/dbraw/zinc/05/64/89/854056489.db2.gz HSBBYZHOBLRGDF-UHFFFAOYSA-N -1 0 404.344 4.278 20 0 HIADRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccccc1C(=O)N1CCCCC1)C1CCCCC1 ZINC000237579232 854057425 /nfs/dbraw/zinc/05/74/25/854057425.db2.gz GOSIMEAJTGYKDV-QHCPKHFHSA-N -1 0 400.519 4.313 20 0 HIADRM C[C@H](CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000237583259 854058610 /nfs/dbraw/zinc/05/86/10/854058610.db2.gz PSUPAAZJFQKIQB-OAHLLOKOSA-N -1 0 411.889 4.045 20 0 HIADRM Cc1nc([C@H](C)NC(=O)c2cc(Cl)ccc2Br)sc1C(=O)[O-] ZINC000237586221 854059809 /nfs/dbraw/zinc/05/98/09/854059809.db2.gz UAWUPPLVKVYTME-ZETCQYMHSA-N -1 0 403.685 4.057 20 0 HIADRM Cc1ccc(O[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)c(Br)c1 ZINC000237606832 854060588 /nfs/dbraw/zinc/06/05/88/854060588.db2.gz JIXSGVOMJSNWRJ-YOEHRIQHSA-N -1 0 420.303 4.165 20 0 HIADRM Cc1cc(O[C@@H](C)C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc1Cl ZINC000237611848 854061499 /nfs/dbraw/zinc/06/14/99/854061499.db2.gz VRPQXUZDOBROHI-INIZCTEOSA-N -1 0 401.890 4.061 20 0 HIADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1NC(=O)c1ccccc1F ZINC000237618042 854063987 /nfs/dbraw/zinc/06/39/87/854063987.db2.gz YLNVCQUXJVTHMU-UHFFFAOYSA-N -1 0 410.376 4.476 20 0 HIADRM Cc1nc(CCC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)oc1-c1ccccc1 ZINC000237629535 854065008 /nfs/dbraw/zinc/06/50/08/854065008.db2.gz BEXDEUUFNKTXOX-UHFFFAOYSA-N -1 0 408.454 4.465 20 0 HIADRM C[C@]1(C(=O)[O-])CCN(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000237642912 854066988 /nfs/dbraw/zinc/06/69/88/854066988.db2.gz QHCQPGZLSCBZAU-CTNGQTDRSA-N -1 0 403.931 4.486 20 0 HIADRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237646700 854067660 /nfs/dbraw/zinc/06/76/60/854067660.db2.gz IICVEVZWPJAYRY-KRWDZBQOSA-N -1 0 416.886 4.240 20 0 HIADRM Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237659291 854069613 /nfs/dbraw/zinc/06/96/13/854069613.db2.gz GXLDGUWOHPLKOM-UHFFFAOYSA-N -1 0 420.534 4.301 20 0 HIADRM Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000237660050 854069642 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CCN(Cc1cccs1)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000236987955 853947065 /nfs/dbraw/zinc/94/70/65/853947065.db2.gz NUSBFMKXPXVIBK-UHFFFAOYSA-N -1 0 411.527 4.230 20 0 HIADRM CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237002028 853949082 /nfs/dbraw/zinc/94/90/82/853949082.db2.gz SARSDAJLAZOAMQ-UHFFFAOYSA-N -1 0 407.451 4.436 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000237021947 853952611 /nfs/dbraw/zinc/95/26/11/853952611.db2.gz AJGDSLRBPRADSX-UHFFFAOYSA-N -1 0 413.861 4.070 20 0 HIADRM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000237027134 853953509 /nfs/dbraw/zinc/95/35/09/853953509.db2.gz LWWJCCUNDNKUED-UHFFFAOYSA-N -1 0 413.477 4.315 20 0 HIADRM CCOc1ccc(C[C@@H](CNC(=O)c2sc(C3CCCC3)nc2C)C(=O)[O-])cc1 ZINC000237038472 853955420 /nfs/dbraw/zinc/95/54/20/853955420.db2.gz AQNKKEXLLAVKKR-KRWDZBQOSA-N -1 0 416.543 4.181 20 0 HIADRM Cc1ccccc1-n1ncc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1C(F)(F)F ZINC000237074615 853959909 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423.431 4.267 20 0 HIADRM COc1ccc2oc(C(=O)N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)c(C)c2c1 ZINC000237289666 853997979 /nfs/dbraw/zinc/99/79/79/853997979.db2.gz WTQSGUAOHWNFAS-UHFFFAOYSA-N -1 0 404.422 4.128 20 0 HIADRM COc1ccc(CNC(=O)Cc2csc(-c3ccc(Cl)s3)n2)cc1C(=O)[O-] ZINC000237316854 854006024 /nfs/dbraw/zinc/00/60/24/854006024.db2.gz SOAQZHUOSPOPKN-UHFFFAOYSA-N -1 0 422.915 4.091 20 0 HIADRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237322957 854006578 /nfs/dbraw/zinc/00/65/78/854006578.db2.gz QAEQKXJYZWODAB-JSGCOSHPSA-N -1 0 400.288 4.013 20 0 HIADRM COc1ccc(CNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)cc1C(=O)[O-] ZINC000237330416 854007648 /nfs/dbraw/zinc/00/76/48/854007648.db2.gz WVFKNPNMRRPTEW-INIZCTEOSA-N -1 0 406.482 4.351 20 0 HIADRM COc1cc(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)ccc1C(=O)[O-] ZINC000237331533 854007742 /nfs/dbraw/zinc/00/77/42/854007742.db2.gz LVJYNILBLNQHOC-UHFFFAOYSA-N -1 0 408.888 4.162 20 0 HIADRM COc1cc(CNC(=O)CCCc2cc(Cl)sc2Cl)ccc1C(=O)[O-] ZINC000237338125 854009414 /nfs/dbraw/zinc/00/94/14/854009414.db2.gz IRNYOXPTUFOVFK-UHFFFAOYSA-N -1 0 402.299 4.401 20 0 HIADRM C[C@@H](CCc1ccccc1F)C(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237352546 854011761 /nfs/dbraw/zinc/01/17/61/854011761.db2.gz FTOWSRFXQMMNPS-SCLBCKFNSA-N -1 0 422.294 4.489 20 0 HIADRM COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237357183 854012375 /nfs/dbraw/zinc/01/23/75/854012375.db2.gz DIEIQTFOYKZXFL-UHFFFAOYSA-N -1 0 413.433 4.498 20 0 HIADRM C[C@@H](CCc1cccn1C)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000237354981 854012686 /nfs/dbraw/zinc/01/26/86/854012686.db2.gz FLVCOKHZECIKNN-HNNXBMFYSA-N -1 0 412.511 4.360 20 0 HIADRM C[C@@](Cc1nc2ccccc2s1)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000237360778 854013826 /nfs/dbraw/zinc/01/38/26/854013826.db2.gz IJRMSELDIPZYSY-HJPURHCSSA-N -1 0 408.523 4.120 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2sccc2Br)cc1 ZINC000237364258 854014602 /nfs/dbraw/zinc/01/46/02/854014602.db2.gz WOSGQXOULBHZGH-LBPRGKRZSA-N -1 0 400.319 4.178 20 0 HIADRM C[C@@H](Sc1ccccc1)C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237363901 854014891 /nfs/dbraw/zinc/01/48/91/854014891.db2.gz UMXJQFWGEVJTGS-MLGOLLRUSA-N -1 0 408.317 4.262 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2ccc(Br)cc21)C(=O)[O-] ZINC000237368408 854015698 /nfs/dbraw/zinc/01/56/98/854015698.db2.gz KEFOREWTWPOVHG-LLVKDONJSA-N -1 0 406.301 4.217 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)N1CCc2c(Br)cccc2C1)C(=O)[O-] ZINC000237369675 854016455 /nfs/dbraw/zinc/01/64/55/854016455.db2.gz JHOFULQXGDIRLY-GFCCVEGCSA-N -1 0 420.328 4.213 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCCc1ccc(Br)s1)C(=O)[O-] ZINC000237374786 854017606 /nfs/dbraw/zinc/01/76/06/854017606.db2.gz IUQCPONXZJSTHR-SNVBAGLBSA-N -1 0 414.346 4.048 20 0 HIADRM C[C@H](CC1CCCCC1)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237374292 854017662 /nfs/dbraw/zinc/01/76/62/854017662.db2.gz HGOHAJCRQJYXNO-MRXNPFEDSA-N -1 0 400.519 4.168 20 0 HIADRM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237384401 854019538 /nfs/dbraw/zinc/01/95/38/854019538.db2.gz GRQAEPPMDWJJEO-MLGOLLRUSA-N -1 0 409.408 4.240 20 0 HIADRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)C1 ZINC000237390064 854020152 /nfs/dbraw/zinc/02/01/52/854020152.db2.gz DYHZEFXRGREWJI-JOCHJYFZSA-N -1 0 409.873 4.130 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2nc(-c3cccs3)oc2C)cc1 ZINC000237410042 854026928 /nfs/dbraw/zinc/02/69/28/854026928.db2.gz GFZOZSHAZNLWLB-MRXNPFEDSA-N -1 0 416.524 4.308 20 