smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000000669673 551518944 /nfs/dbraw/zinc/51/89/44/551518944.db2.gz QZFLGJPERIFFRR-VOSMRYOYSA-N 0 0 510.637 3.693 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000000669676 551518972 /nfs/dbraw/zinc/51/89/72/551518972.db2.gz QZFLGJPERIFFRR-FGGAIWKESA-N 0 0 510.637 3.693 40 30 KHEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC1=N[C@@H]2[C@H](C(=O)N(C)C(=O)N2C)N1C ZINC000001101569 551608858 /nfs/dbraw/zinc/60/88/58/551608858.db2.gz ARJBPJRGMOTCAN-SXOMAYOGSA-N 0 0 590.677 3.994 40 30 KHEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC1=N[C@@H]2[C@@H](C(=O)N(C)C(=O)N2C)N1C ZINC000001101570 551608840 /nfs/dbraw/zinc/60/88/40/551608840.db2.gz ARJBPJRGMOTCAN-SVBPBHIXSA-N 0 0 590.677 3.994 40 30 KHEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC1=N[C@H]2[C@H](C(=O)N(C)C(=O)N2C)N1C ZINC000001101571 551608825 /nfs/dbraw/zinc/60/88/25/551608825.db2.gz ARJBPJRGMOTCAN-KAYWLYCHSA-N 0 0 590.677 3.994 40 30 KHEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC1=N[C@H]2[C@@H](C(=O)N(C)C(=O)N2C)N1C ZINC000001101572 551608901 /nfs/dbraw/zinc/60/89/01/551608901.db2.gz ARJBPJRGMOTCAN-RRPNLBNLSA-N 0 0 590.677 3.994 40 30 KHEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Oc3nc4c(c(=O)n(C)c(=O)n4C)n3C)c(OC)c2)ccc1O ZINC000001101573 551608832 /nfs/dbraw/zinc/60/88/32/551608832.db2.gz DMZJJIBEKBJQTM-WCMJOSRZSA-N 0 0 581.589 3.551 40 30 KHEBRN N#Cc1cccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4c(F)cccc4Cl)c(=O)[nH]3)CC2)c1 ZINC000001355192 551647613 /nfs/dbraw/zinc/64/76/13/551647613.db2.gz ORQOGWJNMMQHAQ-UHFFFAOYSA-N 0 0 506.929 3.639 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001423010 551668785 /nfs/dbraw/zinc/66/87/85/551668785.db2.gz JYEVLAIIFGOVMB-RTOPAQNCSA-N 0 0 527.595 3.708 40 30 KHEBRN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccnc1 ZINC000001423608 551669038 /nfs/dbraw/zinc/66/90/38/551669038.db2.gz WGOPQQCJAMKCNL-PZUNEJSGSA-N 0 0 557.578 3.976 40 30 KHEBRN COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000001436677 551671163 /nfs/dbraw/zinc/67/11/63/551671163.db2.gz FVESISUTLRMZAS-HXUWFJFHSA-N 0 0 516.019 3.578 40 30 KHEBRN COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000001436678 551671499 /nfs/dbraw/zinc/67/14/99/551671499.db2.gz FVESISUTLRMZAS-FQEVSTJZSA-N 0 0 516.019 3.578 40 30 KHEBRN C#CCN(Cc1cc2c(cc1Br)nc(C)[nH]c2=O)c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000001485409 551683076 /nfs/dbraw/zinc/68/30/76/551683076.db2.gz SHNBLWMBWXIKMR-UHFFFAOYSA-N 0 0 516.399 3.959 40 30 investigational KHEBRN CCN(CC)C1([C@H](F)C(F)(F)F)OCC2(CO1)COC([C@H](F)C(F)(F)F)(N(CC)CC)OC2 ZINC000001591411 551685445 /nfs/dbraw/zinc/68/54/45/551685445.db2.gz YFYFUZYQVVVQBT-XQUQETMSSA-N 0 0 502.443 3.858 40 30 KHEBRN CCN(CC)C1([C@@H](F)C(F)(F)F)OCC2(CO1)COC([C@@H](F)C(F)(F)F)(N(CC)CC)OC2 ZINC000001591414 551685477 /nfs/dbraw/zinc/68/54/77/551685477.db2.gz YFYFUZYQVVVQBT-UENNDETDSA-N 0 0 502.443 3.858 40 30 KHEBRN Cc1cc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)ccc1/C=N/c1ccc2ccccc2c1 ZINC000001655558 551688010 /nfs/dbraw/zinc/68/80/10/551688010.db2.gz KUTFCXHGWIVEGF-XIEYBQDHSA-N 0 0 504.630 3.658 40 30 KHEBRN CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2cccc(Br)c2)c(Cl)c1 ZINC000001655568 551688014 /nfs/dbraw/zinc/68/80/14/551688014.db2.gz FJCOUTADWRAPQW-HYARGMPZSA-N 0 0 553.884 3.612 40 30 KHEBRN Cc1nc(-c2ccc(/N=C/c3ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc3)cc2)c(C)s1 ZINC000001655578 551688064 /nfs/dbraw/zinc/68/80/64/551688064.db2.gz XIHSQZDEXPRWRZ-KOEQRZSOSA-N 0 0 551.712 3.936 40 30 KHEBRN Cc1nc(-c2ccc(/N=C/c3ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc3C)cc2)cs1 ZINC000001655579 551688087 /nfs/dbraw/zinc/68/80/87/551688087.db2.gz KYDDIGKIEKRRDQ-PCLIKHOPSA-N 0 0 551.712 3.936 40 30 KHEBRN Cc1nc(-c2ccc(/N=C/c3ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc3)cc2)cs1 ZINC000001655580 551688007 /nfs/dbraw/zinc/68/80/07/551688007.db2.gz VVEHNEVPAKMJLS-LFVJCYFKSA-N 0 0 537.685 3.628 40 30 KHEBRN Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)c2ccc(C=O)cc2)cc1 ZINC000001702581 551689977 /nfs/dbraw/zinc/68/99/77/551689977.db2.gz LVRMKEYJIDODQY-UHFFFAOYSA-N 0 0 517.625 3.733 40 30 KHEBRN Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000001868197 551718490 /nfs/dbraw/zinc/71/84/90/551718490.db2.gz YVGXJOAFNCPNTC-UHFFFAOYSA-N 0 0 534.612 3.829 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000002175850 551783176 /nfs/dbraw/zinc/78/31/76/551783176.db2.gz JISSXJZSOHZXIV-KMBIYUNPSA-N 0 0 597.089 3.880 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000002175852 551783198 /nfs/dbraw/zinc/78/31/98/551783198.db2.gz JISSXJZSOHZXIV-GVMLUORFSA-N 0 0 597.089 3.880 40 30 KHEBRN Cc1ccc(S(=O)(=O)OCC[C@@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002581365 552130793 /nfs/dbraw/zinc/13/07/93/552130793.db2.gz FUYYDQSFFYSDLU-QFIPXVFZSA-N 0 0 568.691 3.887 40 30 KHEBRN N#CC(C#N)=c1s/c(=C\c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c(=O)n1-c1ccccc1 ZINC000002647945 552145409 /nfs/dbraw/zinc/14/54/09/552145409.db2.gz CEAGZNUUGQMWJA-NHDPSOOVSA-N 0 0 519.336 3.856 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000002680608 552155173 /nfs/dbraw/zinc/15/51/73/552155173.db2.gz SOFJGPZBTYILDF-QQYUXEJHSA-N 0 0 545.686 3.812 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000002680610 552155226 /nfs/dbraw/zinc/15/52/26/552155226.db2.gz SOFJGPZBTYILDF-MYXKAAJQSA-N 0 0 545.686 3.812 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc(I)c1OCC#N ZINC000002772869 552185474 /nfs/dbraw/zinc/18/54/74/552185474.db2.gz YVWRHRMWBXJXKE-FQEVSTJZSA-N 0 0 517.323 3.946 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc(I)c1OCC#N ZINC000002772870 552185445 /nfs/dbraw/zinc/18/54/45/552185445.db2.gz YVWRHRMWBXJXKE-HXUWFJFHSA-N 0 0 517.323 3.946 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000002797441 552192685 /nfs/dbraw/zinc/19/26/85/552192685.db2.gz QTMLZZWDDHYKCB-XSZPGNIMSA-N 0 0 534.634 3.640 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000002797443 552192850 /nfs/dbraw/zinc/19/28/50/552192850.db2.gz QTMLZZWDDHYKCB-XXMKCSCWSA-N 0 0 534.634 3.640 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002806090 552195857 /nfs/dbraw/zinc/19/58/57/552195857.db2.gz OMFYJLGJUIYCMO-VQUVXCFPSA-N 0 0 501.601 3.521 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(OC)cc1OC ZINC000002806107 552195860 /nfs/dbraw/zinc/19/58/60/552195860.db2.gz VNCYSQOIBUCSSL-ZGFCVWDJSA-N 0 0 533.643 3.622 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000002806108 552195872 /nfs/dbraw/zinc/19/58/72/552195872.db2.gz ARYKETISLVXUSG-XDCJIHQESA-N 0 0 511.596 3.702 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(OC)c1OC ZINC000002806169 552195852 /nfs/dbraw/zinc/19/58/52/552195852.db2.gz FALGEIBFCJKPKU-RFVSGWPVSA-N 0 0 503.617 3.613 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000002806172 552195843 /nfs/dbraw/zinc/19/58/43/552195843.db2.gz SNQPUVQCUCCBCB-XDCJIHQESA-N 0 0 503.617 3.613 40 30 KHEBRN O=S(=O)(N/N=C/c1ccccc1O)c1ccc(Oc2ccc(S(=O)(=O)N/N=C/c3ccccc3O)cc2)cc1 ZINC000002895216 552211937 /nfs/dbraw/zinc/21/19/37/552211937.db2.gz KILDZQSVIKHWGH-XUIWWLCJSA-N 0 0 566.617 3.515 40 30 KHEBRN C[C@H]1S/C(=N/N=C/c2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)NC1=O ZINC000003167736 552298595 /nfs/dbraw/zinc/29/85/95/552298595.db2.gz YJLVRHKPENJNGA-KTMXNEEYSA-N 0 0 547.250 3.921 40 30 KHEBRN O=C1CS/C(=N/N=C/c2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)N1 ZINC000003168282 552298607 /nfs/dbraw/zinc/29/86/07/552298607.db2.gz LAPSWYAKWNTHCE-UFWORHAWSA-N 0 0 533.223 3.532 40 30 KHEBRN O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000003168297 552298629 /nfs/dbraw/zinc/29/86/29/552298629.db2.gz FJJDHBQNYREEEI-NFFVHWSESA-N 0 0 575.872 3.968 40 30 KHEBRN CN(C)S(=O)(=O)c1ccc(C(=O)/N=C2/N=C3C=CC(I)=CN3Cc3ccccc32)cc1 ZINC000003169158 552298829 /nfs/dbraw/zinc/29/88/29/552298829.db2.gz UPLXSFWWGZWJJQ-NJNXFGOHSA-N 0 0 546.390 3.584 40 30 KHEBRN COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000003220848 552309877 /nfs/dbraw/zinc/30/98/77/552309877.db2.gz MUHCOULZNUHXDN-QYNYLEGKSA-N 0 0 517.994 3.711 40 30 KHEBRN CCOc1ccc(S(=O)(=O)N/N=C/c2cc(C)c(/C=N/NS(=O)(=O)c3ccc(OCC)cc3)cc2C)cc1 ZINC000003237052 552317266 /nfs/dbraw/zinc/31/72/66/552317266.db2.gz FCAHBEPCNFLNCF-XUIWWLCJSA-N 0 0 558.682 3.726 40 30 KHEBRN C=CCn1c(Cl)c(/C=N/NC(=S)NC2CCCCC2)s/c1=N/S(=O)(=O)c1cccs1 ZINC000003251943 552322849 /nfs/dbraw/zinc/32/28/49/552322849.db2.gz NTWUCEFRJSJOHI-IIHALPSOSA-N 0 0 504.128 3.871 40 30 KHEBRN CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=c2/s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2-c2ccc(C)cc2)c1C ZINC000003258128 552324558 /nfs/dbraw/zinc/32/45/58/552324558.db2.gz AELKTCXHGPVVRE-CZGJDVQLSA-N 0 0 556.600 3.623 40 30 KHEBRN CC(C)(C)C(=O)/C(C#N)=c1\s/c(=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1Cc1ccco1 ZINC000003260729 552326029 /nfs/dbraw/zinc/32/60/29/552326029.db2.gz OPBVLPCLOLEGGA-CZTLQWBISA-N 0 0 547.618 3.519 40 30 KHEBRN O=S(=O)(c1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1)N1CCOCC1 ZINC000003273014 552332802 /nfs/dbraw/zinc/33/28/02/552332802.db2.gz XAWIRPIDISBIIU-YZSQISJMSA-N 0 0 552.707 3.942 40 30 KHEBRN O=S(=O)(c1ccc(/N=c2/scc(-c3ccco3)n2/N=C/c2ccc3c(c2)OCO3)cc1)N1CCOCC1 ZINC000003285519 552337410 /nfs/dbraw/zinc/33/74/10/552337410.db2.gz MHDZLBKSBFQGMF-CATZNRJLSA-N 0 0 538.607 3.674 40 30 KHEBRN COc1ccc(NC(=O)COc2ccc(/C=N/NS(=O)(=O)c3ccc(Br)cc3)cc2OC)cc1 ZINC000003343812 552364032 /nfs/dbraw/zinc/36/40/32/552364032.db2.gz BXENKSRXZAJTCV-AFUMVMLFSA-N 0 0 548.415 3.796 40 30 KHEBRN C=CCOc1cc(Br)c(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000003463605 552389965 /nfs/dbraw/zinc/38/99/65/552389965.db2.gz BCFCHNKHVCPDCD-ZDLGFXPLSA-N 0 0 500.349 3.862 40 30 KHEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000003631429 552397466 /nfs/dbraw/zinc/39/74/66/552397466.db2.gz MYGMDXLQIZRDEE-TZFGQJNGSA-N 0 0 522.392 3.642 40 30 KHEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000003631440 552397453 /nfs/dbraw/zinc/39/74/53/552397453.db2.gz WDNBHSVPAFOFDJ-XTDINYQCSA-N 0 0 522.392 3.642 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000003770581 552415886 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COC(=O)[C@H]1[C@H](C(=O)OC)[C@@]2(OC(c3ccc(Cl)cc3)=CC2=O)[C@]12OC(c1ccc(Cl)cc1)=CC2=O ZINC000003956890 552423948 /nfs/dbraw/zinc/42/39/48/552423948.db2.gz FHEXWFBUXUHTOJ-SAZLYLDSSA-N 0 0 529.328 3.644 40 30 KHEBRN COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2(OC(c3ccc(Cl)cc3)=CC2=O)[C@]12OC(c1ccc(Cl)cc1)=CC2=O ZINC000003956891 552423945 /nfs/dbraw/zinc/42/39/45/552423945.db2.gz FHEXWFBUXUHTOJ-CNXCYTMISA-N 0 0 529.328 3.644 40 30 KHEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000004212873 552449440 /nfs/dbraw/zinc/44/94/40/552449440.db2.gz CIWBQSYVNNPZIQ-PKWREOPISA-N 0 0 504.595 3.818 40 30 in-man KHEBRN C=CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)COc3ccccc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222291 552450944 /nfs/dbraw/zinc/45/09/44/552450944.db2.gz HQUWPWJMYPKUIE-JEPPUSMKSA-N 0 0 527.687 3.611 40 30 biogenic,in-vitro KHEBRN C=CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3ccnc(Cl)c3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222375 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/nfs/dbraw/zinc/11/74/18/553117418.db2.gz LRUMHJWUSZOFLY-MPRGTOFASA-N 0 0 505.040 3.992 40 30 KHEBRN C=C(C)Cc1c2c3ccnc4c3n(c2ccc1OCC(=O)NCCN1CCOCC1)c(=O)c1ccccc14 ZINC000008764367 553138147 /nfs/dbraw/zinc/13/81/47/553138147.db2.gz YUGQSHCMDFBAKL-UHFFFAOYSA-N 0 0 510.594 3.538 40 30 biogenic KHEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1 ZINC000008834277 553160859 /nfs/dbraw/zinc/16/08/59/553160859.db2.gz GAUOUCCIUHNPBQ-RWUVGJFLSA-N 0 0 501.611 3.979 40 30 KHEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)c1 ZINC000008834278 553160864 /nfs/dbraw/zinc/16/08/64/553160864.db2.gz MPKIGTSRIYYVAM-RWUVGJFLSA-N 0 0 501.611 3.979 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000008834289 553160816 /nfs/dbraw/zinc/16/08/16/553160816.db2.gz OIRFJJBLPWKVCO-YMVIQGDUSA-N 0 0 500.023 3.614 40 30 KHEBRN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000008892205 553176536 /nfs/dbraw/zinc/17/65/36/553176536.db2.gz UFXHSRDYGJWIQE-NHTMILBNSA-N 0 0 509.562 3.829 40 30 KHEBRN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000008892449 553176811 /nfs/dbraw/zinc/17/68/11/553176811.db2.gz UFXHSRDYGJWIQE-XWGVYQGASA-N 0 0 509.562 3.829 40 30 KHEBRN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(OC)c1O ZINC000009235691 553225358 /nfs/dbraw/zinc/22/53/58/553225358.db2.gz JPOBIDPBVBCJPW-PXLXIMEGSA-N 0 0 509.584 3.641 40 30 KHEBRN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2C[C@@H]1CCCO1 ZINC000009557260 553279184 /nfs/dbraw/zinc/27/91/84/553279184.db2.gz UFWOLUGMQPOSNH-GIWHPOJPSA-N 0 0 502.567 3.678 40 30 KHEBRN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2C[C@H]1CCCO1 ZINC000009557556 553279177 /nfs/dbraw/zinc/27/91/77/553279177.db2.gz UFWOLUGMQPOSNH-QHBODZGPSA-N 0 0 502.567 3.678 40 30 KHEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000009672833 553293905 /nfs/dbraw/zinc/29/39/05/553293905.db2.gz PJNFQLOZNNQBOO-AHYKXKOGSA-N 0 0 522.392 3.730 40 30 KHEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000009672834 553293920 /nfs/dbraw/zinc/29/39/20/553293920.db2.gz PJNFQLOZNNQBOO-WOVYWWTOSA-N 0 0 522.392 3.730 40 30 KHEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000009672835 553293957 /nfs/dbraw/zinc/29/39/57/553293957.db2.gz PJNFQLOZNNQBOO-RDBACFOTSA-N 0 0 522.392 3.730 40 30 KHEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000009672836 553293889 /nfs/dbraw/zinc/29/38/89/553293889.db2.gz PJNFQLOZNNQBOO-XTDINYQCSA-N 0 0 522.392 3.730 40 30 KHEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1O ZINC000009672889 553293916 /nfs/dbraw/zinc/29/39/16/553293916.db2.gz JKEPKARZWJKMED-FSJXIACGSA-N 0 0 503.617 3.700 40 30 KHEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)ccc1O ZINC000009672891 553293963 /nfs/dbraw/zinc/29/39/63/553293963.db2.gz JKEPKARZWJKMED-XDCJIHQESA-N 0 0 503.617 3.700 40 30 KHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 ZINC000009694846 553300049 /nfs/dbraw/zinc/30/00/49/553300049.db2.gz ABKMXSWQNXPYSY-UHFFFAOYSA-N 0 0 510.591 3.807 40 30 KHEBRN C=CCn1c(SCCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)nnc1-c1ccc(Br)cc1 ZINC000009695109 553300272 /nfs/dbraw/zinc/30/02/72/553300272.db2.gz OQJXAGQQPHMHQW-UHFFFAOYSA-N 0 0 512.389 3.898 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000010000925 553325173 /nfs/dbraw/zinc/32/51/73/553325173.db2.gz LDXYDBCFHXIXEI-UHFFFAOYSA-N 0 0 501.996 3.796 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000010001453 553325154 /nfs/dbraw/zinc/32/51/54/553325154.db2.gz JEHNIKYETTWWAM-UHFFFAOYSA-N 0 0 511.604 3.541 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000010001526 553325176 /nfs/dbraw/zinc/32/51/76/553325176.db2.gz GAPFUVRHNWHKPX-UHFFFAOYSA-N 0 0 501.996 3.796 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000010041582 553326965 /nfs/dbraw/zinc/32/69/65/553326965.db2.gz RPWPIJYTWIYEQG-UHFFFAOYSA-N 0 0 519.986 3.935 40 30 KHEBRN COC(=O)[C@@H]1CCCN1C(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000012296291 553356975 /nfs/dbraw/zinc/35/69/75/553356975.db2.gz HNVKQHIRCIHFPJ-UENAGTMDSA-N 0 0 514.663 3.806 40 30 KHEBRN COC(=O)[C@H]1CCCN1C(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000012296292 553356976 /nfs/dbraw/zinc/35/69/76/553356976.db2.gz HNVKQHIRCIHFPJ-IYHACHTASA-N 0 0 514.663 3.806 40 30 KHEBRN CCCOc1ccc(/C=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OCCC)c1 ZINC000012311329 553357223 /nfs/dbraw/zinc/35/72/23/553357223.db2.gz LOYWVTYAUUVONE-XIEYBQDHSA-N 0 0 520.677 3.606 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3cc(OC)c(OC)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000012311737 553357734 /nfs/dbraw/zinc/35/77/34/553357734.db2.gz OTJSNNCCXJCXHF-ZVHZXABRSA-N 0 0 516.532 3.876 40 30 KHEBRN COc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N ZINC000012371771 553360540 /nfs/dbraw/zinc/36/05/40/553360540.db2.gz RLUDKPUBHQSHNS-UHFFFAOYSA-N 0 0 505.556 3.839 40 30 KHEBRN CN1C(=O)[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(I)cc1 ZINC000012417008 553365244 /nfs/dbraw/zinc/36/52/44/553365244.db2.gz AWPDEGOEXPVHMJ-LZICOFPGSA-N 0 0 510.313 3.790 40 30 KHEBRN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N/c1ccc(I)cc1 ZINC000012417010 553365255 /nfs/dbraw/zinc/36/52/55/553365255.db2.gz AWPDEGOEXPVHMJ-UDJKBAMHSA-N 0 0 510.313 3.790 40 30 KHEBRN C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC(C)(C)CC)c1cccc(OC)c1OC ZINC000012491365 553380895 /nfs/dbraw/zinc/38/08/95/553380895.db2.gz PMOPYMRHJIURRY-QHCPKHFHSA-N 0 0 500.596 3.780 40 30 KHEBRN C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC(C)(C)CC)c1cccc(OC)c1OC ZINC000012491372 553380880 /nfs/dbraw/zinc/38/08/80/553380880.db2.gz PMOPYMRHJIURRY-HSZRJFAPSA-N 0 0 500.596 3.780 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccc(OC)c(OC)c3OC)c([N+](=O)[O-])c2)cc1 ZINC000012529325 553385672 /nfs/dbraw/zinc/38/56/72/553385672.db2.gz RGDCECBTFWMFBH-ZVHZXABRSA-N 0 0 516.532 3.876 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3c(OC)cc(OC)cc3OC)c([N+](=O)[O-])c2)cc1 ZINC000012532466 553386543 /nfs/dbraw/zinc/38/65/43/553386543.db2.gz QMTIERNIHMGKDG-ZVHZXABRSA-N 0 0 516.532 3.876 40 30 KHEBRN COc1cc(OC)c(OC)cc1/C=N/n1c(-c2ccc3c(c2)OCCO3)cs/c1=N\C[C@@H]1CCCO1 ZINC000012542060 553389964 /nfs/dbraw/zinc/38/99/64/553389964.db2.gz UTVBXKBTGYVPTE-KUWKIQAFSA-N 0 0 511.600 3.976 40 30 KHEBRN COc1cc(OC)c(OC)cc1/C=N/n1c(-c2ccc3c(c2)OCCO3)cs/c1=N\C[C@H]1CCCO1 ZINC000012542061 553390029 /nfs/dbraw/zinc/39/00/29/553390029.db2.gz UTVBXKBTGYVPTE-KOZWZJSQSA-N 0 0 511.600 3.976 40 30 KHEBRN CN(C)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)n(-c3ccccc3)c2=O)cc1 ZINC000012564874 553396453 /nfs/dbraw/zinc/39/64/53/553396453.db2.gz SWOUQBHEUXIJDA-CGXKQFGFSA-N 0 0 501.011 3.760 40 30 KHEBRN CCN(CC)S(=O)(=O)c1ccc(N=NCc2cc(Br)c(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC000012570107 553398035 /nfs/dbraw/zinc/39/80/35/553398035.db2.gz QCPLTBYTMNDTHU-RGVLZGJSSA-N 0 0 501.359 3.548 40 30 KHEBRN CC(C)(C)P(=NC(=S)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)(N1CCOCC1)N1CCOCC1 ZINC000012589543 553400046 /nfs/dbraw/zinc/40/00/46/553400046.db2.gz SOCVQRCNPFEFEQ-PXLXIMEGSA-N 0 0 516.992 3.951 40 30 KHEBRN COC(=O)c1ccc(COc2ccc(/C=N/NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2OC)cc1 ZINC000012599566 553400872 /nfs/dbraw/zinc/40/08/72/553400872.db2.gz RDASTKZCXKRGPJ-AFUMVMLFSA-N 0 0 513.528 3.590 40 30 KHEBRN S=C(NCCN1CCOCC1)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000012622571 553404034 /nfs/dbraw/zinc/40/40/34/553404034.db2.gz DSIKRPITLGWLKU-TWKHWXDSSA-N 0 0 504.656 3.975 40 30 KHEBRN CCOC(=O)c1sc(N=NC(C(=O)OCC)C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000012625453 553405032 /nfs/dbraw/zinc/40/50/32/553405032.db2.gz XDVCMEPFBYQOHR-XQNSMLJCSA-N 0 0 505.505 3.532 40 30 KHEBRN CCOc1cc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)ccc1OCC(=O)N1CCOCC1 ZINC000012643476 553408631 /nfs/dbraw/zinc/40/86/31/553408631.db2.gz LCNQEXURBMKXNL-MZJWZYIUSA-N 0 0 510.538 3.662 40 30 KHEBRN O=S(=O)(c1ccc(Cl)c(NC(=S)N/N=C/c2ccc(Cl)c(Cl)c2)c1)N1CCOCC1 ZINC000012660644 553411885 /nfs/dbraw/zinc/41/18/85/553411885.db2.gz ROVIYNOZKGIDNQ-SSDVNMTOSA-N 0 0 507.852 3.988 40 30 KHEBRN C=C(C)O[C@H]1[C@H](SCC(=O)c2ccc(OC)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=C)C ZINC000012889267 553426509 /nfs/dbraw/zinc/42/65/09/553426509.db2.gz KWPXFPAQCORQMB-RXFVIIJJSA-N 0 0 508.589 3.668 40 30 KHEBRN COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2C)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000013138821 553453767 /nfs/dbraw/zinc/45/37/67/553453767.db2.gz LRUMHJWUSZOFLY-CYSRKNPXSA-N 0 0 505.040 3.992 40 30 KHEBRN Clc1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCCOC4)n3)o2)cc1Cl ZINC000013575085 553474877 /nfs/dbraw/zinc/47/48/77/553474877.db2.gz YYUOURGGNHQKLR-DHRITJCHSA-N 0 0 504.378 3.905 40 30 KHEBRN COc1cc([C@@H]2Cc3c4c(=O)n(-c5ccccc5)nc-4[nH]cc3C(=O)C2=CN(C)C)cc(OC)c1OC ZINC000013639734 553479067 /nfs/dbraw/zinc/47/90/67/553479067.db2.gz NSLAIRMLGRGPFE-IGCAKMCNSA-N 0 0 500.555 3.708 40 30 KHEBRN COc1cccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3cccc(C)c3)n(-c3ccc(C)cc3)c2=O)c1OC ZINC000013748385 553487526 /nfs/dbraw/zinc/48/75/26/553487526.db2.gz WAFZGFLSVYYJSJ-RPUCWDCMSA-N 0 0 511.603 3.675 40 30 KHEBRN COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2C)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000013865456 553493619 /nfs/dbraw/zinc/49/36/19/553493619.db2.gz LRUMHJWUSZOFLY-SMPUDCNGSA-N 0 0 505.040 3.992 40 30 KHEBRN CCOc1cc(/C=N/n2c(C)c(SC)c(C)c(C#N)c2=O)cc(Br)c1OCC(=O)N(C)C ZINC000014129599 553501463 /nfs/dbraw/zinc/50/14/63/553501463.db2.gz HRXMRKJXJHBEIC-OPEKNORGSA-N 0 0 521.437 3.569 40 30 KHEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000014154268 553504199 /nfs/dbraw/zinc/50/41/99/553504199.db2.gz YOXMQXYKYQGXSX-UHFFFAOYSA-N 0 0 511.575 3.974 40 30 KHEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2Cl)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000014359177 553513308 /nfs/dbraw/zinc/51/33/08/553513308.db2.gz XSAFGGIPCXNUIV-CYSRKNPXSA-N 0 0 516.023 3.793 40 30 KHEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2Cl)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000014359179 553513344 /nfs/dbraw/zinc/51/33/44/553513344.db2.gz XSAFGGIPCXNUIV-MPRGTOFASA-N 0 0 516.023 3.793 40 30 KHEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2Cl)ccc1OCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000014359181 553513354 /nfs/dbraw/zinc/51/33/54/553513354.db2.gz XSAFGGIPCXNUIV-SMPUDCNGSA-N 0 0 516.023 3.793 40 30 KHEBRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)NCCN2CCOCC2)cc1Cl ZINC000014359816 553513611 /nfs/dbraw/zinc/51/36/11/553513611.db2.gz TYSGEGPYMFQJIW-OGLMXYFKSA-N 0 0 513.067 3.722 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc([N-][NH+]=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)cc1 ZINC000014360102 553513796 /nfs/dbraw/zinc/51/37/96/553513796.db2.gz MFKZSBLZRSSWLS-OEAKJJBVSA-N 0 0 514.520 3.824 40 30 KHEBRN COc1cc(/C=N/n2c(-c3ccc(F)cc3)cs/c2=N\C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000014360239 553513770 /nfs/dbraw/zinc/51/37/70/553513770.db2.gz YFSYWXDAFJPJHC-HYINGMNUSA-N 0 0 510.591 3.547 40 30 KHEBRN C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c1 ZINC000014407807 553515792 /nfs/dbraw/zinc/51/57/92/553515792.db2.gz VXYWHFYNDYFWQA-NTWBUQQASA-N 0 0 508.599 3.964 40 30 KHEBRN C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc4ccccc42)C(C(=O)OCC)=C(C)N=3)c1 ZINC000014407811 553515777 /nfs/dbraw/zinc/51/57/77/553515777.db2.gz VXYWHFYNDYFWQA-XKGHIZKOSA-N 0 0 508.599 3.964 40 30 KHEBRN Oc1ccc(I)cc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000014920563 553521308 /nfs/dbraw/zinc/52/13/08/553521308.db2.gz AYQVZZJPAHFWJG-HMAPJEAMSA-N 0 0 507.380 3.608 40 30 KHEBRN Cc1ccc(Nc2nc(N=NCc3ccccc3I)nc(N3CCOCC3)n2)cc1 ZINC000015133374 553528041 /nfs/dbraw/zinc/52/80/41/553528041.db2.gz FDGDXFYFKDNOSE-OEAKJJBVSA-N 0 0 515.359 3.811 40 30 KHEBRN COc1ccc(Nc2nc(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(NCc3ccoc3)[nH]2)cc1 ZINC000015162339 553528463 /nfs/dbraw/zinc/52/84/63/553528463.db2.gz FCAQYGUKBNQOGV-OPEKNORGSA-N 0 0 504.463 3.912 40 30 KHEBRN COc1ccc(CCN2C(=O)/C(=C\c3nc(C#N)c(N4C[C@H](C)O[C@@H](C)C4)o3)SC2=S)cc1OC ZINC000015227214 553529277 /nfs/dbraw/zinc/52/92/77/553529277.db2.gz YNMARXAKXJLTRP-BGPUDBRWSA-N 0 0 514.629 3.621 40 30 KHEBRN COc1ccc(CCN2C(=O)/C(=C\c3nc(C#N)c(N4C[C@@H](C)O[C@H](C)C4)o3)SC2=S)cc1OC ZINC000015227216 553529316 /nfs/dbraw/zinc/52/93/16/553529316.db2.gz YNMARXAKXJLTRP-KJACSUPHSA-N 0 0 514.629 3.621 40 30 KHEBRN COc1ccc(CCN2C(=O)/C(=C\c3nc(C#N)c(N4C[C@@H](C)O[C@@H](C)C4)o3)SC2=S)cc1OC ZINC000015227218 553529340 /nfs/dbraw/zinc/52/93/40/553529340.db2.gz YNMARXAKXJLTRP-ZCEMTOSDSA-N 0 0 514.629 3.621 40 30 KHEBRN CCOc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCC(=O)Nc1ccccc1C ZINC000015228365 553529506 /nfs/dbraw/zinc/52/95/06/553529506.db2.gz JOFMSQHLBJFLIT-WKULSOCRSA-N 0 0 508.554 3.623 40 30 KHEBRN Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/n1c2nncn2nc(C(C)(C)C)c1=O ZINC000015230839 1066881247 /nfs/dbraw/zinc/88/12/47/1066881247.db2.gz JMUTWARWIQLOCS-RPPGKUMJSA-N 0 0 509.364 3.756 40 30 KHEBRN N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C\c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000015906609 553540536 /nfs/dbraw/zinc/54/05/36/553540536.db2.gz QNYZRXNSJXWCSW-BBMOIHPLSA-N 0 0 518.440 3.531 40 30 KHEBRN C/C(=N\NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OC(F)F ZINC000015913437 553542110 /nfs/dbraw/zinc/54/21/10/553542110.db2.gz HKXJPMJLYJYJOC-DHRITJCHSA-N 0 0 518.995 3.673 40 30 KHEBRN C/C(=N\N1/C(=N/c2cccnc2)SC[C@@]1(O)c1ccc2c(c1)NC(=O)CO2)c1ccc(C)c([N+](=O)[O-])c1 ZINC000015980731 553548690 /nfs/dbraw/zinc/54/86/90/553548690.db2.gz ZIXBUOXEUXVCDE-VJSCDNFNSA-N 0 0 518.555 3.935 40 30 KHEBRN C/C(=N\NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000016035529 553552115 /nfs/dbraw/zinc/55/21/15/553552115.db2.gz NCSQCXZPSUFHED-MTDXEUNCSA-N 0 0 506.653 3.989 40 30 KHEBRN COc1ccc(-c2cc3c(C#N)c(=O)n(-c4ccc(OC)cc4)nc3c(=O)n2/N=C/c2ccccc2)cc1 ZINC000016217432 553557025 /nfs/dbraw/zinc/55/70/25/553557025.db2.gz MNEDBGQEAVWSHB-FDAWAROLSA-N 0 0 503.518 3.985 40 30 KHEBRN COc1ccccc1/C=N/n1c(-c2ccccc2OC)cc2c(C#N)c(=O)n(-c3ccccc3)nc2c1=O ZINC000016228353 553557549 /nfs/dbraw/zinc/55/75/49/553557549.db2.gz WSWITOBIVCKOHU-FDAWAROLSA-N 0 0 503.518 3.985 40 30 KHEBRN COc1ccc(OC)c(NC(=S)N=C(NCCSCc2[nH]cnc2C)Nc2nc(C)cc(C)n2)c1 ZINC000016283537 553558366 /nfs/dbraw/zinc/55/83/66/553558366.db2.gz GKKKQBZKEAFZKV-UHFFFAOYSA-N 0 0 514.681 3.830 40 30 KHEBRN O=[N+]([O-])c1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)ccc1Br ZINC000016428719 553563159 /nfs/dbraw/zinc/56/31/59/553563159.db2.gz JSDBQVYWEKUDIH-FSJBWODESA-N 0 0 517.319 3.708 40 30 KHEBRN COC(=O)C1=C(C)[C@@](C(=O)OC)(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(C)=C1c1ccccc1 ZINC000016606310 553569012 /nfs/dbraw/zinc/56/90/12/553569012.db2.gz JLJMWRZZYOZNDH-SDEVNZIBSA-N 0 0 523.502 3.727 40 30 KHEBRN COC(=O)C1=C(C)[C@](C(=O)OC)(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(C)=C1c1ccccc1 ZINC000016606313 553568977 /nfs/dbraw/zinc/56/89/77/553568977.db2.gz JLJMWRZZYOZNDH-OSYJHYBZSA-N 0 0 523.502 3.727 40 30 KHEBRN CCOC(=O)/C(=N\Nc1ccccc1)[P@@](=O)(/N=c1\sn(-c2ccccc2)nc1C(=O)OCC)OC ZINC000016682974 553572672 /nfs/dbraw/zinc/57/26/72/553572672.db2.gz MCMAXHCDTOTOAB-AKHAHJDJSA-N 0 0 517.504 3.839 40 30 KHEBRN CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Br)c(OCC)c(OCC)c1 ZINC000016741050 553579614 /nfs/dbraw/zinc/57/96/14/553579614.db2.gz AWQWKBPHBHEPIH-QBHSARBISA-N 0 0 505.456 3.648 40 30 KHEBRN CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Br)c(OCC)c(OCC)c1 ZINC000016741051 553579577 /nfs/dbraw/zinc/57/95/77/553579577.db2.gz AWQWKBPHBHEPIH-RKJYKYFPSA-N 0 0 505.456 3.648 40 30 KHEBRN CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Br)c(OCC)c(OCC)c1 ZINC000016741052 553579637 /nfs/dbraw/zinc/57/96/37/553579637.db2.gz AWQWKBPHBHEPIH-NLSZPPFWSA-N 0 0 505.456 3.648 40 30 KHEBRN CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Br)c(OCC)c(OCC)c1 ZINC000016741053 553579610 /nfs/dbraw/zinc/57/96/10/553579610.db2.gz AWQWKBPHBHEPIH-QBELJNMPSA-N 0 0 505.456 3.648 40 30 KHEBRN COc1ccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1 ZINC000016754901 553581075 /nfs/dbraw/zinc/58/10/75/553581075.db2.gz GAUOUCCIUHNPBQ-IPVOUAOMSA-N 0 0 501.611 3.979 40 30 KHEBRN COc1cccc(NC(=O)CC2S/C(=N/S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)c1 ZINC000016754904 553581067 /nfs/dbraw/zinc/58/10/67/553581067.db2.gz MPKIGTSRIYYVAM-IPVOUAOMSA-N 0 0 501.611 3.979 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000016754934 553581098 /nfs/dbraw/zinc/58/10/98/553581098.db2.gz OIRFJJBLPWKVCO-JJTBQNNYSA-N 0 0 500.023 3.614 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000016754938 553581073 /nfs/dbraw/zinc/58/10/73/553581073.db2.gz DNQOUMULSFJVQO-JJTBQNNYSA-N 0 0 500.023 3.614 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N/S(=O)(=O)c1ccc(Cl)s1 ZINC000016754942 553581012 /nfs/dbraw/zinc/58/10/12/553581012.db2.gz DNQOUMULSFJVQO-YMVIQGDUSA-N 0 0 500.023 3.614 40 30 KHEBRN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)sc2nc3ccccc3n12 ZINC000016807462 553583420 /nfs/dbraw/zinc/58/34/20/553583420.db2.gz VEVOKOKOZXKQPH-HXUWFJFHSA-N 0 0 508.625 3.829 40 30 KHEBRN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)sc2nc3ccccc3n12 ZINC000016807464 553583477 /nfs/dbraw/zinc/58/34/77/553583477.db2.gz VEVOKOKOZXKQPH-FQEVSTJZSA-N 0 0 508.625 3.829 40 30 KHEBRN C=C1C(=O)[C@@]23[C@H]4OC(C)(C)O[C@@H]2C[C@@H]2C(C)(C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC(C)=O)C[C@@]14OC(C)=O ZINC000016918694 553583898 /nfs/dbraw/zinc/58/38/98/553583898.db2.gz OIXLIHYKMPAROR-RYEXDNTRSA-N 0 0 532.630 3.663 