0 HIADRM COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000237414028 854026951 /nfs/dbraw/zinc/02/69/51/854026951.db2.gz ZSYBFTMEKPWZBZ-AWEZNQCLSA-N -1 0 403.425 4.357 20 0 HIADRM COc1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(F)c2)c(F)c1 ZINC000237417433 854027517 /nfs/dbraw/zinc/02/75/17/854027517.db2.gz FRDJJOJDJLCZQF-NRFANRHFSA-N -1 0 411.404 4.066 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1 ZINC000237417024 854027820 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C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)c1ccccc1 ZINC000237533804 854051157 /nfs/dbraw/zinc/05/11/57/854051157.db2.gz LRDCLXUNPIYYJA-DYZYQPBXSA-N -1 0 419.250 4.261 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237534624 854051214 /nfs/dbraw/zinc/05/12/14/854051214.db2.gz OLLUKQFCROFFKR-QWHCGFSZSA-N -1 0 400.338 4.033 20 0 HIADRM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1 ZINC000237533906 854051618 /nfs/dbraw/zinc/05/16/18/854051618.db2.gz RKIGIKUZDOGOGQ-APPDUMDISA-N -1 0 401.260 4.122 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N1CCC(Cc2cccc(F)c2)CC1)C(=O)[O-] ZINC000237550899 854053461 /nfs/dbraw/zinc/05/34/61/854053461.db2.gz TZVNDZIQHSEGMF-HNNXBMFYSA-N -1 0 401.503 4.486 20 0 HIADRM Cc1c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000237579895 854058069 /nfs/dbraw/zinc/05/80/69/854058069.db2.gz VEVCXTXJUSCYFA-UHFFFAOYSA-N -1 0 415.902 4.404 20 0 HIADRM C[C@@](CC(=O)[O-])(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)C1CCCCC1 ZINC000237580736 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Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NC3(CC(=O)[O-])CCC3)cc12 ZINC000431646621 858709799 /nfs/dbraw/zinc/70/97/99/858709799.db2.gz XSJFDZYMWUEHMM-UHFFFAOYSA-N -1 0 403.891 4.176 20 0 HIADRM Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)c12 ZINC000431652488 858714658 /nfs/dbraw/zinc/71/46/58/858714658.db2.gz VHHYBFRLZUVBFE-UHFFFAOYSA-N -1 0 417.421 4.222 20 0 HIADRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)C1CCN(c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000431654372 858715241 /nfs/dbraw/zinc/71/52/41/858715241.db2.gz QGXNAZHMZDNXMR-FOIQADDNSA-N -1 0 423.538 4.091 20 0 HIADRM Cc1ccc(-c2cc(C(=O)NC3(CC(=O)[O-])CCC3)c3cnn(C(C)C)c3n2)cc1 ZINC000431654459 858715655 /nfs/dbraw/zinc/71/56/55/858715655.db2.gz QOCRFCMNJHILQL-UHFFFAOYSA-N -1 0 406.486 4.115 20 0 HIADRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CCCn1ccc2cc(Cl)ccc21 ZINC000431653559 858715763 /nfs/dbraw/zinc/71/57/63/858715763.db2.gz KYMYEJOLFGTKQM-UHFFFAOYSA-N -1 0 400.862 4.485 20 0 HIADRM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000431655671 858716313 /nfs/dbraw/zinc/71/63/13/858716313.db2.gz ONELOOBWSMILSD-MRXNPFEDSA-N -1 0 404.466 4.201 20 0 HIADRM O=C([O-])COc1ccc(NC(=O)c2cccc(Oc3cnccn3)c2)c2ccccc12 ZINC000431654952 858716497 /nfs/dbraw/zinc/71/64/97/858716497.db2.gz VDBOBVBKIKWXMH-UHFFFAOYSA-N -1 0 415.405 4.138 20 0 HIADRM CC(C)c1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000431656040 858716998 /nfs/dbraw/zinc/71/69/98/858716998.db2.gz UBKCMVFVKHXTBO-FOIQADDNSA-N -1 0 408.502 4.327 20 0 HIADRM Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000431766118 858801639 /nfs/dbraw/zinc/80/16/39/858801639.db2.gz GEQHPADNCUVKML-KRWDZBQOSA-N -1 0 422.243 4.182 20 0 HIADRM O=C([O-])C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)c1ccc(Cl)cc1 ZINC000431770001 858804124 /nfs/dbraw/zinc/80/41/24/858804124.db2.gz JMTVPTZQGATFNK-HNNXBMFYSA-N -1 0 414.658 4.116 20 0 HIADRM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc(Cl)c(F)c1 ZINC000431775802 858806917 /nfs/dbraw/zinc/80/69/17/858806917.db2.gz ZEJPYHKGXCYGTJ-SFHVURJKSA-N -1 0 400.793 4.222 20 0 HIADRM Cc1ccc(-c2cc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)c3cnn(C(C)C)c3n2)cc1 ZINC000431780876 858808408 /nfs/dbraw/zinc/80/84/08/858808408.db2.gz HZNBYSUINASLTJ-INIZCTEOSA-N -1 0 420.513 4.313 20 0 HIADRM O=C([O-])c1ccc(F)c(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000431781556 858809278 /nfs/dbraw/zinc/80/92/78/858809278.db2.gz COCSSABXFPBDRJ-UHFFFAOYSA-N -1 0 405.735 4.032 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CSc1cccc(Br)c1 ZINC000431789900 858812536 /nfs/dbraw/zinc/81/25/36/858812536.db2.gz USAIXLGVZRSSCG-MRXNPFEDSA-N -1 0 408.317 4.182 20 0 HIADRM O=C([O-])CCCOc1ccc(NC(=O)c2csc(Cc3cccc(F)c3)n2)cc1 ZINC000431792174 858814421 /nfs/dbraw/zinc/81/44/21/858814421.db2.gz UMEHICJNNRYRGL-UHFFFAOYSA-N -1 0 414.458 4.369 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)c2)cn1 ZINC000431794447 858815284 /nfs/dbraw/zinc/81/52/84/858815284.db2.gz LMUXZPFINLQTSA-UHFFFAOYSA-N -1 0 420.465 4.465 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)cc1 ZINC000431798883 858816939 /nfs/dbraw/zinc/81/69/39/858816939.db2.gz GTJHODSPCWSBMZ-OAHLLOKOSA-N -1 0 414.527 4.146 20 0 HIADRM COc1ccc2nc(C3CC3)cc(C(=O)N3CCc4ccc(C(=O)[O-])cc4C3)c2c1 ZINC000431800792 858817480 /nfs/dbraw/zinc/81/74/80/858817480.db2.gz MPZAUADEVSZMFD-UHFFFAOYSA-N -1 0 402.450 4.018 20 0 HIADRM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C[C@H](C)C(=O)[O-])C3CC3)cc12 ZINC000431801738 858818527 /nfs/dbraw/zinc/81/85/27/858818527.db2.gz POXXNWWQUICCMU-NSHDSACASA-N -1 0 417.918 4.374 20 0 HIADRM COc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1-c1ccccn1 ZINC000431808561 858821890 /nfs/dbraw/zinc/82/18/90/858821890.db2.gz KOKAWULNZFVLJZ-UHFFFAOYSA-N -1 0 412.829 4.126 20 0 HIADRM Cc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(C)cc1Br ZINC000431816405 858825453 /nfs/dbraw/zinc/82/54/53/858825453.db2.gz WGOJQNKEWLWBJJ-UHFFFAOYSA-N -1 0 412.667 4.435 20 0 HIADRM CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431878732 858852520 /nfs/dbraw/zinc/85/25/20/858852520.db2.gz APYSSKNEZKOHSZ-QKKBWIMNSA-N -1 0 422.506 4.221 20 0 HIADRM CC(C)(C)C(=O)NCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000431880142 858853135 /nfs/dbraw/zinc/85/31/35/858853135.db2.gz GTFGQKKAPGGAFH-OAQYLSRUSA-N -1 0 418.493 4.058 20 0 HIADRM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)ccc1OC(F)F ZINC000431885458 858856253 /nfs/dbraw/zinc/85/62/53/858856253.db2.gz YNMHDPYAESJYDQ-GOSISDBHSA-N -1 0 401.365 4.006 20 0 HIADRM Cc1cccc(-n2ncc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c2C(F)(F)F)c1 ZINC000431974100 858897403 /nfs/dbraw/zinc/89/74/03/858897403.db2.gz QBRAQSFALSKCTL-UHFFFAOYSA-N -1 0 403.360 4.079 20 0 HIADRM CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000431979538 858899638 /nfs/dbraw/zinc/89/96/38/858899638.db2.gz DYVVTIZKRXNNNF-ZIAGYGMSSA-N -1 0 400.500 4.028 20 0 HIADRM Cc1ccc(-c2nc(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(F)c3)cs2)c(C)c1 ZINC000431983018 858903503 /nfs/dbraw/zinc/90/35/03/858903503.db2.gz CULGBPQMFHSJHS-UHFFFAOYSA-N -1 0 416.449 4.432 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1)C(=O)[O-] ZINC000431985652 858904684 /nfs/dbraw/zinc/90/46/84/858904684.db2.gz HCSCCZGOKMOXCJ-ZDUSSCGKSA-N -1 0 414.408 4.454 20 0 HIADRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)[C@@H](C)CC1CCCCC1)CC2 ZINC000431986588 858905620 /nfs/dbraw/zinc/90/56/20/858905620.db2.gz MIIJMBHKUHMRFX-KXBFYZLASA-N -1 0 403.519 4.211 20 0 HIADRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)[C@@H](C)c1ccc(Cl)s1)CC2 ZINC000431992121 858908590 /nfs/dbraw/zinc/90/85/90/858908590.db2.gz MPCWNUJQDSBNLI-SMDDNHRTSA-N -1 0 423.918 4.123 20 0 HIADRM C[C@H](Cc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1)C(=O)[O-] ZINC000431993094 858910492 /nfs/dbraw/zinc/91/04/92/858910492.db2.gz RHOSGHFEURJPSP-LLVKDONJSA-N -1 0 401.260 4.446 20 0 HIADRM C[C@@H](Cc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1)C(=O)[O-] ZINC000431998754 858914035 /nfs/dbraw/zinc/91/40/35/858914035.db2.gz ANOFEULZPPAVBM-NSHDSACASA-N -1 0 401.260 4.446 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000432000039 858914919 /nfs/dbraw/zinc/91/49/19/858914919.db2.gz SBFREVQYNYQOJL-UHFFFAOYSA-N -1 0 422.840 4.469 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000432004010 858918613 /nfs/dbraw/zinc/91/86/13/858918613.db2.gz WJLBCGVAIWOTTJ-CQSZACIVSA-N -1 0 409.461 4.073 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C(C)C)c32)sc1C(=O)[O-] ZINC000432004731 858918900 /nfs/dbraw/zinc/91/89/00/858918900.db2.gz CKZKLTUDEAJGMP-SNVBAGLBSA-N -1 0 414.487 4.178 20 0 HIADRM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cn1 ZINC000432075987 858971798 /nfs/dbraw/zinc/97/17/98/858971798.db2.gz KHMWKDZIKKZKCY-SECBINFHSA-N -1 0 404.717 4.071 20 0 HIADRM O=C([O-])[C@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)[C@@H]1CCCOC1 ZINC000432089344 858981337 /nfs/dbraw/zinc/98/13/37/858981337.db2.gz OBUAZQYFSSRGPK-FUXBKTLASA-N -1 0 422.717 4.471 20 0 HIADRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000432090435 858982490 /nfs/dbraw/zinc/98/24/90/858982490.db2.gz RRFMHFWQXVCIKE-NXHRZFHOSA-N -1 0 405.416 4.401 20 0 HIADRM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000432092729 858984198 /nfs/dbraw/zinc/98/41/98/858984198.db2.gz YYMQIUBLLXZIDX-OAHLLOKOSA-N -1 0 404.532 4.488 20 0 HIADRM CCCOc1ccc(Oc2ncccc2CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000432099631 858988986 /nfs/dbraw/zinc/98/89/86/858988986.db2.gz SCCPDJUPMOIHHC-DLBZAZTESA-N -1 0 412.486 4.170 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1)C(=O)[O-] ZINC000432102921 858991374 /nfs/dbraw/zinc/99/13/74/858991374.db2.gz NMZULXPSNQTVCV-CQSZACIVSA-N -1 0 421.478 4.151 20 0 HIADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)C1 ZINC000432119363 859000596 /nfs/dbraw/zinc/00/05/96/859000596.db2.gz DSOOOULUVGXEGG-NZSAHSFTSA-N -1 0 417.550 4.180 20 0 HIADRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)C1 ZINC000432121415 859001692 /nfs/dbraw/zinc/00/16/92/859001692.db2.gz WDZSENJYDLJXMP-QWHCGFSZSA-N -1 0 419.275 4.466 20 0 HIADRM COCCOc1c(Cl)cc(NC(=O)CCc2ccccc2C(=O)[O-])cc1Cl ZINC000432122513 859002020 /nfs/dbraw/zinc/00/20/20/859002020.db2.gz NCHZKDHCZKVIFY-UHFFFAOYSA-N -1 0 412.269 4.288 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)C(=O)[O-] ZINC000432125011 859003909 /nfs/dbraw/zinc/00/39/09/859003909.db2.gz NJZNYVZYOXLUMS-LLVKDONJSA-N -1 0 418.902 4.050 20 0 HIADRM COc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1OC1CCCC1 ZINC000432128763 859006219 /nfs/dbraw/zinc/00/62/19/859006219.db2.gz IFJDTNJFIYBFLL-LJQANCHMSA-N -1 0 411.498 4.223 20 0 HIADRM Cc1cc(C)c(Br)c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432131521 859008153 /nfs/dbraw/zinc/00/81/53/859008153.db2.gz YNPVTMONFIDHMY-INIZCTEOSA-N -1 0 404.304 4.272 20 0 HIADRM C[C@@H](Sc1ccccc1C(=O)NCc1ccnc(OCc2ccccc2)c1)C(=O)[O-] ZINC000432133694 859009209 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945418828 /nfs/dbraw/zinc/41/88/28/945418828.db2.gz MGLZKVTUCZGSKS-UHFFFAOYSA-N -1 0 407.455 4.248 20 0 HIADRM COc1ccc(COCc2cccc(NC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)cc1 ZINC000564360390 945528042 /nfs/dbraw/zinc/52/80/42/945528042.db2.gz CDKQTYOBGDZAIN-JOCHJYFZSA-N -1 0 420.465 4.359 20 0 HIADRM C[C@H](NC(=O)N=c1nc(Sc2ccccc2)[n-]s1)c1noc(-c2ccccc2)n1 ZINC000564366055 945531225 /nfs/dbraw/zinc/53/12/25/945531225.db2.gz ALFZUEKHBNAHQC-LBPRGKRZSA-N -1 0 424.511 4.044 20 0 HIADRM CC(C)c1scnc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000564494271 945622927 /nfs/dbraw/zinc/62/29/27/945622927.db2.gz DXSKBTCQAOTREI-UHFFFAOYSA-N -1 0 421.569 4.310 20 0 HIADRM C[C@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc(Br)cc1 ZINC000564595992 945694035 /nfs/dbraw/zinc/69/40/35/945694035.db2.gz VRCWKWADLRCMHZ-LLVKDONJSA-N -1 0 401.264 4.072 20 0 HIADRM COc1ccc([C@@H](NC(=O)Nc2ncc(-c3ccccc3)s2)C(=O)[O-])cc1Cl ZINC000564770715 945756279 /nfs/dbraw/zinc/75/62/79/945756279.db2.gz LZJNOKZVVUARPJ-MRXNPFEDSA-N -1 0 417.874 4.420 20 0 HIADRM COc1ccc([C@H](NC(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000564771936 945756318 /nfs/dbraw/zinc/75/63/18/945756318.db2.gz NBCFDKAQNWHKSE-FVMDXXJSSA-N -1 0 415.248 4.327 20 0 HIADRM O=C([O-])C[C@@H](NC(=O)c1cnc2ccsc2c1)c1ccc(OC(F)(F)F)cc1 ZINC000565340891 945816345 /nfs/dbraw/zinc/81/63/45/945816345.db2.gz NAEWOTJUFAQGSN-CQSZACIVSA-N -1 0 410.373 4.141 20 0 HIADRM CC(F)(F)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)s3)n2)cc1 ZINC000565392715 945824618 /nfs/dbraw/zinc/82/46/18/945824618.db2.gz MRPAMICEKBFDLX-UHFFFAOYSA-N -1 0 419.862 4.042 20 0 HIADRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccc4ccccc43)o2)cc1 ZINC000565402056 945826197 /nfs/dbraw/zinc/82/61/97/945826197.db2.gz FYIKDMHGHCIWOE-UHFFFAOYSA-N -1 0 409.467 4.478 20 0 HIADRM COc1ccc(-n2cc([O-])c(C(=O)N3CCC(c4ccc(F)cc4C)CC3)n2)cc1 ZINC000565437745 945828665 /nfs/dbraw/zinc/82/86/65/945828665.db2.gz AEWZCVMYPXIICC-UHFFFAOYSA-N -1 0 409.461 4.054 20 0 HIADRM O=S(=O)([N-]c1ncnc2scc(-c3ccccc3)c21)c1ccc2c(c1)CCO2 ZINC000565454416 945834579 /nfs/dbraw/zinc/83/45/79/945834579.db2.gz JKTHJYZAYBMIBX-UHFFFAOYSA-N -1 0 409.492 4.094 20 0 HIADRM CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000565498157 945839534 /nfs/dbraw/zinc/83/95/34/945839534.db2.gz YEDCADYGPQSIAI-CYBMUJFWSA-N -1 0 411.424 4.016 20 0 HIADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)C1(c2ccccc2C)CC1 ZINC000565699225 945870180 /nfs/dbraw/zinc/87/01/80/945870180.db2.gz WUBHNXVQACBJQR-OAQYLSRUSA-N -1 0 417.553 4.266 20 0 HIADRM Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)C(=O)[O-])c1C ZINC000565694738 945870241 /nfs/dbraw/zinc/87/02/41/945870241.db2.gz GLOJEDZFLPQKOV-KBXCAEBGSA-N -1 0 424.419 4.431 20 0 HIADRM COc1cc(C)c([C@H](C)NC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cc1OC ZINC000565694170 945870455 /nfs/dbraw/zinc/87/04/55/945870455.db2.gz PIFXVHLJGXFSTC-AWEZNQCLSA-N -1 0 420.893 