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C2\CC/C(=N\NS(=O)(=O)c3ccc(C)cc3)[C@H]3CC=CC[C@H]23)cc1 ZINC000016939733 553584045 /nfs/dbraw/zinc/58/40/45/553584045.db2.gz XNSLJTSWSJBOAC-QVSKVSGFSA-N 0 0 500.646 3.648 40 30 KHEBRN C/C(=N\NC(=S)N1CCC(C2CCN(C(=S)N/N=C(\C)c3ccccn3)CC2)CC1)c1ccccn1 ZINC000016941038 553584124 /nfs/dbraw/zinc/58/41/24/553584124.db2.gz MOOLQJQPXAPSKQ-CZYCKNNWSA-N 0 0 522.748 3.798 40 30 KHEBRN C/C(=N\NC(=S)N1CCC(C2CCN(C(=S)N/N=C(/C)c3ccccn3)CC2)CC1)c1ccccn1 ZINC000017140999 553588860 /nfs/dbraw/zinc/58/88/60/553588860.db2.gz MOOLQJQPXAPSKQ-GOLAWLNDSA-N 0 0 522.748 3.798 40 30 KHEBRN C/C(=N/NC(=S)N1CCC(C2CCN(C(=S)N/N=C(/C)c3ccccn3)CC2)CC1)c1ccccn1 ZINC000017141001 553588946 /nfs/dbraw/zinc/58/89/46/553588946.db2.gz MOOLQJQPXAPSKQ-NAZWXXJZSA-N 0 0 522.748 3.798 40 30 KHEBRN COc1cc(C(=O)CC(CCC(=O)Nc2ccc(Cl)cc2Cl)N=Nc2nnc(C)n2N)ccc1O ZINC000017194838 553590206 /nfs/dbraw/zinc/59/02/06/553590206.db2.gz LDSAQOQBACXQAQ-MBTHVWNTSA-N 0 0 520.377 3.781 40 30 KHEBRN COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000017574510 553597925 /nfs/dbraw/zinc/59/79/25/553597925.db2.gz UALNPHZZBNFEHQ-VULFUBBASA-N 0 0 522.543 3.558 40 30 KHEBRN CC(=O)Nc1ccc(S(=O)(=O)NC(=Nc2nc(C)cc(C)n2)NCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000018063640 553602812 /nfs/dbraw/zinc/60/28/12/553602812.db2.gz XGXUBTWEFMZQIK-UHFFFAOYSA-N 0 0 523.594 3.661 40 30 KHEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)CSc2nnc(N)s2)n1 ZINC000018077337 553603445 /nfs/dbraw/zinc/60/34/45/553603445.db2.gz MUZVBCVATJJLEG-UHFFFAOYSA-N 0 0 516.056 3.581 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019857957 553628871 /nfs/dbraw/zinc/62/88/71/553628871.db2.gz JYEVLAIIFGOVMB-YDFBLROQSA-N 0 0 527.595 3.708 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019857961 553628929 /nfs/dbraw/zinc/62/89/29/553628929.db2.gz JYEVLAIIFGOVMB-RXYZOABWSA-N 0 0 527.595 3.708 40 30 KHEBRN C=CCN1C(=S)N(c2ccc(C(=O)OCC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000020168904 553601762 /nfs/dbraw/zinc/60/17/62/553601762.db2.gz WUVXSZOUYVAVSB-NRFANRHFSA-N 0 0 509.584 3.557 40 30 KHEBRN C=CCN1C(=S)N(c2ccc(C(=O)OCC)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000020168906 553601791 /nfs/dbraw/zinc/60/17/91/553601791.db2.gz WUVXSZOUYVAVSB-OAQYLSRUSA-N 0 0 509.584 3.557 40 30 KHEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)ccc1O ZINC000020175785 553601922 /nfs/dbraw/zinc/60/19/22/553601922.db2.gz JKEPKARZWJKMED-OTPBECDQSA-N 0 0 503.617 3.700 40 30 KHEBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(NN=Cc3ccc(OCC)cc3)[nH]2)c(C#N)c1C ZINC000020176188 553602144 /nfs/dbraw/zinc/60/21/44/553602144.db2.gz VDQBTACEJGAEIF-BHGWPJFGSA-N 0 0 513.605 3.799 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020190389 553605237 /nfs/dbraw/zinc/60/52/37/553605237.db2.gz PVEXLLVMEXDXRJ-PRPYNDMISA-N 0 0 533.643 3.622 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000020190398 553605312 /nfs/dbraw/zinc/60/53/12/553605312.db2.gz VNCYSQOIBUCSSL-OAJKGFPOSA-N 0 0 533.643 3.622 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000020190412 553605307 /nfs/dbraw/zinc/60/53/07/553605307.db2.gz XQSQEUYGDKJYJS-PRPYNDMISA-N 0 0 503.617 3.613 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000020190472 553605543 /nfs/dbraw/zinc/60/55/43/553605543.db2.gz NKWLCUSQAKKJBF-ONTRVFCTSA-N 0 0 502.589 3.813 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000020190593 553605639 /nfs/dbraw/zinc/60/56/39/553605639.db2.gz OMFYJLGJUIYCMO-PRPYNDMISA-N 0 0 501.601 3.521 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000020190661 553605601 /nfs/dbraw/zinc/60/56/01/553605601.db2.gz 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553753853 /nfs/dbraw/zinc/75/38/53/553753853.db2.gz CKHANPVIAJSIIR-IVNHJSRESA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000022828355 553753847 /nfs/dbraw/zinc/75/38/47/553753847.db2.gz CKHANPVIAJSIIR-PBMMVTTKSA-N 0 0 504.608 3.762 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@]12c1cc(Br)ccc1NC2=O ZINC000022833608 553755991 /nfs/dbraw/zinc/75/59/91/553755991.db2.gz AGJVDQRBUKDFQX-DLUDVSRJSA-N 0 0 509.356 3.803 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@]12c1cc(Br)ccc1NC2=O ZINC000022833610 553756074 /nfs/dbraw/zinc/75/60/74/553756074.db2.gz AGJVDQRBUKDFQX-HWRSSNJWSA-N 0 0 509.356 3.803 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@]12c1cc(Br)ccc1NC2=O ZINC000022833613 553756004 /nfs/dbraw/zinc/75/60/04/553756004.db2.gz AGJVDQRBUKDFQX-PWECECGKSA-N 0 0 509.356 3.803 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@]12c1cc(Br)ccc1NC2=O ZINC000022833617 553756015 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1066881587 /nfs/dbraw/zinc/88/15/87/1066881587.db2.gz KVIQAJUVEPUQKT-WLPTYJMBSA-N 0 0 504.608 3.630 40 30 KHEBRN C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 ZINC000028466699 1066882080 /nfs/dbraw/zinc/88/20/80/1066882080.db2.gz BZWVHEHKDWDWME-OAQYLSRUSA-N 0 0 509.946 3.865 40 30 KHEBRN C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 ZINC000028466704 1066882249 /nfs/dbraw/zinc/88/22/49/1066882249.db2.gz BZWVHEHKDWDWME-NRFANRHFSA-N 0 0 509.946 3.865 40 30 KHEBRN C#CCOc1c(I)cc(CN=Nc2nc(C)cc(COC)c2C#N)cc1OCC ZINC000032099970 553862637 /nfs/dbraw/zinc/86/26/37/553862637.db2.gz AVFCGCDPCCLPDL-MSXFZWOLSA-N 0 0 504.328 3.869 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2c(Cl)cccc2Cl)cc1OC ZINC000032503925 553867547 /nfs/dbraw/zinc/86/75/47/553867547.db2.gz WYVJOLOHBRDASL-IJSGXKNNSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2c(Cl)cccc2Cl)cc1OC ZINC000032503927 553867631 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/nfs/dbraw/zinc/86/81/25/553868125.db2.gz BXKCHBHCHGGCDR-PQMPYDDTSA-N 0 0 519.483 3.894 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000032506440 553868100 /nfs/dbraw/zinc/86/81/00/553868100.db2.gz VYKHJPWJJNFRDI-FOFBWMLKSA-N 0 0 514.547 3.567 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000032506442 553868106 /nfs/dbraw/zinc/86/81/06/553868106.db2.gz VYKHJPWJJNFRDI-ZAAFALQESA-N 0 0 514.547 3.567 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000032506444 553868093 /nfs/dbraw/zinc/86/80/93/553868093.db2.gz VYKHJPWJJNFRDI-WMCBDBMJSA-N 0 0 514.547 3.567 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000032506446 553868086 /nfs/dbraw/zinc/86/80/86/553868086.db2.gz VYKHJPWJJNFRDI-CFOWBDCSSA-N 0 0 514.547 3.567 40 30 KHEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000032506484 553868136 /nfs/dbraw/zinc/86/81/36/553868136.db2.gz VJFZDEFTRQCXHE-LHUFXSHWSA-N 0 0 501.374 3.571 40 30 KHEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000032506486 553868112 /nfs/dbraw/zinc/86/81/12/553868112.db2.gz VJFZDEFTRQCXHE-XWFMMPOZSA-N 0 0 501.374 3.571 40 30 KHEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000032506488 553868133 /nfs/dbraw/zinc/86/81/33/553868133.db2.gz VJFZDEFTRQCXHE-ZKACAFABSA-N 0 0 501.374 3.571 40 30 KHEBRN O=C(Cc1ccc(F)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000032506490 553868115 /nfs/dbraw/zinc/86/81/15/553868115.db2.gz VJFZDEFTRQCXHE-JLBSRVSVSA-N 0 0 501.374 3.571 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2Cl)cc1OC ZINC000032506599 553868152 /nfs/dbraw/zinc/86/81/52/553868152.db2.gz HDOXNSPCMMVTSK-IJSGXKNNSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(Cl)c2Cl)cc1OC ZINC000032506601 553868150 /nfs/dbraw/zinc/86/81/50/553868150.db2.gz HDOXNSPCMMVTSK-RPWPIJLRSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2Cl)cc1OC ZINC000032506602 553868087 /nfs/dbraw/zinc/86/80/87/553868087.db2.gz HDOXNSPCMMVTSK-IBFQDPOMSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(Cl)c2Cl)cc1OC ZINC000032506603 553868161 /nfs/dbraw/zinc/86/81/61/553868161.db2.gz HDOXNSPCMMVTSK-IJGIJXRPSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000032507385 553868424 /nfs/dbraw/zinc/86/84/24/553868424.db2.gz NIGFEWKBIMVQOX-WGICHRRSSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000032507386 553868413 /nfs/dbraw/zinc/86/84/13/553868413.db2.gz NIGFEWKBIMVQOX-FQCZDGKXSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000032507387 553868449 /nfs/dbraw/zinc/86/84/49/553868449.db2.gz NIGFEWKBIMVQOX-XIRWQIPHSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000032507388 553868459 /nfs/dbraw/zinc/86/84/59/553868459.db2.gz NIGFEWKBIMVQOX-BFNGYNHWSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2Cl)cc1OC ZINC000032507621 553868673 /nfs/dbraw/zinc/86/86/73/553868673.db2.gz VICTXJAODFUWFF-WGICHRRSSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)ccc2Cl)cc1OC ZINC000032507622 553868666 /nfs/dbraw/zinc/86/86/66/553868666.db2.gz VICTXJAODFUWFF-FQCZDGKXSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)ccc2Cl)cc1OC ZINC000032507623 553868635 /nfs/dbraw/zinc/86/86/35/553868635.db2.gz VICTXJAODFUWFF-XIRWQIPHSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)ccc2Cl)cc1OC ZINC000032507624 553868648 /nfs/dbraw/zinc/86/86/48/553868648.db2.gz VICTXJAODFUWFF-BFNGYNHWSA-N 0 0 515.440 3.855 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000032634361 553870556 /nfs/dbraw/zinc/87/05/56/553870556.db2.gz BBSQFRKKWAQRQX-ANHMTHPGSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl ZINC000032634362 553870564 /nfs/dbraw/zinc/87/05/64/553870564.db2.gz BBSQFRKKWAQRQX-HIRQAHROSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000032634363 553870519 /nfs/dbraw/zinc/87/05/19/553870519.db2.gz BBSQFRKKWAQRQX-BQIFBJFJSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl ZINC000032634364 553870503 /nfs/dbraw/zinc/87/05/03/553870503.db2.gz BBSQFRKKWAQRQX-RTUXEJRESA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000032634401 553870496 /nfs/dbraw/zinc/87/04/96/553870496.db2.gz HLHAJRSFFPMSQC-OTSMZHERSA-N 0 0 517.629 3.605 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000032634402 553870575 /nfs/dbraw/zinc/87/05/75/553870575.db2.gz HLHAJRSFFPMSQC-SBLBCILWSA-N 0 0 517.629 3.605 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000032634403 553870548 /nfs/dbraw/zinc/87/05/48/553870548.db2.gz HLHAJRSFFPMSQC-HOVHKQMYSA-N 0 0 517.629 3.605 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000032634404 553870567 /nfs/dbraw/zinc/87/05/67/553870567.db2.gz HLHAJRSFFPMSQC-ZLDSNXLKSA-N 0 0 517.629 3.605 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000032634732 553870863 /nfs/dbraw/zinc/87/08/63/553870863.db2.gz VAWZCMMULBEZQV-DNRSRTTPSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl ZINC000032634733 553870836 /nfs/dbraw/zinc/87/08/36/553870836.db2.gz VAWZCMMULBEZQV-HKKHXYRBSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000032634734 553870808 /nfs/dbraw/zinc/87/08/08/553870808.db2.gz VAWZCMMULBEZQV-YBZSAHNDSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl ZINC000032634735 553870795 /nfs/dbraw/zinc/87/07/95/553870795.db2.gz VAWZCMMULBEZQV-KJSDEICGSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000032635084 553871145 /nfs/dbraw/zinc/87/11/45/553871145.db2.gz NRTYYGBSGAVOQS-ANHMTHPGSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl ZINC000032635085 553871154 /nfs/dbraw/zinc/87/11/54/553871154.db2.gz NRTYYGBSGAVOQS-HIRQAHROSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000032635086 553871146 /nfs/dbraw/zinc/87/11/46/553871146.db2.gz NRTYYGBSGAVOQS-BQIFBJFJSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl ZINC000032635087 553871161 /nfs/dbraw/zinc/87/11/61/553871161.db2.gz NRTYYGBSGAVOQS-RTUXEJRESA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000032635390 553871127 /nfs/dbraw/zinc/87/11/27/553871127.db2.gz IFXQXFZQEMGTMJ-DNRSRTTPSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000032635391 553871141 /nfs/dbraw/zinc/87/11/41/553871141.db2.gz IFXQXFZQEMGTMJ-HKKHXYRBSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000032635392 553871157 /nfs/dbraw/zinc/87/11/57/553871157.db2.gz IFXQXFZQEMGTMJ-YBZSAHNDSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000032635393 553871156 /nfs/dbraw/zinc/87/11/56/553871156.db2.gz IFXQXFZQEMGTMJ-KJSDEICGSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000032639284 553871356 /nfs/dbraw/zinc/87/13/56/553871356.db2.gz BGKADBMEZKDINX-DNRSRTTPSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl ZINC000032639285 553871304 /nfs/dbraw/zinc/87/13/04/553871304.db2.gz BGKADBMEZKDINX-HKKHXYRBSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000032639286 553871342 /nfs/dbraw/zinc/87/13/42/553871342.db2.gz BGKADBMEZKDINX-YBZSAHNDSA-N 0 0 508.449 3.510 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl ZINC000032639287 553871257 /nfs/dbraw/zinc/87/12/57/553871257.db2.gz BGKADBMEZKDINX-KJSDEICGSA-N 0 0 508.449 3.510 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000032639304 553871312 /nfs/dbraw/zinc/87/13/12/553871312.db2.gz KOUWDSDWCZUXKZ-FBILQTODSA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000032639305 553871366 /nfs/dbraw/zinc/87/13/66/553871366.db2.gz KOUWDSDWCZUXKZ-XWGOGYMWSA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000032639306 553871581 /nfs/dbraw/zinc/87/15/81/553871581.db2.gz KOUWDSDWCZUXKZ-ZWTLYLSISA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000032639307 553871627 /nfs/dbraw/zinc/87/16/27/553871627.db2.gz KOUWDSDWCZUXKZ-JFOZHCFESA-N 0 0 515.838 3.783 40 30 KHEBRN Clc1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)c(Cl)c1 ZINC000033388335 553958149 /nfs/dbraw/zinc/95/81/49/553958149.db2.gz QBBYLEJZHDSBBI-QFEZKATASA-N 0 0 504.378 3.558 40 30 KHEBRN Clc1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)cc1Cl ZINC000033395584 553958476 /nfs/dbraw/zinc/95/84/76/553958476.db2.gz OLZHLCRPFPRWMH-QFEZKATASA-N 0 0 504.378 3.558 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(OC)cc1 ZINC000033396639 553958729 /nfs/dbraw/zinc/95/87/29/553958729.db2.gz CGDKNLFQSAZCBE-UHFFFAOYSA-N 0 0 516.421 3.896 40 30 KHEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NC1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000033411928 553959160 /nfs/dbraw/zinc/95/91/60/553959160.db2.gz YKTMBAYIUBTCSS-YIBWHORKSA-N 0 0 508.556 3.956 40 30 KHEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NC1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000033411929 553959232 /nfs/dbraw/zinc/95/92/32/553959232.db2.gz YKTMBAYIUBTCSS-YTJFNGROSA-N 0 0 508.556 3.956 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033528960 553961773 /nfs/dbraw/zinc/96/17/73/553961773.db2.gz YBJWDLPVDRIGFT-FQEVSTJZSA-N 0 0 516.023 3.629 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033528961 553961777 /nfs/dbraw/zinc/96/17/77/553961777.db2.gz YBJWDLPVDRIGFT-HXUWFJFHSA-N 0 0 516.023 3.629 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033552666 553962597 /nfs/dbraw/zinc/96/25/97/553962597.db2.gz PFWNLARQMYPLPH-INIZCTEOSA-N 0 0 510.576 3.911 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000033552667 553962559 /nfs/dbraw/zinc/96/25/59/553962559.db2.gz PFWNLARQMYPLPH-MRXNPFEDSA-N 0 0 510.576 3.911 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033559770 553962601 /nfs/dbraw/zinc/96/26/01/553962601.db2.gz MIRVKWABWOUNLZ-KRWDZBQOSA-N 0 0 524.603 3.840 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000033559772 553962583 /nfs/dbraw/zinc/96/25/83/553962583.db2.gz MIRVKWABWOUNLZ-QGZVFWFLSA-N 0 0 524.603 3.840 40 30 KHEBRN COC(=O)C1=C(C)[C@@](C(=O)OC)(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(C)=C1c1ccccc1 ZINC000033560913 553962606 /nfs/dbraw/zinc/96/26/06/553962606.db2.gz JLJMWRZZYOZNDH-YABZZONLSA-N 0 0 523.502 3.727 40 30 KHEBRN COC(=O)C1=C(C)[C@](C(=O)OC)(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(C)=C1c1ccccc1 ZINC000033560914 553962566 /nfs/dbraw/zinc/96/25/66/553962566.db2.gz JLJMWRZZYOZNDH-VMBKIOOXSA-N 0 0 523.502 3.727 40 30 KHEBRN O=S(=O)(c1ccc(NC(=S)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)cc1)N1CCOCC1 ZINC000033615652 553964345 /nfs/dbraw/zinc/96/43/45/553964345.db2.gz DEDSNFHSSMTZBM-IDJUBOEBSA-N 0 0 522.652 3.922 40 30 KHEBRN O=S(=O)(c1ccc(NC(=S)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)cc1)N1CCOCC1 ZINC000033615653 553964322 /nfs/dbraw/zinc/96/43/22/553964322.db2.gz DEDSNFHSSMTZBM-RAMZYJDASA-N 0 0 522.652 3.922 40 30 KHEBRN C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000033622955 553964710 /nfs/dbraw/zinc/96/47/10/553964710.db2.gz MSDQBMIVUALBAZ-UHFFFAOYSA-N 0 0 516.023 3.838 40 30 KHEBRN COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2C)cc1 ZINC000033660398 553966515 /nfs/dbraw/zinc/96/65/15/553966515.db2.gz MFVOILXRQQXADP-AWEZNQCLSA-N 0 0 510.645 3.857 40 30 KHEBRN 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509.632 3.538 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000034794058 554008829 /nfs/dbraw/zinc/00/88/29/554008829.db2.gz UPWADFURZHVWEF-NRFANRHFSA-N 0 0 509.632 3.538 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000034828260 554011897 /nfs/dbraw/zinc/01/18/97/554011897.db2.gz JCFYTPIVTBUZPV-HXUWFJFHSA-N 0 0 516.023 3.629 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000034828261 554011893 /nfs/dbraw/zinc/01/18/93/554011893.db2.gz JCFYTPIVTBUZPV-FQEVSTJZSA-N 0 0 516.023 3.629 40 30 KHEBRN C=CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000034849415 554021329 /nfs/dbraw/zinc/02/13/29/554021329.db2.gz LIVYMMQSNQWCLK-UHFFFAOYSA-N 0 0 503.987 3.969 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000034856696 554021534 /nfs/dbraw/zinc/02/15/34/554021534.db2.gz FALGEIBFCJKPKU-XWRIVVANSA-N 0 0 503.617 3.613 40 30 KHEBRN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000034869284 554022318 /nfs/dbraw/zinc/02/23/18/554022318.db2.gz OBXRXAMEXYWBTN-UHFFFAOYSA-N 0 0 524.672 3.822 40 30 KHEBRN C/C(=N/NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1OC(F)F ZINC000034881079 554023118 /nfs/dbraw/zinc/02/31/18/554023118.db2.gz HKXJPMJLYJYJOC-MXAYSNPKSA-N 0 0 518.995 3.673 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(OC)c1 ZINC000034896235 554023685 /nfs/dbraw/zinc/02/36/85/554023685.db2.gz CAESSPBLCMKVGF-UHFFFAOYSA-N 0 0 516.421 3.896 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000035127101 554035065 /nfs/dbraw/zinc/03/50/65/554035065.db2.gz QVNVCLFWVZSZME-INIZCTEOSA-N 0 0 510.576 3.532 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000035127104 554035004 /nfs/dbraw/zinc/03/50/04/554035004.db2.gz QVNVCLFWVZSZME-MRXNPFEDSA-N 0 0 510.576 3.532 40 30 KHEBRN CCN(CC)c1ccc(/C=c2/sc(=C(C#N)C#N)nc2-c2ccc(OC(C)=O)cc2)c(OC(C)=O)c1 ZINC000035196365 554041337 /nfs/dbraw/zinc/04/13/37/554041337.db2.gz SDSJYZIEPFWRJS-DHRITJCHSA-N 0 0 500.580 3.534 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035199192 554041557 /nfs/dbraw/zinc/04/15/57/554041557.db2.gz WEEVTKXPQZKFNU-JOCHJYFZSA-N 0 0 509.632 3.790 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000035199197 554041670 /nfs/dbraw/zinc/04/16/70/554041670.db2.gz WEEVTKXPQZKFNU-QFIPXVFZSA-N 0 0 509.632 3.790 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000035240915 554042219 /nfs/dbraw/zinc/04/22/19/554042219.db2.gz ARYKETISLVXUSG-VQUVXCFPSA-N 0 0 511.596 3.702 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000035395978 554047323 /nfs/dbraw/zinc/04/73/23/554047323.db2.gz NKWLCUSQAKKJBF-XWRIVVANSA-N 0 0 502.589 3.813 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000035395980 554047227 /nfs/dbraw/zinc/04/72/27/554047227.db2.gz NKWLCUSQAKKJBF-RFVSGWPVSA-N 0 0 502.589 3.813 40 30 KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000035396064 554047231 /nfs/dbraw/zinc/04/72/31/554047231.db2.gz OMFYJLGJUIYCMO-XDCJIHQESA-N 0 0 501.601 3.521 40 30 KHEBRN C=CC(=C)CC[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)[C@@H](O)[C@H]1C ZINC000035464963 291800887 /nfs/dbraw/zinc/80/08/87/291800887.db2.gz BEFBCLTWLOLKAQ-SWTCJCBESA-N 0 0 534.646 3.586 40 30 biogenic,in-vitro KHEBRN C=CC(=C)CC[C@]1(C)[C@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)[C@@H](O)[C@H]1C ZINC000035464966 291800886 /nfs/dbraw/zinc/80/08/86/291800886.db2.gz BEFBCLTWLOLKAQ-XXUAMJQKSA-N 0 0 534.646 3.586 40 30 biogenic,in-vitro KHEBRN C=CC(=C)CC[C@]1(C)[C@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)[C@@H](O)[C@H]1C ZINC000035464969 554056285 /nfs/dbraw/zinc/05/62/85/554056285.db2.gz BEFBCLTWLOLKAQ-ZRWUOFBDSA-N 0 0 534.646 3.586 40 30 biogenic,in-vitro KHEBRN C=CC(=C)CC[C@]1(C)[C@H]2C[C@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)[C@@H](O)[C@H]1C ZINC000035464972 291800883 /nfs/dbraw/zinc/80/08/83/291800883.db2.gz BEFBCLTWLOLKAQ-BLOUEGHXSA-N 0 0 534.646 3.586 40 30 biogenic,in-vitro KHEBRN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000035877277 554087804 /nfs/dbraw/zinc/08/78/04/554087804.db2.gz SNQPUVQCUCCBCB-VQUVXCFPSA-N 0 0 503.617 3.613 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000036037537 554146487 /nfs/dbraw/zinc/14/64/87/554146487.db2.gz JYEVLAIIFGOVMB-ARBPTSGCSA-N 0 0 527.595 3.708 40 30 KHEBRN 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C=CCN1C(C(=O)c2ccccc2)=C(NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc2S1(=O)=O ZINC000036612698 554226082 /nfs/dbraw/zinc/22/60/82/554226082.db2.gz QKYBPPBCQHMDHY-UHFFFAOYSA-N 0 0 518.591 3.805 40 30 KHEBRN CCOC(=O)CN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000036612722 554226086 /nfs/dbraw/zinc/22/60/86/554226086.db2.gz BYXOSOCUJJJFJC-UHFFFAOYSA-N 0 0 509.511 3.802 40 30 KHEBRN CC1CCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)cc2)CC1 ZINC000036627810 554227863 /nfs/dbraw/zinc/22/78/63/554227863.db2.gz GJBOCAXENDPYQG-UHFFFAOYSA-N 0 0 505.644 3.956 40 30 KHEBRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)cc2)C1 ZINC000036627885 554227898 /nfs/dbraw/zinc/22/78/98/554227898.db2.gz OEUCNRVIPAPYJA-OAQYLSRUSA-N 0 0 505.644 3.956 40 30 KHEBRN C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)cc2)C1 ZINC000036627889 554227879 /nfs/dbraw/zinc/22/78/79/554227879.db2.gz OEUCNRVIPAPYJA-NRFANRHFSA-N 0 0 505.644 3.956 40 30 KHEBRN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)o2)cc1 ZINC000036628744 554229549 /nfs/dbraw/zinc/22/95/49/554229549.db2.gz JSQWOPJKNNBIDH-JXMROGBWSA-N 0 0 504.543 3.713 40 30 KHEBRN COc1cc(C(=O)N2CCN(c3oc(/C=C/c4ccc([N+](=O)[O-])cc4)nc3C#N)CC2)cc(OC)c1OC ZINC000036628843 554229493 /nfs/dbraw/zinc/22/94/93/554229493.db2.gz PRQDXURBTNIASR-RMKNXTFCSA-N 0 0 519.514 3.613 40 30 KHEBRN COc1ccccc1/C=C/c1nc(C#N)c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)o1 ZINC000036628943 554229505 /nfs/dbraw/zinc/22/95/05/554229505.db2.gz ZWDAGSIELBDYQJ-MDZDMXLPSA-N 0 0 504.543 3.713 40 30 KHEBRN COc1cc(C(=O)N2CCN(c3oc(/C=C/c4cccc([N+](=O)[O-])c4)nc3C#N)CC2)cc(OC)c1OC ZINC000036629137 554229502 /nfs/dbraw/zinc/22/95/02/554229502.db2.gz COSQQYJUPBFBLR-BQYQJAHWSA-N 0 0 519.514 3.613 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@H](C)CC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000036638686 554230131 /nfs/dbraw/zinc/23/01/31/554230131.db2.gz BXKCHBHCHGGCDR-IOXZBXJUSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)[C@H](C)CC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000036638688 554230195 /nfs/dbraw/zinc/23/01/95/554230195.db2.gz BXKCHBHCHGGCDR-KLWPSEGUSA-N 0 0 519.483 3.894 40 30 KHEBRN COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@@H]2[C@](C)(C(=O)OC)C=CC(=O)[C@]12C ZINC000038143866 554265937 /nfs/dbraw/zinc/26/59/37/554265937.db2.gz NHOIBRJOQAYBJT-ZXGOAPHISA-N 0 0 540.609 3.922 40 30 biogenic,in-vitro KHEBRN CCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C ZINC000038336700 554274753 /nfs/dbraw/zinc/27/47/53/554274753.db2.gz DUDHWBQNKRZOEW-JLWJLQCMSA-N 0 0 507.023 3.697 40 30 in-vitro KHEBRN CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000039286375 554278747 /nfs/dbraw/zinc/27/87/47/554278747.db2.gz CIWBQSYVNNPZIQ-FCMKFZPZSA-N 0 0 504.595 3.818 40 30 KHEBRN CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000039286376 554278760 /nfs/dbraw/zinc/27/87/60/554278760.db2.gz CIWBQSYVNNPZIQ-SYVNMNFWSA-N 0 0 504.595 3.818 40 30 KHEBRN Cc1ccc(S(=O)(=O)N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C[C@@H]2CCCO2)cc1 ZINC000040143016 1066882050 /nfs/dbraw/zinc/88/20/50/1066882050.db2.gz MBGZHLWEQCWJMC-VXKWHMMOSA-N 0 0 506.624 3.975 40 30 KHEBRN Cc1ccc(S(=O)(=O)N(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)C[C@H]2CCCO2)cc1 ZINC000040143019 1066882362 /nfs/dbraw/zinc/88/23/62/1066882362.db2.gz MBGZHLWEQCWJMC-FCHUYYIVSA-N 0 0 506.624 3.975 40 30 KHEBRN O=C1C=CC(=O)C(SCCCSC2=CC(=O)C(SCCCSC3=CC(=O)C=CC3=O)=CC2=O)=C1 ZINC000043628348 554298778 /nfs/dbraw/zinc/29/87/78/554298778.db2.gz XACXNWIMMWRGRQ-UHFFFAOYSA-N 0 0 532.686 3.803 40 30 KHEBRN CC1=C[C@@H]2[C@](O)(CC(CO)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H](C)[C@]23O)C1=O ZINC000044306948 554301853 /nfs/dbraw/zinc/30/18/53/554301853.db2.gz FQHYQCXMFZHLAE-PNEATKGUSA-N 0 0 572.654 3.660 40 30 KHEBRN C=CCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000044849420 554305011 /nfs/dbraw/zinc/30/50/11/554305011.db2.gz PMKVJNPHNSOGNB-UHFFFAOYSA-N 0 0 520.449 3.545 40 30 KHEBRN C=CCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000044849423 554304888 /nfs/dbraw/zinc/30/48/88/554304888.db2.gz AGXDHHOKLHICFL-UHFFFAOYSA-N 0 0 520.449 3.545 40 30 KHEBRN COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(C)=O)[C@@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000052429255 554329808 /nfs/dbraw/zinc/32/98/08/554329808.db2.gz WKPWGQKGSOKKOO-JRCOSTCESA-N 0 0 692.206 3.534 40 30 KHEBRN COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(C)=O)[C@@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000052429258 554329738 /nfs/dbraw/zinc/32/97/38/554329738.db2.gz WKPWGQKGSOKKOO-MYVWTOEBSA-N 0 0 692.206 3.534 40 30 KHEBRN C[C@@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F ZINC000053294263 554332349 /nfs/dbraw/zinc/33/23/49/554332349.db2.gz YUUGYIUSCYNSQR-GFCCVEGCSA-N 0 0 543.461 3.935 40 30 in-man KHEBRN COC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1I ZINC000059105880 554380378 /nfs/dbraw/zinc/38/03/78/554380378.db2.gz SAWZARHWDUUFLK-CXUHLZMHSA-N 0 0 512.300 3.874 40 30 KHEBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000059139557 554382970 /nfs/dbraw/zinc/38/29/70/554382970.db2.gz ASBLNWWXRKAUIF-UHFFFAOYSA-N 0 0 500.374 3.507 40 30 KHEBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000059139594 554383462 /nfs/dbraw/zinc/38/34/62/554383462.db2.gz HVNWJSXWCUESFT-UHFFFAOYSA-N 0 0 500.374 3.507 40 30 KHEBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000059139797 554383397 /nfs/dbraw/zinc/38/33/97/554383397.db2.gz VDILGXWANCURLW-UHFFFAOYSA-N 0 0 514.401 3.897 40 30 KHEBRN CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccccc1C#N ZINC000059139831 554383385 /nfs/dbraw/zinc/38/33/85/554383385.db2.gz RUBDHBBHODXKOW-UHFFFAOYSA-N 0 0 514.401 3.897 40 30 KHEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000059176653 554383868 /nfs/dbraw/zinc/38/38/68/554383868.db2.gz VFGPEMUQIWUAAW-UHFFFAOYSA-N 0 0 521.643 3.863 40 30 KHEBRN CNC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC)c2ccccc2)ccc1OC ZINC000059365319 554393297 /nfs/dbraw/zinc/39/32/97/554393297.db2.gz OQUMRBRDOVMCKD-AJQTZOPKSA-N 0 0 712.852 3.907 40 30 KHEBRN CNC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)NC)c2ccccc2)ccc1OC ZINC000059365321 554393260 /nfs/dbraw/zinc/39/32/60/554393260.db2.gz OQUMRBRDOVMCKD-ROJLCIKYSA-N 0 0 712.852 3.907 40 30 KHEBRN CNC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)NC)c2ccccc2)ccc1OC ZINC000059365323 554393176 /nfs/dbraw/zinc/39/31/76/554393176.db2.gz OQUMRBRDOVMCKD-ACHIHNKUSA-N 0 0 712.852 3.907 40 30 KHEBRN CNC(=O)c1cc(NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CC(C)C)C(=O)NC)c2ccccc2)ccc1OC ZINC000059365324 554393263 /nfs/dbraw/zinc/39/32/63/554393263.db2.gz OQUMRBRDOVMCKD-ZWXJPIIXSA-N 0 0 712.852 3.907 40 30 KHEBRN Cc1ccc(-c2ccc(C=NN=c3nc(N4CCCC4)[nH]c(N4CCOCC4)n3)o2)c(Br)c1 ZINC000059417892 554393798 /nfs/dbraw/zinc/39/37/98/554393798.db2.gz ZEMWHYHJAMSGLF-MFKUBSTISA-N 0 0 512.412 4.085 40 30 KHEBRN Cc1ccc(-c2ccc(C=NN=c3nc(N4CCCCC4)[nH]c(N4CCOCC4)n3)o2)c(Br)c1 ZINC000059417895 554393816 /nfs/dbraw/zinc/39/38/16/554393816.db2.gz XOGGPWHIQJIXLQ-WGOQTCKBSA-N 0 0 526.439 4.475 40 30 KHEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000059418315 554394038 /nfs/dbraw/zinc/39/40/38/554394038.db2.gz MSDUEJXNESPOLL-RDRPBHBLSA-N 0 0 521.597 3.871 40 30 KHEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1F ZINC000059418316 193897508 /nfs/dbraw/zinc/89/75/08/193897508.db2.gz ODJDCYWSNBZYKA-RDRPBHBLSA-N 0 0 521.597 3.871 40 30 KHEBRN COc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1OCc1ccc(Cl)cc1 ZINC000059418317 554394118 /nfs/dbraw/zinc/39/41/18/554394118.db2.gz BGVSTPLRYGROOG-OGLMXYFKSA-N 0 0 524.025 3.995 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1F ZINC000059418364 554394076 /nfs/dbraw/zinc/39/40/76/554394076.db2.gz DMJHKIALYDRHGB-RDRPBHBLSA-N 0 0 521.597 3.871 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000059418365 554394022 /nfs/dbraw/zinc/39/40/22/554394022.db2.gz HJKSOROHHNNKNK-RDRPBHBLSA-N 0 0 521.597 3.871 40 30 KHEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059488610 554398173 /nfs/dbraw/zinc/39/81/73/554398173.db2.gz JEADFUUEAHYYJZ-CVKSISIWSA-N 0 0 504.503 4.000 40 30 KHEBRN O=C1Nc2ccccc2C1=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2ccccc2)CC1 ZINC000059489830 554398743 /nfs/dbraw/zinc/39/87/43/554398743.db2.gz QNVUJDIDBKDFLS-UHFFFAOYSA-N 0 0 505.556 