4.023 20 0 HIADRM CCOc1ccc(S(=O)(=O)[N-]c2nnc([C@H](CC)c3ccccc3)o2)cc1C ZINC000565872285 945901770 /nfs/dbraw/zinc/90/17/70/945901770.db2.gz HZKLKXXRHJPCGV-QGZVFWFLSA-N -1 0 401.488 4.119 20 0 HIADRM O=S(=O)([N-]c1nnc(-c2cc3c(s2)CCCC3)o1)c1cc(F)ccc1Cl ZINC000566078674 946000436 /nfs/dbraw/zinc/00/04/36/946000436.db2.gz LSMQHGPETRMZSO-UHFFFAOYSA-N -1 0 413.883 4.270 20 0 HIADRM O=C([O-])[C@H](Cc1c[nH]c2cccnc12)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000566894300 946162015 /nfs/dbraw/zinc/16/20/15/946162015.db2.gz SBAPNKWSVBYROR-FQEVSTJZSA-N -1 0 400.438 4.107 20 0 HIADRM O=C([O-])[C@H](NC(=O)Nc1ccc(OC(F)F)c(F)c1)c1ccc(Cl)c(F)c1 ZINC000566952619 946189425 /nfs/dbraw/zinc/18/94/25/946189425.db2.gz WHVLWYVXNQWFIL-CYBMUJFWSA-N -1 0 406.719 4.167 20 0 HIADRM CO[C@H](C)c1nc(=NC(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)s[n-]1 ZINC000567032415 946222391 /nfs/dbraw/zinc/22/23/91/946222391.db2.gz QFIIOXNEGIFGFE-LLVKDONJSA-N -1 0 412.918 4.093 20 0 HIADRM CC(C)c1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000567077731 946234567 /nfs/dbraw/zinc/23/45/67/946234567.db2.gz GTPYQEBYXJWFIR-UHFFFAOYSA-N -1 0 412.305 4.096 20 0 HIADRM COc1ccc([C@H](NC(=O)Nc2cccc(-c3ccccc3OC)c2)C(=O)[O-])cc1O ZINC000567330918 946312489 /nfs/dbraw/zinc/31/24/89/946312489.db2.gz WATJYDDEBXMWLW-NRFANRHFSA-N -1 0 422.437 4.024 20 0 HIADRM O=S(=O)([N-]c1cnccc1N1CCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000567412202 946330484 /nfs/dbraw/zinc/33/04/84/946330484.db2.gz ANMJYTYYJYSLMY-UHFFFAOYSA-N -1 0 405.829 4.155 20 0 HIADRM CN(CCc1cccc(Br)c1)C(=O)c1cccc(Br)c1[O-] ZINC000567533252 946365070 /nfs/dbraw/zinc/36/50/70/946365070.db2.gz FBHFIBBMJZWOAJ-UHFFFAOYSA-N -1 0 413.109 4.232 20 0 HIADRM Cc1nc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)sc1C(F)(F)F ZINC000567554915 946375988 /nfs/dbraw/zinc/37/59/88/946375988.db2.gz AZWCFNFMFJRTRS-UHFFFAOYSA-N -1 0 419.219 4.173 20 0 HIADRM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccnc1C(F)(F)F ZINC000567783971 946407972 /nfs/dbraw/zinc/40/79/72/946407972.db2.gz WSDFETAPPRXGDA-UHFFFAOYSA-N -1 0 402.728 4.156 20 0 HIADRM C[C@H](CCc1ccco1)NC(=O)N(CC(=O)[O-])[C@@H](C)c1cccc(Br)c1 ZINC000568003574 946439675 /nfs/dbraw/zinc/43/96/75/946439675.db2.gz JJOLZOVXVPAEQO-KGLIPLIRSA-N -1 0 423.307 4.221 20 0 HIADRM CCCCOc1ccc(C(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000568015544 946440963 /nfs/dbraw/zinc/44/09/63/946440963.db2.gz SPRJUMKRHCSIMJ-UHFFFAOYSA-N -1 0 402.516 4.218 20 0 HIADRM CC(C)(C[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F)C(F)(F)F ZINC000568052431 946452096 /nfs/dbraw/zinc/45/20/96/946452096.db2.gz DBTHTMTUKCXYKU-UHFFFAOYSA-N -1 0 412.630 4.108 20 0 HIADRM CC[C@@H](c1ccncc1)N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000568407111 946531742 /nfs/dbraw/zinc/53/17/42/946531742.db2.gz PPBGCZHRGQOOKY-HNNXBMFYSA-N -1 0 404.392 4.215 20 0 HIADRM Cc1nc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1-c1ccccc1 ZINC000568457109 946559662 /nfs/dbraw/zinc/55/96/62/946559662.db2.gz YJCVONVWQXQJIX-UHFFFAOYSA-N -1 0 404.495 4.103 20 0 HIADRM CN(C(=O)Nc1ccc(Br)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000568585517 946620031 /nfs/dbraw/zinc/62/00/31/946620031.db2.gz FZQDCEGCNZZZIF-AWEZNQCLSA-N -1 0 417.181 4.156 20 0 HIADRM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000568783934 946686038 /nfs/dbraw/zinc/68/60/38/946686038.db2.gz HKDZBWHPZRWCKG-OAHLLOKOSA-N -1 0 417.893 4.377 20 0 HIADRM O=C(N=c1nc(Sc2ccccc2)[n-]s1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000568800759 946700976 /nfs/dbraw/zinc/70/09/76/946700976.db2.gz GKKWYHFVFCSHDX-NVXWUHKLSA-N -1 0 412.540 4.011 20 0 HIADRM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000568917148 946756525 /nfs/dbraw/zinc/75/65/25/946756525.db2.gz HGDVXAXELIGKJS-NWDGAFQWSA-N -1 0 405.392 4.136 20 0 HIADRM CC(C)OCc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000569184005 946835006 /nfs/dbraw/zinc/83/50/06/946835006.db2.gz LBXKZYQAQYYKHX-KRWDZBQOSA-N -1 0 421.291 4.322 20 0 HIADRM COCCn1ccc2ccc(NC(=O)N3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])cc21 ZINC000569188933 946836335 /nfs/dbraw/zinc/83/63/35/946836335.db2.gz LOVAVZYDBZVLKT-NQIIRXRSSA-N -1 0 413.518 4.175 20 0 HIADRM COc1ccc([C@H](NC(=O)NCc2oc3ccccc3c2C)C(=O)[O-])cc1Cl ZINC000569302473 946856209 /nfs/dbraw/zinc/85/62/09/946856209.db2.gz UMBLBHSCVMOCGX-SFHVURJKSA-N -1 0 402.834 4.028 20 0 HIADRM COc1c(F)cc(NC(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1F ZINC000569428712 946874524 /nfs/dbraw/zinc/87/45/24/946874524.db2.gz GDFHLPIDUGZFJF-CQSZACIVSA-N -1 0 419.211 4.098 20 0 HIADRM O=C([O-])[C@H](NC(=O)NCc1coc(-c2ccccc2)n1)c1ccc2ccccc2c1 ZINC000569540565 946889513 /nfs/dbraw/zinc/88/95/13/946889513.db2.gz YHIRJEDPBDYTSW-HXUWFJFHSA-N -1 0 401.422 4.120 20 0 HIADRM Cc1nc2ccccc2n1CCCNC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000569665786 946931621 /nfs/dbraw/zinc/93/16/21/946931621.db2.gz IRBMTWXDUGMAPX-QFIPXVFZSA-N -1 0 416.481 4.013 20 0 HIADRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nnc(C2CCCC2)n1Cc1ccccc1 ZINC000569829073 947013183 /nfs/dbraw/zinc/01/31/83/947013183.db2.gz PJUUGMOEESTVAV-UHFFFAOYSA-N -1 0 420.542 4.331 20 0 HIADRM Cc1nc(-c2ccc(NC(=O)N3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])cc2)cc(=O)[nH]1 ZINC000569907123 947043878 /nfs/dbraw/zinc/04/38/78/947043878.db2.gz ITPZKBLXKIMPJY-XLIONFOSSA-N -1 0 424.501 4.045 20 0 HIADRM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000569969540 947057864 /nfs/dbraw/zinc/05/78/64/947057864.db2.gz BXXIHKAKCRMYJC-HNNXBMFYSA-N -1 0 406.939 4.284 20 0 HIADRM O=C([O-])[C@H](NC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)c(F)c1 ZINC000570233960 947155791 /nfs/dbraw/zinc/15/57/91/947155791.db2.gz FBRBUXULYZAXIE-CYBMUJFWSA-N -1 0 401.619 4.189 20 0 HIADRM Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c(C)c1CC(=O)[O-] ZINC000570356656 947216251 /nfs/dbraw/zinc/21/62/51/947216251.db2.gz SRMOLSSSWBHCMW-UHFFFAOYSA-N -1 0 415.433 4.145 20 0 HIADRM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)Nc1cccc(Br)c1 ZINC000570578888 947302527 /nfs/dbraw/zinc/30/25/27/947302527.db2.gz HAOVLUIRFAUKBX-LJQANCHMSA-N -1 0 403.276 4.143 20 0 HIADRM O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)NCCc1csc2ccccc12 ZINC000570627413 947318037 /nfs/dbraw/zinc/31/80/37/947318037.db2.gz GYARNWDQJXERKF-UHFFFAOYSA-N -1 0 404.438 4.018 20 0 HIADRM CCc1nc(C)c([C@H](C)N(C)C(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])s1 ZINC000570853669 947369424 /nfs/dbraw/zinc/36/94/24/947369424.db2.gz IZKINIIJUDROEJ-ZDUSSCGKSA-N -1 0 402.495 4.186 20 0 HIADRM COc1ccc(OC)c(-c2csc([N-]S(=O)(=O)Cc3ccc(C)cc3)n2)c1 ZINC000570881492 947381634 /nfs/dbraw/zinc/38/16/34/947381634.db2.gz IIUIMRMXAWFHLB-UHFFFAOYSA-N -1 0 404.513 4.078 20 0 HIADRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000570966220 947402901 /nfs/dbraw/zinc/40/29/01/947402901.db2.gz SLXJPFWHHMFVHG-UHFFFAOYSA-N -1 0 410.421 4.346 20 0 HIADRM Cc1csc(Nc2ccc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)cc2)n1 ZINC000570976536 947406192 /nfs/dbraw/zinc/40/61/92/947406192.db2.gz WJOJGBSFUVFTBG-UHFFFAOYSA-N -1 0 411.512 4.178 20 0 HIADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)o2)c(C)c1 ZINC000571014614 947439950 /nfs/dbraw/zinc/43/99/50/947439950.db2.gz ZJHVUCJCVFSMJJ-UHFFFAOYSA-N -1 0 413.377 4.053 20 0 HIADRM CC[C@H](NC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])c1ccc(F)cc1F ZINC000571145988 947527657 /nfs/dbraw/zinc/52/76/57/947527657.db2.gz LMPODGGTNRKUKV-HKUYNNGSSA-N -1 0 419.403 4.031 20 0 HIADRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)cc1 ZINC000571340448 947606105 /nfs/dbraw/zinc/60/61/05/947606105.db2.gz BLKHWXHAAKWVBV-GOSISDBHSA-N -1 0 413.499 4.234 20 0 HIADRM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000571437584 947646467 /nfs/dbraw/zinc/64/64/67/947646467.db2.gz VALZCQHODIWGIT-UHFFFAOYSA-N -1 0 404.445 4.218 20 0 HIADRM C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000571479334 947666797 /nfs/dbraw/zinc/66/67/97/947666797.db2.gz PCRLOYHWNWYDLC-SECBINFHSA-N -1 0 404.717 4.071 20 0 HIADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000571503366 947685769 /nfs/dbraw/zinc/68/57/69/947685769.db2.gz YOGJAWIAPNCXEL-QAPCUYQASA-N -1 0 408.458 4.045 20 0 HIADRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000571619130 947732175 /nfs/dbraw/zinc/73/21/75/947732175.db2.gz VUSNELZFANLPQH-QFIPXVFZSA-N -1 0 420.513 4.237 20 0 HIADRM Cc1cc([C@H](C)NC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c(C)s1 ZINC000571739833 947770811 /nfs/dbraw/zinc/77/08/11/947770811.db2.gz UIDWULNQNJZJOG-BBATYDOGSA-N -1 0 403.479 4.041 20 0 HIADRM Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)c1C ZINC000572260639 947870980 /nfs/dbraw/zinc/87/09/80/947870980.db2.gz DVYPFTZXQVCWQI-UHFFFAOYSA-N -1 0 419.510 4.316 20 0 HIADRM C[C@](CC(=O)NCc1cccc(OCc2ccccc2)c1)(C(=O)[O-])c1ccccc1 ZINC000572268118 947871870 /nfs/dbraw/zinc/87/18/70/947871870.db2.gz FBEQZVDQMSRBDH-RUZDIDTESA-N -1 0 403.478 4.314 20 0 HIADRM COc1ccc(NC(=O)c2cc(NC(=O)NC(C)(C)C)ccc2Cl)c(C(=O)[O-])c1 ZINC000572279004 947875200 /nfs/dbraw/zinc/87/52/00/947875200.db2.gz NLDQGBDSLSVCAG-UHFFFAOYSA-N -1 0 419.865 4.219 20 0 HIADRM CC[C@](NC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000572344124 947887329 /nfs/dbraw/zinc/88/73/29/947887329.db2.gz XMYACLMSOOCXGS-JLTOFOAXSA-N -1 0 424.419 4.378 20 0 HIADRM C[C@]([N-]S(=O)(=O)c1cccc(Cl)c1Br)(C1CC1)C(F)(F)F ZINC000572439095 947905077 /nfs/dbraw/zinc/90/50/77/947905077.db2.gz KAJGQRDMOVINHI-NSHDSACASA-N -1 0 406.651 4.112 20 0 HIADRM O=C(NCC1(c2ccc(Br)s2)CCC1)c1s[n-]c(=O)c1Cl ZINC000572507664 947920417 /nfs/dbraw/zinc/92/04/17/947920417.db2.gz ZVJVAGZRTBSVLO-UHFFFAOYSA-N -1 0 407.742 4.178 20 0 HIADRM CCOCc1cccc(NC(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000572920392 948040214 /nfs/dbraw/zinc/04/02/14/948040214.db2.gz DPDVWLJRGXUVLL-QGZVFWFLSA-N -1 0 411.285 4.347 20 0 HIADRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ncccn2)c1 ZINC000573101527 948078372 /nfs/dbraw/zinc/07/83/72/948078372.db2.gz JXLYNIOHEWWXSF-UHFFFAOYSA-N -1 0 417.922 4.117 20 0 HIADRM O=C(c1cccc(Br)c1[O-])N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000573146234 948089791 /nfs/dbraw/zinc/08/97/91/948089791.db2.gz SFPOAJDMSDHSTI-AWEZNQCLSA-N -1 0 406.280 4.173 20 0 HIADRM O=C([O-])[C@H](CC(F)(F)F)NC(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000573187566 948105169 /nfs/dbraw/zinc/10/51/69/948105169.db2.gz SJMUSNQZKUMRNX-HNNXBMFYSA-N -1 0 400.784 4.212 20 0 HIADRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)CCc1ccc(C)cc1C ZINC000573298421 948152292 /nfs/dbraw/zinc/15/22/92/948152292.db2.gz JFLOIMNFXGISDW-HSZRJFAPSA-N -1 0 419.569 4.475 20 0 HIADRM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000573413269 948201155 /nfs/dbraw/zinc/20/11/55/948201155.db2.gz XXNSZGBGSUBMGS-UHFFFAOYSA-N -1 0 405.442 4.128 20 0 HIADRM COc1c(F)cc(NC(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000573426982 948202194 /nfs/dbraw/zinc/20/21/94/948202194.db2.gz CSWUABDVBWKUJX-UHFFFAOYSA-N -1 0 418.318 4.111 20 0 HIADRM CO[C@@H](C)c1nc(=NC(=O)N2CCCC[C@H]2c2cccc(C(F)(F)F)c2)s[n-]1 ZINC000573527635 948231497 /nfs/dbraw/zinc/23/14/97/948231497.db2.gz DABTUUFXLWLCEZ-FZMZJTMJSA-N -1 0 414.453 4.445 20 0 HIADRM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000573664531 948269892 /nfs/dbraw/zinc/26/98/92/948269892.db2.gz HHICBRCRUYZTJJ-NEPJUHHUSA-N -1 0 407.923 4.480 20 0 HIADRM CC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(OC)c3c([O-])coc32)cs1 ZINC000573769823 948295834 /nfs/dbraw/zinc/29/58/34/948295834.db2.gz GIDGGOYXRKWVAG-HNNXBMFYSA-N -1 0 408.479 4.275 20 0 HIADRM O=C(NCC(F)(F)c1ccccc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000573969199 948337551 /nfs/dbraw/zinc/33/75/51/948337551.db2.gz HTBPZRGQTFHILH-UHFFFAOYSA-N -1 0 422.478 4.071 20 0 HIADRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C)ccc3Br)o2)c(C)c1 ZINC000574026876 948351656 /nfs/dbraw/zinc/35/16/56/948351656.db2.gz KHFHUHYMDUHYNF-UHFFFAOYSA-N -1 0 422.304 4.225 20 0 HIADRM O=C([O-])[C@H](NC(=O)NCc1cccc(COCc2ccccc2)c1)c1ccccc1 ZINC000574067224 948357053 /nfs/dbraw/zinc/35/70/53/948357053.db2.gz FSWVMKISBQMWHF-JOCHJYFZSA-N -1 0 404.466 4.029 20 0 HIADRM Cc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)nn1-c1cc(C)cc(C)c1 ZINC000574598995 948487835 /nfs/dbraw/zinc/48/78/35/948487835.db2.gz CFUQQBAHLBHJND-UHFFFAOYSA-N -1 0 410.421 4.012 20 0 HIADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C ZINC000574746228 948520674 /nfs/dbraw/zinc/52/06/74/948520674.db2.gz JFPKJJJNPABNDU-QFBILLFUSA-N -1 0 414.502 4.321 20 0 HIADRM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1OCCC ZINC000574780531 948524965 /nfs/dbraw/zinc/52/49/65/948524965.db2.gz UFVNAFYPXPOUTF-UHFFFAOYSA-N -1 0 418.559 4.457 20 0 HIADRM COc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3Br)cc2s1 ZINC000575143201 948603405 /nfs/dbraw/zinc/60/34/05/948603405.db2.gz DUFXJWPTWQQMHT-UHFFFAOYSA-N -1 0 417.281 4.007 20 0 HIADRM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000575524108 948674882 /nfs/dbraw/zinc/67/48/82/948674882.db2.gz AALJCMMXVFCHEE-JIPZTSHUSA-N -1 0 416.543 4.051 20 0 HIADRM COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)c1 ZINC000575731135 948688309 /nfs/dbraw/zinc/68/83/09/948688309.db2.gz NGOLOKOHEFCPNV-APPDUMDISA-N -1 0 412.269 4.102 20 0 HIADRM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)c(C)c1C ZINC000575826416 948726623 /nfs/dbraw/zinc/72/66/23/948726623.db2.gz ZYGLGUGGZDCXAF-SFHVURJKSA-N -1 0 413.499 4.089 20 0 HIADRM CCOc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1OC