3.931 40 30 KHEBRN O=[N+]([O-])c1ccc(N=NC2CCCCCC2)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000059490074 554399038 /nfs/dbraw/zinc/39/90/38/554399038.db2.gz JGLLQYPNOFRUKY-UHFFFAOYSA-N 0 0 529.619 3.952 40 30 KHEBRN CCOc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1 ZINC000059514481 554401546 /nfs/dbraw/zinc/40/15/46/554401546.db2.gz FFCOZYWYLPYBPQ-ZTKZIYFRSA-N 0 0 531.617 3.762 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)NC1=S ZINC000059565732 554407386 /nfs/dbraw/zinc/40/73/86/554407386.db2.gz LQNBAUMAZSURNV-GZTJUZNOSA-N 0 0 502.346 3.749 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000059677997 554424083 /nfs/dbraw/zinc/42/40/83/554424083.db2.gz HBFNHSHNBRWOPC-QKSFETHESA-N 0 0 501.608 3.824 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000059677999 554423995 /nfs/dbraw/zinc/42/39/95/554423995.db2.gz HBFNHSHNBRWOPC-ZDQFFALBSA-N 0 0 501.608 3.824 40 30 KHEBRN CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)N=Nc1cc2c(cc1Br)OCCO2 ZINC000059797610 554430620 /nfs/dbraw/zinc/43/06/20/554430620.db2.gz JKVCFVKRHIQEEK-KOEQRZSOSA-N 0 0 516.348 3.628 40 30 KHEBRN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(I)cc1 ZINC000059931521 554481808 /nfs/dbraw/zinc/48/18/08/554481808.db2.gz SPWNURPHCHWODO-UHFFFAOYSA-N 0 0 535.338 3.952 40 30 KHEBRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H]([C@H]2O[C@H]2[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000064857896 554518174 /nfs/dbraw/zinc/51/81/74/554518174.db2.gz BGPCWSPTSAFVAF-FSLVRUQHSA-N 0 0 516.553 3.639 40 30 in-vitro KHEBRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H]([C@@H]2O[C@H]2[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000064857898 554518154 /nfs/dbraw/zinc/51/81/54/554518154.db2.gz BGPCWSPTSAFVAF-MBCUBKMDSA-N 0 0 516.553 3.639 40 30 in-vitro KHEBRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H]([C@H]2O[C@@H]2[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000064857900 554518275 /nfs/dbraw/zinc/51/82/75/554518275.db2.gz BGPCWSPTSAFVAF-IKUHNQMRSA-N 0 0 516.553 3.639 40 30 in-vitro KHEBRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H]([C@@H]2O[C@@H]2[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000064857902 554518190 /nfs/dbraw/zinc/51/81/90/554518190.db2.gz BGPCWSPTSAFVAF-OYHLVKFCSA-N 0 0 516.553 3.639 40 30 in-vitro KHEBRN CC1(C)CC(=O)C(=CC[NH2+]CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C(=O)C1 ZINC000066327968 554529814 /nfs/dbraw/zinc/52/98/14/554529814.db2.gz NFCIJFBWDXNMRV-XMMPIXPASA-N 0 0 504.583 3.843 40 30 KHEBRN CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C ZINC000066331832 554529895 /nfs/dbraw/zinc/52/98/95/554529895.db2.gz ILKJAFIWWBXGDU-BFKJCXLTSA-N 0 0 502.579 3.524 40 30 in-vitro KHEBRN CC(=O)OC/C=C(\C)[C@@H](C[C@@H]1C(C)=C(OC(C)=O)C(=O)[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C)OC(C)=O ZINC000067913175 291800564 /nfs/dbraw/zinc/80/05/64/291800564.db2.gz STOYMKJWHHPSDH-JONWHDBISA-N 0 0 520.619 3.879 40 30 biogenic,in-vitro KHEBRN CC(=O)OC/C=C(\C)[C@H](C[C@@H]1C(C)=C(OC(C)=O)C(=O)[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C)OC(C)=O ZINC000067913177 554537831 /nfs/dbraw/zinc/53/78/31/554537831.db2.gz STOYMKJWHHPSDH-JOWGORIDSA-N 0 0 520.619 3.879 40 30 biogenic,in-vitro KHEBRN CC(=O)OC/C=C(\C)[C@@H](C[C@H]1C(C)=C(OC(C)=O)C(=O)[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C)OC(C)=O ZINC000067913180 291800582 /nfs/dbraw/zinc/80/05/82/291800582.db2.gz STOYMKJWHHPSDH-POMGFPKASA-N 0 0 520.619 3.879 40 30 biogenic,in-vitro KHEBRN CC(=O)OC/C=C(\C)[C@H](C[C@H]1C(C)=C(OC(C)=O)C(=O)[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C)OC(C)=O ZINC000067913183 554537811 /nfs/dbraw/zinc/53/78/11/554537811.db2.gz STOYMKJWHHPSDH-VHPZGGLUSA-N 0 0 520.619 3.879 40 30 biogenic,in-vitro KHEBRN CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)C4(C)C)[C@@H]1OC1(C)C ZINC000067913222 554537819 /nfs/dbraw/zinc/53/78/19/554537819.db2.gz IHEJMZHKJYHVFF-NETQQFODSA-N 0 0 662.861 3.535 40 30 biogenic,in-vitro KHEBRN Cc1ccc(S(=O)(=O)OCCOCCOc2ccc(OCCOCCOS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000068562983 554539113 /nfs/dbraw/zinc/53/91/13/554539113.db2.gz IBNNYBXUYYBKHX-UHFFFAOYSA-N 0 0 594.704 3.905 40 30 KHEBRN CC(=O)OC[C@H](C)c1c(O)c2c(c(OC(C)=O)c1OC(C)=O)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)C1=C(OC(C)=O)C2=O ZINC000068601913 553592306 /nfs/dbraw/zinc/59/23/06/553592306.db2.gz PKHTUSZDBVVOLR-IVEGNSNUSA-N 0 0 588.606 3.932 40 30 KHEBRN CC(=O)OC[C@@H](C)c1c(O)c2c(c(OC(C)=O)c1OC(C)=O)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)C1=C(OC(C)=O)C2=O ZINC000068601918 553592338 /nfs/dbraw/zinc/59/23/38/553592338.db2.gz PKHTUSZDBVVOLR-WUKOICJASA-N 0 0 588.606 3.932 40 30 KHEBRN Cc1ccc(S(=O)(=O)OC[C@H]2C[C@@H](S(=O)(=O)c3ccc(C)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000068602699 553592588 /nfs/dbraw/zinc/59/25/88/553592588.db2.gz DPLRVQYYTXSARN-DENIHFKCSA-N 0 0 509.646 3.861 40 30 KHEBRN Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H](S(=O)(=O)c3ccc(C)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000068602704 553592618 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CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000070691678 553608319 /nfs/dbraw/zinc/60/83/19/553608319.db2.gz GXNNYSDWRVKVJY-CESIWENTSA-N 0 0 520.707 3.652 40 30 biogenic KHEBRN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000070691680 553608355 /nfs/dbraw/zinc/60/83/55/553608355.db2.gz GXNNYSDWRVKVJY-PVTIAZFCSA-N 0 0 520.707 3.652 40 30 biogenic KHEBRN CC(C)CC(=O)O[C@@H]1[C@H](O)[C@]23C(=O)C=C[C@]2(COC3(C)C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000072320044 291804453 /nfs/dbraw/zinc/80/44/53/291804453.db2.gz UXWZSYLQGDNSBZ-MYMANPLPSA-N 0 0 554.636 3.691 40 30 biogenic,in-vitro KHEBRN CC(C)CC(=O)O[C@@H]1[C@H](O)[C@]23C(=O)C=C[C@]2(COC3(C)C)[C@@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]12C ZINC000072320045 553647387 /nfs/dbraw/zinc/64/73/87/553647387.db2.gz UXWZSYLQGDNSBZ-VXGOBVJPSA-N 0 0 554.636 3.691 40 30 biogenic,in-vitro KHEBRN CCCCC[C@H](CC(=O)ON1C(=O)CCC1=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1COCc1ccccc1)C(C)C ZINC000072399424 553651163 /nfs/dbraw/zinc/65/11/63/553651163.db2.gz OFSTZZKUEIBQIC-NYULUDCUSA-N 0 0 557.688 3.529 40 30 in-vitro KHEBRN COC(=O)[C@H](Cc1ccccc1)NC(=O)N(CCC#N)CCN(C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)c1ccccc1 ZINC000073352148 553653592 /nfs/dbraw/zinc/65/35/92/553653592.db2.gz QJOYQYIYCHPHIA-VMPREFPWSA-N 0 0 599.688 3.696 40 30 KHEBRN C/C=C(\C)C(=O)O[C@@H]1C(C)=C2[C@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000076945751 553654720 /nfs/dbraw/zinc/65/47/20/553654720.db2.gz IXFPJGBNCFXKPI-GLZVDYQUSA-N 0 0 650.762 3.928 40 30 in-vitro KHEBRN C/C=C(\C)C(=O)O[C@@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O ZINC000076945755 553654706 /nfs/dbraw/zinc/65/47/06/553654706.db2.gz IXFPJGBNCFXKPI-GAHJKPMASA-N 0 0 650.762 3.928 40 30 in-vitro KHEBRN O=C(CCCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)ON1C(=O)CCC1=O ZINC000077292652 553659671 /nfs/dbraw/zinc/65/96/71/553659671.db2.gz HLIXCCAGPHVPIS-UHFFFAOYSA-N 0 0 586.553 3.563 40 30 in-vitro KHEBRN CC(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1 ZINC000082158278 553673794 /nfs/dbraw/zinc/67/37/94/553673794.db2.gz WLACYMKJIFQEMV-UHFFFAOYSA-N 0 0 537.257 3.901 40 30 KHEBRN N#Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1 ZINC000082158279 553673888 /nfs/dbraw/zinc/67/38/88/553673888.db2.gz JAALGXQNNUUENT-UHFFFAOYSA-N 0 0 505.215 3.814 40 30 KHEBRN CCOC(=O)c1c(C)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=S)c(C#N)c1-c1ccc(OC)cc1 ZINC000082178562 553674492 /nfs/dbraw/zinc/67/44/92/553674492.db2.gz VLAKUWKCSQBCLQ-VOXFHEFUSA-N 0 0 658.682 3.506 40 30 KHEBRN CCOC(=O)c1c(C)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=S)c(C#N)c1-c1ccc(OC)cc1 ZINC000082178564 553674829 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3.568 40 30 KHEBRN Cc1cc(CN=Nc2nc(C)cc(C)n2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000096022398 553720951 /nfs/dbraw/zinc/72/09/51/553720951.db2.gz CQFCHQIZKOGBHU-MTDXEUNCSA-N 0 0 537.690 3.568 40 30 KHEBRN CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@@]1(C)O[C@H]14 ZINC000096086358 290682438 /nfs/dbraw/zinc/68/24/38/290682438.db2.gz GCMGJWLOGKSUGX-RBKCHLQLSA-N 0 0 660.845 3.710 40 30 biogenic,in-vitro KHEBRN C/C(=N/NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000096399288 553753314 /nfs/dbraw/zinc/75/33/14/553753314.db2.gz NCSQCXZPSUFHED-VEILYXNESA-N 0 0 506.653 3.989 40 30 KHEBRN CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1OC(C)=O ZINC000097939657 553760198 /nfs/dbraw/zinc/76/01/98/553760198.db2.gz GETZHHMQCZEPCL-PPYUERFYSA-N 0 0 545.654 3.920 40 30 KHEBRN 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C=CCc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCc1ccccc1F ZINC000097964471 553898696 /nfs/dbraw/zinc/89/86/96/553898696.db2.gz XASXODNFBIFHLK-XSBGCYDXSA-N 0 0 528.587 3.763 40 30 KHEBRN C=CCc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCc1ccccc1C ZINC000097964472 553898721 /nfs/dbraw/zinc/89/87/21/553898721.db2.gz RHSLNMPRJLBNFW-ZKZDLDBDSA-N 0 0 524.624 3.932 40 30 KHEBRN COc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc(I)c1OCc1ccccc1 ZINC000097964537 553899270 /nfs/dbraw/zinc/89/92/70/553899270.db2.gz ZOMKXFHPAAQNFV-RDRPBHBLSA-N 0 0 630.487 3.788 40 30 KHEBRN C#CCOc1ccc(OC)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000097966017 553906780 /nfs/dbraw/zinc/90/67/80/553906780.db2.gz ABTOYFPBSWHVMV-RYOBIWAXSA-N 0 0 538.625 3.972 40 30 KHEBRN C#CCOc1ccc(OC)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000097966018 553906786 /nfs/dbraw/zinc/90/67/86/553906786.db2.gz ABTOYFPBSWHVMV-IAOUMNOZSA-N 0 0 538.625 3.972 40 30 KHEBRN 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KHEBRN O=C(C[C@H]1SC(N=Nc2csc(=O)[nH]2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000097981109 553991945 /nfs/dbraw/zinc/99/19/45/553991945.db2.gz QPSTTZZDQYBWST-VAYDFKCMSA-N 0 0 522.406 3.641 40 30 KHEBRN N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000097981733 553996622 /nfs/dbraw/zinc/99/66/22/553996622.db2.gz ZNPGPPZDTRSELD-SYQJIQKSSA-N 0 0 550.600 3.936 40 30 KHEBRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(-c3ccc(F)cc3)c2=O)cc1 ZINC000097981758 553996929 /nfs/dbraw/zinc/99/69/29/553996929.db2.gz WKRAQSYFBQYNGJ-VCBWMQEFSA-N 0 0 646.722 3.791 40 30 KHEBRN CC(C)(C)C(=O)/C(C#N)=c1/s/c(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1Cc1ccco1 ZINC000097981804 553997343 /nfs/dbraw/zinc/99/73/43/553997343.db2.gz OPBVLPCLOLEGGA-SLBLLINDSA-N 0 0 547.618 3.519 40 30 KHEBRN C=CCn1c(=O)c(=Cc2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)sc1=C(C#N)C(=O)Nc1ccccc1F ZINC000097981810 553997292 /nfs/dbraw/zinc/99/72/92/553997292.db2.gz AWMSYPGGZYLECU-JCVXWAHMSA-N 0 0 562.608 3.819 40 30 KHEBRN C=CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc1=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000097981811 553997281 /nfs/dbraw/zinc/99/72/81/553997281.db2.gz CXNIVLDOXTYYRY-VZETYVODSA-N 0 0 558.544 3.839 40 30 KHEBRN COCCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000097981813 553997302 /nfs/dbraw/zinc/99/73/02/553997302.db2.gz IYWHLXAEBPXCSC-OYTLBTPQSA-N 0 0 558.454 3.517 40 30 KHEBRN COCCCn1c(=O)c(=Cc2ccc(Br)cc2)sc1=C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000097981815 553997360 /nfs/dbraw/zinc/99/73/60/553997360.db2.gz PSQOFPTYHUOKRU-HPJUBZKQSA-N 0 0 528.428 3.509 40 30 KHEBRN N#C/C(C(=O)c1ccccc1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000097981816 553997308 /nfs/dbraw/zinc/99/73/08/553997308.db2.gz MCQBXROTARMTSP-VYPOTTHOSA-N 0 0 532.524 3.674 40 30 KHEBRN COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(Cc3ccc4c(c3)OCO4)c2=O)c1 ZINC000097981818 553997298 /nfs/dbraw/zinc/99/72/98/553997298.db2.gz HMLJPVUFYWYMHE-HUWPVIJXSA-N 0 0 658.758 3.661 40 30 KHEBRN COc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3F)n(Cc3ccc4c(c3)OCO4)c2=O)cc(OC)c1OC ZINC000097981819 553997331 /nfs/dbraw/zinc/99/73/31/553997331.db2.gz JYBXDFFREAVNTQ-AGESXDINSA-N 0 0 589.601 3.643 40 30 KHEBRN N#C/C(C(=O)N1CCCC1)=c1\s/c(=C/c2ccccc2OC(F)F)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000097981844 553997596 /nfs/dbraw/zinc/99/75/96/553997596.db2.gz ZDYJNYLAUYYOCF-IIHALPSOSA-N 0 0 535.494 3.645 40 30 KHEBRN N#C/C(C(=O)N1CCCC1)=c1\s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000097981845 553997690 /nfs/dbraw/zinc/99/76/90/553997690.db2.gz KIBITYKCDPGWDX-UQVQNSENSA-N 0 0 535.494 3.645 40 30 KHEBRN COCCn1c(=O)c(=Cc2ccc(-c3ccccc3C(=O)OC)o2)sc1=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000097981847 553997654 /nfs/dbraw/zinc/99/76/54/553997654.db2.gz TYPRQWLSPIKECH-VVZDOHCZSA-N 0 0 543.601 3.703 40 30 KHEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\s/c(=C(/C#N)C(N)=O)n(-c3ccccc3C(F)(F)F)c2=O)cc1OC ZINC000097981854 553997549 /nfs/dbraw/zinc/99/75/49/553997549.db2.gz 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CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097981956 553998623 /nfs/dbraw/zinc/99/86/23/553998623.db2.gz MBHCRJVZGKELEB-UXWDHBSWSA-N 0 0 547.659 3.994 40 30 KHEBRN CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982143 554000341 /nfs/dbraw/zinc/00/03/41/554000341.db2.gz PBNWSTCJAXZWLW-YMVPSHTBSA-N 0 0 548.662 3.607 40 30 KHEBRN CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982144 554000316 /nfs/dbraw/zinc/00/03/16/554000316.db2.gz PBNWSTCJAXZWLW-MCMRFMRISA-N 0 0 548.662 3.607 40 30 KHEBRN CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982153 554000356 /nfs/dbraw/zinc/00/03/56/554000356.db2.gz CZJYEBFMSCUQTL-AQTDBHCXSA-N 0 0 551.090 3.731 40 30 KHEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097982154 554000333 /nfs/dbraw/zinc/00/03/33/554000333.db2.gz CZJYEBFMSCUQTL-LQUAGZSJSA-N 0 0 551.090 3.731 40 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CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccc(Sc2nccn2C)c([N+](=O)[O-])c1 ZINC000100191446 554244789 /nfs/dbraw/zinc/24/47/89/554244789.db2.gz MYWRMPSGZZBBKZ-OEAKJJBVSA-N 0 0 533.592 3.864 40 30 KHEBRN C=CCN1C(=O)[C@@]2(SC1=S)[C@@H](c1cc(OC)c(OC)c(OC)c1)CN(C)[C@@]21c2cc(OCC)ccc2N(C)C1=O ZINC000100230771 554256777 /nfs/dbraw/zinc/25/67/77/554256777.db2.gz LBCRDIKURWARII-FXAGJUNHSA-N 0 0 583.732 3.797 40 30 KHEBRN CCOc1cc(/C=C2\S/C(=N\C(C)=O)NC2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100231583 554257333 /nfs/dbraw/zinc/25/73/33/554257333.db2.gz NADAKTUHCUMREM-YVLHZVERSA-N 0 0 570.399 3.630 40 30 KHEBRN CC(C)CC(=O)OC1=C(OC(=O)CC(C)C)C(=O)C(OC(=O)CC(C)C)=C(OC(=O)CC(C)C)C1=O ZINC000100233945 554257781 /nfs/dbraw/zinc/25/77/81/554257781.db2.gz WHKQXYKMUPBFEY-UHFFFAOYSA-N 0 0 508.564 3.919 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C[C@@](C)(O)[C@H](C(=O)OC(C)C)[C@H](c3ccccc3)[C@@H]2C(=O)OC(C)C)cc1 ZINC000100236669 554258896 /nfs/dbraw/zinc/25/88/96/554258896.db2.gz XCZXVTOPRQWHIW-JOEHSBDDSA-N 0 0 544.670 3.703 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H](c3ccccc3)[C@@H]2C(=O)OC(C)C)cc1 ZINC000100236670 554258871 /nfs/dbraw/zinc/25/88/71/554258871.db2.gz XCZXVTOPRQWHIW-UIGXNSKLSA-N 0 0 544.670 3.703 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@H](c3ccccc3)[C@@H]2C(=O)OC(C)C)cc1 ZINC000100236671 554258901 /nfs/dbraw/zinc/25/89/01/554258901.db2.gz XCZXVTOPRQWHIW-PPIXKQGESA-N 0 0 544.670 3.703 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H](c3ccccc3)[C@@H]2C(=O)OC(C)C)cc1 ZINC000100236672 554258937 /nfs/dbraw/zinc/25/89/37/554258937.db2.gz XCZXVTOPRQWHIW-ZSMDELOCSA-N 0 0 544.670 3.703 40 30 KHEBRN CCOC(=O)[C@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 ZINC000100239212 554259639 /nfs/dbraw/zinc/25/96/39/554259639.db2.gz MIHCMAMFVWXUQI-BZCFIJOYSA-N 0 0 551.061 3.580 40 30 KHEBRN CCOC(=O)[C@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 ZINC000100239216 554260002 /nfs/dbraw/zinc/26/00/02/554260002.db2.gz MIHCMAMFVWXUQI-SCSZCGTBSA-N 0 0 551.061 3.580 40 30 KHEBRN CN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(c3ccccc3)CC2)C1=O ZINC000100260655 554265562 /nfs/dbraw/zinc/26/55/62/554265562.db2.gz HDDBLQUZCYHUGJ-FVDSYPCUSA-N 0 0 519.583 3.956 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000100262788 554265795 /nfs/dbraw/zinc/26/57/95/554265795.db2.gz PGTHUSBBNJWIFP-OCEWKHMESA-N 0 0 534.634 3.770 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000100262791 554265839 /nfs/dbraw/zinc/26/58/39/554265839.db2.gz PGTHUSBBNJWIFP-MKWGYRPRSA-N 0 0 534.634 3.770 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100262796 554266036 /nfs/dbraw/zinc/26/60/36/554266036.db2.gz DJFKYMBXHFTOPW-QTTRZTASSA-N 0 0 564.660 3.779 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100262799 554266028 /nfs/dbraw/zinc/26/60/28/554266028.db2.gz DJFKYMBXHFTOPW-QPJBPQEWSA-N 0 0 564.660 3.779 40 30 KHEBRN Cn1ccnc1Sc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000100269154 554268624 /nfs/dbraw/zinc/26/86/24/554268624.db2.gz CLLITWLWWJPNGU-OEAKJJBVSA-N 0 0 531.576 3.618 40 30 KHEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)C1=O ZINC000100274990 554271633 /nfs/dbraw/zinc/27/16/33/554271633.db2.gz UBUGIGUXIXARHF-OENGVYFNSA-N 0 0 504.583 3.855 40 30 KHEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)C1=O ZINC000100274993 554271654 /nfs/dbraw/zinc/27/16/54/554271654.db2.gz UBUGIGUXIXARHF-ORLXONFSSA-N 0 0 504.583 3.855 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000100303658 554292147 /nfs/dbraw/zinc/29/21/47/554292147.db2.gz CNXRZDXQAOJCEG-PQRKSKNISA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000100303661 554292193 /nfs/dbraw/zinc/29/21/93/554292193.db2.gz CNXRZDXQAOJCEG-NNAGEYCMSA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000100305894 554294134 /nfs/dbraw/zinc/29/41/34/554294134.db2.gz LEYDGIZTYRPUAD-NLTKXKDSSA-N 0 0 550.636 3.956 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000100305897 554294125 /nfs/dbraw/zinc/29/41/25/554294125.db2.gz LEYDGIZTYRPUAD-HMXFMCBNSA-N 0 0 550.636 3.956 40 30 KHEBRN O=C1c2ccccc2C(=O)C(NCCCN2CCN(CCCNC3=C(Cl)C(=O)c4ccccc4C3=O)CC2)=C1Cl ZINC000100353375 554332202 /nfs/dbraw/zinc/33/22/02/554332202.db2.gz FOZVVPODMRVHEP-UHFFFAOYSA-N 0 0 581.500 3.623 40 30 KHEBRN O=[N+]([O-])c1cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)ccc1Sc1ccc(Cl)cc1 ZINC000100368944 554355246 /nfs/dbraw/zinc/35/52/46/554355246.db2.gz ASYQYPFTKIQMIX-QQXSKIMKSA-N 0 0 557.036 3.704 40 30 KHEBRN C#CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OCC ZINC000100371985 193906423 /nfs/dbraw/zinc/90/64/23/193906423.db2.gz FRRYIFUYUUGIHA-UDWIEESQSA-N 0 0 526.387 3.954 40 30 KHEBRN NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000100421775 554385679 /nfs/dbraw/zinc/38/56/79/554385679.db2.gz PAHWJFFPUGQILI-OGLMXYFKSA-N 0 0 537.598 3.506 40 30 KHEBRN C#CCN(Cc1cc2c(cc1Cl)nc(COC(C)=O)n(C)c2=O)c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000100454298 1066883598 /nfs/dbraw/zinc/88/35/98/1066883598.db2.gz XPEUSHABIAJLCS-UHFFFAOYSA-N 0 0 544.011 3.615 40 30 KHEBRN C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)C=CC(=O)C(=O)C(C)C[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@@]21C ZINC000100462475 554397808 /nfs/dbraw/zinc/39/78/08/554397808.db2.gz OUMWCYMRLMEZJH-HSXMBTRQSA-N 0 0 528.649 3.832 40 30 in-vitro KHEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)ccc1N1CCCC1 ZINC000100473141 554399743 /nfs/dbraw/zinc/39/97/43/554399743.db2.gz CVSNDMKAOKPZRI-NHFJDJAPSA-N 0 0 527.647 3.957 40 30 KHEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1)N1CCOCC1 ZINC000100473188 554400135 /nfs/dbraw/zinc/40/01/35/554400135.db2.gz SFGAGVQZFZIKOD-MFKUBSTISA-N 0 0 527.628 3.743 40 30 KHEBRN O=[N+]([O-])c1ccc(N2CCCC2)c(/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000100475815 554400825 /nfs/dbraw/zinc/40/08/25/554400825.db2.gz YWSWNNHJVLTJJK-NHFJDJAPSA-N 0 0 527.647 3.957 40 30 KHEBRN O=[N+]([O-])c1ccc(N2CCCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000100475840 554400931 /nfs/dbraw/zinc/40/09/31/554400931.db2.gz QBYISSSPVMICQD-NHFJDJAPSA-N 0 0 527.647 3.957 40 30 KHEBRN O=[N+]([O-])c1ccc(N2CCCCCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000100475879 554400831 /nfs/dbraw/zinc/40/08/31/554400831.db2.gz DVIVAIQMKHSLQW-SGWCAAJKSA-N 0 0 557.673 3.583 40 30 KHEBRN Cc1ccc(S(=O)(=O)OC[C@H]2OC(c3ccccc3)O[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100480015 554401744 /nfs/dbraw/zinc/40/17/44/554401744.db2.gz AYEPZHONXQNGPO-XMGLRAKGSA-N 0 0 518.609 3.897 40 30 KHEBRN C=CCN1C(=O)/C(=c2/s/c(=C3/C=Cc4ccccc4N3CC)c(=O)n2-c2ccccc2)SC1=S ZINC000100501659 554406008 /nfs/dbraw/zinc/40/60/08/554406008.db2.gz QEKIZAOBAYCHQK-MCDNAADFSA-N 0 0 503.674 3.715 40 30 KHEBRN CCCCCCCn1c(SCCSc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000100533305 554411186 /nfs/dbraw/zinc/41/11/86/554411186.db2.gz QHUOONMAPOMXOD-UHFFFAOYSA-N 0 0 618.830 3.985 40 30 KHEBRN CCCC[C@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@](O)(/C=C/C=CC=CC(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O ZINC000100544432 554413756 /nfs/dbraw/zinc/41/37/56/554413756.db2.gz TWWQHCKLTXDWBD-YZRBWWMNSA-N 0 0 550.652 3.704 40 30 KHEBRN Oc1cc(O)c(CN=Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1Br ZINC000100553254 554415364 /nfs/dbraw/zinc/41/53/64/554415364.db2.gz SXOICINTZYBZMJ-FOKLQQMPSA-N 0 0 520.775 3.725 40 30 KHEBRN CCOC(=O)c1sc(N=NC(C(=O)OCC)C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C ZINC000100844868 554490829 /nfs/dbraw/zinc/49/08/29/554490829.db2.gz XDVCMEPFBYQOHR-KQWNVCNZSA-N 0 0 505.505 3.532 40 30 KHEBRN COC(=O)[C@H](c1oc(-c2ccc(Cl)cc2)cc1[O-])[C@H](C(=O)OC)c1oc(-c2ccc(Cl)cc2)cc1[O-] ZINC000100928985 554525821 /nfs/dbraw/zinc/52/58/21/554525821.db2.gz NRTKKFRHCRWLTR-ZJZGAYNASA-N 0 0 531.344 3.890 40 30 KHEBRN COC(=O)[C@H](c1oc(-c2ccc(Cl)cc2)cc1[O-])[C@H](C(=O)OC)c1oc(-c2ccc(Cl)cc2)cc1[O-] ZINC000100928989 554525849 /nfs/dbraw/zinc/52/58/49/554525849.db2.gz NRTKKFRHCRWLTR-NEWJYFPISA-N 0 0 531.344 3.890 40 30 KHEBRN COc1ccc(C=NN=C(NN=Cc2ccc(OC)c(OC)c2)NN=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000100930572 554526816 /nfs/dbraw/zinc/52/68/16/554526816.db2.gz ASXXBDJDWHSTKS-JGVITBSZSA-N 0 0 548.600 3.676 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000100961701 554542475 /nfs/dbraw/zinc/54/24/75/554542475.db2.gz BPLSSSZNXUINOR-UHFFFAOYSA-N 0 0 524.628 3.752 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972768 554544512 /nfs/dbraw/zinc/54/45/12/554544512.db2.gz CCHGSTBWXRSVEP-OLRQPGBRSA-N 0 0 508.419 3.653 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972770 554544482 /nfs/dbraw/zinc/54/44/82/554544482.db2.gz CCHGSTBWXRSVEP-LRWZUSMTSA-N 0 0 508.419 3.653 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972773 554544490 /nfs/dbraw/zinc/54/44/90/554544490.db2.gz HFZJILWGAWAWHS-JQBIEYAESA-N 0 0 522.446 3.961 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972775 554544471 /nfs/dbraw/zinc/54/44/71/554544471.db2.gz HFZJILWGAWAWHS-QAYQYMSWSA-N 0 0 522.446 3.961 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972779 554544479 /nfs/dbraw/zinc/54/44/79/554544479.db2.gz RYCJJXOVKCUVDA-JQBIEYAESA-N 0 0 522.446 3.961 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972781 554544671 /nfs/dbraw/zinc/54/46/71/554544671.db2.gz RYCJJXOVKCUVDA-QAYQYMSWSA-N 0 0 522.446 3.961 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972794 554544676 /nfs/dbraw/zinc/54/46/76/554544676.db2.gz CNXMIEXPUXPCKV-OVJLLXBISA-N 0 0 526.409 3.792 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972798 554544672 /nfs/dbraw/zinc/54/46/72/554544672.db2.gz CNXMIEXPUXPCKV-OCLJWFPGSA-N 0 0 526.409 3.792 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972799 554544700 /nfs/dbraw/zinc/54/47/00/554544700.db2.gz CIJCTINCMYQCQH-JQBIEYAESA-N 0 0 538.445 3.661 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972802 554544656 /nfs/dbraw/zinc/54/46/56/554544656.db2.gz CIJCTINCMYQCQH-QAYQYMSWSA-N 0 0 538.445 3.661 40 30 KHEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(OC)c2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972805 554544679 /nfs/dbraw/zinc/54/46/79/554544679.db2.gz HVBNBAISHILWFE-JQBIEYAESA-N 0 0 538.445 3.661 40 30 KHEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(OC)c2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972807 554544651 /nfs/dbraw/zinc/54/46/51/554544651.db2.gz HVBNBAISHILWFE-QAYQYMSWSA-N 0 0 538.445 3.661 40 30 KHEBRN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972843 554544674 /nfs/dbraw/zinc/54/46/74/554544674.db2.gz DRXUHCWIEKLILC-OLRQPGBRSA-N 0 0 510.435 3.795 40 30 KHEBRN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972845 554544712 /nfs/dbraw/zinc/54/47/12/554544712.db2.gz DRXUHCWIEKLILC-LRWZUSMTSA-N 0 0 510.435 3.795 40 30 KHEBRN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972847 554544681 /nfs/dbraw/zinc/54/46/81/554544681.db2.gz WXJAHTCSTJCGIG-OLRQPGBRSA-N 0 0 510.435 3.795 40 30 KHEBRN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972849 554544693 /nfs/dbraw/zinc/54/46/93/554544693.db2.gz WXJAHTCSTJCGIG-LRWZUSMTSA-N 0 0 510.435 3.795 40 30 KHEBRN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972856 554544690 /nfs/dbraw/zinc/54/46/90/554544690.db2.gz GNGLCIMACVIRII-CULCSUMMSA-N 0 0 514.398 3.626 40 30 KHEBRN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000100972858 554544662 /nfs/dbraw/zinc/54/46/62/554544662.db2.gz GNGLCIMACVIRII-IHIJCHFRSA-N 0 0 514.398 3.626 40 30 KHEBRN CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2OC)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000100986775 554548728 /nfs/dbraw/zinc/54/87/28/554548728.db2.gz PFHWACNJYUZZOY-AJGXWLHTSA-N 0 0 508.644 3.992 40 30 KHEBRN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C/c2cc(Cl)c(OC)c(OC)c2)c(=O)n1-c1ccccc1 ZINC000100988688 554549391 /nfs/dbraw/zinc/54/93/91/554549391.db2.gz LUWQKDKOECHMIT-UUTUXWRKSA-N 0 0 548.020 3.720 40 30 KHEBRN N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1-c1ccccc1 ZINC000100989246 554549873 /nfs/dbraw/zinc/54/98/73/554549873.db2.gz WKOQCKKNNCMRTL-UZZPBOHHSA-N 0 0 562.607 3.929 40 30 KHEBRN CCOc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2-c2ccccc2)cc1 ZINC000100991366 554550080 /nfs/dbraw/zinc/55/00/80/554550080.db2.gz VSICTGYTVUQWEA-BZUWHPBOSA-N 0 0 541.629 3.847 40 30 KHEBRN COc1cc(/C=c2/s/c(=C(\C#N)C(=O)Nc3cccc(C)c3)n(-c3ccc(C)cc3)c2=O)cc(OC)c1OC ZINC000101025269 554563383 /nfs/dbraw/zinc/56/33/83/554563383.db2.gz ZPZCMWQWUFNNDG-CKTTTZGXSA-N 0 0 541.629 3.683 40 30 KHEBRN O=C(C[C@@H]1SC(N=Nc2csc(=O)[nH]2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000101025367 554563592 /nfs/dbraw/zinc/56/35/92/554563592.db2.gz QPSTTZZDQYBWST-XFJHAZTOSA-N 0 0 522.406 3.641 40 30 KHEBRN O=C(C[C@H]1SC(N=Nc2csc(=O)[nH]2)N(Cc2ccco2)C1=O)Nc1ccc(Br)cc1 ZINC000101025370 554563582 /nfs/dbraw/zinc/56/35/82/554563582.db2.gz QPSTTZZDQYBWST-OWBBVQPASA-N 0 0 522.406 3.641 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1I ZINC000101056301 554569479 /nfs/dbraw/zinc/56/94/79/554569479.db2.gz DVRMOQGJTUVVGF-YBEGLDIGSA-N 0 0 537.176 3.836 40 30 KHEBRN NC(=O)C(=NNc1ccc(Br)cc1)C1=NC(=O)/C(=N/Nc2ccc(Br)cc2)S1 ZINC000101075694 554577259 /nfs/dbraw/zinc/57/72/59/554577259.db2.gz QOHBIRVBUCXCAH-JCXKVVHJSA-N 0 0 524.198 3.562 40 30 KHEBRN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000101087863 554580940 /nfs/dbraw/zinc/58/09/40/554580940.db2.gz XSFYPIKWYILADI-FDAWAROLSA-N 0 0 605.055 3.827 40 30 KHEBRN CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000101135559 554651351 /nfs/dbraw/zinc/65/13/51/554651351.db2.gz MPNMHFPNHIKNOA-PJOBXVJWSA-N 0 0 590.672 3.637 40 30 KHEBRN COc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)o2)cc1OC ZINC000101217430 554684783 /nfs/dbraw/zinc/68/47/83/554684783.db2.gz RPSWRCMUFWUIEU-VQHVLOKHSA-N 0 0 534.569 3.722 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000101300778 554713547 /nfs/dbraw/zinc/71/35/47/554713547.db2.gz VGHCOQFXESTTBR-QHFRQTJGSA-N 0 0 533.647 3.563 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000101300782 554713531 /nfs/dbraw/zinc/71/35/31/554713531.db2.gz VGHCOQFXESTTBR-FYTHJPPQSA-N 0 0 533.647 3.563 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000101300787 554713550 /nfs/dbraw/zinc/71/35/50/554713550.db2.gz VGHCOQFXESTTBR-AVNHHJFPSA-N 0 0 533.647 3.563 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000101300789 554713528 /nfs/dbraw/zinc/71/35/28/554713528.db2.gz VGHCOQFXESTTBR-JREIPVMGSA-N 0 0 533.647 3.563 40 30 KHEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101301300 554713855 /nfs/dbraw/zinc/71/38/55/554713855.db2.gz HDNXNDJWCHVIRE-VFVLKVLPSA-N 0 0 508.065 3.867 40 30 KHEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101301303 554713834 /nfs/dbraw/zinc/71/38/34/554713834.db2.gz HDNXNDJWCHVIRE-ZILRHYJXSA-N 0 0 508.065 3.867 40 30 KHEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101301306 554713857 /nfs/dbraw/zinc/71/38/57/554713857.db2.gz HDNXNDJWCHVIRE-LDSXRLKVSA-N 0 0 508.065 3.867 40 30 KHEBRN CCN(CC)c1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101301311 554713793 /nfs/dbraw/zinc/71/37/93/554713793.db2.gz HDNXNDJWCHVIRE-UIJGKTELSA-N 0 0 508.065 3.867 40 30 KHEBRN Cc1ccc(CN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302122 554713789 /nfs/dbraw/zinc/71/37/89/554713789.db2.gz ASOUJWHSIIYCIC-KHALBCJQSA-N 0 0 543.711 3.728 40 30 KHEBRN Cc1ccc(CN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302127 554713823 /nfs/dbraw/zinc/71/38/23/554713823.db2.gz ASOUJWHSIIYCIC-SSBBOGBISA-N 0 0 543.711 3.728 40 30 KHEBRN Cc1ccc(CN2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302130 554713871 /nfs/dbraw/zinc/71/38/71/554713871.db2.gz ASOUJWHSIIYCIC-FLAZSQQCSA-N 0 0 543.711 3.728 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101305132 554715026 /nfs/dbraw/zinc/71/50/26/554715026.db2.gz OCTVVCPOGLFJMX-MOYGZLJBSA-N 0 0 531.656 3.995 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101305136 554715096 /nfs/dbraw/zinc/71/50/96/554715096.db2.gz OCTVVCPOGLFJMX-TUUYGLIOSA-N 0 0 531.656 3.995 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101305138 554715025 /nfs/dbraw/zinc/71/50/25/554715025.db2.gz OCTVVCPOGLFJMX-UDLCPXAISA-N 0 0 531.656 3.995 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Oc2ccccc2)cc1 ZINC000101305143 554715072 /nfs/dbraw/zinc/71/50/72/554715072.db2.gz OCTVVCPOGLFJMX-DZQKVFKYSA-N 0 0 531.656 3.995 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101305922 554715065 /nfs/dbraw/zinc/71/50/65/554715065.db2.gz XDDUTOXDQMEBNQ-QWUNKSFHSA-N 0 0 529.684 3.732 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101305926 554715048 /nfs/dbraw/zinc/71/50/48/554715048.db2.gz XDDUTOXDQMEBNQ-QKGRYLSMSA-N 0 0 529.684 3.732 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101305931 554715113 /nfs/dbraw/zinc/71/51/13/554715113.db2.gz XDDUTOXDQMEBNQ-XJMOMXMISA-N 0 0 529.684 3.732 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101305934 554715111 /nfs/dbraw/zinc/71/51/11/554715111.db2.gz XDDUTOXDQMEBNQ-NPYFJVEWSA-N 0 0 529.684 3.732 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000101306360 554715028 /nfs/dbraw/zinc/71/50/28/554715028.db2.gz PADKAVBMNMTCPW-IRSBPMFBSA-N 0 0 533.647 3.563 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000101306362 554715098 /nfs/dbraw/zinc/71/50/98/554715098.db2.gz PADKAVBMNMTCPW-VYUAJBKOSA-N 0 0 533.647 3.563 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000101306365 554715103 /nfs/dbraw/zinc/71/51/03/554715103.db2.gz PADKAVBMNMTCPW-LDSPSNANSA-N 0 0 533.647 3.563 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000101306368 554715067 /nfs/dbraw/zinc/71/50/67/554715067.db2.gz PADKAVBMNMTCPW-ISBWALCUSA-N 0 0 533.647 3.563 40 30 KHEBRN COc1ccc(Cl)cc1N1/C(=N\C(=O)COc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101307323 554715326 /nfs/dbraw/zinc/71/53/26/554715326.db2.gz ZFFNZZWILUWCTP-VLWKVARASA-N 0 0 501.413 3.682 40 30 KHEBRN COc1ccc(Cl)cc1N1/C(=N\C(=O)COc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101307328 554715285 /nfs/dbraw/zinc/71/52/85/554715285.db2.gz ZFFNZZWILUWCTP-UECIEQQWSA-N 0 0 501.413 3.682 40 30 KHEBRN COc1ccc(Cl)cc1N1/C(=N\C(=O)COc2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101307332 554715301 /nfs/dbraw/zinc/71/53/01/554715301.db2.gz ZFFNZZWILUWCTP-ZAKLOSRSSA-N 0 0 501.413 3.682 40 30 KHEBRN COc1ccc(Cl)cc1N1/C(=N\C(=O)COc2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101307335 554715337 /nfs/dbraw/zinc/71/53/37/554715337.db2.gz ZFFNZZWILUWCTP-RLKXQLGISA-N 0 0 501.413 3.682 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 ZINC000101307728 554715311 /nfs/dbraw/zinc/71/53/11/554715311.db2.gz JIAYIOSGAXCEJW-FBILQTODSA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 ZINC000101307731 554715305 /nfs/dbraw/zinc/71/53/05/554715305.db2.gz JIAYIOSGAXCEJW-XWGOGYMWSA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Br)c1 ZINC000101307737 554715324 /nfs/dbraw/zinc/71/53/24/554715324.db2.gz JIAYIOSGAXCEJW-ZWTLYLSISA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Br)c1 ZINC000101307742 554715284 /nfs/dbraw/zinc/71/52/84/554715284.db2.gz JIAYIOSGAXCEJW-JFOZHCFESA-N 0 0 515.838 3.783 40 30 KHEBRN CCOc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101309294 554716523 /nfs/dbraw/zinc/71/65/23/554716523.db2.gz DNRURSDGPYRIOG-KHALBCJQSA-N 0 0 559.710 3.823 40 30 KHEBRN CCOc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101309295 554716505 /nfs/dbraw/zinc/71/65/05/554716505.db2.gz DNRURSDGPYRIOG-SSBBOGBISA-N 0 0 559.710 3.823 40 30 KHEBRN CCOc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101309296 554716548 /nfs/dbraw/zinc/71/65/48/554716548.db2.gz DNRURSDGPYRIOG-FLAZSQQCSA-N 0 0 559.710 3.823 40 30 KHEBRN CCOc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101309297 554716606 /nfs/dbraw/zinc/71/66/06/554716606.db2.gz DNRURSDGPYRIOG-KLAQZQFJSA-N 0 0 559.710 3.823 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F ZINC000101309604 554716736 /nfs/dbraw/zinc/71/67/36/554716736.db2.gz SMEGQQIPGZRGHD-JYCKYRCOSA-N 0 0 551.637 3.702 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F ZINC000101309606 554716785 /nfs/dbraw/zinc/71/67/85/554716785.db2.gz SMEGQQIPGZRGHD-OGABMLMYSA-N 0 0 551.637 3.702 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F ZINC000101309609 554716781 /nfs/dbraw/zinc/71/67/81/554716781.db2.gz SMEGQQIPGZRGHD-PITQIPGUSA-N 0 0 551.637 3.702 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F ZINC000101309611 554716796 /nfs/dbraw/zinc/71/67/96/554716796.db2.gz SMEGQQIPGZRGHD-UXXJNNTFSA-N 0 0 551.637 3.702 40 30 KHEBRN COc1cc(OC)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310125 554717014 /nfs/dbraw/zinc/71/70/14/554717014.db2.gz KGTCSTISEVNVPW-BFNGYNHWSA-N 0 0 531.439 3.691 40 30 KHEBRN COc1cc(OC)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310127 554717123 /nfs/dbraw/zinc/71/71/23/554717123.db2.gz KGTCSTISEVNVPW-FQCZDGKXSA-N 0 0 531.439 3.691 40 30 KHEBRN COc1cc(OC)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310128 554717097 /nfs/dbraw/zinc/71/70/97/554717097.db2.gz KGTCSTISEVNVPW-XIRWQIPHSA-N 0 0 531.439 3.691 40 30 KHEBRN COc1cc(OC)c(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310130 554717048 /nfs/dbraw/zinc/71/70/48/554717048.db2.gz KGTCSTISEVNVPW-WGICHRRSSA-N 0 0 531.439 3.691 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310148 554717006 /nfs/dbraw/zinc/71/70/06/554717006.db2.gz QIUXTPHOFBGPGM-BFNGYNHWSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310149 554717008 /nfs/dbraw/zinc/71/70/08/554717008.db2.gz QIUXTPHOFBGPGM-FQCZDGKXSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310150 554717103 /nfs/dbraw/zinc/71/71/03/554717103.db2.gz QIUXTPHOFBGPGM-XIRWQIPHSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310153 554717029 /nfs/dbraw/zinc/71/70/29/554717029.db2.gz QIUXTPHOFBGPGM-WGICHRRSSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310154 554717120 /nfs/dbraw/zinc/71/71/20/554717120.db2.gz NHXLFOCDTDQYOH-BFNGYNHWSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310155 554717112 /nfs/dbraw/zinc/71/71/12/554717112.db2.gz NHXLFOCDTDQYOH-FQCZDGKXSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310157 554717063 /nfs/dbraw/zinc/71/70/63/554717063.db2.gz NHXLFOCDTDQYOH-XIRWQIPHSA-N 0 0 515.440 3.855 40 30 KHEBRN COc1cc(OC)c(N2C(=NC(=O)Cc3ccccc3Cl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310159 554717017 /nfs/dbraw/zinc/71/70/17/554717017.db2.gz NHXLFOCDTDQYOH-WGICHRRSSA-N 0 0 515.440 3.855 40 30 KHEBRN CCCCOc1cccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101310568 554718096 /nfs/dbraw/zinc/71/80/96/554718096.db2.gz VZDZLOJQAIZGGR-JWASRMDHSA-N 0 0 518.657 3.727 40 30 KHEBRN CCCCOc1cccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101310569 554718136 /nfs/dbraw/zinc/71/81/36/554718136.db2.gz VZDZLOJQAIZGGR-IIQCZNOZSA-N 0 0 518.657 3.727 40 30 KHEBRN CCCCOc1cccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101310570 554718154 /nfs/dbraw/zinc/71/81/54/554718154.db2.gz VZDZLOJQAIZGGR-PFFFQMPCSA-N 0 0 518.657 3.727 40 30 KHEBRN CCCCOc1cccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101310571 554718146 /nfs/dbraw/zinc/71/81/46/554718146.db2.gz VZDZLOJQAIZGGR-KOZIYSKTSA-N 0 0 518.657 3.727 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311118 554718792 /nfs/dbraw/zinc/71/87/92/554718792.db2.gz ZHQFPVZHHZHJTI-UVIWCIPMSA-N 0 0 542.001 3.875 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311120 554718812 /nfs/dbraw/zinc/71/88/12/554718812.db2.gz ZHQFPVZHHZHJTI-HZOQXCJJSA-N 0 0 542.001 3.875 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311122 554718839 /nfs/dbraw/zinc/71/88/39/554718839.db2.gz ZHQFPVZHHZHJTI-OQTOFKCSSA-N 0 0 542.001 3.875 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl ZINC000101311123 554718808 /nfs/dbraw/zinc/71/88/08/554718808.db2.gz ZHQFPVZHHZHJTI-SAQHTDILSA-N 0 0 542.001 3.875 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311154 554718823 /nfs/dbraw/zinc/71/88/23/554718823.db2.gz GWERAAHUPGADSI-SPQNEXIPSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311156 554719000 /nfs/dbraw/zinc/71/90/00/554719000.db2.gz GWERAAHUPGADSI-PNCMATSFSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311157 554719032 /nfs/dbraw/zinc/71/90/32/554719032.db2.gz GWERAAHUPGADSI-PSIGYRGJSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311158 554718970 /nfs/dbraw/zinc/71/89/70/554718970.db2.gz GWERAAHUPGADSI-GQJGBFTJSA-N 0 0 519.483 3.894 40 30 KHEBRN CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OCC)c(OCC)cc1Br ZINC000101311161 554719043 /nfs/dbraw/zinc/71/90/43/554719043.db2.gz YIAWTSDBNFAALZ-IKXRYLQMSA-N 0 0 505.456 3.648 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311185 554719008 /nfs/dbraw/zinc/71/90/08/554719008.db2.gz APOBXOMRQAZCLG-SJMAMNNKSA-N 0 0 569.499 3.927 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311186 554719041 /nfs/dbraw/zinc/71/90/41/554719041.db2.gz APOBXOMRQAZCLG-HGMSKCIOSA-N 0 0 569.499 3.927 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311187 554718935 /nfs/dbraw/zinc/71/89/35/554718935.db2.gz APOBXOMRQAZCLG-MAKRWFMKSA-N 0 0 569.499 3.927 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)COc3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311188 554719037 /nfs/dbraw/zinc/71/90/37/554719037.db2.gz APOBXOMRQAZCLG-KJUJXBPXSA-N 0 0 569.499 3.927 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311253 554719385 /nfs/dbraw/zinc/71/93/85/554719385.db2.gz IMNKVAJCHXAGOF-GREVDYEHSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311255 554719435 /nfs/dbraw/zinc/71/94/35/554719435.db2.gz IMNKVAJCHXAGOF-CZHUJUOQSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311257 554719399 /nfs/dbraw/zinc/71/93/99/554719399.db2.gz IMNKVAJCHXAGOF-XJGHBGDUSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311258 554719454 /nfs/dbraw/zinc/71/94/54/554719454.db2.gz IMNKVAJCHXAGOF-JPONUYRWSA-N 0 0 519.483 3.894 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311292 554719481 /nfs/dbraw/zinc/71/94/81/554719481.db2.gz BAROSIBPAASLTQ-UHQTYDMFSA-N 0 0 505.456 3.504 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311294 554719422 /nfs/dbraw/zinc/71/94/22/554719422.db2.gz BAROSIBPAASLTQ-KBPHNNNPSA-N 0 0 505.456 3.504 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311296 554719418 /nfs/dbraw/zinc/71/94/18/554719418.db2.gz BAROSIBPAASLTQ-JQBIRHBESA-N 0 0 505.456 3.504 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311298 554719402 /nfs/dbraw/zinc/71/94/02/554719402.db2.gz BAROSIBPAASLTQ-IKXRYLQMSA-N 0 0 505.456 3.504 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311348 554719628 /nfs/dbraw/zinc/71/96/28/554719628.db2.gz WCVGAYZNFBOXNS-CFOWBDCSSA-N 0 0 606.561 3.763 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311353 554719616 /nfs/dbraw/zinc/71/96/16/554719616.db2.gz WCVGAYZNFBOXNS-ZAAFALQESA-N 0 0 606.561 3.763 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC ZINC000101311357 554719615 /nfs/dbraw/zinc/71/96/15/554719615.db2.gz WCVGAYZNFBOXNS-WMCBDBMJSA-N 0 0 606.561 3.763 40 30 KHEBRN CCOc1cc(Br)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC ZINC000101311360 554719619 /nfs/dbraw/zinc/71/96/19/554719619.db2.gz WCVGAYZNFBOXNS-FOFBWMLKSA-N 0 0 606.561 3.763 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000101311588 554719860 /nfs/dbraw/zinc/71/98/60/554719860.db2.gz YVQRLSIXEVBZET-JLBSRVSVSA-N 0 0 533.828 3.922 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000101311592 554719850 /nfs/dbraw/zinc/71/98/50/554719850.db2.gz YVQRLSIXEVBZET-XWFMMPOZSA-N 0 0 533.828 3.922 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000101311594 554719900 /nfs/dbraw/zinc/71/99/00/554719900.db2.gz YVQRLSIXEVBZET-ZKACAFABSA-N 0 0 533.828 3.922 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000101311595 554719840 /nfs/dbraw/zinc/71/98/40/554719840.db2.gz YVQRLSIXEVBZET-LHUFXSHWSA-N 0 0 533.828 3.922 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311845 554720450 /nfs/dbraw/zinc/72/04/50/554720450.db2.gz WGGKIXHGRCDDQR-HNLRENJZSA-N 0 0 561.526 3.850 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311846 554720434 /nfs/dbraw/zinc/72/04/34/554720434.db2.gz WGGKIXHGRCDDQR-VHOSEGAWSA-N 0 0 561.526 3.850 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311849 554720419 /nfs/dbraw/zinc/72/04/19/554720419.db2.gz WGGKIXHGRCDDQR-HCOVJHAHSA-N 0 0 561.526 3.850 40 30 KHEBRN CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101311850 554720417 /nfs/dbraw/zinc/72/04/17/554720417.db2.gz WGGKIXHGRCDDQR-QQYSPOEGSA-N 0 0 561.526 3.850 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@]12c1cc(Br)ccc1NC2=O ZINC000101312194 554720611 /nfs/dbraw/zinc/72/06/11/554720611.db2.gz HXKFIAPBBQTMPK-CANCMXDXSA-N 0 0 527.346 3.943 40 30 KHEBRN Cc1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101312195 554720640 /nfs/dbraw/zinc/72/06/40/554720640.db2.gz UTWDKLILACADJJ-ZBNOBOGQSA-N 0 0 529.684 3.732 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@]12c1cc(Br)ccc1NC2=O ZINC000101312197 554720687 /nfs/dbraw/zinc/72/06/87/554720687.db2.gz HXKFIAPBBQTMPK-ZJWNCGCPSA-N 0 0 527.346 3.943 40 30 KHEBRN Cc1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101312198 554720662 /nfs/dbraw/zinc/72/06/62/554720662.db2.gz UTWDKLILACADJJ-PMHHAEPASA-N 0 0 529.684 3.732 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@]12c1cc(Br)ccc1NC2=O ZINC000101312199 554720642 /nfs/dbraw/zinc/72/06/42/554720642.db2.gz HXKFIAPBBQTMPK-SHZVTRLKSA-N 0 0 527.346 3.943 40 30 KHEBRN Cc1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101312200 554720660 /nfs/dbraw/zinc/72/06/60/554720660.db2.gz UTWDKLILACADJJ-YIMXATGNSA-N 0 0 529.684 3.732 40 30 KHEBRN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@]12c1cc(Br)ccc1NC2=O ZINC000101312202 554720624 /nfs/dbraw/zinc/72/06/24/554720624.db2.gz HXKFIAPBBQTMPK-YMXBGEKHSA-N 0 0 527.346 3.943 40 30 KHEBRN Cc1ccccc1N1/C(=N\C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101312203 554720645 /nfs/dbraw/zinc/72/06/45/554720645.db2.gz UTWDKLILACADJJ-QCRSNSMJSA-N 0 0 529.684 3.732 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000101312238 554720648 /nfs/dbraw/zinc/72/06/48/554720648.db2.gz PSUMEJPDMUODHC-FBILQTODSA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 ZINC000101312240 554720614 /nfs/dbraw/zinc/72/06/14/554720614.db2.gz PSUMEJPDMUODHC-XWGOGYMWSA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 ZINC000101312243 554720629 /nfs/dbraw/zinc/72/06/29/554720629.db2.gz PSUMEJPDMUODHC-ZWTLYLSISA-N 0 0 515.838 3.783 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 ZINC000101312245 554720600 /nfs/dbraw/zinc/72/06/00/554720600.db2.gz PSUMEJPDMUODHC-JFOZHCFESA-N 0 0 515.838 3.783 40 30 KHEBRN Cc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101312567 554720621 /nfs/dbraw/zinc/72/06/21/554720621.db2.gz TZIZYSLSQZSYOV-QWUNKSFHSA-N 0 0 529.684 3.732 40 30 KHEBRN Cc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101312569 554720908 /nfs/dbraw/zinc/72/09/08/554720908.db2.gz TZIZYSLSQZSYOV-QKGRYLSMSA-N 0 0 529.684 3.732 40 30 KHEBRN Cc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101312572 554720910 /nfs/dbraw/zinc/72/09/10/554720910.db2.gz TZIZYSLSQZSYOV-XJMOMXMISA-N 0 0 529.684 3.732 40 30 KHEBRN Cc1cccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101312577 554720895 /nfs/dbraw/zinc/72/08/95/554720895.db2.gz TZIZYSLSQZSYOV-NPYFJVEWSA-N 0 0 529.684 3.732 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2c(C)cc(Br)cc2C)cc1 ZINC000101313107 554721436 /nfs/dbraw/zinc/72/14/36/554721436.db2.gz HTDAFVDBDMWFBV-INGUHVLVSA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2c(C)cc(Br)cc2C)cc1 ZINC000101313108 554721438 /nfs/dbraw/zinc/72/14/38/554721438.db2.gz HTDAFVDBDMWFBV-MCNQUGEWSA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2c(C)cc(Br)cc2C)cc1 ZINC000101313109 554721359 /nfs/dbraw/zinc/72/13/59/554721359.db2.gz HTDAFVDBDMWFBV-MQJFURQDSA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2c(C)cc(Br)cc2C)cc1 ZINC000101313111 554721435 /nfs/dbraw/zinc/72/14/35/554721435.db2.gz HTDAFVDBDMWFBV-QBZXNNKQSA-N 0 0 523.474 3.919 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101313134 554721418 /nfs/dbraw/zinc/72/14/18/554721418.db2.gz FMULDZTWOMWFFR-SKKDUOPHSA-N 0 0 509.447 3.746 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313136 554721429 /nfs/dbraw/zinc/72/14/29/554721429.db2.gz FMULDZTWOMWFFR-VDIKGSQVSA-N 0 0 509.447 3.746 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101313137 554721409 /nfs/dbraw/zinc/72/14/09/554721409.db2.gz FMULDZTWOMWFFR-LEZRNDCRSA-N 0 0 509.447 3.746 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313139 554721378 /nfs/dbraw/zinc/72/13/78/554721378.db2.gz FMULDZTWOMWFFR-GGKZWNHUSA-N 0 0 509.447 3.746 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(Br)cc1C ZINC000101313247 554721613 /nfs/dbraw/zinc/72/16/13/554721613.db2.gz BQFFGGPNWYIHAC-QVTOUVPASA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(Br)cc1C ZINC000101313248 554721683 /nfs/dbraw/zinc/72/16/83/554721683.db2.gz BQFFGGPNWYIHAC-OTEBAESWSA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(Br)cc1C ZINC000101313251 554721695 /nfs/dbraw/zinc/72/16/95/554721695.db2.gz BQFFGGPNWYIHAC-XZBHJBHXSA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(Br)cc1C ZINC000101313254 554721669 /nfs/dbraw/zinc/72/16/69/554721669.db2.gz BQFFGGPNWYIHAC-OBQPKHBVSA-N 0 0 523.474 3.919 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2c(C)cc(Br)cc2C)cc1OC ZINC000101313257 554721704 /nfs/dbraw/zinc/72/17/04/554721704.db2.gz DIIZREWDGNRBOY-HTIDCGSISA-N 0 0 553.500 3.927 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2c(C)cc(Br)cc2C)cc1OC ZINC000101313262 554721706 /nfs/dbraw/zinc/72/17/06/554721706.db2.gz DIIZREWDGNRBOY-OJXBDIKWSA-N 0 0 553.500 3.927 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2c(C)cc(Br)cc2C)cc1OC ZINC000101313266 554721635 /nfs/dbraw/zinc/72/16/35/554721635.db2.gz DIIZREWDGNRBOY-LNGURRPPSA-N 0 0 553.500 3.927 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2c(C)cc(Br)cc2C)cc1OC ZINC000101313271 554721799 /nfs/dbraw/zinc/72/17/99/554721799.db2.gz DIIZREWDGNRBOY-WLRXKSARSA-N 0 0 553.500 3.927 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101313296 554721803 /nfs/dbraw/zinc/72/18/03/554721803.db2.gz SMOQIYKLZQGYDU-ZFFANLAPSA-N 0 0 546.509 3.582 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313300 554721857 /nfs/dbraw/zinc/72/18/57/554721857.db2.gz SMOQIYKLZQGYDU-IWAOJGAVSA-N 0 0 546.509 3.582 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101313303 554721902 /nfs/dbraw/zinc/72/19/02/554721902.db2.gz SMOQIYKLZQGYDU-AHKFUKCMSA-N 0 0 546.509 3.582 40 30 KHEBRN Cc1cc(Br)cc(C)c1N1/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101313306 554721846 /nfs/dbraw/zinc/72/18/46/554721846.db2.gz SMOQIYKLZQGYDU-DBPDSBIXSA-N 0 0 546.509 3.582 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 ZINC000101314361 554722689 /nfs/dbraw/zinc/72/26/89/554722689.db2.gz RGZVFRPPVYEDRK-SKVRXYAYSA-N 0 0 547.674 3.559 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 ZINC000101314362 554722692 /nfs/dbraw/zinc/72/26/92/554722692.db2.gz RGZVFRPPVYEDRK-XYWJIMBVSA-N 0 0 547.674 3.559 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000101314363 554722698 /nfs/dbraw/zinc/72/26/98/554722698.db2.gz RGZVFRPPVYEDRK-KLCSEFQFSA-N 0 0 547.674 3.559 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000101314364 554722664 /nfs/dbraw/zinc/72/26/64/554722664.db2.gz RGZVFRPPVYEDRK-QSFANIELSA-N 0 0 547.674 3.559 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1F ZINC000101314842 554722977 /nfs/dbraw/zinc/72/29/77/554722977.db2.gz ARNZWYMUBUDRSP-XYWJIMBVSA-N 0 0 547.674 3.872 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F ZINC000101314843 554722965 /nfs/dbraw/zinc/72/29/65/554722965.db2.gz ARNZWYMUBUDRSP-QSFANIELSA-N 0 0 547.674 3.872 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F ZINC000101314844 554723005 /nfs/dbraw/zinc/72/30/05/554723005.db2.gz ARNZWYMUBUDRSP-LEKFARAHSA-N 0 0 547.674 3.872 40 30 KHEBRN Cc1ccc(N2/C(=N\C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F ZINC000101314845 554723007 /nfs/dbraw/zinc/72/30/07/554723007.db2.gz ARNZWYMUBUDRSP-FYKLLUIBSA-N 0 0 547.674 3.872 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 ZINC000101315585 554722939 /nfs/dbraw/zinc/72/29/39/554722939.db2.gz SXUDOFQEJDRYGM-FXGKLCDZSA-N 0 0 561.701 3.601 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 ZINC000101315588 554722971 /nfs/dbraw/zinc/72/29/71/554722971.db2.gz SXUDOFQEJDRYGM-UYXJIRMZSA-N 0 0 561.701 3.601 40 30 KHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 ZINC000101315590 554722974 /nfs/dbraw/zinc/72/29/74/554722974.db2.gz SXUDOFQEJDRYGM-NFNMCYKMSA-N 0 0 561.701 3.601 40 30 KHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 ZINC000101315592 554722921 /nfs/dbraw/zinc/72/29/21/554722921.db2.gz SXUDOFQEJDRYGM-LAXHSXAHSA-N 0 0 561.701 3.601 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000101315654 554722925 /nfs/dbraw/zinc/72/29/25/554722925.db2.gz OYURGRYVAWMKQJ-LKPYKVMKSA-N 0 0 520.938 3.919 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000101315657 554722934 /nfs/dbraw/zinc/72/29/34/554722934.db2.gz OYURGRYVAWMKQJ-CFCAOHIFSA-N 0 0 520.938 3.919 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000101315660 554722996 /nfs/dbraw/zinc/72/29/96/554722996.db2.gz OYURGRYVAWMKQJ-MALQWJOCSA-N 0 0 520.938 3.919 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 ZINC000101315663 554723107 /nfs/dbraw/zinc/72/31/07/554723107.db2.gz OYURGRYVAWMKQJ-TUBZRUKKSA-N 0 0 520.938 3.919 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2Cl)cc1 ZINC000101315986 554723153 /nfs/dbraw/zinc/72/31/53/554723153.db2.gz ZEGHBFNMVHEKTO-OLRZEJHZSA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2Cl)cc1 ZINC000101315989 554723155 /nfs/dbraw/zinc/72/31/55/554723155.db2.gz ZEGHBFNMVHEKTO-PKBLUPHSSA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2Cl)cc1 ZINC000101315992 554723149 /nfs/dbraw/zinc/72/31/49/554723149.db2.gz ZEGHBFNMVHEKTO-DZNXQGIDSA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2Cl)cc1 ZINC000101315996 554723090 /nfs/dbraw/zinc/72/30/90/554723090.db2.gz ZEGHBFNMVHEKTO-QVYPKILJSA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316155 554723324 /nfs/dbraw/zinc/72/33/24/554723324.db2.gz YSSDBXXTCDDXFF-VLWKVARASA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316156 554723314 /nfs/dbraw/zinc/72/33/14/554723314.db2.gz YSSDBXXTCDDXFF-UECIEQQWSA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316159 554723347 /nfs/dbraw/zinc/72/33/47/554723347.db2.gz YSSDBXXTCDDXFF-ZAKLOSRSSA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccccc1CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316161 554723361 /nfs/dbraw/zinc/72/33/61/554723361.db2.gz YSSDBXXTCDDXFF-RLKXQLGISA-N 0 0 529.865 3.955 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2Cl)cc1OC ZINC000101316163 554723367 /nfs/dbraw/zinc/72/33/67/554723367.db2.gz FQMYCGLDDSLEAU-BFNGYNHWSA-N 0 0 559.891 3.964 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2Cl)cc1OC ZINC000101316165 554723312 /nfs/dbraw/zinc/72/33/12/554723312.db2.gz FQMYCGLDDSLEAU-FQCZDGKXSA-N 0 0 559.891 3.964 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2Cl)cc1OC ZINC000101316168 554723317 /nfs/dbraw/zinc/72/33/17/554723317.db2.gz FQMYCGLDDSLEAU-XIRWQIPHSA-N 0 0 559.891 3.964 40 30 KHEBRN COc1ccc(CC(=O)N=C2S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2Cl)cc1OC ZINC000101316171 554723369 /nfs/dbraw/zinc/72/33/69/554723369.db2.gz FQMYCGLDDSLEAU-WGICHRRSSA-N 0 0 559.891 3.964 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316192 554723358 /nfs/dbraw/zinc/72/33/58/554723358.db2.gz SKYSGNFERZMRNJ-KJSDEICGSA-N 0 0 552.900 3.619 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316194 554723342 /nfs/dbraw/zinc/72/33/42/554723342.db2.gz SKYSGNFERZMRNJ-HKKHXYRBSA-N 0 0 552.900 3.619 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1Cl ZINC000101316197 554723378 /nfs/dbraw/zinc/72/33/78/554723378.db2.gz SKYSGNFERZMRNJ-YBZSAHNDSA-N 0 0 552.900 3.619 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl ZINC000101316201 554723320 /nfs/dbraw/zinc/72/33/20/554723320.db2.gz SKYSGNFERZMRNJ-DNRSRTTPSA-N 0 0 552.900 3.619 40 30 KHEBRN COc1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101316283 554723646 /nfs/dbraw/zinc/72/36/46/554723646.db2.gz PDLGLNDVOZOHRG-VLWKVARASA-N 0 0 501.413 3.682 40 30 KHEBRN COc1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101316286 554723673 /nfs/dbraw/zinc/72/36/73/554723673.db2.gz PDLGLNDVOZOHRG-UECIEQQWSA-N 0 0 501.413 3.682 40 30 KHEBRN COc1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101316289 554723705 /nfs/dbraw/zinc/72/37/05/554723705.db2.gz PDLGLNDVOZOHRG-ZAKLOSRSSA-N 0 0 501.413 3.682 40 30 KHEBRN COc1ccc(N2/C(=N\C(=O)COc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101316291 554723721 /nfs/dbraw/zinc/72/37/21/554723721.db2.gz PDLGLNDVOZOHRG-RLKXQLGISA-N 0 0 501.413 3.682 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316942 554724125 /nfs/dbraw/zinc/72/41/25/554724125.db2.gz FQVAALCAWGMNGZ-UVIWCIPMSA-N 0 0 542.001 3.875 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316943 554724130 /nfs/dbraw/zinc/72/41/30/554724130.db2.gz FQVAALCAWGMNGZ-HZOQXCJJSA-N 0 0 542.001 3.875 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316945 554724142 /nfs/dbraw/zinc/72/41/42/554724142.db2.gz FQVAALCAWGMNGZ-OQTOFKCSSA-N 0 0 542.001 3.875 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000101316947 554724169 /nfs/dbraw/zinc/72/41/69/554724169.db2.gz FQVAALCAWGMNGZ-SAQHTDILSA-N 0 0 542.001 3.875 40 30 KHEBRN CCc1cccc(CC)c1N1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000101317208 554724354 /nfs/dbraw/zinc/72/43/54/554724354.db2.gz RPKMUBZJDYTUTC-YQWZBSQQSA-N 0 0 502.658 3.673 40 30 KHEBRN CCc1cccc(CC)c1N1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000101317209 554724365 /nfs/dbraw/zinc/72/43/65/554724365.db2.gz RPKMUBZJDYTUTC-YQPSJAIUSA-N 0 0 502.658 3.673 40 30 KHEBRN CCc1cccc(CC)c1N1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000101317210 554724303 /nfs/dbraw/zinc/72/43/03/554724303.db2.gz RPKMUBZJDYTUTC-AISQCXPISA-N 0 0 502.658 3.673 40 30 KHEBRN CCc1cccc(CC)c1N1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000101317211 554724341 /nfs/dbraw/zinc/72/43/41/554724341.db2.gz RPKMUBZJDYTUTC-BDTVHBJNSA-N 0 0 502.658 3.673 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317508 554724569 /nfs/dbraw/zinc/72/45/69/554724569.db2.gz HJYBBFPIRATGGJ-XUDGMRMMSA-N 0 0 508.621 3.946 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317512 554724603 /nfs/dbraw/zinc/72/46/03/554724603.db2.gz HJYBBFPIRATGGJ-SJPQPCSQSA-N 0 0 508.621 3.946 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317516 554724601 /nfs/dbraw/zinc/72/46/01/554724601.db2.gz HJYBBFPIRATGGJ-ZLRXHDJFSA-N 0 0 508.621 3.946 40 30 KHEBRN O=C(COc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317519 554724587 /nfs/dbraw/zinc/72/45/87/554724587.db2.gz HJYBBFPIRATGGJ-WRBPGETISA-N 0 0 508.621 3.946 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317649 554724785 /nfs/dbraw/zinc/72/47/85/554724785.db2.gz LYLUIVFIMQJUPJ-KTUPQKOVSA-N 0 0 545.683 3.782 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317650 554724743 /nfs/dbraw/zinc/72/47/43/554724743.db2.gz LYLUIVFIMQJUPJ-IQOWFSEPSA-N 0 0 545.683 3.782 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317653 554724781 /nfs/dbraw/zinc/72/47/81/554724781.db2.gz LYLUIVFIMQJUPJ-MQHDBGQDSA-N 0 0 545.683 3.782 40 30 KHEBRN CC(C)(C)OC(=O)NCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000101317655 554724761 /nfs/dbraw/zinc/72/47/61/554724761.db2.gz LYLUIVFIMQJUPJ-UBIWRKRXSA-N 0 0 545.683 3.782 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317758 554724766 /nfs/dbraw/zinc/72/47/66/554724766.db2.gz UBELZRHGHWXSMY-FBILQTODSA-N 0 0 562.838 3.625 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317760 554724736 /nfs/dbraw/zinc/72/47/36/554724736.db2.gz UBELZRHGHWXSMY-XWGOGYMWSA-N 0 0 562.838 3.625 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317763 554724789 /nfs/dbraw/zinc/72/47/89/554724789.db2.gz UBELZRHGHWXSMY-ZWTLYLSISA-N 0 0 562.838 3.625 40 30 KHEBRN O=C(COc1ccc(Cl)cc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317765 554724752 /nfs/dbraw/zinc/72/47/52/554724752.db2.gz UBELZRHGHWXSMY-JFOZHCFESA-N 0 0 562.838 3.625 40 30 KHEBRN O=C(CCC1CCCC1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317768 554724993 /nfs/dbraw/zinc/72/49/93/554724993.db2.gz MSJXKWXLKNZGIK-GFGLJSBJSA-N 0 0 518.442 3.863 40 30 KHEBRN