ZINC000575939705 948789052 /nfs/dbraw/zinc/78/90/52/948789052.db2.gz IVFVRSDSVMXMHA-OYHNWAKOSA-N -1 0 422.481 4.433 20 0 HIADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NCc1cccc(Br)c1 ZINC000576060902 948817631 /nfs/dbraw/zinc/81/76/31/948817631.db2.gz TWIJOOBAUDEGOM-QGZVFWFLSA-N -1 0 405.292 4.197 20 0 HIADRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000111190592 557683665 /nfs/dbraw/zinc/68/36/65/557683665.db2.gz XTFHJHPZSXAUBS-HXUWFJFHSA-N -1 0 405.372 4.275 20 0 HIADRM COc1ccc(Cc2nc(=O)c3sc(-c4ccc5c(c4)OCCO5)cc3[n-]2)c(F)c1 ZINC000435958202 861219305 /nfs/dbraw/zinc/21/93/05/861219305.db2.gz NEXDYPYMSPPFDU-UHFFFAOYSA-N -1 0 424.453 4.161 20 0 HIADRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2)n1 ZINC000436002111 861288369 /nfs/dbraw/zinc/28/83/69/861288369.db2.gz IHRZQSCBHRPQCD-UHFFFAOYSA-N -1 0 421.482 4.118 20 0 HIADRM CC1=C[C@@H](C)CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000436014517 861305643 /nfs/dbraw/zinc/30/56/43/861305643.db2.gz RMEVDZLMGLWGKJ-CQSZACIVSA-N -1 0 404.919 4.179 20 0 HIADRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000436016953 861307893 /nfs/dbraw/zinc/30/78/93/861307893.db2.gz VIRWOMALMQHVDG-UHFFFAOYSA-N -1 0 401.937 4.278 20 0 HIADRM COC(=O)CCSCc1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000436015739 861308570 /nfs/dbraw/zinc/30/85/70/861308570.db2.gz WTMUOZYYQSHVDT-UHFFFAOYSA-N -1 0 411.570 4.006 20 0 HIADRM Cn1cc(Nc2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3F)c2)cn1 ZINC000436024828 861318571 /nfs/dbraw/zinc/31/85/71/861318571.db2.gz JQJLWBIMWUBWSV-UHFFFAOYSA-N -1 0 414.384 4.122 20 0 HIADRM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)C1CCC(C(F)(F)F)CC1 ZINC000436045275 861334107 /nfs/dbraw/zinc/33/41/07/861334107.db2.gz ORNHYLXIUDTNKS-UHFFFAOYSA-N -1 0 405.392 4.136 20 0 HIADRM Cc1c([N-]S(=O)(=O)c2cc(C)cc(Br)c2)cnn1CCC(C)C ZINC000436152031 861451043 /nfs/dbraw/zinc/45/10/43/861451043.db2.gz ISNWROXOOGJISN-UHFFFAOYSA-N -1 0 400.342 4.109 20 0 HIADRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc(C3CC3)no2)cc1C ZINC000436161095 861461673 /nfs/dbraw/zinc/46/16/73/861461673.db2.gz NIWOITWTGZPGNG-UHFFFAOYSA-N -1 0 401.513 4.445 20 0 HIADRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1Cl ZINC000436161317 861462175 /nfs/dbraw/zinc/46/21/75/861462175.db2.gz KPAASBYFGOUSJZ-UHFFFAOYSA-N -1 0 406.813 4.350 20 0 HIADRM Cc1ncc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)s1 ZINC000436164475 861466333 /nfs/dbraw/zinc/46/63/33/861466333.db2.gz ZSIUQYMJDBEXDO-UHFFFAOYSA-N -1 0 402.122 4.322 20 0 HIADRM CSc1ccccc1S(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000436168901 861470786 /nfs/dbraw/zinc/47/07/86/861470786.db2.gz YVRGQGTUOYAXHJ-UHFFFAOYSA-N -1 0 415.327 4.097 20 0 HIADRM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nc(C2CCCCC2)no1 ZINC000436175730 861479404 /nfs/dbraw/zinc/47/94/04/861479404.db2.gz PIWFZRPZAAZQHA-SNVBAGLBSA-N -1 0 404.319 4.464 20 0 HIADRM O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006315288 845188791 /nfs/dbraw/zinc/18/87/91/845188791.db2.gz IPGJATZDXXTTMH-UHFFFAOYSA-N -1 0 400.887 4.071 20 0 HIADRM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007054106 845242906 /nfs/dbraw/zinc/24/29/06/845242906.db2.gz XBTACAQHNWWPBB-LBPRGKRZSA-N -1 0 400.422 4.035 20 0 HIADRM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)c1cccnc1 ZINC000010055081 845615860 /nfs/dbraw/zinc/61/58/60/845615860.db2.gz DDYKUMXSKUMYGW-GFCCVEGCSA-N -1 0 421.931 4.088 20 0 HIADRM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1ccc(Cl)cc1 ZINC000010423645 845657940 /nfs/dbraw/zinc/65/79/40/845657940.db2.gz LUBYBOJPSLSFHO-INIZCTEOSA-N -1 0 401.919 4.240 20 0 HIADRM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3sc4ccccc4c3s2)C1=O ZINC000010804330 845709481 /nfs/dbraw/zinc/70/94/81/845709481.db2.gz HDKJVZBKBXSSMX-OAQYLSRUSA-N -1 0 421.503 4.228 20 0 HIADRM Cc1ccc(C2=CCN(C(=O)CCn3c(=O)c4ccccc4[n-]c3=S)CC2)cc1 ZINC000012396092 845869175 /nfs/dbraw/zinc/86/91/75/845869175.db2.gz LMESWKZZZXZXTI-UHFFFAOYSA-N -1 0 405.523 4.074 20 0 HIADRM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000013059579 845903225 /nfs/dbraw/zinc/90/32/25/845903225.db2.gz TWNOIRBLPXYWEV-UHFFFAOYSA-N -1 0 424.503 4.386 20 0 HIADRM O=C([O-])c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000013059515 845904368 /nfs/dbraw/zinc/90/43/68/845904368.db2.gz FUDUKPUUOXECIN-UHFFFAOYSA-N -1 0 413.295 4.223 20 0 HIADRM O=C([O-])/C=C/c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000013087142 845905020 /nfs/dbraw/zinc/90/50/20/845905020.db2.gz DQQNDLXPDSFYAO-DTQAZKPQSA-N -1 0 407.491 4.176 20 0 HIADRM CCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2[n-]c1=S ZINC000013099768 845905959 /nfs/dbraw/zinc/90/59/59/845905959.db2.gz SKOKDLXWZGLWLG-UHFFFAOYSA-N -1 0 422.554 4.338 20 0 HIADRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1C ZINC000013184977 845908054 /nfs/dbraw/zinc/90/80/54/845908054.db2.gz WWWCBVHHTZVWJS-LJQANCHMSA-N -1 0 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CC(C)(C)n1nc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1C1CC1 ZINC000236786377 853922287 /nfs/dbraw/zinc/92/22/87/853922287.db2.gz GVFASBSEUPCPLA-HXUWFJFHSA-N -1 0 419.525 4.342 20 0 HIADRM Cc1nc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)nn1-c1ccccc1C(C)C ZINC000236805247 853925946 /nfs/dbraw/zinc/92/59/46/853925946.db2.gz SEJJFRYRJPGQKV-UHFFFAOYSA-N -1 0 420.513 4.206 20 0 HIADRM CCC[C@](C)(NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000236825462 853926723 /nfs/dbraw/zinc/92/67/23/853926723.db2.gz LCRYCHKUYSLXBV-BUXKBTBVSA-N -1 0 410.923 4.376 20 0 HIADRM CCCCC[C@@H](NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)C(=O)[O-] ZINC000236849765 853929168 /nfs/dbraw/zinc/92/91/68/853929168.db2.gz GMVZTKYISBTEQE-OAHLLOKOSA-N -1 0 406.479 4.211 20 0 HIADRM CCOc1ccc(-c2nc(C)c(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])s2)cc1 ZINC000236864146 853929951 /nfs/dbraw/zinc/92/99/51/853929951.db2.gz GVUGIDKXZADIIH-MRXNPFEDSA-N -1 0 402.516 4.377 20 0 HIADRM CC(C)c1ccc(-c2noc(CCC(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])n2)cc1 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402.450 4.218 20 0 HIADRM CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237101988 853965510 /nfs/dbraw/zinc/96/55/10/853965510.db2.gz UJVOBJYZQQLNJK-UHFFFAOYSA-N -1 0 403.482 4.039 20 0 HIADRM CN(Cc1cccc(F)c1)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237116725 853966839 /nfs/dbraw/zinc/96/68/39/853966839.db2.gz DABVPZIMNNNMFT-UHFFFAOYSA-N -1 0 421.350 4.001 20 0 HIADRM COc1ccccc1C[C@@H](CNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237215086 853984530 /nfs/dbraw/zinc/98/45/30/853984530.db2.gz RLVIBMGTYRQGTD-PBHICJAKSA-N -1 0 423.431 4.267 20 0 HIADRM COc1ccc([C@H](C)CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000237237452 853988843 /nfs/dbraw/zinc/98/88/43/853988843.db2.gz PWMBPZCSAMIPOW-FZKQIMNGSA-N -1 0 420.303 4.284 20 0 HIADRM COc1ccccc1C[C@H](C)N(Cc1ccccc1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000237254489 853991848 /nfs/dbraw/zinc/99/18/48/853991848.db2.gz ZMKBZJDUZMCTMG-KRWDZBQOSA-N -1 0 404.466 4.062 20 0 HIADRM 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COc1ccc(-c2cc(C(=O)NC3CCC(C(=O)[O-])CC3)c3ccccc3n2)cc1 ZINC000237410617 854026472 /nfs/dbraw/zinc/02/64/72/854026472.db2.gz PSEJYINIYQPRNG-UHFFFAOYSA-N -1 0 404.466 4.284 20 0 HIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(OCc2cccnc2)c1)C(=O)[O-] ZINC000237411167 854026791 /nfs/dbraw/zinc/02/67/91/854026791.db2.gz HMHFXAYONXSNDH-GOSISDBHSA-N -1 0 404.466 4.024 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 ZINC000237423993 854029513 /nfs/dbraw/zinc/02/95/13/854029513.db2.gz FNBIFXZIIMTYNW-HNNXBMFYSA-N -1 0 401.513 4.114 20 0 HIADRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000237426183 854030658 /nfs/dbraw/zinc/03/06/58/854030658.db2.gz KGGVHGUJPSATFW-SFHVURJKSA-N -1 0 415.902 4.193 20 0 HIADRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000237438287 854033846 /nfs/dbraw/zinc/03/38/46/854033846.db2.gz CDPLUDARTQIYAZ-LJQANCHMSA-N -1 0 421.522 4.029 20 0 HIADRM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237450724 854035857 /nfs/dbraw/zinc/03/58/57/854035857.db2.gz XTNPNVWYIKEUKO-QWHCGFSZSA-N -1 0 422.934 4.328 20 0 HIADRM C[C@H](CCOc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000237477954 854042485 /nfs/dbraw/zinc/04/24/85/854042485.db2.gz CMMUBQYJFMDGHN-KDOFPFPSSA-N -1 0 420.303 4.186 20 0 HIADRM COc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000237531465 854050421 /nfs/dbraw/zinc/05/04/21/854050421.db2.gz YQORPLIVZHIRQP-JKSUJKDBSA-N -1 0 422.506 4.369 20 0 HIADRM C[C@H](Sc1ccc(Br)cc1)C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000237536338 854051144 /nfs/dbraw/zinc/05/11/44/854051144.db2.gz PEEXLASJCVKAAG-GWCFXTLKSA-N -1 0 414.346 4.323 20 0 HIADRM Cc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000237535153 854051541 /nfs/dbraw/zinc/05/15/41/854051541.db2.gz NYTXEKFCRARWCB-HTAPYJJXSA-N -1 0 416.477 4.439 20 0 HIADRM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000237542241 854051956 /nfs/dbraw/zinc/05/19/56/854051956.db2.gz IRIRAVKYRJYSDS-CQSZACIVSA-N -1 0 406.413 4.267 20 0 HIADRM Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237545058 854052140 /nfs/dbraw/zinc/05/21/40/854052140.db2.gz JQKAGIQKMLDIAZ-SUMWQHHRSA-N -1 0 412.467 4.094 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(=O)[O-] ZINC000237550148 854053573 /nfs/dbraw/zinc/05/35/73/854053573.db2.gz RFISMLISJXGVRH-VIFPVBQESA-N -1 0 415.355 4.209 20 0 HIADRM Cc1cc(Br)ccc1CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000237558187 854054465 /nfs/dbraw/zinc/05/44/65/854054465.db2.gz KHCOYLXTKKLPKP-LBPRGKRZSA-N -1 0 408.317 4.253 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCc1cc(Br)cs1)C(=O)[O-] ZINC000237558013 854054473 /nfs/dbraw/zinc/05/44/73/854054473.db2.gz DVDHSVFMPPZCHJ-VIFPVBQESA-N -1 0 400.319 4.006 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)NCc1ccc(Br)s1)C(=O)[O-] ZINC000237558258 854054486 /nfs/dbraw/zinc/05/44/86/854054486.db2.gz AJEUJSNWGGHROD-VIFPVBQESA-N -1 0 400.319 4.006 20 0 HIADRM C[C@H](Sc1ccccc1C(=O)N[C@H]1CCc2c1cccc2Br)C(=O)[O-] ZINC000237562505 854055168 /nfs/dbraw/zinc/05/51/68/854055168.db2.gz ZHNPDJUCNZEYEA-ZBEGNZNMSA-N -1 0 420.328 4.432 20 0 HIADRM C[C@H](Cc1ccccc1F)C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237561007 854055288 /nfs/dbraw/zinc/05/52/88/854055288.db2.gz JDDHWKGKVYUMBS-PXAZEXFGSA-N -1 0 408.267 4.099 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CCCc1ccc(Br)s1 ZINC000237581171 854058746 /nfs/dbraw/zinc/05/87/46/854058746.db2.gz ZIMMWZGUTMQJRF-OAHLLOKOSA-N -1 0 410.333 4.474 20 0 HIADRM Cc1nc([C@@H](C)NC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000237593751 854059226 /nfs/dbraw/zinc/05/92/26/854059226.db2.gz USVXUOLGQKDCIG-BDAKNGLRSA-N -1 0 403.287 4.101 20 0 HIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000237589299 854059609 /nfs/dbraw/zinc/05/96/09/854059609.db2.gz AFFVMHPTRJJLPA-MRXNPFEDSA-N -1 0 416.524 4.277 20 0 HIADRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237598079 854060610 /nfs/dbraw/zinc/06/06/10/854060610.db2.gz RCQSXJPEXMCKOV-SFHVURJKSA-N -1 0 409.526 4.396 20 0 HIADRM Cc1nc([C@H](C)NC(=O)CCCc2ccc(Br)s2)sc1C(=O)[O-] ZINC000237602012 854060838 /nfs/dbraw/zinc/06/08/38/854060838.db2.gz ALGLRFWBALWDRJ-VIFPVBQESA-N -1 0 417.350 4.174 20 0 HIADRM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000237617036 854062949 /nfs/dbraw/zinc/06/29/49/854062949.db2.gz VRGWXLNQHDREDU-KRWDZBQOSA-N -1 0 416.477 4.447 20 0 HIADRM Cc1c(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cccc1C(=O)N1CCCC1 ZINC000237632059 854065873 /nfs/dbraw/zinc/06/58/73/854065873.db2.gz KCXODEQJALCOOM-HSZRJFAPSA-N -1 0 400.519 4.231 20 0 HIADRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc12 ZINC000237643705 854066717 /nfs/dbraw/zinc/06/67/17/854066717.db2.gz LFSVQVOVAYNFCP-OAHLLOKOSA-N -1 0 415.490 4.394 20 0 HIADRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237643079 854066788 /nfs/dbraw/zinc/06/67/88/854066788.db2.gz ALRQGPFRLBHCEC-VFZGTOFNSA-N -1 0 418.223 4.371 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCCSc3ccccc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237664073 854070980 /nfs/dbraw/zinc/07/09/80/854070980.db2.gz VPAVYHPTKVZOQN-UHFFFAOYSA-N -1 0 423.538 4.028 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c(C)c1CCC(=O)[O-] ZINC000237666773 854071803 /nfs/dbraw/zinc/07/18/03/854071803.db2.gz NQMIXURYQVIVPX-UHFFFAOYSA-N -1 0 411.889 4.090 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cc2cc(Br)ccc2o1 ZINC000237666024 854071831 /nfs/dbraw/zinc/07/18/31/854071831.db2.gz OFBXLJJZVFVTLD-HNNXBMFYSA-N -1 0 402.244 4.450 20 0 HIADRM Cc1cc(C)n(Cc2cccc(C(=O)N(CCCC(=O)[O-])Cc3ccccc3)c2)n1 ZINC000237665898 854071959 /nfs/dbraw/zinc/07/19/59/854071959.db2.gz NLJMPCMWLGNUQH-UHFFFAOYSA-N -1 0 405.498 4.055 20 0 HIADRM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237667274 854072098 /nfs/dbraw/zinc/07/20/98/854072098.db2.gz CMNKOQMAHXAXFV-KRWDZBQOSA-N -1 0 417.387 4.145 20 0 HIADRM Cc1nn(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)c(C)c1CCC(=O)[O-] ZINC000237667399 854072208 /nfs/dbraw/zinc/07/22/08/854072208.db2.gz GQYVGXVLHXEANH-UHFFFAOYSA-N -1 0 411.889 4.090 20 0 HIADRM Cc1nn(-c2ccc(C(=O)Nc3cc(F)c(F)c(F)c3)cc2)c(C)c1CCC(=O)[O-] ZINC000237671040 854072757 /nfs/dbraw/zinc/07/27/57/854072757.db2.gz SPEMFDHJIBRNCI-UHFFFAOYSA-N -1 0 417.387 4.176 20 0 HIADRM C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237681832 854074810 /nfs/dbraw/zinc/07/48/10/854074810.db2.gz QOPNXBAKKPXBAA-QWHCGFSZSA-N -1 0 409.408 4.240 20 0 HIADRM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237684693 854075208 /nfs/dbraw/zinc/07/52/08/854075208.db2.gz IYOWDOZIPLMWSY-CQSZACIVSA-N -1 0 424.328 4.264 20 0 HIADRM Cc1nc(C)c(CCNC(=O)c2ccccc2SCc2occc2C(=O)[O-])s1 ZINC000237686175 854075905 /nfs/dbraw/zinc/07/59/05/854075905.db2.gz BRTXRGVZWXHLDO-UHFFFAOYSA-N -1 0 416.524 4.316 20 0 HIADRM Cc1cccc(C[C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C(=O)[O-])c1 ZINC000237693054 854077105 /nfs/dbraw/zinc/07/71/05/854077105.db2.gz MWCWUMIDHULXJZ-KBAYOESNSA-N -1 0 421.415 4.057 20 0 HIADRM Cc1ccccc1-c1nc(C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cs1 ZINC000237724275 854083528 /nfs/dbraw/zinc/08/35/28/854083528.db2.gz GNTMSQMXONFPTP-GOSISDBHSA-N -1 0 423.469 4.165 20 0 HIADRM Cc1[nH]c2ccc(C(=O)N[C@H](CC(=O)[O-])c3ccc(Br)cc3)cc2c1C ZINC000237727652 854084683 /nfs/dbraw/zinc/08/46/83/854084683.db2.gz SWZKMFWNSWMGRO-GOSISDBHSA-N -1 0 415.287 4.493 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N3CCc4ccc(Cl)cc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237728482 854084882 /nfs/dbraw/zinc/08/48/82/854084882.db2.gz YZKINRRWJABFRT-UHFFFAOYSA-N -1 0 423.900 4.363 20 0 HIADRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237734886 854085443 /nfs/dbraw/zinc/08/54/43/854085443.db2.gz INCUBOBKTJXNOL-CQSZACIVSA-N -1 0 418.490 4.165 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H]3CCc4cc(F)ccc43)cc2)c(C)c1CCC(=O)[O-] ZINC000237735908 854085627 /nfs/dbraw/zinc/08/56/27/854085627.db2.gz SJSMHAXRIOVAJN-QFIPXVFZSA-N -1 0 421.472 4.063 20 0 HIADRM Cc1cccc2[nH]cc(CC(=O)N[C@@H](CC(=O)[O-])c3ccc(Br)cc3)c21 ZINC000237737390 854086920 /nfs/dbraw/zinc/08/69/20/854086920.db2.gz DXRIBQXSHLVMTI-KRWDZBQOSA-N -1 0 415.287 4.114 20 0 HIADRM Cc1cccc2[nH]cc(CC(=O)N[C@@H](CC(=O)[O-])c3cccc(Br)c3)c21 ZINC000237737530 854086937 /nfs/dbraw/zinc/08/69/37/854086937.db2.gz KGVNNYDMFDCBSD-KRWDZBQOSA-N -1 0 415.287 4.114 20 0 HIADRM Cc1ccccc1-n1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C(F)(F)F ZINC000237742541 854087801 /nfs/dbraw/zinc/08/78/01/854087801.db2.gz MPKLALMXGRCDFR-UHFFFAOYSA-N -1 0 417.387 4.469 20 0 HIADRM Cc1ccc(CNC(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c(C)c1 ZINC000237754542 854088609 /nfs/dbraw/zinc/08/86/09/854088609.db2.gz ATNVUPRKXBXQOG-UHFFFAOYSA-N -1 0 417.387 4.136 20 0 HIADRM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)c1ccccc1 ZINC000237762183 854090613 /nfs/dbraw/zinc/09/06/13/854090613.db2.gz LYDJKMCRSADVCR-XIKOKIGWSA-N -1 0 418.280 4.371 20 0 HIADRM Cc1nn(-c2ccc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2)c(C)c1Cl ZINC000237760994 854090704 /nfs/dbraw/zinc/09/07/04/854090704.db2.gz JPXLHSKPUGGZSQ-XCLFUZPHSA-N -1 0 411.889 4.334 20 0 HIADRM Cc1nc(CSc2ccccc2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000237765785 854091557 /nfs/dbraw/zinc/09/15/57/854091557.db2.gz LCESFVIXZNHXLJ-HNNXBMFYSA-N -1 0 404.557 4.461 20 0 HIADRM Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(C)c1OCC(=O)[O-] ZINC000237764248 854091580 /nfs/dbraw/zinc/09/15/80/854091580.db2.gz XVWAPBZHURZXHF-QGZVFWFLSA-N -1 0 410.495 4.354 20 0 HIADRM Cc1cc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])c(C)n1[C@H](C)c1ccccc1 ZINC000237768575 854092499 /nfs/dbraw/zinc/09/24/99/854092499.db2.gz WVOPFRRZIKHLPG-ZHRRBRCNSA-N -1 0 424.472 4.115 20 0 HIADRM Cc1ccc(-c2nc(CC(=O)NC[C@@H](Cc3cccc(C)c3)C(=O)[O-])cs2)cc1 ZINC000237771617 854093986 /nfs/dbraw/zinc/09/39/86/854093986.db2.gz RNJAKXXZRBQTDE-LJQANCHMSA-N -1 0 408.523 4.029 20 0 HIADRM Cc1ccc(Br)cc1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237782372 854096333 /nfs/dbraw/zinc/09/63/33/854096333.db2.gz CMUPGCFQOYKXAK-UHFFFAOYSA-N -1 0 412.230 4.153 20 0 HIADRM Cc1ccc2c(CC(=O)N[C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])coc2c1C ZINC000237814847 854102179 /nfs/dbraw/zinc/10/21/79/854102179.db2.gz COGWPBDSHGZVKF-HXUWFJFHSA-N -1 0 408.429 4.025 20 0 HIADRM Cc1ccc2c(CC(=O)Nc3cccc(C(=O)N4CCCC[C@H]4C(=O)[O-])c3)coc2c1 ZINC000237816134 854103493 /nfs/dbraw/zinc/10/34/93/854103493.db2.gz SMNQHAFLEJFSOZ-FQEVSTJZSA-N -1 0 420.465 4.002 20 0 HIADRM Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cn2c1 ZINC000237826386 854104423 /nfs/dbraw/zinc/10/44/23/854104423.db2.gz JXTGTOQTSMIGEQ-UHFFFAOYSA-N -1 0 415.449 4.481 20 0 HIADRM Cc1sc(CCNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)nc1-c1ccccc1 ZINC000237866259 854110624 /nfs/dbraw/zinc/11/06/24/854110624.db2.gz VNCXJPGJAMNZAD-UHFFFAOYSA-N -1 0 424.522 4.171 20 0 HIADRM Cc1ccc2c(CC(=O)N[C@H](CC(=O)[O-])c3ccc(Br)cc3)c[nH]c2c1 ZINC000237876387 854112599 /nfs/dbraw/zinc/11/25/99/854112599.db2.gz 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858717600 /nfs/dbraw/zinc/71/76/00/858717600.db2.gz ANGVHUZDFUURCK-UHFFFAOYSA-N -1 0 408.479 4.327 20 0 HIADRM CCCc1c(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000431658104 858717778 /nfs/dbraw/zinc/71/77/78/858717778.db2.gz ACOJRQBQEOWNHU-UHFFFAOYSA-N -1 0 402.454 4.116 20 0 HIADRM CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000431658028 858717865 /nfs/dbraw/zinc/71/78/65/858717865.db2.gz MLCWVRQOSAPIAO-XOBRGWDASA-N -1 0 406.486 4.081 20 0 HIADRM CCc1c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cnn1Cc1ccccc1 ZINC000431658103 858718073 /nfs/dbraw/zinc/71/80/73/858718073.db2.gz ACEVHQZWOFKQGS-UHFFFAOYSA-N -1 0 423.538 4.454 20 0 HIADRM Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(OCC(=O)[O-])c3)c12 ZINC000431657809 858718166 /nfs/dbraw/zinc/71/81/66/858718166.db2.gz LDKAXQNEQXKZNB-UHFFFAOYSA-N -1 0 421.384 4.053 20 0 HIADRM Cc1oc(CN(C)C(=O)c2cc(C)nc3ccc(Br)cc32)cc1C(=O)[O-] ZINC000431677828 858733353 /nfs/dbraw/zinc/73/33/53/858733353.db2.gz XJTSXOYXWLULEA-UHFFFAOYSA-N -1 0 417.259 4.178 20 0 HIADRM Cc1cc(NC(=O)c2n[nH]c(-c3ccccc3)c2Br)cc(C(=O)[O-])c1C ZINC000431678341 858735002 /nfs/dbraw/zinc/73/50/02/858735002.db2.gz HWXZFPSUOBIOIR-UHFFFAOYSA-N -1 0 414.259 4.407 20 0 HIADRM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)cn1 ZINC000431688391 858741057 /nfs/dbraw/zinc/74/10/57/858741057.db2.gz UQUKZHRIIIWWMS-UHFFFAOYSA-N -1 0 400.438 4.141 20 0 HIADRM Cc1ccc(OCc2cccc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)c2)cn1 ZINC000431768154 858803395 /nfs/dbraw/zinc/80/33/95/858803395.db2.gz JJPGCEPIUCZOTF-QFIPXVFZSA-N -1 0 404.466 4.223 20 0 HIADRM CCOc1ccccc1-c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)c1 ZINC000431769405 858803493 /nfs/dbraw/zinc/80/34/93/858803493.db2.gz HTPJQQAPBLATEH-JOCHJYFZSA-N -1 0 405.450 4.317 20 0 HIADRM COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)sc1Br ZINC000431769289 858803505 /nfs/dbraw/zinc/80/35/05/858803505.db2.gz OFHMKHWCLLVWAO-JTQLQIEISA-N -1 0 418.696 4.118 20 0 HIADRM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 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