O=C(CCC1CCCC1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317769 554724997 /nfs/dbraw/zinc/72/49/97/554724997.db2.gz MSJXKWXLKNZGIK-SFEXGQDGSA-N 0 0 518.442 3.863 40 30 KHEBRN O=C(CCC1CCCC1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317773 554725003 /nfs/dbraw/zinc/72/50/03/554725003.db2.gz MSJXKWXLKNZGIK-JROKQLJMSA-N 0 0 518.442 3.863 40 30 KHEBRN O=C(CCC1CCCC1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317775 554725020 /nfs/dbraw/zinc/72/50/20/554725020.db2.gz MSJXKWXLKNZGIK-OOADYSHXSA-N 0 0 518.442 3.863 40 30 KHEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317790 554724992 /nfs/dbraw/zinc/72/49/92/554724992.db2.gz LOFLJSOFVXERIH-FBILQTODSA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317792 554725001 /nfs/dbraw/zinc/72/50/01/554725001.db2.gz LOFLJSOFVXERIH-XWGOGYMWSA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317793 554725017 /nfs/dbraw/zinc/72/50/17/554725017.db2.gz LOFLJSOFVXERIH-ZWTLYLSISA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccc(Cl)cc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317796 554724980 /nfs/dbraw/zinc/72/49/80/554724980.db2.gz LOFLJSOFVXERIH-JFOZHCFESA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317797 554725018 /nfs/dbraw/zinc/72/50/18/554725018.db2.gz KMMIKCSWHXSBNX-FBILQTODSA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccccc1Cl)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317800 554724987 /nfs/dbraw/zinc/72/49/87/554724987.db2.gz KMMIKCSWHXSBNX-XWGOGYMWSA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317801 554724989 /nfs/dbraw/zinc/72/49/89/554724989.db2.gz KMMIKCSWHXSBNX-ZWTLYLSISA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(Cc1ccccc1Cl)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317803 554725021 /nfs/dbraw/zinc/72/50/21/554725021.db2.gz KMMIKCSWHXSBNX-JFOZHCFESA-N 0 0 546.839 3.789 40 30 KHEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317822 554725002 /nfs/dbraw/zinc/72/50/02/554725002.db2.gz VLDRQWYXZGBSPU-SCQYRGFBSA-N 0 0 526.421 3.525 40 30 KHEBRN O=C(CCc1ccccc1)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317823 554724995 /nfs/dbraw/zinc/72/49/95/554724995.db2.gz VLDRQWYXZGBSPU-QNWGQDPCSA-N 0 0 526.421 3.525 40 30 KHEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1 ZINC000101317824 554724996 /nfs/dbraw/zinc/72/49/96/554724996.db2.gz VLDRQWYXZGBSPU-LNQCCUSDSA-N 0 0 526.421 3.525 40 30 KHEBRN O=C(CCc1ccccc1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1 ZINC000101317826 554725015 /nfs/dbraw/zinc/72/50/15/554725015.db2.gz VLDRQWYXZGBSPU-UGJKGHESSA-N 0 0 526.421 3.525 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)cc3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319128 554726687 /nfs/dbraw/zinc/72/66/87/554726687.db2.gz DAZNAAGYPNKDRS-LPIXQNDASA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)cc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319132 554726697 /nfs/dbraw/zinc/72/66/97/554726697.db2.gz DAZNAAGYPNKDRS-SDMCOGSRSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319135 554726675 /nfs/dbraw/zinc/72/66/75/554726675.db2.gz DAZNAAGYPNKDRS-OZKCNIJVSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)cc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319136 554726648 /nfs/dbraw/zinc/72/66/48/554726648.db2.gz DAZNAAGYPNKDRS-ILHTVEFGSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccccc3OC)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319349 554726905 /nfs/dbraw/zinc/72/69/05/554726905.db2.gz ZBTNMCCXLYGVAW-HOZRQXEUSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccccc3OC)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319353 554726959 /nfs/dbraw/zinc/72/69/59/554726959.db2.gz ZBTNMCCXLYGVAW-CMIOCKJXSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccccc3OC)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319357 554726922 /nfs/dbraw/zinc/72/69/22/554726922.db2.gz ZBTNMCCXLYGVAW-AYPLHMSZSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccccc3OC)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319359 554726926 /nfs/dbraw/zinc/72/69/26/554726926.db2.gz ZBTNMCCXLYGVAW-HNIQLQTOSA-N 0 0 501.674 3.694 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319361 554726939 /nfs/dbraw/zinc/72/69/39/554726939.db2.gz XBZXAUNCMNTJET-AYJCIYROSA-N 0 0 531.700 3.703 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000101319362 554726935 /nfs/dbraw/zinc/72/69/35/554726935.db2.gz XBZXAUNCMNTJET-ZSZMVQPKSA-N 0 0 531.700 3.703 40 30 KHEBRN CCN(CC)c1ccc(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000101319365 554726945 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554778440 /nfs/dbraw/zinc/77/84/40/554778440.db2.gz KECSSPWGOKTOJP-KCSSXMTESA-N 0 0 533.544 3.994 40 30 KHEBRN NC1=C(C(=O)c2ccccc2)[C@H](c2ccco2)C(C(=O)c2ccccc2)=c2sc(=Cc3ccco3)c(=O)n21 ZINC000101461665 554778669 /nfs/dbraw/zinc/77/86/69/554778669.db2.gz LPLQOFINOQKELG-RJYQMNAMSA-N 0 0 520.566 3.766 40 30 KHEBRN NC1=C(C(=O)c2ccccc2)[C@@H](c2ccco2)C(C(=O)c2ccccc2)=c2sc(=Cc3ccco3)c(=O)n21 ZINC000101461668 554778723 /nfs/dbraw/zinc/77/87/23/554778723.db2.gz LPLQOFINOQKELG-IYTCMIDZSA-N 0 0 520.566 3.766 40 30 KHEBRN CCOC(=O)/C(=N\Nc1ccccc1)[P@](=O)(/N=c1\sn(-c2ccccc2)nc1C(=O)OCC)OC ZINC000101462351 554779283 /nfs/dbraw/zinc/77/92/83/554779283.db2.gz MCMAXHCDTOTOAB-XMOYEQNFSA-N 0 0 517.504 3.839 40 30 KHEBRN COc1cc(/C=C2\S/C(=N/c3ccc(S(N)(=O)=O)cc3)NC2=O)c(Br)c(Br)c1OC ZINC000101525146 554794286 /nfs/dbraw/zinc/79/42/86/554794286.db2.gz WYNBQPYHIGQPMK-JYRVWZFOSA-N 0 0 577.276 3.768 40 30 KHEBRN COc1ccc(C(=O)OC2=C(C(=O)c3ccccc3)N(CCN(C)C)S(=O)(=O)c3ccccc32)cc1OC ZINC000101572361 554798131 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/nfs/dbraw/zinc/86/41/83/554864183.db2.gz SMJBTEXKPDROKC-QGZVFWFLSA-N 0 0 527.560 3.525 40 30 KHEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 ZINC000101992260 554864161 /nfs/dbraw/zinc/86/41/61/554864161.db2.gz SMJBTEXKPDROKC-KRWDZBQOSA-N 0 0 527.560 3.525 40 30 KHEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)CCN2C(=O)c3ccccc3C2=O)n1 ZINC000101992263 554864176 /nfs/dbraw/zinc/86/41/76/554864176.db2.gz GNKROWWWWAMQFF-UHFFFAOYSA-N 0 0 527.560 3.527 40 30 KHEBRN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(F)cc23)NC(=O)CSc2nnnn2-c2ccccc2)n1 ZINC000101992288 554864215 /nfs/dbraw/zinc/86/42/15/554864215.db2.gz QCLARBPEADCOAH-UHFFFAOYSA-N 0 0 544.620 3.609 40 30 KHEBRN COc1cc([C@H]2Cc3c4c(=O)n(-c5ccccc5)nc-4[nH]cc3C(=O)C2=CN(C)C)cc(OC)c1OC ZINC000101992964 554864135 /nfs/dbraw/zinc/86/41/35/554864135.db2.gz NSLAIRMLGRGPFE-AFDUHFSSSA-N 0 0 500.555 3.708 40 30 KHEBRN CCCC[C@@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@@](O)(/C=C\C=CC=CC(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O ZINC000102178983 554893397 /nfs/dbraw/zinc/89/33/97/554893397.db2.gz TWWQHCKLTXDWBD-YMAGJXEESA-N 0 0 550.652 3.704 40 30 in-vitro KHEBRN CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=NN(C)C)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1 ZINC000102415262 1066884754 /nfs/dbraw/zinc/88/47/54/1066884754.db2.gz NFFMZFAGIBGQJD-UHFFFAOYSA-N 0 0 544.743 3.822 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=NN)c2cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc2-3)cc1 ZINC000102415287 1066884796 /nfs/dbraw/zinc/88/47/96/1066884796.db2.gz PLUQSOILEJFMHR-UHFFFAOYSA-N 0 0 564.645 3.997 40 30 KHEBRN Cc1ccc(C)c(N=C2C=C(NS(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)c3ccccc3C2=O)c1 ZINC000102612482 554982090 /nfs/dbraw/zinc/98/20/90/554982090.db2.gz SGGXKCKGRIAXTI-IADYIPOJSA-N 0 0 500.580 3.864 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000102701215 555013138 /nfs/dbraw/zinc/01/31/38/555013138.db2.gz LNOQQRKJZFBSFZ-UHFFFAOYSA-N 0 0 546.993 3.704 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)OCCC)c1 ZINC000102797799 555071888 /nfs/dbraw/zinc/07/18/88/555071888.db2.gz WFZJFGDVRJRRGJ-UHFFFAOYSA-N 0 0 553.641 3.709 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000102797806 555071943 /nfs/dbraw/zinc/07/19/43/555071943.db2.gz ZEVKLGWOOZMHQB-UHFFFAOYSA-N 0 0 553.641 3.707 40 30 KHEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000102922549 555147393 /nfs/dbraw/zinc/14/73/93/555147393.db2.gz LIKREAAFSLEKNN-QTEAAIINSA-N 0 0 569.080 3.870 40 30 KHEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000102922555 555147398 /nfs/dbraw/zinc/14/73/98/555147398.db2.gz LIKREAAFSLEKNN-OKPNVDCHSA-N 0 0 569.080 3.870 40 30 KHEBRN CCC(CC)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102923829 555148263 /nfs/dbraw/zinc/14/82/63/555148263.db2.gz QOWUCKROWUVYCM-GUMONVLZSA-N 0 0 574.725 3.865 40 30 KHEBRN CCC(CC)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)S/C1=N\c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102923835 555148265 /nfs/dbraw/zinc/14/82/65/555148265.db2.gz QOWUCKROWUVYCM-CSGLMTGXSA-N 0 0 574.725 3.865 40 30 KHEBRN Cc1c(C(=O)/N=C2\c3ccccc3CN2c2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000102925024 555149137 /nfs/dbraw/zinc/14/91/37/555149137.db2.gz YWOYVKIGICZRGD-IMVLJIQESA-N 0 0 520.567 3.531 40 30 KHEBRN C/C(=N\N1/C(=N/c2cccnc2)SC[C@]1(O)c1ccc2c(c1)NC(=O)CO2)c1ccc(C)c([N+](=O)[O-])c1 ZINC000102925251 555149452 /nfs/dbraw/zinc/14/94/52/555149452.db2.gz ZIXBUOXEUXVCDE-KFHLWIAVSA-N 0 0 518.555 3.935 40 30 KHEBRN CCN(CC)S(=O)(=O)c1cc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1C ZINC000102925763 555150217 /nfs/dbraw/zinc/15/02/17/555150217.db2.gz YUZUYJDNPCBRCR-ORIPQNMZSA-N 0 0 568.721 3.883 40 30 KHEBRN O=C(/N=C1\c2ccccc2CN1c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000102927119 555151690 /nfs/dbraw/zinc/15/16/90/555151690.db2.gz SARZVJGTCSRIDJ-SOYKGTTHSA-N 0 0 540.985 3.876 40 30 KHEBRN CN(C)S(=O)(=O)c1cccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000102928374 555153785 /nfs/dbraw/zinc/15/37/85/555153785.db2.gz JWOWBRKMTOVDEY-ORIPQNMZSA-N 0 0 566.705 3.719 40 30 KHEBRN CN(c1ccccc1)c1ccc(/C=c2/s/c(=C(/C#N)C(=O)C(C)(C)C)n(CCCN3CCOCC3)c2=O)cc1 ZINC000102929637 555155582 /nfs/dbraw/zinc/15/55/82/555155582.db2.gz SKTBCXWIWNIPGZ-SLEMQQMUSA-N 0 0 544.721 3.518 40 30 KHEBRN Cc1ccc(/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000102929952 555156098 /nfs/dbraw/zinc/15/60/98/555156098.db2.gz CRYNYQOOZTXJBA-NLRVBDNBSA-N 0 0 512.657 3.727 40 30 KHEBRN CCOC(=O)c1c(NC(=O)/C(C#N)=c2/s/c(=C/c3ccc(Cl)cc3)c(=O)n2CC)sc2c1CCCC2 ZINC000102930868 555158008 /nfs/dbraw/zinc/15/80/08/555158008.db2.gz DXZXTIOLMDEWQX-LJBYKIKFSA-N 0 0 542.082 3.842 40 30 KHEBRN COc1cc(/C=N/NC(=S)N=P(N2CCOCC2)(N2CCOCC2)C(C)(C)C)cc(Br)c1O ZINC000102934687 555161737 /nfs/dbraw/zinc/16/17/37/555161737.db2.gz AERFSXATPBTPNE-HZHRSRAPSA-N 0 0 562.471 3.866 40 30 KHEBRN O=C(/N=C1\c2ccccc2CN1c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)o1 ZINC000102938783 555167429 /nfs/dbraw/zinc/16/74/29/555167429.db2.gz MKONAGFJJDOVKQ-YYDJUVGSSA-N 0 0 530.400 3.670 40 30 KHEBRN CN(C)S(=O)(=O)c1ccc(C(=O)/N=C2\N=C3C=CC(I)=CN3Cc3ccccc32)cc1 ZINC000102944389 555171184 /nfs/dbraw/zinc/17/11/84/555171184.db2.gz UPLXSFWWGZWJJQ-DAFNUICNSA-N 0 0 546.390 3.584 40 30 KHEBRN O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102947629 555172216 /nfs/dbraw/zinc/17/22/16/555172216.db2.gz FJJDHBQNYREEEI-WEMUOSSPSA-N 0 0 575.872 3.968 40 30 KHEBRN COc1ccc(OC)c(-c2[nH]c(=N)sc2N=Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000102949402 555172476 /nfs/dbraw/zinc/17/24/76/555172476.db2.gz PNICOYDFCQFXJI-YGXVNBIISA-N 0 0 517.633 3.783 40 30 KHEBRN CCOC(=O)C(N=Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1Cl)C(=O)c1cccnc1 ZINC000102949587 555172689 /nfs/dbraw/zinc/17/26/89/555172689.db2.gz KZQOXOBCVSCCEX-MEFGMAGPSA-N 0 0 516.963 3.758 40 30 KHEBRN COCC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000102959806 555175070 /nfs/dbraw/zinc/17/50/70/555175070.db2.gz SYLQEBXCTCZZBX-ROPJYYIKSA-N 0 0 543.024 3.796 40 30 KHEBRN COCC/N=c1/scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000102959810 555175173 /nfs/dbraw/zinc/17/51/73/555175173.db2.gz SYLQEBXCTCZZBX-KZJFBPRGSA-N 0 0 543.024 3.796 40 30 KHEBRN Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1/scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1ccc2c(c1)OCO2 ZINC000102959970 555175437 /nfs/dbraw/zinc/17/54/37/555175437.db2.gz IAZSUBRFXMGTMH-DXULCCDYSA-N 0 0 591.671 3.950 40 30 KHEBRN Cc1ccc(S(=O)(=O)N(C)C)cc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1ccc2c(c1)OCO2 ZINC000102959972 555175385 /nfs/dbraw/zinc/17/53/85/555175385.db2.gz IAZSUBRFXMGTMH-UHBFLWSQSA-N 0 0 591.671 3.950 40 30 KHEBRN C/N=c1\scc(-c2ccc(Br)s2)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000102960353 555175639 /nfs/dbraw/zinc/17/56/39/555175639.db2.gz AFDBFDPYYOCTMZ-PLGLAXGTSA-N 0 0 551.488 3.700 40 30 KHEBRN C/N=c1/scc(-c2ccc(Br)s2)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000102960356 555175566 /nfs/dbraw/zinc/17/55/66/555175566.db2.gz AFDBFDPYYOCTMZ-NZSCJIQFSA-N 0 0 551.488 3.700 40 30 KHEBRN C/N=c1/scc(-c2cccc(Cl)c2)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000102960361 555175558 /nfs/dbraw/zinc/17/55/58/555175558.db2.gz RKDMNWXYFLALRT-WLWWCZIBSA-N 0 0 501.008 3.529 40 30 KHEBRN COc1ccc(CC/N=c2\scc(-c3ccc(O)c(C(N)=O)c3)n2/N=C/c2ccc3c(c2)OCCO3)cc1OC ZINC000102960861 555176107 /nfs/dbraw/zinc/17/61/07/555176107.db2.gz LROWIGWAHRLIPG-JKZYOJLFSA-N 0 0 560.632 3.835 40 30 KHEBRN COc1ccc(CC/N=c2/scc(-c3ccc(O)c(C(N)=O)c3)n2/N=C/c2ccc3c(c2)OCCO3)cc1OC ZINC000102960864 555176152 /nfs/dbraw/zinc/17/61/52/555176152.db2.gz LROWIGWAHRLIPG-SYNAIYEKSA-N 0 0 560.632 3.835 40 30 KHEBRN COc1cc(/C=N/n2c(-c3ccc(F)cc3)cs/c2=N\C[C@@H]2CCCO2)ccc1OCC(=O)N1CCOCC1 ZINC000102960876 555176126 /nfs/dbraw/zinc/17/61/26/555176126.db2.gz UZRWCYGDAAPFRN-QZRYTFJKSA-N 0 0 554.644 3.564 40 30 KHEBRN COc1cc(OC)c(OC)cc1/C=N/n1c(-c2ccc3c(c2)OCCO3)cs/c1=N/C[C@@H]1CCCO1 ZINC000102960886 555176104 /nfs/dbraw/zinc/17/61/04/555176104.db2.gz UTVBXKBTGYVPTE-SBVMIMLUSA-N 0 0 511.600 3.976 40 30 KHEBRN COc1cc(/C=N/n2c(-c3ccc(F)cc3)cs/c2=N/C2CC2)ccc1OCC(=O)N1CCOCC1 ZINC000102960935 555176378 /nfs/dbraw/zinc/17/63/78/555176378.db2.gz YFSYWXDAFJPJHC-NFUUKFBLSA-N 0 0 510.591 3.547 40 30 KHEBRN CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961127 555176640 /nfs/dbraw/zinc/17/66/40/555176640.db2.gz CZJYEBFMSCUQTL-BPMVYWJCSA-N 0 0 551.090 3.731 40 30 KHEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961131 555176653 /nfs/dbraw/zinc/17/66/53/555176653.db2.gz CZJYEBFMSCUQTL-RTGZZVAKSA-N 0 0 551.090 3.731 40 30 KHEBRN CCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961156 555176620 /nfs/dbraw/zinc/17/66/20/555176620.db2.gz PBNWSTCJAXZWLW-GOTSBPSXSA-N 0 0 548.662 3.607 40 30 KHEBRN CCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102961157 555176615 /nfs/dbraw/zinc/17/66/15/555176615.db2.gz PBNWSTCJAXZWLW-SIHNDCSESA-N 0 0 548.662 3.607 40 30 KHEBRN CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000102961231 555176659 /nfs/dbraw/zinc/17/66/59/555176659.db2.gz QZCIYTWTRKTDKH-TYGLDRHGSA-N 0 0 502.662 3.924 40 30 KHEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(S(=O)(=O)N(C)C)ccc1C ZINC000102961234 555176627 /nfs/dbraw/zinc/17/66/27/555176627.db2.gz QZCIYTWTRKTDKH-MONKAWABSA-N 0 0 502.662 3.924 40 30 KHEBRN CCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102962486 555178943 /nfs/dbraw/zinc/17/89/43/555178943.db2.gz BKDHMPHWHYWXLB-NWIBBQCFSA-N 0 0 509.053 3.961 40 30 KHEBRN CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(S(=O)(=O)N(C)C)c1 ZINC000102962487 555178930 /nfs/dbraw/zinc/17/89/30/555178930.db2.gz BKDHMPHWHYWXLB-IPQBESIJSA-N 0 0 509.053 3.961 40 30 KHEBRN Cc1ccc(-n2c(=O)/c(=C\c3ccc(C#N)cc3)s/c2=C(/C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C ZINC000102962911 555179152 /nfs/dbraw/zinc/17/91/52/555179152.db2.gz ZABIRUHDHNVWHW-OZZRSNJASA-N 0 0 623.760 3.704 40 30 KHEBRN N#C/C(C(=O)N1CCCC1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000102963152 555179361 /nfs/dbraw/zinc/17/93/61/555179361.db2.gz KIBITYKCDPGWDX-HBGFAASGSA-N 0 0 535.494 3.645 40 30 KHEBRN N#C/C(C(=O)N1CCCC1)=c1/s/c(=C/c2ccccc2OC(F)F)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000102963158 555179417 /nfs/dbraw/zinc/17/94/17/555179417.db2.gz ZDYJNYLAUYYOCF-BWSDHSEPSA-N 0 0 535.494 3.645 40 30 KHEBRN CCOCCCn1c(=O)/c(=C/c2ccc(OC(F)F)c(OC)c2)s/c1=C(\C#N)C(=O)Nc1ccccc1Cl ZINC000102963195 555179395 /nfs/dbraw/zinc/17/93/95/555179395.db2.gz VQEPTNGFWFGSOW-BFKYXJSMSA-N 0 0 564.010 3.742 40 30 KHEBRN CCOCCCn1c(=O)/c(=C\c2ccc(OC(F)F)c(OC)c2)s/c1=C(/C#N)C(=O)Nc1ccccc1Cl ZINC000102963196 555179397 /nfs/dbraw/zinc/17/93/97/555179397.db2.gz VQEPTNGFWFGSOW-BUFGWUEUSA-N 0 0 564.010 3.742 40 30 KHEBRN CCOc1ccccc1-n1c(=O)/c(=C\c2cc(OC)c(OC)cc2OC)s/c1=C(/C#N)C(=O)Nc1ccccc1F ZINC000102963212 555179393 /nfs/dbraw/zinc/17/93/93/555179393.db2.gz GUGCCCPYGIOBAE-RBRGDJDJSA-N 0 0 575.618 3.604 40 30 KHEBRN N#C/C(C(=O)c1ccccc1)=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000102963247 555179363 /nfs/dbraw/zinc/17/93/63/555179363.db2.gz MCQBXROTARMTSP-OKWNCWLBSA-N 0 0 532.524 3.674 40 30 KHEBRN COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)n(Cc3ccco3)c2=O)c(OC)c1OC ZINC000102963376 555179409 /nfs/dbraw/zinc/17/94/09/555179409.db2.gz KBDRHTPUCFGMQT-AONQLUHZSA-N 0 0 585.560 3.737 40 30 KHEBRN CCOc1ccc(-n2c(=O)/c(=C\c3ccc(OC)c(OC)c3OC)s/c2=C(/C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000102963396 555179420 /nfs/dbraw/zinc/17/94/20/555179420.db2.gz RODLBOWCRYFYPA-HKTVHZQOSA-N 0 0 571.655 3.774 40 30 KHEBRN CCc1ccc(-n2c(=O)/c(=C/c3ccc(OC)c(OC)c3OC)s/c2=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 ZINC000102963493 555179595 /nfs/dbraw/zinc/17/95/95/555179595.db2.gz KFRFRAPJWCEVRV-WQGBCKKLSA-N 0 0 571.655 3.638 40 30 KHEBRN CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=c2\s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2-c2ccc(C)cc2)c1C ZINC000102963559 555179564 /nfs/dbraw/zinc/17/95/64/555179564.db2.gz AELKTCXHGPVVRE-GBEWXVFFSA-N 0 0 556.600 3.623 40 30 KHEBRN COc1cc(/C=c2/s/c(=C(/C#N)C(=O)C(C)(C)C)n(-c3ccc(F)cc3)c2=O)cc(Br)c1O ZINC000102963754 555179559 /nfs/dbraw/zinc/17/95/59/555179559.db2.gz ZAMQFAKSSYLPKM-UTADKWFFSA-N 0 0 531.403 3.633 40 30 KHEBRN COc1cccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)c1 ZINC000102963778 555179804 /nfs/dbraw/zinc/17/98/04/555179804.db2.gz AUOQTHPAAWZCIA-RPBGBGCUSA-N 0 0 519.529 3.651 40 30 KHEBRN COc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)cc1OC ZINC000102963795 555179767 /nfs/dbraw/zinc/17/97/67/555179767.db2.gz KHMHVKMWZIBVAW-PFTKJDFUSA-N 0 0 549.555 3.659 40 30 KHEBRN N#C/C(c1nnc2n1CCCCC2)=c1/s/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000102963898 555179782 /nfs/dbraw/zinc/17/97/82/555179782.db2.gz ZNPGPPZDTRSELD-QGODZWJASA-N 0 0 550.600 3.936 40 30 KHEBRN N#C/C(c1nnc2n1CCCCC2)=c1\s/c(=C/c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000102963908 555179794 /nfs/dbraw/zinc/17/97/94/555179794.db2.gz QNYZRXNSJXWCSW-LQPBJRFZSA-N 0 0 518.440 3.531 40 30 KHEBRN O=C(Oc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000102964585 555179904 /nfs/dbraw/zinc/17/99/04/555179904.db2.gz HQGOPGKMRDNCOC-PCLIKHOPSA-N 0 0 539.526 3.953 40 30 KHEBRN C/C(=N\NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OC(F)F)cc1OC(F)F ZINC000102977226 555186460 /nfs/dbraw/zinc/18/64/60/555186460.db2.gz XTGHGHKZVDKFSE-UVHMKAGCSA-N 0 0 550.556 3.621 40 30 KHEBRN Cc1cc(CN=Nc2ccc(Cl)nn2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000102979560 555187000 /nfs/dbraw/zinc/18/70/00/555187000.db2.gz NVSUJLGQBNZQNM-PKAZHMFMSA-N 0 0 544.081 3.605 40 30 KHEBRN O=C1C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c2ccccc2N1Cc1ccccc1Cl ZINC000102980988 555187932 /nfs/dbraw/zinc/18/79/32/555187932.db2.gz DQNFHZAMDYXCCD-ZZIIXHQDSA-N 0 0 556.000 3.632 40 30 KHEBRN COc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 ZINC000102981019 555187954 /nfs/dbraw/zinc/18/79/54/555187954.db2.gz GJDXZEZXUWEQFF-MTDXEUNCSA-N 0 0 562.608 3.923 40 30 KHEBRN O=[N+]([O-])c1ccc(N=NC2C[C@H](c3ccccc3)Oc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 ZINC000102981028 555187946 /nfs/dbraw/zinc/18/79/46/555187946.db2.gz ARLIQCJGXINLHO-OGCOBRASSA-N 0 0 508.556 3.956 40 30 KHEBRN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000102981036 555187924 /nfs/dbraw/zinc/18/79/24/555187924.db2.gz REHWSMJGBMHJHZ-ZMOGYAJESA-N 0 0 539.401 3.863 40 30 KHEBRN CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000102983377 555189263 /nfs/dbraw/zinc/18/92/63/555189263.db2.gz FAHKDKJUPBSVDB-ZVHZXABRSA-N 0 0 531.576 3.921 40 30 KHEBRN CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(OC(=O)c3cccnc3)c(OC)c2)c([N+](=O)[O-])c1 ZINC000102983404 555189248 /nfs/dbraw/zinc/18/92/48/555189248.db2.gz KZPHPKOZKIQMRG-CVKSISIWSA-N 0 0 527.559 3.694 40 30 KHEBRN NS(=O)(=O)c1ccc(-c2ccc(CN=Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])o2)cc1 ZINC000102983484 555189230 /nfs/dbraw/zinc/18/92/30/555189230.db2.gz OBHQGABQDHWLME-MFKUBSTISA-N 0 0 541.567 3.749 40 30 KHEBRN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1[N-][NH+]=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000102983490 555189202 /nfs/dbraw/zinc/18/92/02/555189202.db2.gz AQJOBROMSWFKKB-LFVJCYFKSA-N 0 0 526.531 3.586 40 30 KHEBRN COc1cc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl ZINC000102983709 555189533 /nfs/dbraw/zinc/18/95/33/555189533.db2.gz NGYDNSLDOUZPOT-JVWAILMASA-N 0 0 574.999 3.943 40 30 KHEBRN CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2C)cc1 ZINC000102983713 555189464 /nfs/dbraw/zinc/18/94/64/555189464.db2.gz QRGKKZMUSVHGOP-WPWMEQJKSA-N 0 0 555.613 3.646 40 30 KHEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000102983717 555189722 /nfs/dbraw/zinc/18/97/22/555189722.db2.gz WGQBAEAMOGFZIB-RDRPBHBLSA-N 0 0 590.618 3.686 40 30 KHEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000102983748 555189633 /nfs/dbraw/zinc/18/96/33/555189633.db2.gz JNBVARRITPSRFO-PCLIKHOPSA-N 0 0 538.611 3.976 40 30 KHEBRN COc1ccc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1OCc1ccccc1 ZINC000102983761 555189683 /nfs/dbraw/zinc/18/96/83/555189683.db2.gz JXSHUXYJFPFPHW-YZSQISJMSA-N 0 0 526.571 3.649 40 30 KHEBRN NS(=O)(=O)c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 ZINC000102984429 555190213 /nfs/dbraw/zinc/19/02/13/555190213.db2.gz JHXCDSDLYAGTAZ-MZJWZYIUSA-N 0 0 530.522 3.647 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3cc(OC)c(OC(C)=O)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000102985359 555190486 /nfs/dbraw/zinc/19/04/86/555190486.db2.gz VKGDANHSSKUXOU-QFEZKATASA-N 0 0 544.542 3.793 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(N=NCc3cc(OC)c(OC(C)=O)c(OC)c3)c([N+](=O)[O-])c2)cc1 ZINC000102985363 555190424 /nfs/dbraw/zinc/19/04/24/555190424.db2.gz VKGDANHSSKUXOU-AFUMVMLFSA-N 0 0 544.542 3.793 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(NN=C3CCS(=O)(=O)c4ccc(F)cc43)c([N+](=O)[O-])c2)cc1 ZINC000102985476 555190523 /nfs/dbraw/zinc/19/05/23/555190523.db2.gz XANQJQKPRQLYIN-CLCOLTQESA-N 0 0 534.547 3.537 40 30 KHEBRN COc1ccc(NS(=O)(=O)c2ccc(NN=C3CCS(=O)(=O)c4ccc(F)cc43)c([N+](=O)[O-])c2)cc1 ZINC000102985479 555190474 /nfs/dbraw/zinc/19/04/74/555190474.db2.gz XANQJQKPRQLYIN-LYBHJNIJSA-N 0 0 534.547 3.537 40 30 KHEBRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1[N-][NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000102985502 555190680 /nfs/dbraw/zinc/19/06/80/555190680.db2.gz VEJHGIHVDATOCX-KOEQRZSOSA-N 0 0 542.643 3.785 40 30 KHEBRN CCOc1ccccc1/N=C1\SCC(C)(C)N1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103028589 555218111 /nfs/dbraw/zinc/21/81/11/555218111.db2.gz IMFKVFYOHXLVIG-BZZOAKBMSA-N 0 0 503.646 3.762 40 30 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/nfs/dbraw/zinc/17/24/79/572172479.db2.gz MXEWHJBJINSZCZ-NVNXTCNLSA-N 0 0 543.770 3.709 40 30 KHEBRN C=CCOc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cccc1OC ZINC000408536364 572191173 /nfs/dbraw/zinc/19/11/73/572191173.db2.gz YZWQGUHZSYXYHK-JWGURIENSA-N 0 0 509.584 3.772 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)nnc1-c1cc(Br)ccc1O ZINC000408543800 572213653 /nfs/dbraw/zinc/21/36/53/572213653.db2.gz QTERFGWJWKJKLL-UHFFFAOYSA-N 0 0 529.420 3.520 40 30 KHEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1)S(C)(=O)=O ZINC000408544587 572215934 /nfs/dbraw/zinc/21/59/34/572215934.db2.gz HWVACZYWDOYSOS-UHFFFAOYSA-N 0 0 503.577 3.831 40 30 KHEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)N4CCCCC4)cc3)c(OC)c2)C(=O)NC1=S ZINC000408544822 572216787 /nfs/dbraw/zinc/21/67/87/572216787.db2.gz VKJQPSVQXZBYHR-JWGURIENSA-N 0 0 519.623 3.713 40 30 KHEBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000408548029 572227774 /nfs/dbraw/zinc/22/77/74/572227774.db2.gz CBIXULJFOIQAJI-CAOOACKPSA-N 0 0 549.175 3.728 40 30 KHEBRN COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Br)c2)C1=O ZINC000408548534 572229443 /nfs/dbraw/zinc/22/94/43/572229443.db2.gz IHNPGQOGDVWCJS-CAOOACKPSA-N 0 0 504.724 3.619 40 30 KHEBRN C=CCc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(OC)c1OCc1ccc(Br)cc1 ZINC000408549760 572232536 /nfs/dbraw/zinc/23/25/36/572232536.db2.gz YMULGQPBZFISMV-YBFXNURJSA-N 0 0 515.360 3.831 40 30 KHEBRN C=CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OCC ZINC000408550740 572234580 /nfs/dbraw/zinc/23/45/80/572234580.db2.gz JJRCUUYBKUERFT-SFQUDFHCSA-N 0 0 542.395 3.913 40 30 KHEBRN C#CCOc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br ZINC000408551182 572235817 /nfs/dbraw/zinc/23/58/17/572235817.db2.gz MAJTVBUXIGPRQU-XNTDXEJSSA-N 0 0 528.222 3.882 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408565134 572251893 /nfs/dbraw/zinc/25/18/93/572251893.db2.gz HWMLILMNJJUCKR-DPPHCXMASA-N 0 0 526.387 3.914 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408565136 572251726 /nfs/dbraw/zinc/25/17/26/572251726.db2.gz HWMLILMNJJUCKR-MXSFIFILSA-N 0 0 526.387 3.914 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408565139 572251799 /nfs/dbraw/zinc/25/17/99/572251799.db2.gz HWMLILMNJJUCKR-PYTYSOFPSA-N 0 0 526.387 3.914 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OCC ZINC000408565140 572251883 /nfs/dbraw/zinc/25/18/83/572251883.db2.gz HWMLILMNJJUCKR-VUHNXCBZSA-N 0 0 526.387 3.914 40 30 KHEBRN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1OCC ZINC000408565199 572252036 /nfs/dbraw/zinc/25/20/36/572252036.db2.gz IVAZVSKMEIYLHG-GNOCETLISA-N 0 0 502.365 3.935 40 30 KHEBRN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1OCC ZINC000408565200 572252129 /nfs/dbraw/zinc/25/21/29/572252129.db2.gz IVAZVSKMEIYLHG-PNDGYVOYSA-N 0 0 502.365 3.935 40 30 KHEBRN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1OCC ZINC000408565201 572252070 /nfs/dbraw/zinc/25/20/70/572252070.db2.gz IVAZVSKMEIYLHG-VSUDMRMVSA-N 0 0 502.365 3.935 40 30 KHEBRN C=CCOc1c(Br)cc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)C2[N+](=O)[O-])cc1OCC ZINC000408565203 572252133 /nfs/dbraw/zinc/25/21/33/572252133.db2.gz IVAZVSKMEIYLHG-XFEAKLGESA-N 0 0 502.365 3.935 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC ZINC000408565735 572253058 /nfs/dbraw/zinc/25/30/58/572253058.db2.gz MBUCMDSUZBZZGQ-AYEZKCMBSA-N 0 0 512.360 3.524 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC ZINC000408565738 572253079 /nfs/dbraw/zinc/25/30/79/572253079.db2.gz MBUCMDSUZBZZGQ-FVSDWULHSA-N 0 0 512.360 3.524 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC ZINC000408565740 572253204 /nfs/dbraw/zinc/25/32/04/572253204.db2.gz MBUCMDSUZBZZGQ-PJXYCGMHSA-N 0 0 512.360 3.524 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2C([N+](=O)[O-])[C@@]3(c4ccccc4NC3=O)N3CCC[C@@H]23)cc1OC ZINC000408565743 572253192 /nfs/dbraw/zinc/25/31/92/572253192.db2.gz MBUCMDSUZBZZGQ-WKKBNRPRSA-N 0 0 512.360 3.524 40 30 KHEBRN C=CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408577995 572262577 /nfs/dbraw/zinc/26/25/77/572262577.db2.gz RPXZUKPUHJYBKF-UHFFFAOYSA-N 0 0 520.181 3.791 40 30 KHEBRN CCOC(=O)c1sc(NC(=O)CSCC(=O)Nc2sc(C(=O)OCC)c(C)c2C#N)c(C#N)c1C ZINC000408585711 572266071 /nfs/dbraw/zinc/26/60/71/572266071.db2.gz IPTOCRIZJSKLEZ-UHFFFAOYSA-N 0 0 534.641 3.834 40 30 KHEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1c3ccccc3C2c2ccccc21 ZINC000408586976 572266425 /nfs/dbraw/zinc/26/64/25/572266425.db2.gz DIJGKMACQKDAGR-BCIXYHELSA-N 0 0 508.534 3.658 40 30 KHEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1c3ccccc3C2c2ccccc21 ZINC000408586978 572266401 /nfs/dbraw/zinc/26/64/01/572266401.db2.gz DIJGKMACQKDAGR-DVKISJPDSA-N 0 0 508.534 3.658 40 30 KHEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)C1c3ccccc3C2c2ccccc21 ZINC000408586980 572266353 /nfs/dbraw/zinc/26/63/53/572266353.db2.gz DIJGKMACQKDAGR-TUXOLSEKSA-N 0 0 508.534 3.658 40 30 KHEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000408588167 572266708 /nfs/dbraw/zinc/26/67/08/572266708.db2.gz IEKXQHKFDKMQST-BCIXYHELSA-N 0 0 508.534 3.658 40 30 KHEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000408588170 572266780 /nfs/dbraw/zinc/26/67/80/572266780.db2.gz IEKXQHKFDKMQST-DVKISJPDSA-N 0 0 508.534 3.658 40 30 KHEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)C1c3ccccc3C2c2ccccc21 ZINC000408588172 572266714 /nfs/dbraw/zinc/26/67/14/572266714.db2.gz IEKXQHKFDKMQST-TUXOLSEKSA-N 0 0 508.534 3.658 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000408594777 572269948 /nfs/dbraw/zinc/26/99/48/572269948.db2.gz BLQNCXJVYWIXFZ-UHFFFAOYSA-N 0 0 544.431 3.674 40 30 KHEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000408594905 572269967 /nfs/dbraw/zinc/26/99/67/572269967.db2.gz DDJSNPRMAXUFKH-RIYZIHGNSA-N 0 0 565.652 3.718 40 30 KHEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408595647 572270483 /nfs/dbraw/zinc/27/04/83/572270483.db2.gz KVMCPLBMDSIGSZ-JLHYYAGUSA-N 0 0 526.018 3.965 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408595662 572270505 /nfs/dbraw/zinc/27/05/05/572270505.db2.gz LBPWUKYTZDYEIB-GOSISDBHSA-N 0 0 537.642 3.800 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408595980 572270629 /nfs/dbraw/zinc/27/06/29/572270629.db2.gz LBPWUKYTZDYEIB-SFHVURJKSA-N 0 0 537.642 3.800 40 30 KHEBRN C=CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000408596029 572270591 /nfs/dbraw/zinc/27/05/91/572270591.db2.gz MOYLYRNFROEMHW-VAWYXSNFSA-N 0 0 526.018 3.965 40 30 KHEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000408596035 572270618 /nfs/dbraw/zinc/27/06/18/572270618.db2.gz MRRRLBHSTIOQCQ-ACCUITESSA-N 0 0 565.652 3.718 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408596123 572270704 /nfs/dbraw/zinc/27/07/04/572270704.db2.gz OROPJBYEFLPWSO-GOSISDBHSA-N 0 0 537.642 3.800 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000408596124 572270740 /nfs/dbraw/zinc/27/07/40/572270740.db2.gz OROPJBYEFLPWSO-SFHVURJKSA-N 0 0 537.642 3.800 40 30 KHEBRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000408596477 572270964 /nfs/dbraw/zinc/27/09/64/572270964.db2.gz PZIDFUCSJVHHDW-DHZHZOJOSA-N 0 0 525.606 3.989 40 30 KHEBRN C=CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000408596630 572271068 /nfs/dbraw/zinc/27/10/68/572271068.db2.gz SMEPKXWGQILNII-UHFFFAOYSA-N 0 0 544.431 3.674 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408596988 572271320 /nfs/dbraw/zinc/27/13/20/572271320.db2.gz XJLANESFZXZANR-KRWDZBQOSA-N 0 0 523.615 3.871 40 30 KHEBRN C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408596989 572271322 /nfs/dbraw/zinc/27/13/22/572271322.db2.gz XJLANESFZXZANR-QGZVFWFLSA-N 0 0 523.615 3.871 40 30 KHEBRN COCc1cc(C)n(CC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(=O)c1C#N ZINC000408599881 572272302 /nfs/dbraw/zinc/27/23/02/572272302.db2.gz NONSQQYNKKUZQU-UHFFFAOYSA-N 0 0 504.612 3.684 40 30 KHEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCC(=O)OC(C)C ZINC000408600719 572272626 /nfs/dbraw/zinc/27/26/26/572272626.db2.gz FLRIQEHHMNHDQG-RHANQZHGSA-N 0 0 527.585 3.988 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(=O)OC(C)C ZINC000408601547 572272876 /nfs/dbraw/zinc/27/28/76/572272876.db2.gz KMFBRFBXQCDFAK-PKAZHMFMSA-N 0 0 511.627 3.637 40 30 KHEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1OCC(=O)OC(C)C ZINC000408601942 572273023 /nfs/dbraw/zinc/27/30/23/572273023.db2.gz MHZAMJSICKAFPO-QRQIAZFYSA-N 0 0 519.606 3.812 40 30 KHEBRN COc1cc(/C=N\N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(=O)OC(C)C ZINC000408602409 572273314 /nfs/dbraw/zinc/27/33/14/572273314.db2.gz NIJNLCDEDLICGG-VEILYXNESA-N 0 0 525.654 3.662 40 30 KHEBRN C=CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O ZINC000408614857 572277964 /nfs/dbraw/zinc/27/79/64/572277964.db2.gz IXAHJOSFVYVANX-UHFFFAOYSA-N 0 0 537.638 3.881 40 30 KHEBRN CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccc(OC)c(OC)c3)o2)c(C#N)c1C ZINC000408638863 572295360 /nfs/dbraw/zinc/29/53/60/572295360.db2.gz UESRIIPGEULOQG-UHFFFAOYSA-N 0 0 502.574 3.827 40 30 KHEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc1Cl ZINC000408718998 1066558115 /nfs/dbraw/zinc/55/81/15/1066558115.db2.gz DUMIZNLNSQQEDM-GATIEOLUSA-N 0 0 546.813 3.773 40 30 KHEBRN COc1cc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408719066 1066558092 /nfs/dbraw/zinc/55/80/92/1066558092.db2.gz ANMUZAHVFFCBKH-MIXAMLLLSA-N 0 0 556.583 3.816 40 30 KHEBRN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)cc2)cc1 ZINC000408719174 1066558161 /nfs/dbraw/zinc/55/81/61/1066558161.db2.gz JLYOQMXLOCGNEQ-VEILYXNESA-N 0 0 526.557 3.807 40 30 KHEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3ccccc3[N+](=O)[O-])nc(N3CCOCC3)n2)cc1Cl ZINC000408719296 1066557985 /nfs/dbraw/zinc/55/79/85/1066557985.db2.gz KUNPISRPKIHUBL-WYMPLXKRSA-N 0 0 547.801 3.952 40 30 KHEBRN Cc1cc(Br)c(Nc2nc(NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCOCC3)n2)cc1Cl ZINC000408719471 1066558177 /nfs/dbraw/zinc/55/81/77/1066558177.db2.gz MPAKEGXOHSGJDE-MRUKODCESA-N 0 0 591.810 3.681 40 30 KHEBRN O=[N+]([O-])c1ccccc1-c1ccc(C=NN=c2[nH]c3nonc3nc2Nc2ccc(Br)cc2)o1 ZINC000408720782 1066557523 /nfs/dbraw/zinc/55/75/23/1066557523.db2.gz DCDARKWZLFVEMV-KSEXSDGBSA-N 0 0 521.291 3.977 40 30 KHEBRN Cc1ccc(NN=c2[nH]c3nonc3nc2NN=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408720838 1066558196 /nfs/dbraw/zinc/55/81/96/1066558196.db2.gz FJLRDUSTSIJXPQ-MYKKPKGFSA-N 0 0 505.882 3.872 40 30 KHEBRN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)cc1 ZINC000408720843 1066558104 /nfs/dbraw/zinc/55/81/04/1066558104.db2.gz FLTRJXBFAUDMEQ-KSEXSDGBSA-N 0 0 521.291 3.977 40 30 KHEBRN CCN(CC)c1ccc(CN=Nc2nc3nonc3nc2Nc2ccc(Br)cc2)c(OC)c1 ZINC000408720875 1066558002 /nfs/dbraw/zinc/55/80/02/1066558002.db2.gz GTNXJMLMUOJMLR-CFRMEGHHSA-N 0 0 511.384 3.664 40 30 KHEBRN CCOC(=O)c1ccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000408720882 1066558020 /nfs/dbraw/zinc/55/80/20/1066558020.db2.gz GYCSLCOIANNOEC-ZRGSRPPYSA-N 0 0 532.448 3.530 40 30 KHEBRN COc1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1Br ZINC000408721010 1066557614 /nfs/dbraw/zinc/55/76/14/1066557614.db2.gz IDOLAPDMOCEQTK-ZMOGYAJESA-N 0 0 502.348 3.808 40 30 KHEBRN COc1ccc(CN=Nc2nc3nonc3nc2Nc2ccc(Br)cc2)cc1Br ZINC000408721032 1066557688 /nfs/dbraw/zinc/55/76/88/1066557688.db2.gz IHVBAJLSOFGYIV-NKVSQWTQSA-N 0 0 519.157 3.580 40 30 KHEBRN O=[N+]([O-])c1ccc(-n2cccc2CN=Nc2nc3nonc3nc2Nc2ccc(Br)cc2)cc1 ZINC000408721039 1066557508 /nfs/dbraw/zinc/55/75/08/1066557508.db2.gz IRNZWKXUSOUSMG-FMCGGJTJSA-N 0 0 520.307 3.508 40 30 KHEBRN O=[N+]([O-])c1cccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c1 ZINC000408721195 1066557496 /nfs/dbraw/zinc/55/74/96/1066557496.db2.gz MARRSIGDQILWJW-KSEXSDGBSA-N 0 0 521.291 3.977 40 30 KHEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NN=c2[nH]c3nonc3nc2Nc2ccc(Br)cc2)o1 ZINC000408721242 1066557540 /nfs/dbraw/zinc/55/75/40/1066557540.db2.gz NHUYPQOPXGNZSE-MYKKPKGFSA-N 0 0 551.317 3.986 40 30 KHEBRN Cc1ccc(Nc2nc(NN=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000408721297 1066557667 /nfs/dbraw/zinc/55/76/67/1066557667.db2.gz OBLLFNHQBXSQIZ-WYMPLXKRSA-N 0 0 547.801 3.952 40 30 KHEBRN Cc1ccc(NN=c2[nH]c3nonc3nc2NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000408721311 1066557410 /nfs/dbraw/zinc/55/74/10/1066557410.db2.gz OLWCMWQRRQSQRB-MYKKPKGFSA-N 0 0 505.882 3.872 40 30 KHEBRN COc1ccc(-c2ccc(C=NN=c3[nH]c4nonc4nc3Nc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 ZINC000408721647 1066557654 /nfs/dbraw/zinc/55/76/54/1066557654.db2.gz WFPHNSHGOGFFSK-MYKKPKGFSA-N 0 0 551.317 3.986 40 30 KHEBRN CCOc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1 ZINC000408724100 1066556996 /nfs/dbraw/zinc/55/69/96/1066556996.db2.gz FFLAYGZBBOCTAR-TURZUDJPSA-N 0 0 503.607 3.732 40 30 KHEBRN O=C(Oc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408724153 1066555818 /nfs/dbraw/zinc/55/58/18/1066555818.db2.gz GNBUQNGIMDGWTN-YZSQISJMSA-N 0 0 502.535 3.645 40 30 KHEBRN O=C(Oc1cccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408724198 1066555842 /nfs/dbraw/zinc/55/58/42/1066555842.db2.gz HPDLTUUBLXHVHY-YZSQISJMSA-N 0 0 502.535 3.645 40 30 KHEBRN O=C(Oc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408724331 1066557023 /nfs/dbraw/zinc/55/70/23/1066557023.db2.gz BNXKZIXHYODJRI-WGOQTCKBSA-N 0 0 547.532 3.554 40 30 KHEBRN CCOc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000408724519 1066556784 /nfs/dbraw/zinc/55/67/84/1066556784.db2.gz LJRSJBLWVZJTSF-RDRPBHBLSA-N 0 0 554.051 3.622 40 30 KHEBRN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408724949 1066556814 /nfs/dbraw/zinc/55/68/14/1066556814.db2.gz CIINDTRPPBLUDS-WPWMEQJKSA-N 0 0 579.574 3.762 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1I ZINC000408725291 1066556876 /nfs/dbraw/zinc/55/68/76/1066556876.db2.gz DVBZCKNXHNWKCA-RDRPBHBLSA-N 0 0 643.486 3.977 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1Cl ZINC000408725332 1066556966 /nfs/dbraw/zinc/55/69/66/1066556966.db2.gz FJXOZRCZYLPZCF-OGLMXYFKSA-N 0 0 524.025 3.995 40 30 KHEBRN O=[N+]([O-])c1ccc(COc2ccccc2C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000408725774 1066556376 /nfs/dbraw/zinc/55/63/76/1066556376.db2.gz HNWQPWGWFZGKIZ-MTDXEUNCSA-N 0 0 526.557 3.807 40 30 KHEBRN O=C(Oc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1)c1ccccc1I ZINC000408725801 1066556402 /nfs/dbraw/zinc/55/64/02/1066556402.db2.gz ICZFJCROCPZZEZ-MTDXEUNCSA-N 0 0 613.460 3.968 40 30 KHEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)o1 ZINC000408725875 1066556316 /nfs/dbraw/zinc/55/63/16/1066556316.db2.gz JAKVIMHPTLNKRP-WGOQTCKBSA-N 0 0 500.519 3.796 40 30 KHEBRN O=C1C=CC(=NNc2cccc(Cl)c2)C=C1C=[NH+][N-]c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000408726152 1066556173 /nfs/dbraw/zinc/55/61/73/1066556173.db2.gz QGEXJMRBBIHLPJ-HTJVSNRESA-N 0 0 523.985 3.765 40 30 KHEBRN COc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408726215 1066555795 /nfs/dbraw/zinc/55/57/95/1066555795.db2.gz JZOGBYHVXMXLEB-OGLMXYFKSA-N 0 0 587.553 3.937 40 30 KHEBRN Cc1cc(-c2ccc(C=NNc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)o2)ccc1[N+](=O)[O-] ZINC000408726270 1066555616 /nfs/dbraw/zinc/55/56/16/1066555616.db2.gz KUBQNNPHXDCDDA-WGOQTCKBSA-N 0 0 500.519 3.796 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccc(F)cc1 ZINC000408726295 1066555751 /nfs/dbraw/zinc/55/57/51/1066555751.db2.gz RVDJYGXRVOAOLR-OGLMXYFKSA-N 0 0 505.554 3.885 40 30 KHEBRN O=C(Oc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1I ZINC000408726446 1066556336 /nfs/dbraw/zinc/55/63/36/1066556336.db2.gz MGZWWHKEDZLAGJ-MTDXEUNCSA-N 0 0 613.460 3.968 40 30 KHEBRN O=[N+]([O-])c1ccc(COc2ccccc2CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1 ZINC000408726576 1066556250 /nfs/dbraw/zinc/55/62/50/1066556250.db2.gz MVTORRAJAAYLKI-OVVQPSECSA-N 0 0 518.578 3.632 40 30 KHEBRN Cc1ccc(NN=C2C=CC(=O)C(C=[NH+][N-]c3nc(N4CCOCC4)nc(N4CCOCC4)n3)=C2)cc1C ZINC000408727471 1066562274 /nfs/dbraw/zinc/56/22/74/1066562274.db2.gz ZEAJBIISBGHHPZ-GADOICFASA-N 0 0 517.594 3.729 40 30 KHEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408727774 1066562098 /nfs/dbraw/zinc/56/20/98/1066562098.db2.gz XFVRGZQSWGTDDZ-AQIZGWBQSA-N 0 0 676.529 3.994 40 30 KHEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408727779 1066562103 /nfs/dbraw/zinc/56/21/03/1066562103.db2.gz XFVRGZQSWGTDDZ-ZDGAQAAHSA-N 0 0 676.529 3.994 40 30 KHEBRN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1 ZINC000408727834 1066562056 /nfs/dbraw/zinc/56/20/56/1066562056.db2.gz SIUMABZNQLFWHR-OGLMXYFKSA-N 0 0 524.025 3.995 40 30 KHEBRN O=C1C=CC(=NNc2ccccc2Cl)C=C1C=[NH+][N-]c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000408727881 1066562117 /nfs/dbraw/zinc/56/21/17/1066562117.db2.gz YNPQSWCIEJWRLM-HTJVSNRESA-N 0 0 523.985 3.765 40 30 KHEBRN C#CCOc1c(I)cc(I)cc1CN=Nc1nc2nonc2nc1Nc1ccc(I)cc1 ZINC000408729188 1066561588 /nfs/dbraw/zinc/56/15/88/1066561588.db2.gz AHCKEYKTZWUQMY-YSURURNPSA-N 0 0 763.075 3.872 40 30 KHEBRN O=[N+]([O-])c1cc(CN=Nc2nc3nonc3nc2Nc2ccc(I)cc2)c(Cl)cc1Cl ZINC000408729345 1066561720 /nfs/dbraw/zinc/56/17/20/1066561720.db2.gz AZJOVJZCEMZUGO-QPSGOUHRSA-N 0 0 571.122 3.866 40 30 KHEBRN COc1c(I)cc(I)cc1CN=Nc1nc(N2CCCC2)nc(N2CCCC2)n1 ZINC000408734277 1066559177 /nfs/dbraw/zinc/55/91/77/1066559177.db2.gz WAXLWUDQZQUOJX-UUYOSTAYSA-N 0 0 619.249 3.736 40 30 KHEBRN CNc1nc(NN=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)c(OC)c2)nc(Nc2ccccc2)n1 ZINC000408734726 1066558622 /nfs/dbraw/zinc/55/86/22/1066558622.db2.gz COWHXKWUNAQZGJ-RWPZCVJISA-N 0 0 511.502 3.527 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408737219 1066558663 /nfs/dbraw/zinc/55/86/63/1066558663.db2.gz ANNQEZHKWBHJEV-FCYPAOMHSA-N 0 0 534.634 3.770 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OCC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408737220 1066558505 /nfs/dbraw/zinc/55/85/05/1066558505.db2.gz ANNQEZHKWBHJEV-KDSDTBODSA-N 0 0 534.634 3.770 40 30 KHEBRN CNc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408741046 1066563991 /nfs/dbraw/zinc/56/39/91/1066563991.db2.gz JQQFOZHRHMRQFM-NGYBGAFCSA-N 0 0 523.072 3.687 40 30 KHEBRN CNc1c(I)cc(/C=N/N2C(=O)c3ccccc3C2=O)cc1I ZINC000408741347 1066564316 /nfs/dbraw/zinc/56/43/16/1066564316.db2.gz LLAXNZWJVFNSBV-DNTJNYDQSA-N 0 0 531.091 3.568 40 30 KHEBRN COc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408748986 1066567592 /nfs/dbraw/zinc/56/75/92/1066567592.db2.gz DEWHIXSODNRRFK-FMQZQXMHSA-N 0 0 524.056 3.654 40 30 KHEBRN N#CCOc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408750065 1066567550 /nfs/dbraw/zinc/56/75/50/1066567550.db2.gz KDQOYCCNZVYFBJ-GXHLCREISA-N 0 0 549.066 3.547 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000408750739 1066190728 /nfs/dbraw/zinc/19/07/28/1066190728.db2.gz RDXTWVSXNLTZOP-SCDVKCJHSA-N 0 0 502.119 3.903 40 30 KHEBRN N#CCOc1c(Br)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408750811 1066567578 /nfs/dbraw/zinc/56/75/78/1066567578.db2.gz RZLPLMGSIPBQFN-GXHLCREISA-N 0 0 502.066 3.705 40 30 KHEBRN CCOC(=O)COc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408750957 1066567415 /nfs/dbraw/zinc/56/74/15/1066567415.db2.gz UNBOWQVKYIHZIQ-SCDVKCJHSA-N 0 0 596.119 3.587 40 30 KHEBRN C#CCOc1c(Br)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408751092 1066567512 /nfs/dbraw/zinc/56/75/12/1066567512.db2.gz WJJGFXADHKNXTP-UWVJOHFNSA-N 0 0 501.078 3.815 40 30 KHEBRN C#CCOc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408751257 1066567466 /nfs/dbraw/zinc/56/74/66/1066567466.db2.gz YLLCWMNUKDPAEH-UWVJOHFNSA-N 0 0 548.078 3.657 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1I ZINC000408751436 1066567562 /nfs/dbraw/zinc/56/75/62/1066567562.db2.gz ZKDYRAREXSMQMC-SCDVKCJHSA-N 0 0 549.119 3.745 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 ZINC000408753730 1066566491 /nfs/dbraw/zinc/56/64/91/1066566491.db2.gz HOCQAEYDRZERSV-LPYMAVHISA-N 0 0 554.400 3.746 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)cc1 ZINC000408754249 1066566395 /nfs/dbraw/zinc/56/63/95/1066566395.db2.gz JLKCJHJUXVOQNQ-ZVHZXABRSA-N 0 0 549.390 3.930 40 30 KHEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408755105 1066565852 /nfs/dbraw/zinc/56/58/52/1066565852.db2.gz YPKJNLBDHHOMRU-FBHQFGEZSA-N 0 0 555.450 3.744 40 30 KHEBRN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408755108 1066565824 /nfs/dbraw/zinc/56/58/24/1066565824.db2.gz YPKJNLBDHHOMRU-PZHBDVNGSA-N 0 0 555.450 3.744 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3I)cc2)cc1 ZINC000408756935 1066565331 /nfs/dbraw/zinc/56/53/31/1066565331.db2.gz YJEUGUCZXRPXJV-ZVHZXABRSA-N 0 0 549.390 3.930 40 30 KHEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408757476 1066568927 /nfs/dbraw/zinc/56/89/27/1066568927.db2.gz XQVKLJDREWJPCL-CIAFOILYSA-N 0 0 517.432 3.634 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000408758379 1066568394 /nfs/dbraw/zinc/56/83/94/1066568394.db2.gz JHQAMUABBINLID-LPYMAVHISA-N 0 0 554.400 3.746 40 30 KHEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(I)c1OC(C)=O ZINC000408762041 1066570301 /nfs/dbraw/zinc/57/03/01/1066570301.db2.gz CFHUHIOBSIKPDA-DJKKODMXSA-N 0 0 514.232 3.878 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408763349 1066570586 /nfs/dbraw/zinc/57/05/86/1066570586.db2.gz PEYJCXDWRJUEMN-YDZHTSKRSA-N 0 0 584.426 3.754 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408764528 1066570574 /nfs/dbraw/zinc/57/05/74/1066570574.db2.gz JCIPCHMJDNFSEQ-LPYMAVHISA-N 0 0 554.400 3.746 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408765062 1066569885 /nfs/dbraw/zinc/56/98/85/1066569885.db2.gz BIEHAWKXBLKHRU-CNSVBDKNSA-N 0 0 543.464 3.634 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408765071 1066569863 /nfs/dbraw/zinc/56/98/63/1066569863.db2.gz BIEHAWKXBLKHRU-FNGUVFISSA-N 0 0 543.464 3.634 40 30 KHEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)c1 ZINC000408766277 1066569425 /nfs/dbraw/zinc/56/94/25/1066569425.db2.gz BITPKMPUEQHMGP-ASZNLBCTSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)c1 ZINC000408766280 1066569471 /nfs/dbraw/zinc/56/94/71/1066569471.db2.gz BITPKMPUEQHMGP-YNMQQHPQSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000408766774 1066568821 /nfs/dbraw/zinc/56/88/21/1066568821.db2.gz RQSHGRIUUHRRGV-YDZHTSKRSA-N 0 0 584.426 3.754 40 30 KHEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408766884 1066211173 /nfs/dbraw/zinc/21/11/73/1066211173.db2.gz UEENMGIBOQXBPR-CIAFOILYSA-N 0 0 517.432 3.634 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408767284 1066570971 /nfs/dbraw/zinc/57/09/71/1066570971.db2.gz FNQWKFMCEDCGGI-PLQXQRLBSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408767286 1066571137 /nfs/dbraw/zinc/57/11/37/1066571137.db2.gz FNQWKFMCEDCGGI-VVNKCDPRSA-N 0 0 627.513 3.599 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408767434 1066574904 /nfs/dbraw/zinc/57/49/04/1066574904.db2.gz XOBXKWNTSKMKQC-ZVHZXABRSA-N 0 0 600.456 3.997 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408767673 1066575082 /nfs/dbraw/zinc/57/50/82/1066575082.db2.gz GEMZLYDGNGJILX-FQWPPLDYSA-N 0 0 510.637 3.823 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408767678 1066574970 /nfs/dbraw/zinc/57/49/70/1066574970.db2.gz GEMZLYDGNGJILX-RNHBDSLOSA-N 0 0 510.637 3.823 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769007 1066211060 /nfs/dbraw/zinc/21/10/60/1066211060.db2.gz KWXZNHMHVCOGJB-CNSVBDKNSA-N 0 0 573.490 3.643 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769008 1066573885 /nfs/dbraw/zinc/57/38/85/1066573885.db2.gz KWXZNHMHVCOGJB-FNGUVFISSA-N 0 0 573.490 3.643 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769279 1066573425 /nfs/dbraw/zinc/57/34/25/1066573425.db2.gz MJQSLDOAGDRPHR-NFYDWNOTSA-N 0 0 642.528 3.879 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769280 1066573544 /nfs/dbraw/zinc/57/35/44/1066573544.db2.gz MJQSLDOAGDRPHR-ZFWDJNJRSA-N 0 0 642.528 3.879 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408769292 1066573901 /nfs/dbraw/zinc/57/39/01/1066573901.db2.gz MMJQOGAOIBHRDR-JKALPCAWSA-N 0 0 574.478 3.533 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408769295 1066211540 /nfs/dbraw/zinc/21/15/40/1066211540.db2.gz MMJQOGAOIBHRDR-SQWSFHKJSA-N 0 0 574.478 3.533 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769511 1066211596 /nfs/dbraw/zinc/21/15/96/1066211596.db2.gz NDTKIFAYOGNXEA-NFYDWNOTSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769512 1066573555 /nfs/dbraw/zinc/57/35/55/1066573555.db2.gz NDTKIFAYOGNXEA-ZFWDJNJRSA-N 0 0 627.513 3.599 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@H]1c1cccs1 ZINC000408769751 1066211478 /nfs/dbraw/zinc/21/14/78/1066211478.db2.gz OLPBAPJKBPCJFE-DDYRAIOVSA-N 0 0 717.348 3.971 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OCC#N)c(=O)n2[C@@H]1c1cccs1 ZINC000408769752 1066211522 /nfs/dbraw/zinc/21/15/22/1066211522.db2.gz OLPBAPJKBPCJFE-WSDUQJHMSA-N 0 0 717.348 3.971 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408769841 1066573450 /nfs/dbraw/zinc/57/34/50/1066573450.db2.gz PRCODIRRARXELF-PLQXQRLBSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408769842 1066573534 /nfs/dbraw/zinc/57/35/34/1066573534.db2.gz PRCODIRRARXELF-VVNKCDPRSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408770075 1066211629 /nfs/dbraw/zinc/21/16/29/1066211629.db2.gz SJSDRTWBXSKDIE-PLQXQRLBSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408770076 1066571568 /nfs/dbraw/zinc/57/15/68/1066571568.db2.gz SJSDRTWBXSKDIE-VVNKCDPRSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408770111 1066211644 /nfs/dbraw/zinc/21/16/44/1066211644.db2.gz SWOPBRDHSZKLNT-IYVASWNSSA-N 0 0 641.540 3.989 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408770112 1066572970 /nfs/dbraw/zinc/57/29/70/1066572970.db2.gz SWOPBRDHSZKLNT-ORVZPOCUSA-N 0 0 641.540 3.989 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408770168 1066573016 /nfs/dbraw/zinc/57/30/16/1066573016.db2.gz UGEZNSFZQLOHTH-DPWKNNTCSA-N 0 0 717.348 3.971 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC#N)c(I)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408770169 1066573071 /nfs/dbraw/zinc/57/30/71/1066573071.db2.gz UGEZNSFZQLOHTH-XGHXRCDJSA-N 0 0 717.348 3.971 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408770280 1066573145 /nfs/dbraw/zinc/57/31/45/1066573145.db2.gz VPDFEKGFKWPSBZ-CNSVBDKNSA-N 0 0 529.039 3.534 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408770281 1066573025 /nfs/dbraw/zinc/57/30/25/1066573025.db2.gz VPDFEKGFKWPSBZ-FNGUVFISSA-N 0 0 529.039 3.534 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408770312 1066573058 /nfs/dbraw/zinc/57/30/58/1066573058.db2.gz WCBFGTBNSFHNRN-PLQXQRLBSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408770313 1066211548 /nfs/dbraw/zinc/21/15/48/1066211548.db2.gz WCBFGTBNSFHNRN-VVNKCDPRSA-N 0 0 597.487 3.590 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408770341 1066573091 /nfs/dbraw/zinc/57/30/91/1066573091.db2.gz WIWJCRCTAKMVLR-JKALPCAWSA-N 0 0 544.452 3.525 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408770342 1066573133 /nfs/dbraw/zinc/57/31/33/1066573133.db2.gz WIWJCRCTAKMVLR-SQWSFHKJSA-N 0 0 544.452 3.525 40 30 KHEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)c1 ZINC000408770861 1066210994 /nfs/dbraw/zinc/21/09/94/1066210994.db2.gz BOQBVRISVYAXJD-HPFVHPJRSA-N 0 0 536.613 3.785 40 30 KHEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)c1 ZINC000408770863 1066572697 /nfs/dbraw/zinc/57/26/97/1066572697.db2.gz BOQBVRISVYAXJD-WHNPURCTSA-N 0 0 536.613 3.785 40 30 KHEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)c1 ZINC000408770986 1066210906 /nfs/dbraw/zinc/21/09/06/1066210906.db2.gz DABXEUIIKIUZRG-CMISJSSVSA-N 0 0 536.613 3.785 40 30 KHEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)c1 ZINC000408770988 1066211004 /nfs/dbraw/zinc/21/10/04/1066211004.db2.gz DABXEUIIKIUZRG-DBXPASCUSA-N 0 0 536.613 3.785 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408771387 1066572736 /nfs/dbraw/zinc/57/27/36/1066572736.db2.gz GCJFSGAVOJNMAV-DLBLZJNESA-N 0 0 508.571 3.511 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408771389 1066211116 /nfs/dbraw/zinc/21/11/16/1066211116.db2.gz GCJFSGAVOJNMAV-FCKOQQNDSA-N 0 0 508.571 3.511 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cccc(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408775253 1066571960 /nfs/dbraw/zinc/57/19/60/1066571960.db2.gz RTGJWQYTDQQERP-QYTZQGLJSA-N 0 0 535.625 3.895 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cccc(OC)c1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000408775260 1066572134 /nfs/dbraw/zinc/57/21/34/1066572134.db2.gz RTGJWQYTDQQERP-RBRLEXCSSA-N 0 0 535.625 3.895 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408777895 1066576711 /nfs/dbraw/zinc/57/67/11/1066576711.db2.gz LHTDJSSEDDJLFL-HDFSHUSISA-N 0 0 565.651 3.903 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000408777896 1066576584 /nfs/dbraw/zinc/57/65/84/1066576584.db2.gz LHTDJSSEDDJLFL-LAUBZIAYSA-N 0 0 565.651 3.903 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408778755 1066576156 /nfs/dbraw/zinc/57/61/56/1066576156.db2.gz YJSFKCPBOGDBKZ-FHMSYZJOSA-N 0 0 535.625 3.895 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408778756 1066576044 /nfs/dbraw/zinc/57/60/44/1066576044.db2.gz YJSFKCPBOGDBKZ-OXWVMCNISA-N 0 0 535.625 3.895 40 30 KHEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCC#N)c(=O)n32)c1 ZINC000408780406 1066213466 /nfs/dbraw/zinc/21/34/66/1066213466.db2.gz CGCCIIMXMLUFJN-HPFVHPJRSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC)c4OCC#N)c(=O)n32)c1 ZINC000408780407 1066575649 /nfs/dbraw/zinc/57/56/49/1066575649.db2.gz CGCCIIMXMLUFJN-WHNPURCTSA-N 0 0 566.639 3.793 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cccc1OC ZINC000408784345 1066577516 /nfs/dbraw/zinc/57/75/16/1066577516.db2.gz QNRJQXPOSJRLET-QYTZQGLJSA-N 0 0 565.651 3.903 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cccc1OC ZINC000408784347 1066577799 /nfs/dbraw/zinc/57/77/99/1066577799.db2.gz QNRJQXPOSJRLET-RBRLEXCSSA-N 0 0 565.651 3.903 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408786033 1066214337 /nfs/dbraw/zinc/21/43/37/1066214337.db2.gz FISRTJOLUJHEIE-FHMSYZJOSA-N 0 0 535.625 3.895 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408786034 1066577273 /nfs/dbraw/zinc/57/72/73/1066577273.db2.gz FISRTJOLUJHEIE-OXWVMCNISA-N 0 0 535.625 3.895 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(OCC#N)c(OC)c1 ZINC000408787941 1066579110 /nfs/dbraw/zinc/57/91/10/1066579110.db2.gz HSYSODRVQRTVMW-IBGZPJMESA-N 0 0 542.329 3.944 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(OCC#N)c(OC)c1 ZINC000408787944 1066214255 /nfs/dbraw/zinc/21/42/55/1066214255.db2.gz HSYSODRVQRTVMW-LJQANCHMSA-N 0 0 542.329 3.944 40 30 KHEBRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC#N)c4)c(=O)n32)c1 ZINC000408789435 1066579174 /nfs/dbraw/zinc/57/91/74/1066579174.db2.gz JETAIIRAIJLDBS-CMISJSSVSA-N 0 0 536.613 3.785 40 30 KHEBRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC#N)c4)c(=O)n32)c1 ZINC000408789436 1066579096 /nfs/dbraw/zinc/57/90/96/1066579096.db2.gz JETAIIRAIJLDBS-DBXPASCUSA-N 0 0 536.613 3.785 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC#N)c(I)c1 ZINC000408790059 1066213606 /nfs/dbraw/zinc/21/36/06/1066213606.db2.gz MVXSQVWQGDIYQX-IBGZPJMESA-N 0 0 512.303 3.935 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC#N)c(I)c1 ZINC000408790060 1066579186 /nfs/dbraw/zinc/57/91/86/1066579186.db2.gz MVXSQVWQGDIYQX-LJQANCHMSA-N 0 0 512.303 3.935 40 30 KHEBRN COC(=O)COc1c(Br)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408790659 1066578764 /nfs/dbraw/zinc/57/87/64/1066578764.db2.gz XOWJLEHZKWANHD-FQEVSTJZSA-N 0 0 528.355 3.751 40 30 KHEBRN COC(=O)COc1c(Br)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408790661 1066578725 /nfs/dbraw/zinc/57/87/25/1066578725.db2.gz XOWJLEHZKWANHD-HXUWFJFHSA-N 0 0 528.355 3.751 40 30 KHEBRN CCOc1cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(I)c1OCC(=O)OC ZINC000408790855 1066578633 /nfs/dbraw/zinc/57/86/33/1066578633.db2.gz RPBWKOKNXJJJEO-NRFANRHFSA-N 0 0 589.382 3.983 40 30 KHEBRN CCOc1cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc(I)c1OCC(=O)OC ZINC000408790857 1066578867 /nfs/dbraw/zinc/57/88/67/1066578867.db2.gz RPBWKOKNXJJJEO-OAQYLSRUSA-N 0 0 589.382 3.983 40 30 KHEBRN COC(=O)COc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408790932 1066578713 /nfs/dbraw/zinc/57/87/13/1066578713.db2.gz ZLJSSYRTWGSXEO-FQEVSTJZSA-N 0 0 545.329 3.584 40 30 KHEBRN COC(=O)COc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408790933 1066578832 /nfs/dbraw/zinc/57/88/32/1066578832.db2.gz ZLJSSYRTWGSXEO-HXUWFJFHSA-N 0 0 545.329 3.584 40 30 KHEBRN COC(=O)COc1cc(Br)c([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408793328 1066578600 /nfs/dbraw/zinc/57/86/00/1066578600.db2.gz DPVAQIVXCCJCSD-NRFANRHFSA-N 0 0 528.355 3.751 40 30 KHEBRN COC(=O)COc1cc(Br)c([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408793332 1066578701 /nfs/dbraw/zinc/57/87/01/1066578701.db2.gz DPVAQIVXCCJCSD-OAQYLSRUSA-N 0 0 528.355 3.751 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(I)c(O)c(OC)c1 ZINC000408794373 1066578344 /nfs/dbraw/zinc/57/83/44/1066578344.db2.gz IDMOMNDCSONFAX-KRWDZBQOSA-N 0 0 503.292 3.747 40 30 KHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(I)c(O)c(OC)c1 ZINC000408794378 1066578186 /nfs/dbraw/zinc/57/81/86/1066578186.db2.gz IDMOMNDCSONFAX-QGZVFWFLSA-N 0 0 503.292 3.747 40 30 KHEBRN CCOC(=O)COc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408796035 1066578363 /nfs/dbraw/zinc/57/83/63/1066578363.db2.gz OCBGXDANPXNJLS-NRFANRHFSA-N 0 0 559.356 3.975 40 30 KHEBRN CCOC(=O)COc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1I ZINC000408796114 1066578313 /nfs/dbraw/zinc/57/83/13/1066578313.db2.gz OCBGXDANPXNJLS-OAQYLSRUSA-N 0 0 559.356 3.975 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408797999 1066214585 /nfs/dbraw/zinc/21/45/85/1066214585.db2.gz DGOWVKOBCKIMGY-CVGPFBNFSA-N 0 0 555.425 3.712 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408798003 1066214372 /nfs/dbraw/zinc/21/43/72/1066214372.db2.gz DGOWVKOBCKIMGY-LJJBLSSYSA-N 0 0 555.425 3.712 40 30 KHEBRN COC(=O)COc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408798297 1066580913 /nfs/dbraw/zinc/58/09/13/1066580913.db2.gz VYINIHBFEDOYPS-FQEVSTJZSA-N 0 0 575.355 3.593 40 30 KHEBRN COC(=O)COc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408798299 1066580924 /nfs/dbraw/zinc/58/09/24/1066580924.db2.gz VYINIHBFEDOYPS-HXUWFJFHSA-N 0 0 575.355 3.593 40 30 KHEBRN CCOC(=O)COc1c(I)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408799065 1066214478 /nfs/dbraw/zinc/21/44/78/1066214478.db2.gz XXHYZJPDRGCCNN-NRFANRHFSA-N 0 0 589.382 3.983 40 30 KHEBRN CCOC(=O)COc1c(I)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1OC ZINC000408799071 1066581028 /nfs/dbraw/zinc/58/10/28/1066581028.db2.gz XXHYZJPDRGCCNN-OAQYLSRUSA-N 0 0 589.382 3.983 40 30 KHEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408800642 1066215079 /nfs/dbraw/zinc/21/50/79/1066215079.db2.gz QINBNNKUNTXGQY-CVGPFBNFSA-N 0 0 510.974 3.603 40 30 KHEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408800645 1066581037 /nfs/dbraw/zinc/58/10/37/1066581037.db2.gz QINBNNKUNTXGQY-LJJBLSSYSA-N 0 0 510.974 3.603 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408801914 1066580401 /nfs/dbraw/zinc/58/04/01/1066580401.db2.gz WTBCBQQWWGJSRA-CVGPFBNFSA-N 0 0 632.451 3.563 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408801916 1066580598 /nfs/dbraw/zinc/58/05/98/1066580598.db2.gz WTBCBQQWWGJSRA-LJJBLSSYSA-N 0 0 632.451 3.563 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408803849 1066579895 /nfs/dbraw/zinc/57/98/95/1066579895.db2.gz AZGPNTYCWJVNIR-QKSFETHESA-N 0 0 522.598 3.901 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408803851 1066579733 /nfs/dbraw/zinc/57/97/33/1066579733.db2.gz AZGPNTYCWJVNIR-ZDQFFALBSA-N 0 0 522.598 3.901 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408804765 1066214999 /nfs/dbraw/zinc/21/49/99/1066214999.db2.gz BGBCMKOJXCZTJJ-HCWVEKLQSA-N 0 0 569.614 3.986 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408804766 1066579870 /nfs/dbraw/zinc/57/98/70/1066579870.db2.gz BGBCMKOJXCZTJJ-UXAZKMGBSA-N 0 0 569.614 3.986 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408806525 1066215203 /nfs/dbraw/zinc/21/52/03/1066215203.db2.gz BCHAYGLNNYHOPR-GJFKPFFXSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408806528 1066215218 /nfs/dbraw/zinc/21/52/18/1066215218.db2.gz BCHAYGLNNYHOPR-LWUPDDLQSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408807154 1066579135 /nfs/dbraw/zinc/57/91/35/1066579135.db2.gz CGNLXMMONYEPRM-FOOJEKODSA-N 0 0 537.037 3.862 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408807165 1066579242 /nfs/dbraw/zinc/57/92/42/1066579242.db2.gz CGNLXMMONYEPRM-FVIVVMBBSA-N 0 0 537.037 3.862 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408807783 1066215790 /nfs/dbraw/zinc/21/57/90/1066215790.db2.gz HQFCQZGWOSLCCS-VLOXRPPESA-N 0 0 541.988 3.502 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408807786 1066215860 /nfs/dbraw/zinc/21/58/60/1066215860.db2.gz HQFCQZGWOSLCCS-WLJFKGHSSA-N 0 0 541.988 3.502 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408810158 1066582661 /nfs/dbraw/zinc/58/26/61/1066582661.db2.gz JABGPQBIDYXDRE-FQWPPLDYSA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408810167 1066582712 /nfs/dbraw/zinc/58/27/12/1066582712.db2.gz JABGPQBIDYXDRE-RNHBDSLOSA-N 0 0 567.461 3.581 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408810727 1066582138 /nfs/dbraw/zinc/58/21/38/1066582138.db2.gz PYMDGKNIQKROLH-HCWVEKLQSA-N 0 0 539.588 3.977 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408810734 1066582765 /nfs/dbraw/zinc/58/27/65/1066582765.db2.gz PYMDGKNIQKROLH-UXAZKMGBSA-N 0 0 539.588 3.977 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408811067 1066582176 /nfs/dbraw/zinc/58/21/76/1066582176.db2.gz QMIYEPPSGTWQCW-VLOXRPPESA-N 0 0 556.413 3.602 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408811075 1066215805 /nfs/dbraw/zinc/21/58/05/1066215805.db2.gz QMIYEPPSGTWQCW-WLJFKGHSSA-N 0 0 556.413 3.602 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1OC ZINC000408812592 1066582166 /nfs/dbraw/zinc/58/21/66/1066582166.db2.gz NEOSXNJNZRJASU-FHMSYZJOSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1OC ZINC000408812600 1066582028 /nfs/dbraw/zinc/58/20/28/1066582028.db2.gz NEOSXNJNZRJASU-OXWVMCNISA-N 0 0 566.639 3.793 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408812847 1066581992 /nfs/dbraw/zinc/58/19/92/1066581992.db2.gz UAHXXUMEVNYZQA-CVGPFBNFSA-N 0 0 585.451 3.721 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408812852 1066582155 /nfs/dbraw/zinc/58/21/55/1066582155.db2.gz UAHXXUMEVNYZQA-LJJBLSSYSA-N 0 0 585.451 3.721 40 30 KHEBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccccc3OCC#N)sc2=N1 ZINC000408813874 1066216460 /nfs/dbraw/zinc/21/64/60/1066216460.db2.gz DWEQYANAARFQSF-MBXGISOLSA-N 0 0 506.587 3.776 40 30 KHEBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccccc3OCC#N)sc2=N1 ZINC000408813880 1066582193 /nfs/dbraw/zinc/58/21/93/1066582193.db2.gz DWEQYANAARFQSF-OKGRRGNVSA-N 0 0 506.587 3.776 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2 ZINC000408814258 1066581511 /nfs/dbraw/zinc/58/15/11/1066581511.db2.gz SHMYARUNOIFWSG-HPFVHPJRSA-N 0 0 508.599 3.964 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2 ZINC000408814260 1066581500 /nfs/dbraw/zinc/58/15/00/1066581500.db2.gz SHMYARUNOIFWSG-WHNPURCTSA-N 0 0 508.599 3.964 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408814920 1066216315 /nfs/dbraw/zinc/21/63/15/1066216315.db2.gz GUXHHASIMZODOQ-GBIJUZDQSA-N 0 0 581.650 3.855 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408814921 1066581400 /nfs/dbraw/zinc/58/14/00/1066581400.db2.gz GUXHHASIMZODOQ-JQTKYWOZSA-N 0 0 581.650 3.855 40 30 KHEBRN COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc(OC)c1OC ZINC000408815056 1066581488 /nfs/dbraw/zinc/58/14/88/1066581488.db2.gz RJWKRKCIFLJRGA-FHMSYZJOSA-N 0 0 596.665 3.802 40 30 KHEBRN COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc(OC)c1OC ZINC000408815059 1066581584 /nfs/dbraw/zinc/58/15/84/1066581584.db2.gz RJWKRKCIFLJRGA-OXWVMCNISA-N 0 0 596.665 3.802 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408815131 1066581384 /nfs/dbraw/zinc/58/13/84/1066581384.db2.gz QKAXLNSJTZMCAI-FQWPPLDYSA-N 0 0 508.571 3.511 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408815136 1066581459 /nfs/dbraw/zinc/58/14/59/1066581459.db2.gz QKAXLNSJTZMCAI-RNHBDSLOSA-N 0 0 508.571 3.511 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408816358 1066581536 /nfs/dbraw/zinc/58/15/36/1066581536.db2.gz LFOWLNFSJJSXKF-CBYYHRJHSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408816361 1066190840 /nfs/dbraw/zinc/19/08/40/1066190840.db2.gz LFOWLNFSJJSXKF-PNZYDNNZSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408816861 1066581648 /nfs/dbraw/zinc/58/16/48/1066581648.db2.gz MJAAXSZLCVREGK-CVGPFBNFSA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408816865 1066581566 /nfs/dbraw/zinc/58/15/66/1066581566.db2.gz MJAAXSZLCVREGK-LJJBLSSYSA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408817149 1066581051 /nfs/dbraw/zinc/58/10/51/1066581051.db2.gz MUTMYSCMDLAJOJ-CBYYHRJHSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408817157 1066581031 /nfs/dbraw/zinc/58/10/31/1066581031.db2.gz MUTMYSCMDLAJOJ-PNZYDNNZSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2 ZINC000408818079 1066585523 /nfs/dbraw/zinc/58/55/23/1066585523.db2.gz ZFGRTIMDQILJJE-FQWPPLDYSA-N 0 0 537.435 3.573 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OCC)=C(C)N=2 ZINC000408818083 1066216351 /nfs/dbraw/zinc/21/63/51/1066216351.db2.gz ZFGRTIMDQILJJE-RNHBDSLOSA-N 0 0 537.435 3.573 40 30 KHEBRN CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)ccc1O ZINC000408818219 1066585102 /nfs/dbraw/zinc/58/51/02/1066585102.db2.gz PFENVHXTHBVAPH-FHMSYZJOSA-N 0 0 566.639 3.881 40 30 KHEBRN CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)ccc1O ZINC000408818230 1066585545 /nfs/dbraw/zinc/58/55/45/1066585545.db2.gz PFENVHXTHBVAPH-OXWVMCNISA-N 0 0 566.639 3.881 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408818363 1066585098 /nfs/dbraw/zinc/58/50/98/1066585098.db2.gz PNCAADSDHCFKAW-QARYAGPDSA-N 0 0 627.115 3.888 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408818367 1066585144 /nfs/dbraw/zinc/58/51/44/1066585144.db2.gz PNCAADSDHCFKAW-ZSJKCPIUSA-N 0 0 627.115 3.888 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408819269 1066585123 /nfs/dbraw/zinc/58/51/23/1066585123.db2.gz PPRYAXGJBQNUBL-CBYYHRJHSA-N 0 0 657.539 3.607 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408819270 1066585116 /nfs/dbraw/zinc/58/51/16/1066585116.db2.gz PPRYAXGJBQNUBL-PNZYDNNZSA-N 0 0 657.539 3.607 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(I)cc2)cc1OCC ZINC000408819434 1066216956 /nfs/dbraw/zinc/21/69/56/1066216956.db2.gz QUMDZABMYOJRSY-CIAFOILYSA-N 0 0 518.760 3.668 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408819692 1066585127 /nfs/dbraw/zinc/58/51/27/1066585127.db2.gz RGHLBPXGOPWNIP-HDFSHUSISA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408819693 1066217229 /nfs/dbraw/zinc/21/72/29/1066217229.db2.gz RGHLBPXGOPWNIP-LAUBZIAYSA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408819774 1066585168 /nfs/dbraw/zinc/58/51/68/1066585168.db2.gz SXRGJBCSQORKRG-HDFSHUSISA-N 0 0 598.677 3.989 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408819776 1066585136 /nfs/dbraw/zinc/58/51/36/1066585136.db2.gz SXRGJBCSQORKRG-LAUBZIAYSA-N 0 0 598.677 3.989 40 30 KHEBRN C#CCOc1c(Br)cc([C@@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OCC)cc1OC ZINC000408820381 1066217055 /nfs/dbraw/zinc/21/70/55/1066217055.db2.gz XMDWKGBFMSAAEH-FQEVSTJZSA-N 0 0 501.402 3.963 40 30 KHEBRN C#CCOc1c(Br)cc([C@H]2NC(=S)N=C(c3ccccc3)C2C(=O)OCC)cc1OC ZINC000408820382 1066585198 /nfs/dbraw/zinc/58/51/98/1066585198.db2.gz XMDWKGBFMSAAEH-HXUWFJFHSA-N 0 0 501.402 3.963 40 30 KHEBRN C=CCOc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccc(I)cc1 ZINC000408820565 1066216947 /nfs/dbraw/zinc/21/69/47/1066216947.db2.gz YQLXKRAUCZWRFN-YBFXNURJSA-N 0 0 521.174 3.931 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408820630 1066585089 /nfs/dbraw/zinc/58/50/89/1066585089.db2.gz YYZUVLFTQFUNJV-GJFKPFFXSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408820632 1066585204 /nfs/dbraw/zinc/58/52/04/1066585204.db2.gz YYZUVLFTQFUNJV-LWUPDDLQSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1I ZINC000408820754 1066585110 /nfs/dbraw/zinc/58/51/10/1066585110.db2.gz ZPPLJNHTAMALDV-XFFZJAGNSA-N 0 0 525.105 3.574 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408820887 1066216990 /nfs/dbraw/zinc/21/69/90/1066216990.db2.gz AEWWDGWBFIRBET-PLQXQRLBSA-N 0 0 657.539 3.607 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408820888 1066584584 /nfs/dbraw/zinc/58/45/84/1066584584.db2.gz AEWWDGWBFIRBET-VVNKCDPRSA-N 0 0 657.539 3.607 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408821897 1066584691 /nfs/dbraw/zinc/58/46/91/1066584691.db2.gz AFKSBOAYXZYHLX-IGSWSUAKSA-N 0 0 517.010 3.930 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408821898 1066584623 /nfs/dbraw/zinc/58/46/23/1066584623.db2.gz AFKSBOAYXZYHLX-YMSBRDKKSA-N 0 0 517.010 3.930 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408821904 1066217013 /nfs/dbraw/zinc/21/70/13/1066217013.db2.gz AHFCAXOUEDMEQC-IVNHJSRESA-N 0 0 534.634 3.770 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408821905 1066584578 /nfs/dbraw/zinc/58/45/78/1066584578.db2.gz AHFCAXOUEDMEQC-PBMMVTTKSA-N 0 0 534.634 3.770 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408822406 1066216339 /nfs/dbraw/zinc/21/63/39/1066216339.db2.gz BJBMQDFSJLYUOL-CVGPFBNFSA-N 0 0 507.999 3.663 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408822407 1066216517 /nfs/dbraw/zinc/21/65/17/1066216517.db2.gz BJBMQDFSJLYUOL-LJJBLSSYSA-N 0 0 507.999 3.663 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408822858 1066584172 /nfs/dbraw/zinc/58/41/72/1066584172.db2.gz CFXQWDVWTXLGJB-IGSWSUAKSA-N 0 0 581.488 3.890 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408822860 1066584187 /nfs/dbraw/zinc/58/41/87/1066584187.db2.gz CFXQWDVWTXLGJB-YMSBRDKKSA-N 0 0 581.488 3.890 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408822919 1066584267 /nfs/dbraw/zinc/58/42/67/1066584267.db2.gz CPIQDNZOCWCEGI-NLZIUFDSSA-N 0 0 628.488 3.732 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408822921 1066584245 /nfs/dbraw/zinc/58/42/45/1066584245.db2.gz CPIQDNZOCWCEGI-WLGHQHAYSA-N 0 0 628.488 3.732 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823118 1066584068 /nfs/dbraw/zinc/58/40/68/1066584068.db2.gz DRTWHPXUMJCEGF-XOYGFPHKSA-N 0 0 552.450 3.772 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823120 1066584059 /nfs/dbraw/zinc/58/40/59/1066584059.db2.gz DRTWHPXUMJCEGF-YJADQXIJSA-N 0 0 552.450 3.772 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823260 1066216414 /nfs/dbraw/zinc/21/64/14/1066216414.db2.gz DOWUCHSRHIVDRG-NLZIUFDSSA-N 0 0 581.488 3.890 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823262 1066216535 /nfs/dbraw/zinc/21/65/35/1066216535.db2.gz DOWUCHSRHIVDRG-WLGHQHAYSA-N 0 0 581.488 3.890 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408823303 1066584132 /nfs/dbraw/zinc/58/41/32/1066584132.db2.gz DUGQNOCAJLOVLU-IGSWSUAKSA-N 0 0 612.502 3.870 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408823305 1066584018 /nfs/dbraw/zinc/58/40/18/1066584018.db2.gz DUGQNOCAJLOVLU-YMSBRDKKSA-N 0 0 612.502 3.870 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408823429 1066216403 /nfs/dbraw/zinc/21/64/03/1066216403.db2.gz FIAXZUKIAXEIFA-GTWFGUSFSA-N 0 0 526.618 3.675 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408823432 1066216602 /nfs/dbraw/zinc/21/66/02/1066216602.db2.gz FIAXZUKIAXEIFA-SJJVXOANSA-N 0 0 526.618 3.675 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408823743 1066583662 /nfs/dbraw/zinc/58/36/62/1066583662.db2.gz ORYCFBKJWKZTKF-ASSGYOTOSA-N 0 0 516.619 3.517 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408823745 1066583743 /nfs/dbraw/zinc/58/37/43/1066583743.db2.gz ORYCFBKJWKZTKF-OGRZUZBBSA-N 0 0 516.619 3.517 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408823772 1066216375 /nfs/dbraw/zinc/21/63/75/1066216375.db2.gz OUYBODAJBAJXPP-CMISJSSVSA-N 0 0 540.645 3.984 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408823774 1066216586 /nfs/dbraw/zinc/21/65/86/1066216586.db2.gz OUYBODAJBAJXPP-DBXPASCUSA-N 0 0 540.645 3.984 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824554 1066583229 /nfs/dbraw/zinc/58/32/29/1066583229.db2.gz IFRPCLKZQVHSOM-QCHPHUCNSA-N 0 0 582.476 3.780 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824555 1066583110 /nfs/dbraw/zinc/58/31/10/1066583110.db2.gz IFRPCLKZQVHSOM-VZIOXZNFSA-N 0 0 582.476 3.780 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824671 1066583187 /nfs/dbraw/zinc/58/31/87/1066583187.db2.gz IWNBLHIQCAFIPO-GTWFGUSFSA-N 0 0 510.619 3.893 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824674 1066218435 /nfs/dbraw/zinc/21/84/35/1066218435.db2.gz IWNBLHIQCAFIPO-SJJVXOANSA-N 0 0 510.619 3.893 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408824757 1066218292 /nfs/dbraw/zinc/21/82/92/1066218292.db2.gz JFTSBGYLJGUWKH-DLBLZJNESA-N 0 0 538.025 3.753 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408824759 1066583328 /nfs/dbraw/zinc/58/33/28/1066583328.db2.gz JFTSBGYLJGUWKH-FCKOQQNDSA-N 0 0 538.025 3.753 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824782 1066583306 /nfs/dbraw/zinc/58/33/06/1066583306.db2.gz HRPOYMLXOPRXBW-VLOXRPPESA-N 0 0 597.447 3.680 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824785 1066583318 /nfs/dbraw/zinc/58/33/18/1066583318.db2.gz HRPOYMLXOPRXBW-WLJFKGHSSA-N 0 0 597.447 3.680 40 30 KHEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(OCC#N)cc3OCC#N)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408825391 1066585885 /nfs/dbraw/zinc/58/58/85/1066585885.db2.gz AIUODTHCWRGNLP-IMEWXKHHSA-N 0 0 602.978 3.799 40 30 KHEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc(OCC#N)cc3OCC#N)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408825400 1066585896 /nfs/dbraw/zinc/58/58/96/1066585896.db2.gz AIUODTHCWRGNLP-WVWKGNOCSA-N 0 0 602.978 3.799 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408825422 1066586547 /nfs/dbraw/zinc/58/65/47/1066586547.db2.gz JVHUDZWCCGWJLS-IGSWSUAKSA-N 0 0 628.488 3.732 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408825426 1066586520 /nfs/dbraw/zinc/58/65/20/1066586520.db2.gz JVHUDZWCCGWJLS-YMSBRDKKSA-N 0 0 628.488 3.732 40 30 KHEBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C=C3C(=O)C(C(=O)OC)=C(C)N3c3ccc(C)cc3)o2)cc1 ZINC000408825479 1066585621 /nfs/dbraw/zinc/58/56/21/1066585621.db2.gz DLAGBPBDLJJMHC-PCLIKHOPSA-N 0 0 571.586 3.897 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408826078 1066190717 /nfs/dbraw/zinc/19/07/17/1066190717.db2.gz SQMLCDWWLLFSEH-GJFKPFFXSA-N 0 0 611.514 3.980 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408826080 1066585937 /nfs/dbraw/zinc/58/59/37/1066585937.db2.gz SQMLCDWWLLFSEH-LWUPDDLQSA-N 0 0 611.514 3.980 40 30 KHEBRN C#CCOc1cc(Br)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408826508 1066585995 /nfs/dbraw/zinc/58/59/95/1066585995.db2.gz JORCQIROMXLCOD-AQIZGWBQSA-N 0 0 581.488 3.890 40 30 KHEBRN C#CCOc1cc(Br)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408826512 1066217684 /nfs/dbraw/zinc/21/76/84/1066217684.db2.gz JORCQIROMXLCOD-ZDGAQAAHSA-N 0 0 581.488 3.890 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826803 1066585947 /nfs/dbraw/zinc/58/59/47/1066585947.db2.gz LJRPLPLKBUTEJZ-QKSFETHESA-N 0 0 581.488 3.972 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408826810 1066585984 /nfs/dbraw/zinc/58/59/84/1066585984.db2.gz LJRPLPLKBUTEJZ-ZDQFFALBSA-N 0 0 581.488 3.972 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408827587 1066591260 /nfs/dbraw/zinc/59/12/60/1066591260.db2.gz LIICIFDORQAUGT-DLBLZJNESA-N 0 0 626.485 3.880 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408827588 1066217859 /nfs/dbraw/zinc/21/78/59/1066217859.db2.gz LIICIFDORQAUGT-FCKOQQNDSA-N 0 0 626.485 3.880 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC#N)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408827594 1066591291 /nfs/dbraw/zinc/59/12/91/1066591291.db2.gz LKQIWLWWHCIYGP-JGTYQCAFSA-N 0 0 582.476 3.780 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC#N)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408827596 1066591402 /nfs/dbraw/zinc/59/14/02/1066591402.db2.gz LKQIWLWWHCIYGP-LYRGBEMXSA-N 0 0 582.476 3.780 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OC ZINC000408828417 1066590852 /nfs/dbraw/zinc/59/08/52/1066590852.db2.gz DXBCNGFMPDFLOH-OWXSRONMSA-N 0 0 518.635 3.852 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1OC ZINC000408828419 1066590901 /nfs/dbraw/zinc/59/09/01/1066590901.db2.gz DXBCNGFMPDFLOH-ZMIGGIFCSA-N 0 0 518.635 3.852 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408828738 1066590869 /nfs/dbraw/zinc/59/08/69/1066590869.db2.gz NVUOOLDKHOZUCQ-AFHVAHMMSA-N 0 0 649.894 3.967 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408828742 1066590838 /nfs/dbraw/zinc/59/08/38/1066590838.db2.gz NVUOOLDKHOZUCQ-ZRELAVNMSA-N 0 0 649.894 3.967 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408828804 1066218363 /nfs/dbraw/zinc/21/83/63/1066218363.db2.gz OBDBXOLRPSIBKI-ABBNRAPFSA-N 0 0 561.660 3.887 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408828814 1066590800 /nfs/dbraw/zinc/59/08/00/1066590800.db2.gz OBDBXOLRPSIBKI-CSJROMOCSA-N 0 0 561.660 3.887 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408828938 1066218421 /nfs/dbraw/zinc/21/84/21/1066218421.db2.gz OGIMLGYOYHJXTK-FOOJEKODSA-N 0 0 504.608 3.680 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408828944 1066590891 /nfs/dbraw/zinc/59/08/91/1066590891.db2.gz OGIMLGYOYHJXTK-FVIVVMBBSA-N 0 0 504.608 3.680 40 30 KHEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408828956 1066590441 /nfs/dbraw/zinc/59/04/41/1066590441.db2.gz WRAFAJISRLGAKH-QKSFETHESA-N 0 0 537.037 3.862 40 30 KHEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408828961 1066590394 /nfs/dbraw/zinc/59/03/94/1066590394.db2.gz WRAFAJISRLGAKH-ZDQFFALBSA-N 0 0 537.037 3.862 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408830251 1066586994 /nfs/dbraw/zinc/58/69/94/1066586994.db2.gz NTEGCCLCALZFDL-GJFKPFFXSA-N 0 0 658.514 3.822 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408830253 1066586951 /nfs/dbraw/zinc/58/69/51/1066586951.db2.gz NTEGCCLCALZFDL-LWUPDDLQSA-N 0 0 658.514 3.822 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000408830611 1066589991 /nfs/dbraw/zinc/58/99/91/1066589991.db2.gz OMVMPKAQSBBXGW-OWXSRONMSA-N 0 0 518.635 3.940 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000408830618 1066590081 /nfs/dbraw/zinc/59/00/81/1066590081.db2.gz OMVMPKAQSBBXGW-ZMIGGIFCSA-N 0 0 518.635 3.940 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408830976 1066218884 /nfs/dbraw/zinc/21/88/84/1066218884.db2.gz ZDPKPEDETHBPGP-QCHPHUCNSA-N 0 0 629.476 3.622 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408830981 1066589503 /nfs/dbraw/zinc/58/95/03/1066589503.db2.gz ZDPKPEDETHBPGP-VZIOXZNFSA-N 0 0 629.476 3.622 40 30 KHEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C1=O ZINC000408831015 1066589479 /nfs/dbraw/zinc/58/94/79/1066589479.db2.gz PFILHDLIEGZSSI-OEAKJJBVSA-N 0 0 517.513 3.859 40 30 KHEBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C=C3C(=O)C(C(=O)OC)=C(C)N3c3ccccc3)o2)cc1 ZINC000408831084 1066218817 /nfs/dbraw/zinc/21/88/17/1066218817.db2.gz PRWJKXYQKJMPIN-LFVJCYFKSA-N 0 0 557.559 3.588 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408831269 1066218792 /nfs/dbraw/zinc/21/87/92/1066218792.db2.gz QLSIBCQJZXSYLM-DLBLZJNESA-N 0 0 551.462 3.881 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408831271 1066589519 /nfs/dbraw/zinc/58/95/19/1066589519.db2.gz QLSIBCQJZXSYLM-FCKOQQNDSA-N 0 0 551.462 3.881 40 30 KHEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408832363 1066588874 /nfs/dbraw/zinc/58/88/74/1066588874.db2.gz QIPUNMYMRIKVQT-CNSVBDKNSA-N 0 0 577.968 3.905 40 30 KHEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408832367 1066218854 /nfs/dbraw/zinc/21/88/54/1066218854.db2.gz QIPUNMYMRIKVQT-FNGUVFISSA-N 0 0 577.968 3.905 40 30 KHEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408833116 1066588594 /nfs/dbraw/zinc/58/85/94/1066588594.db2.gz RNKDIBSDXLCMLG-CMISJSSVSA-N 0 0 525.630 3.785 40 30 KHEBRN C#CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408833130 1066589074 /nfs/dbraw/zinc/58/90/74/1066589074.db2.gz RNKDIBSDXLCMLG-DBXPASCUSA-N 0 0 525.630 3.785 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000408833562 1066219254 /nfs/dbraw/zinc/21/92/54/1066219254.db2.gz SZCJMGQFYRNQOP-NLZIUFDSSA-N 0 0 504.608 3.549 40 30 KHEBRN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000408833565 1066219288 /nfs/dbraw/zinc/21/92/88/1066219288.db2.gz SZCJMGQFYRNQOP-WLGHQHAYSA-N 0 0 504.608 3.549 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834354 1066588554 /nfs/dbraw/zinc/58/85/54/1066588554.db2.gz WCAMPOGCYDJJJJ-XOYGFPHKSA-N 0 0 552.450 3.772 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834356 1066588432 /nfs/dbraw/zinc/58/84/32/1066588432.db2.gz WCAMPOGCYDJJJJ-YJADQXIJSA-N 0 0 552.450 3.772 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408834523 1066586961 /nfs/dbraw/zinc/58/69/61/1066586961.db2.gz WKLIEIRYAZWAKL-NLZIUFDSSA-N 0 0 598.462 3.723 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408834525 1066586856 /nfs/dbraw/zinc/58/68/56/1066586856.db2.gz WKLIEIRYAZWAKL-WLGHQHAYSA-N 0 0 598.462 3.723 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408834648 1066588579 /nfs/dbraw/zinc/58/85/79/1066588579.db2.gz WTASEMZFAVXVEL-ASSGYOTOSA-N 0 0 516.619 3.598 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408834654 1066219385 /nfs/dbraw/zinc/21/93/85/1066219385.db2.gz WTASEMZFAVXVEL-OGRZUZBBSA-N 0 0 516.619 3.598 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408834914 1066219369 /nfs/dbraw/zinc/21/93/69/1066219369.db2.gz XKDOEOOAOJKWKW-XOYGFPHKSA-N 0 0 582.476 3.780 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408834917 1066588357 /nfs/dbraw/zinc/58/83/57/1066588357.db2.gz XKDOEOOAOJKWKW-YJADQXIJSA-N 0 0 582.476 3.780 40 30 KHEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408835112 1066587792 /nfs/dbraw/zinc/58/77/92/1066587792.db2.gz WFGPSMUEIUCQPV-DLBLZJNESA-N 0 0 507.011 3.772 40 30 KHEBRN C#CCOc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408835115 1066219505 /nfs/dbraw/zinc/21/95/05/1066219505.db2.gz WFGPSMUEIUCQPV-FCKOQQNDSA-N 0 0 507.011 3.772 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408835121 1066587928 /nfs/dbraw/zinc/58/79/28/1066587928.db2.gz MMOIRAAAFKABBM-NLZIUFDSSA-N 0 0 551.462 3.881 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408835123 1066587850 /nfs/dbraw/zinc/58/78/50/1066587850.db2.gz MMOIRAAAFKABBM-WLGHQHAYSA-N 0 0 551.462 3.881 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408835132 1066587915 /nfs/dbraw/zinc/58/79/15/1066587915.db2.gz MNOQQCJLOSFQHM-NLZIUFDSSA-N 0 0 537.037 3.781 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408835135 1066588002 /nfs/dbraw/zinc/58/80/02/1066588002.db2.gz MNOQQCJLOSFQHM-WLGHQHAYSA-N 0 0 537.037 3.781 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408835143 1066220168 /nfs/dbraw/zinc/22/01/68/1066220168.db2.gz MOYWBLLDJYCAEI-ABBNRAPFSA-N 0 0 546.645 3.606 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408835144 1066587802 /nfs/dbraw/zinc/58/78/02/1066587802.db2.gz MOYWBLLDJYCAEI-CSJROMOCSA-N 0 0 546.645 3.606 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408835186 1066587756 /nfs/dbraw/zinc/58/77/56/1066587756.db2.gz MXGPKYITRCWACU-CVGPFBNFSA-N 0 0 627.473 3.770 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC#N)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408835187 1066587958 /nfs/dbraw/zinc/58/79/58/1066587958.db2.gz MXGPKYITRCWACU-LJJBLSSYSA-N 0 0 627.473 3.770 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408835242 1066588026 /nfs/dbraw/zinc/58/80/26/1066588026.db2.gz YBLUAXKAMMHFAQ-IGSWSUAKSA-N 0 0 659.502 3.713 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408835244 1066587885 /nfs/dbraw/zinc/58/78/85/1066587885.db2.gz YBLUAXKAMMHFAQ-YMSBRDKKSA-N 0 0 659.502 3.713 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408835785 1066588009 /nfs/dbraw/zinc/58/80/09/1066588009.db2.gz YDJYBBGJNSFLHF-CVGPFBNFSA-N 0 0 596.459 3.789 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-] ZINC000408835789 1066587838 /nfs/dbraw/zinc/58/78/38/1066587838.db2.gz YDJYBBGJNSFLHF-LJJBLSSYSA-N 0 0 596.459 3.789 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408835894 1066587396 /nfs/dbraw/zinc/58/73/96/1066587396.db2.gz YSGDVSBMGTYKMY-XOYGFPHKSA-N 0 0 538.025 3.671 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408835930 1066587497 /nfs/dbraw/zinc/58/74/97/1066587497.db2.gz ZAMYIKVUPXNWPK-XOYGFPHKSA-N 0 0 599.450 3.614 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408835931 1066587973 /nfs/dbraw/zinc/58/79/73/1066587973.db2.gz ZAMYIKVUPXNWPK-YJADQXIJSA-N 0 0 599.450 3.614 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836066 1066586599 /nfs/dbraw/zinc/58/65/99/1066586599.db2.gz YSGDVSBMGTYKMY-YJADQXIJSA-N 0 0 538.025 3.671 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836069 1066586413 /nfs/dbraw/zinc/58/64/13/1066586413.db2.gz YTBVKTQSABLABJ-XOYGFPHKSA-N 0 0 629.476 3.622 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836070 1066586402 /nfs/dbraw/zinc/58/64/02/1066586402.db2.gz YTBVKTQSABLABJ-YJADQXIJSA-N 0 0 629.476 3.622 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)o4)c(=O)n32)cc1 ZINC000408842706 1066220024 /nfs/dbraw/zinc/22/00/24/1066220024.db2.gz AQTTVZZGUGBUGS-BDPRQDHOSA-N 0 0 521.639 3.802 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)o4)c(=O)n32)cc1 ZINC000408842710 1066592255 /nfs/dbraw/zinc/59/22/55/1066592255.db2.gz AQTTVZZGUGBUGS-YPKVGQCMSA-N 0 0 521.639 3.802 40 30 KHEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408843303 1066220804 /nfs/dbraw/zinc/22/08/04/1066220804.db2.gz SPNQYAJDMZUBDD-LVSKKATPSA-N 0 0 547.942 3.896 40 30 KHEBRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408843306 1066592188 /nfs/dbraw/zinc/59/21/88/1066592188.db2.gz SPNQYAJDMZUBDD-MTGKDYNDSA-N 0 0 547.942 3.896 40 30 KHEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(I)c1OCC(N)=O ZINC000408843458 1066591790 /nfs/dbraw/zinc/59/17/90/1066591790.db2.gz FTVUMGWWYFEIMN-SXGWCWSVSA-N 0 0 541.342 3.585 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc5c(cc4Br)OCO5)c(=O)n32)cc1 ZINC000408844914 1066591891 /nfs/dbraw/zinc/59/18/91/1066591891.db2.gz FRSUGZOCXZFRRO-DKOMQPSQSA-N 0 0 583.460 3.854 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc5c(cc4Br)OCO5)c(=O)n32)cc1 ZINC000408844923 1066591760 /nfs/dbraw/zinc/59/17/60/1066591760.db2.gz FRSUGZOCXZFRRO-IZBTWGKQSA-N 0 0 583.460 3.854 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)cc4)c(=O)n32)cc1 ZINC000408845070 1066591360 /nfs/dbraw/zinc/59/13/60/1066591360.db2.gz FAQUTVNFKUNJLR-IVNHJSRESA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC)cc4)c(=O)n32)cc1 ZINC000408845071 1066591282 /nfs/dbraw/zinc/59/12/82/1066591282.db2.gz FAQUTVNFKUNJLR-PBMMVTTKSA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC=C)c(OC)c4)c(=O)n32)cc1 ZINC000408848273 1066595881 /nfs/dbraw/zinc/59/58/81/1066595881.db2.gz SUBGSTKCZYZCGL-HPFVHPJRSA-N 0 0 546.645 3.937 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC=C)c(OC)c4)c(=O)n32)cc1 ZINC000408848274 1066595890 /nfs/dbraw/zinc/59/58/90/1066595890.db2.gz SUBGSTKCZYZCGL-WHNPURCTSA-N 0 0 546.645 3.937 40 30 KHEBRN CC/N=C1\S/C(=C\c2cc(I)c(OCC(=O)OC)c(OCC)c2)C(=O)N1CC ZINC000408848423 1066595837 /nfs/dbraw/zinc/59/58/37/1066595837.db2.gz URHSSNLWZGEQLA-XBYWKDNBSA-N 0 0 518.373 3.554 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OCC=C)c4)c(=O)n32)cc1 ZINC000408849490 1066595704 /nfs/dbraw/zinc/59/57/04/1066595704.db2.gz WAWOULHAYRFKKD-MBXGISOLSA-N 0 0 516.619 3.928 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OCC=C)c4)c(=O)n32)cc1 ZINC000408849491 1066595806 /nfs/dbraw/zinc/59/58/06/1066595806.db2.gz WAWOULHAYRFKKD-OKGRRGNVSA-N 0 0 516.619 3.928 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(OC)c4O)c(=O)n32)cc1 ZINC000408849519 1066595737 /nfs/dbraw/zinc/59/57/37/1066595737.db2.gz WQSKMHBBORDFCJ-QCHPHUCNSA-N 0 0 585.476 3.840 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)cc(OC)c4O)c(=O)n32)cc1 ZINC000408849520 1066221413 /nfs/dbraw/zinc/22/14/13/1066221413.db2.gz WQSKMHBBORDFCJ-VZIOXZNFSA-N 0 0 585.476 3.840 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1 ZINC000408849992 1066221592 /nfs/dbraw/zinc/22/15/92/1066221592.db2.gz CLTNLMQLAFAUHJ-CMISJSSVSA-N 0 0 547.677 3.915 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1 ZINC000408849993 1066595283 /nfs/dbraw/zinc/59/52/83/1066595283.db2.gz CLTNLMQLAFAUHJ-DBXPASCUSA-N 0 0 547.677 3.915 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Cl)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000408851886 1066221499 /nfs/dbraw/zinc/22/14/99/1066221499.db2.gz BCYIMKFAWUKMRT-CVGPFBNFSA-N 0 0 541.025 3.731 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Cl)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000408851888 1066221524 /nfs/dbraw/zinc/22/15/24/1066221524.db2.gz BCYIMKFAWUKMRT-LJJBLSSYSA-N 0 0 541.025 3.731 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(OC(C)=O)c(OC)c4)c(=O)n32)cc1 ZINC000408851904 1066595124 /nfs/dbraw/zinc/59/51/24/1066595124.db2.gz HDNUROYVWUXHQG-GJFKPFFXSA-N 0 0 674.513 3.902 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(OC(C)=O)c(OC)c4)c(=O)n32)cc1 ZINC000408851906 1066221427 /nfs/dbraw/zinc/22/14/27/1066221427.db2.gz HDNUROYVWUXHQG-LWUPDDLQSA-N 0 0 674.513 3.902 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)ccc4O)c(=O)n32)cc1 ZINC000408852529 1066221673 /nfs/dbraw/zinc/22/16/73/1066221673.db2.gz HBPITJYLHNNVQY-CVGPFBNFSA-N 0 0 555.450 3.831 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Br)ccc4O)c(=O)n32)cc1 ZINC000408852530 1066594673 /nfs/dbraw/zinc/59/46/73/1066594673.db2.gz HBPITJYLHNNVQY-LJJBLSSYSA-N 0 0 555.450 3.831 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC=C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408852881 1066594622 /nfs/dbraw/zinc/59/46/22/1066594622.db2.gz WWVFKSRDHJYFAJ-MBXGISOLSA-N 0 0 516.619 3.928 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC=C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408852884 1066594704 /nfs/dbraw/zinc/59/47/04/1066594704.db2.gz WWVFKSRDHJYFAJ-OKGRRGNVSA-N 0 0 516.619 3.928 40 30 KHEBRN CC/N=C1\S/C(=C\c2cc(Br)c(OCC(=O)OC)c(I)c2)C(=O)N1CC ZINC000408853296 1066221549 /nfs/dbraw/zinc/22/15/49/1066221549.db2.gz QTOYPFKHYKLKCY-AMCJISMJSA-N 0 0 553.216 3.918 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OCC=C)c(=O)n32)cc1 ZINC000408853469 1066593600 /nfs/dbraw/zinc/59/36/00/1066593600.db2.gz UDNRSIAEVCNCAL-INZJWMLVSA-N 0 0 516.619 3.928 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OCC=C)c(=O)n32)cc1 ZINC000408853470 1066593622 /nfs/dbraw/zinc/59/36/22/1066593622.db2.gz UDNRSIAEVCNCAL-NQCZSQBNSA-N 0 0 516.619 3.928 40 30 KHEBRN CC/N=C1\S/C(=C\c2cc(I)cc(I)c2O)C(=O)N1CC ZINC000408853555 1066594509 /nfs/dbraw/zinc/59/45/09/1066594509.db2.gz PKHKPZZAYDMESG-AJEADFGNSA-N 0 0 528.153 3.914 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(I)cc4)c(=O)n32)cc1 ZINC000408855382 1066222997 /nfs/dbraw/zinc/22/29/97/1066222997.db2.gz CSMNRPOOXKPRHN-FQWPPLDYSA-N 0 0 586.451 3.968 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(I)cc4)c(=O)n32)cc1 ZINC000408855384 1066594211 /nfs/dbraw/zinc/59/42/11/1066594211.db2.gz CSMNRPOOXKPRHN-RNHBDSLOSA-N 0 0 586.451 3.968 40 30 KHEBRN CC/N=C1\S/C(=C\c2cc(I)c(OCC(=O)OCC)c(OC)c2)C(=O)N1CC ZINC000408856131 1066223176 /nfs/dbraw/zinc/22/31/76/1066223176.db2.gz PKAPYUGKUDMQJY-XBYWKDNBSA-N 0 0 518.373 3.554 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408858690 1066597724 /nfs/dbraw/zinc/59/77/24/1066597724.db2.gz KSVMAHNLZQWEOJ-XIHDXPBISA-N 0 0 579.634 3.978 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4C#N)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408858691 1066597853 /nfs/dbraw/zinc/59/78/53/1066597853.db2.gz KSVMAHNLZQWEOJ-ZTJHJZSNSA-N 0 0 579.634 3.978 40 30 KHEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc(Br)c1OCC(N)=O ZINC000408858746 1066597731 /nfs/dbraw/zinc/59/77/31/1066597731.db2.gz LPNVNWUZLNPICF-ZDLGFXPLSA-N 0 0 520.405 3.921 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)OCC)c(OCC)c4)c(=O)n32)cc1 ZINC000408858813 1066597864 /nfs/dbraw/zinc/59/78/64/1066597864.db2.gz SWZZUFZDAHYGBU-GBIJUZDQSA-N 0 0 606.697 3.704 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)OCC)c(OCC)c4)c(=O)n32)cc1 ZINC000408858818 1066222142 /nfs/dbraw/zinc/22/21/42/1066222142.db2.gz SWZZUFZDAHYGBU-JQTKYWOZSA-N 0 0 606.697 3.704 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1I ZINC000408859416 1066597770 /nfs/dbraw/zinc/59/77/70/1066597770.db2.gz UEGHDMDCGZGWFQ-CPLCJUBRSA-N 0 0 539.189 3.528 40 30 KHEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4O)c(=O)n32)cc1 ZINC000408859528 1066597672 /nfs/dbraw/zinc/59/76/72/1066597672.db2.gz XUDBBHLSORBXMR-CVGPFBNFSA-N 0 0 510.999 3.722 40 30 KHEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(Cl)ccc4O)c(=O)n32)cc1 ZINC000408859530 1066597787 /nfs/dbraw/zinc/59/77/87/1066597787.db2.gz XUDBBHLSORBXMR-LJJBLSSYSA-N 0 0 510.999 3.722 40 30 KHEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc(I)c1OCC(N)=O ZINC000408861640 1066597426 /nfs/dbraw/zinc/59/74/26/1066597426.db2.gz UGQACRDPQWKRHA-ZDLGFXPLSA-N 0 0 567.405 3.763 40 30 KHEBRN CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C=C3C(=O)C(C(=O)OC)=C(C)N3c3ccc(F)cc3)o2)cc1 ZINC000408865383 1066596401 /nfs/dbraw/zinc/59/64/01/1066596401.db2.gz AOICFKMZAZELFD-BUVRLJJBSA-N 0 0 575.549 3.728 40 30 KHEBRN COc1ccc(S(=O)(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1Br ZINC000408868270 1066599643 /nfs/dbraw/zinc/59/96/43/1066599643.db2.gz PFGSDHKUPJDSCC-DJKKODMXSA-N 0 0 508.188 3.550 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408869696 1066223640 /nfs/dbraw/zinc/22/36/40/1066223640.db2.gz TUZBPRTXOVBWTP-WJDWOHSUSA-N 0 0 532.359 3.533 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OC ZINC000408871423 1066223974 /nfs/dbraw/zinc/22/39/74/1066223974.db2.gz GJGRUMAEUGNNAB-WJDWOHSUSA-N 0 0 530.318 3.541 40 30 KHEBRN COC(=O)C1=C(C)NC(=Cc2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)C1=O ZINC000408871829 1066599109 /nfs/dbraw/zinc/59/91/09/1066599109.db2.gz XPTSNLZWIPSUKE-BUVRLJJBSA-N 0 0 506.580 3.939 40 30 KHEBRN C=CCN1C(=O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)C(C(=O)OC)=C1C ZINC000408875414 1066224431 /nfs/dbraw/zinc/22/44/31/1066224431.db2.gz FMCZEJVHTPHMRP-YBFXNURJSA-N 0 0 518.353 3.700 40 30 KHEBRN Cc1ccc(S(=O)(=O)Oc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000408879401 1066599859 /nfs/dbraw/zinc/59/98/59/1066599859.db2.gz GAFSKECJVGIAME-CIAFOILYSA-N 0 0 501.433 3.933 40 30 KHEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408882156 1066600189 /nfs/dbraw/zinc/60/01/89/1066600189.db2.gz NRCMWRZITYJYRZ-CIAFOILYSA-N 0 0 517.432 3.634 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408882190 1066224887 /nfs/dbraw/zinc/22/48/87/1066224887.db2.gz NXFFFWMWVQJHLT-OEAKJJBVSA-N 0 0 539.429 3.846 40 30 KHEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408882315 1066599547 /nfs/dbraw/zinc/59/95/47/1066599547.db2.gz ONZNJGYMJVYQTM-LSHDLFTRSA-N 0 0 599.319 3.725 40 30 KHEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000408885479 1066224397 /nfs/dbraw/zinc/22/43/97/1066224397.db2.gz ANULPQKNUBQDPM-HZHRSRAPSA-N 0 0 586.429 3.770 40 30 KHEBRN Cc1ccc(COc2c(I)cc(/C=N/NC(N)=S)cc2I)cc1 ZINC000408886334 1066225601 /nfs/dbraw/zinc/22/56/01/1066225601.db2.gz GHEDPNGSFWERLY-DNTJNYDQSA-N 0 0 551.191 3.950 40 30 KHEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000408887512 1066600676 /nfs/dbraw/zinc/60/06/76/1066600676.db2.gz RGVURBULFDSXLJ-HYARGMPZSA-N 0 0 509.403 3.838 40 30 KHEBRN CCOc1c(I)cc(/C=N/NS(=O)(=O)c2ccccc2)cc1I ZINC000408887532 1066225712 /nfs/dbraw/zinc/22/57/12/1066225712.db2.gz PBVCIJZUIXDJQL-VCHYOVAHSA-N 0 0 556.163 3.607 40 30 KHEBRN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408888203 1066600627 /nfs/dbraw/zinc/60/06/27/1066600627.db2.gz TWDFODLYMHXPQW-CIAFOILYSA-N 0 0 517.432 3.634 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408888214 1066225539 /nfs/dbraw/zinc/22/55/39/1066225539.db2.gz TYPFCSMXPDFVBR-YDZHTSKRSA-N 0 0 631.426 3.597 40 30 KHEBRN COc1ccc(C(=O)Oc2c(I)cc(/C=N/NS(=O)(=O)c3ccccc3)cc2OC)cc1 ZINC000408888894 1066600525 /nfs/dbraw/zinc/60/05/25/1066600525.db2.gz CLJDVSNLTVXQFL-ZVHZXABRSA-N 0 0 566.373 3.840 40 30 KHEBRN COc1ccc(C(=O)Oc2c(Br)cc(/C=N/NS(=O)(=O)c3ccccc3)cc2OC)cc1 ZINC000408890093 1066601288 /nfs/dbraw/zinc/60/12/88/1066601288.db2.gz NPOSJZQMTUECDW-ZVHZXABRSA-N 0 0 519.373 3.998 40 30 KHEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NS(=O)(=O)c3ccccc3)cc2Br)cc1 ZINC000408890439 1066601313 /nfs/dbraw/zinc/60/13/13/1066601313.db2.gz TXRIBDMKJGRIKV-HYARGMPZSA-N 0 0 509.403 3.838 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(I)c1OC(=O)c1ccccc1 ZINC000408892571 1066225876 /nfs/dbraw/zinc/22/58/76/1066225876.db2.gz CPYDYYNQYUJXMK-OEAKJJBVSA-N 0 0 536.347 3.831 40 30 KHEBRN NC(=S)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 ZINC000408892879 1066601309 /nfs/dbraw/zinc/60/13/09/1066601309.db2.gz DJXXUCATDXQMTJ-UFWORHAWSA-N 0 0 537.164 3.642 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408893010 1066601391 /nfs/dbraw/zinc/60/13/91/1066601391.db2.gz DRKLFDGIRIGOLO-OEAKJJBVSA-N 0 0 586.429 3.688 40 30 KHEBRN CCOc1c(I)cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1I ZINC000408893906 1066600552 /nfs/dbraw/zinc/60/05/52/1066600552.db2.gz GTONCGYYOISDDK-VXLYETTFSA-N 0 0 570.190 3.915 40 30 KHEBRN CCOc1cc(/C=N/NS(=O)(=O)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 ZINC000408897792 1066226386 /nfs/dbraw/zinc/22/63/86/1066226386.db2.gz ZORWJMVPMPHITB-HZHRSRAPSA-N 0 0 539.429 3.928 40 30 KHEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000408897802 1066604791 /nfs/dbraw/zinc/60/47/91/1066604791.db2.gz UCHWUTBBEQJERB-HYARGMPZSA-N 0 0 509.403 3.838 40 30 KHEBRN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C(=O)NC1=S ZINC000408900937 1066604859 /nfs/dbraw/zinc/60/48/59/1066604859.db2.gz AHOMKNNXANILNT-GZTJUZNOSA-N 0 0 502.346 3.749 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2cc(OCC)c(OCC(=O)Nc3ccc(C)cc3)cc2Br)C(=O)NC1=S ZINC000408900944 1066226579 /nfs/dbraw/zinc/22/65/79/1066226579.db2.gz AKDWZAOFKDUZFY-WOJGMQOQSA-N 0 0 558.454 3.986 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)C(=O)NC1=S ZINC000408901635 1066604062 /nfs/dbraw/zinc/60/40/62/1066604062.db2.gz GXWCAGGBUHZMBL-GZTJUZNOSA-N 0 0 514.401 3.588 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C(=O)NC1=S ZINC000408901649 1066604123 /nfs/dbraw/zinc/60/41/23/1066604123.db2.gz AAQKURKPZKZUJI-CXUHLZMHSA-N 0 0 552.365 3.831 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)C(=O)NC1=S ZINC000408901724 1066604175 /nfs/dbraw/zinc/60/41/75/1066604175.db2.gz AZBRVBZIJFRHDJ-MHWRWJLKSA-N 0 0 522.339 3.822 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)C(=O)NC1=S ZINC000408901739 1066226444 /nfs/dbraw/zinc/22/64/44/1066226444.db2.gz BMMDOVYAIVWTLQ-OQLLNIDSSA-N 0 0 505.365 3.989 40 30 KHEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)C(=O)NC1=S ZINC000408901742 1066604050 /nfs/dbraw/zinc/60/40/50/1066604050.db2.gz BNMVHCIIKXDKAR-MHWRWJLKSA-N 0 0 522.339 3.822 40 30 KHEBRN 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KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1cccs1 ZINC000408916590 1066606206 /nfs/dbraw/zinc/60/62/06/1066606206.db2.gz YDFXVYPLMSPUDC-YPKVGQCMSA-N 0 0 557.653 3.908 40 30 KHEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OCC)c(I)c2)C1=O ZINC000408916861 1066228815 /nfs/dbraw/zinc/22/88/15/1066228815.db2.gz HLZZSHBJYRZXBE-MDWZMJQESA-N 0 0 597.168 3.507 40 30 KHEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C1=O ZINC000408918919 1066613086 /nfs/dbraw/zinc/61/30/86/1066613086.db2.gz QPQOSEWAQHNYPG-LDADJPATSA-N 0 0 548.358 3.987 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408919560 1066612681 /nfs/dbraw/zinc/61/26/81/1066612681.db2.gz BAVHWDLAVOLHRJ-HPFVHPJRSA-N 0 0 547.677 3.828 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408919561 1066612624 /nfs/dbraw/zinc/61/26/24/1066612624.db2.gz BAVHWDLAVOLHRJ-WHNPURCTSA-N 0 0 547.677 3.828 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408919682 1066612643 /nfs/dbraw/zinc/61/26/43/1066612643.db2.gz BJGUPKDIYYTSEE-GTWFGUSFSA-N 0 0 548.686 3.929 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408919683 1066612697 /nfs/dbraw/zinc/61/26/97/1066612697.db2.gz BJGUPKDIYYTSEE-SJJVXOANSA-N 0 0 548.686 3.929 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408919825 1066228837 /nfs/dbraw/zinc/22/88/37/1066228837.db2.gz CZFADIKDFZAJHG-DLBLZJNESA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000408919826 1066612649 /nfs/dbraw/zinc/61/26/49/1066612649.db2.gz CZFADIKDFZAJHG-FCKOQQNDSA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408920011 1066612685 /nfs/dbraw/zinc/61/26/85/1066612685.db2.gz GGKKRZFDZGTPCI-QKSFETHESA-N 0 0 537.037 3.862 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408920012 1066228879 /nfs/dbraw/zinc/22/88/79/1066228879.db2.gz GGKKRZFDZGTPCI-ZDQFFALBSA-N 0 0 537.037 3.862 40 30 KHEBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)cc1 ZINC000408920021 1066228823 /nfs/dbraw/zinc/22/88/23/1066228823.db2.gz GIVHMMWIYHFUGN-DLBLZJNESA-N 0 0 519.648 3.811 40 30 KHEBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)cc1 ZINC000408920022 1066612656 /nfs/dbraw/zinc/61/26/56/1066612656.db2.gz GIVHMMWIYHFUGN-FCKOQQNDSA-N 0 0 519.648 3.811 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000408920105 1066611903 /nfs/dbraw/zinc/61/19/03/1066611903.db2.gz HEIGCDRNVPOTIA-FUFNRSNVSA-N 0 0 574.655 3.718 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000408920106 1066611956 /nfs/dbraw/zinc/61/19/56/1066611956.db2.gz HEIGCDRNVPOTIA-PRLWALMFSA-N 0 0 574.655 3.718 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408920295 1066229367 /nfs/dbraw/zinc/22/93/67/1066229367.db2.gz IDSQHFROSULUHK-GJFKPFFXSA-N 0 0 567.063 3.869 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408920296 1066611932 /nfs/dbraw/zinc/61/19/32/1066611932.db2.gz IDSQHFROSULUHK-LWUPDDLQSA-N 0 0 567.063 3.869 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408920345 1066612074 /nfs/dbraw/zinc/61/20/74/1066612074.db2.gz IQMWWHINEUMPLH-CWJUKMOQSA-N 0 0 595.633 3.575 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408920346 1066612129 /nfs/dbraw/zinc/61/21/29/1066612129.db2.gz IQMWWHINEUMPLH-SFKHYTNKSA-N 0 0 595.633 3.575 40 30 KHEBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1 ZINC000408920952 1066229695 /nfs/dbraw/zinc/22/96/95/1066229695.db2.gz MCENWXQUIQCSKZ-DLBLZJNESA-N 0 0 519.648 3.811 40 30 KHEBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1 ZINC000408920953 1066611522 /nfs/dbraw/zinc/61/15/22/1066611522.db2.gz MCENWXQUIQCSKZ-FCKOQQNDSA-N 0 0 519.648 3.811 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408921193 1066611440 /nfs/dbraw/zinc/61/14/40/1066611440.db2.gz ANTASEURDOOZKV-CMISJSSVSA-N 0 0 539.613 3.862 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408921196 1066611509 /nfs/dbraw/zinc/61/15/09/1066611509.db2.gz ANTASEURDOOZKV-DBXPASCUSA-N 0 0 539.613 3.862 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000408921252 1066229796 /nfs/dbraw/zinc/22/97/96/1066229796.db2.gz BLSRFCZMCXPLHB-QYTZQGLJSA-N 0 0 560.672 3.998 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OCC ZINC000408921255 1066229730 /nfs/dbraw/zinc/22/97/30/1066229730.db2.gz BLSRFCZMCXPLHB-RBRLEXCSSA-N 0 0 560.672 3.998 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408921335 1066611384 /nfs/dbraw/zinc/61/13/84/1066611384.db2.gz BPNWOFKVMUPGHW-IVNHJSRESA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408921339 1066611512 /nfs/dbraw/zinc/61/15/12/1066611512.db2.gz BPNWOFKVMUPGHW-PBMMVTTKSA-N 0 0 504.608 3.762 40 30 KHEBRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NS(=O)(=O)c3ccc(C)cc3)cc2Br)cc1 ZINC000408922170 1066230645 /nfs/dbraw/zinc/23/06/45/1066230645.db2.gz DRNQUJBJPQZHJI-ZVHZXABRSA-N 0 0 566.455 3.796 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408922402 1066610773 /nfs/dbraw/zinc/61/07/73/1066610773.db2.gz DUJIVCVSAVQYSA-QPWQWLJXSA-N 0 0 538.625 3.972 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408922404 1066231905 /nfs/dbraw/zinc/23/19/05/1066231905.db2.gz DUJIVCVSAVQYSA-ZYSRDMNZSA-N 0 0 538.625 3.972 40 30 KHEBRN Cc1cccc(COc2c(I)cc(/C=N/NC(N)=S)cc2I)c1 ZINC000408922876 1066610641 /nfs/dbraw/zinc/61/06/41/1066610641.db2.gz HGLJHDHJRIMYJK-DNTJNYDQSA-N 0 0 551.191 3.950 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408923063 1066610793 /nfs/dbraw/zinc/61/07/93/1066610793.db2.gz OUDGPLIJMNGYBU-HPFVHPJRSA-N 0 0 546.645 3.608 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408923067 1066232029 /nfs/dbraw/zinc/23/20/29/1066232029.db2.gz OUDGPLIJMNGYBU-WHNPURCTSA-N 0 0 546.645 3.608 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408923200 1066610248 /nfs/dbraw/zinc/61/02/48/1066610248.db2.gz PADLEDHZIDOXHP-QKSFETHESA-N 0 0 518.660 3.921 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408923203 1066610821 /nfs/dbraw/zinc/61/08/21/1066610821.db2.gz PADLEDHZIDOXHP-ZDQFFALBSA-N 0 0 518.660 3.921 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408923489 1066232016 /nfs/dbraw/zinc/23/20/16/1066232016.db2.gz FJAZNTWJDLQSGL-ASZNLBCTSA-N 0 0 569.639 3.871 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408923493 1066231888 /nfs/dbraw/zinc/23/18/88/1066231888.db2.gz FJAZNTWJDLQSGL-YNMQQHPQSA-N 0 0 569.639 3.871 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408923516 1066610213 /nfs/dbraw/zinc/61/02/13/1066610213.db2.gz FSFFQUBTHGLMIC-FHMSYZJOSA-N 0 0 552.656 3.920 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408923520 1066232126 /nfs/dbraw/zinc/23/21/26/1066232126.db2.gz FSFFQUBTHGLMIC-OXWVMCNISA-N 0 0 552.656 3.920 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408924117 1066232151 /nfs/dbraw/zinc/23/21/51/1066232151.db2.gz QGUSDOPMCRBOKD-IGSWSUAKSA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408924119 1066232108 /nfs/dbraw/zinc/23/21/08/1066232108.db2.gz QGUSDOPMCRBOKD-YMSBRDKKSA-N 0 0 567.461 3.581 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408924362 1066610153 /nfs/dbraw/zinc/61/01/53/1066610153.db2.gz IBDKTYWUYNFFMT-QKSFETHESA-N 0 0 567.063 3.871 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408924364 1066610223 /nfs/dbraw/zinc/61/02/23/1066610223.db2.gz IBDKTYWUYNFFMT-ZDQFFALBSA-N 0 0 567.063 3.871 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000408924811 1066610181 /nfs/dbraw/zinc/61/01/81/1066610181.db2.gz ONBSURBWPNVFGS-AFUMVMLFSA-N 0 0 552.030 3.696 40 30 KHEBRN COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NS(=O)(=O)c3ccc(C)cc3)cc2Br)cc1 ZINC000408924820 1066610129 /nfs/dbraw/zinc/61/01/29/1066610129.db2.gz OPZVCEIQKNTRBB-OEAKJJBVSA-N 0 0 539.429 3.846 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000408924926 1066609605 /nfs/dbraw/zinc/60/96/05/1066609605.db2.gz RTHXNKSSMMOMPU-CBYYHRJHSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000408924929 1066609636 /nfs/dbraw/zinc/60/96/36/1066609636.db2.gz RTHXNKSSMMOMPU-PNZYDNNZSA-N 0 0 597.487 3.590 40 30 KHEBRN COc1ccc(S(=O)(=O)Oc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2OC)cc1 ZINC000408924986 1066610146 /nfs/dbraw/zinc/61/01/46/1066610146.db2.gz PVOJLVWTXFFAJA-LPYMAVHISA-N 0 0 502.461 3.734 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408925423 1066609531 /nfs/dbraw/zinc/60/95/31/1066609531.db2.gz KSFHWTSMMRBMQP-VEOZPNHKSA-N 0 0 539.613 3.862 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408925424 1066231359 /nfs/dbraw/zinc/23/13/59/1066231359.db2.gz KSFHWTSMMRBMQP-ZEKHAJRLSA-N 0 0 539.613 3.862 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408925464 1066609672 /nfs/dbraw/zinc/60/96/72/1066609672.db2.gz LCKKTOGNEZYOIG-MFCBUNOESA-N 0 0 553.596 3.583 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(OCC#N)ccc4ccccc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408925466 1066231388 /nfs/dbraw/zinc/23/13/88/1066231388.db2.gz LCKKTOGNEZYOIG-SUAMDDGLSA-N 0 0 553.596 3.583 40 30 KHEBRN CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCC#N)c4)c(=O)n32)cc1 ZINC000408925648 1066609645 /nfs/dbraw/zinc/60/96/45/1066609645.db2.gz SDWIKGUHGJLTGI-DLBLZJNESA-N 0 0 519.648 3.811 40 30 KHEBRN CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc(OCC#N)c4)c(=O)n32)cc1 ZINC000408925651 1066609641 /nfs/dbraw/zinc/60/96/41/1066609641.db2.gz SDWIKGUHGJLTGI-FCKOQQNDSA-N 0 0 519.648 3.811 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408925657 1066609582 /nfs/dbraw/zinc/60/95/82/1066609582.db2.gz SENSNVGWXOSFCI-KYRGTEIWSA-N 0 0 565.607 3.567 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408925664 1066609631 /nfs/dbraw/zinc/60/96/31/1066609631.db2.gz SENSNVGWXOSFCI-NKYAOSOXSA-N 0 0 565.607 3.567 40 30 KHEBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC#N ZINC000408925727 1066231374 /nfs/dbraw/zinc/23/13/74/1066231374.db2.gz SLYQEWGBVKIVTM-GJFKPFFXSA-N 0 0 549.674 3.820 40 30 KHEBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC#N ZINC000408925728 1066609663 /nfs/dbraw/zinc/60/96/63/1066609663.db2.gz SLYQEWGBVKIVTM-LWUPDDLQSA-N 0 0 549.674 3.820 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408925730 1066231464 /nfs/dbraw/zinc/23/14/64/1066231464.db2.gz SNHPJINXCYYSBU-QARYAGPDSA-N 0 0 595.073 3.981 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408925731 1066609677 /nfs/dbraw/zinc/60/96/77/1066609677.db2.gz SNHPJINXCYYSBU-ZSJKCPIUSA-N 0 0 595.073 3.981 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408925764 1066609003 /nfs/dbraw/zinc/60/90/03/1066609003.db2.gz SWODIBDKOMSJER-FOOJEKODSA-N 0 0 522.648 3.661 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408925765 1066608963 /nfs/dbraw/zinc/60/89/63/1066608963.db2.gz SWODIBDKOMSJER-FVIVVMBBSA-N 0 0 522.648 3.661 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc3c(c1)OCO3)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408926235 1066608935 /nfs/dbraw/zinc/60/89/35/1066608935.db2.gz LTPGIKNHSQBPHH-GBIJUZDQSA-N 0 0 564.619 3.676 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc3c(c1)OCO3)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408926237 1066609039 /nfs/dbraw/zinc/60/90/39/1066609039.db2.gz LTPGIKNHSQBPHH-JQTKYWOZSA-N 0 0 564.619 3.676 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408926316 1066609018 /nfs/dbraw/zinc/60/90/18/1066609018.db2.gz MMWHADMEBADVBW-GBIJUZDQSA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408926320 1066608986 /nfs/dbraw/zinc/60/89/86/1066608986.db2.gz MMWHADMEBADVBW-JQTKYWOZSA-N 0 0 568.651 3.981 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408926531 1066608329 /nfs/dbraw/zinc/60/83/29/1066608329.db2.gz UPSGYZWUEBJAGX-IGSWSUAKSA-N 0 0 517.010 3.930 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408926534 1066608472 /nfs/dbraw/zinc/60/84/72/1066608472.db2.gz UPSGYZWUEBJAGX-YMSBRDKKSA-N 0 0 517.010 3.930 40 30 KHEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000408926695 1066608403 /nfs/dbraw/zinc/60/84/03/1066608403.db2.gz XKULIXQRJMOLEI-AFUMVMLFSA-N 0 0 596.481 3.805 40 30 KHEBRN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000408926820 1066231227 /nfs/dbraw/zinc/23/12/27/1066231227.db2.gz YOWAOKSYOAITCY-YDZHTSKRSA-N 0 0 529.487 3.684 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408926947 1066608301 /nfs/dbraw/zinc/60/83/01/1066608301.db2.gz NWOCXVKAXGEHQZ-QARYAGPDSA-N 0 0 686.524 3.932 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(CCC)N=3)cc1OC ZINC000408926954 1066608312 /nfs/dbraw/zinc/60/83/12/1066608312.db2.gz NWOCXVKAXGEHQZ-ZSJKCPIUSA-N 0 0 686.524 3.932 40 30 KHEBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccccc3OCC#N)sc2=N1 ZINC000408926995 1066608376 /nfs/dbraw/zinc/60/83/76/1066608376.db2.gz ODEDEQPVFMYPOL-FCYPAOMHSA-N 0 0 524.577 3.915 40 30 KHEBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccccc3OCC#N)sc2=N1 ZINC000408926998 1066608344 /nfs/dbraw/zinc/60/83/44/1066608344.db2.gz ODEDEQPVFMYPOL-KDSDTBODSA-N 0 0 524.577 3.915 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000408927074 1066608480 /nfs/dbraw/zinc/60/84/80/1066608480.db2.gz OMNBSKKJNUGUEI-HDFSHUSISA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000408927080 1066608411 /nfs/dbraw/zinc/60/84/11/1066608411.db2.gz OMNBSKKJNUGUEI-LAUBZIAYSA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(SC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408927362 1066232000 /nfs/dbraw/zinc/23/20/00/1066232000.db2.gz WBLASNAYSCWBMX-QKSFETHESA-N 0 0 518.660 3.921 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(SC)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408927363 1066232806 /nfs/dbraw/zinc/23/28/06/1066232806.db2.gz WBLASNAYSCWBMX-ZDQFFALBSA-N 0 0 518.660 3.921 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408927406 1066232707 /nfs/dbraw/zinc/23/27/07/1066232707.db2.gz WPBGBBZJYBWJJS-GTWFGUSFSA-N 0 0 534.634 3.770 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408927407 1066614478 /nfs/dbraw/zinc/61/44/78/1066614478.db2.gz WPBGBBZJYBWJJS-SJJVXOANSA-N 0 0 534.634 3.770 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927592 1066614343 /nfs/dbraw/zinc/61/43/43/1066614343.db2.gz QOAGLEDGYWZDNQ-CBYYHRJHSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927594 1066614404 /nfs/dbraw/zinc/61/44/04/1066614404.db2.gz QOAGLEDGYWZDNQ-PNZYDNNZSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408927652 1066614423 /nfs/dbraw/zinc/61/44/23/1066614423.db2.gz RDZZHEIYCMBMPA-FQWZWQHVSA-N 0 0 564.619 3.676 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408927653 1066232831 /nfs/dbraw/zinc/23/28/31/1066232831.db2.gz RDZZHEIYCMBMPA-LRUGRNCASA-N 0 0 564.619 3.676 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408927654 1066614346 /nfs/dbraw/zinc/61/43/46/1066614346.db2.gz REPPPHNQFHGALJ-GJFKPFFXSA-N 0 0 658.514 3.821 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408927655 1066614462 /nfs/dbraw/zinc/61/44/62/1066614462.db2.gz REPPPHNQFHGALJ-LWUPDDLQSA-N 0 0 658.514 3.821 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408928002 1066613804 /nfs/dbraw/zinc/61/38/04/1066613804.db2.gz UDRIKEGEUPSIFH-FHMSYZJOSA-N 0 0 538.625 3.972 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408928003 1066613749 /nfs/dbraw/zinc/61/37/49/1066613749.db2.gz UDRIKEGEUPSIFH-OXWVMCNISA-N 0 0 538.625 3.972 40 30 KHEBRN CCOc1c(I)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1I ZINC000408928644 1066613773 /nfs/dbraw/zinc/61/37/73/1066613773.db2.gz CURBWSNDNGSHSJ-SQNOIRBYSA-N 0 0 528.153 3.826 40 30 KHEBRN C/N=C1/S/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)C(=O)N1C ZINC000408928851 1066613745 /nfs/dbraw/zinc/61/37/45/1066613745.db2.gz FIWXYPUROYVFCC-FYSQBISVSA-N 0 0 555.369 3.988 40 30 KHEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OCC(=O)OC ZINC000408929274 1066613232 /nfs/dbraw/zinc/61/32/32/1066613232.db2.gz UDMZTMMMMBPMSG-MAELQIJGSA-N 0 0 511.600 3.708 40 30 KHEBRN C/N=C1/S/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)C(=O)N1C ZINC000408929516 1066613181 /nfs/dbraw/zinc/61/31/81/1066613181.db2.gz KKTWQEOBSCOCRF-NDWSVSLVSA-N 0 0 537.379 3.849 40 30 KHEBRN C=CCOc1c(I)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1I ZINC000408929566 1066613255 /nfs/dbraw/zinc/61/32/55/1066613255.db2.gz KYJXDCLFEJJDJI-NOMCZCQPSA-N 0 0 540.164 3.993 40 30 KHEBRN COC(=O)COc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)cc1OC ZINC000408929700 1066613067 /nfs/dbraw/zinc/61/30/67/1066613067.db2.gz MQXKLVQCVQXUPF-HLUWJQTDSA-N 0 0 532.018 3.971 40 30 KHEBRN CC/N=C1/S/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)C(=O)N1CC ZINC000408930518 1066233306 /nfs/dbraw/zinc/23/33/06/1066233306.db2.gz YBZAXNIKAVYDGR-GDVPXNOZSA-N 0 0 600.216 3.760 40 30 KHEBRN CC/N=C1/S/C(=C/c2cc(I)c(OCC(=O)OCC)c(OCC)c2)C(=O)N1CC ZINC000408931241 1066233573 /nfs/dbraw/zinc/23/35/73/1066233573.db2.gz IVXODQPDJAWVAP-MNWMAMHBSA-N 0 0 532.400 3.944 40 30 KHEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(CCOC)C2=O)ccc1OCC(=O)OC ZINC000408931301 1066613281 /nfs/dbraw/zinc/61/32/81/1066613281.db2.gz JTCCHYXKUHRJLE-GZAOZUBMSA-N 0 0 500.573 3.896 40 30 KHEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(I)c1OCC(=O)OC ZINC000408932122 1066618138 /nfs/dbraw/zinc/61/81/38/1066618138.db2.gz UIEHFGBXEPSPLO-ZVHZXABRSA-N 0 0 524.355 3.829 40 30 KHEBRN CCOC(=O)COc1c(I)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408932611 1066618146 /nfs/dbraw/zinc/61/81/46/1066618146.db2.gz YEGDRYYDWSFOJI-ZVHZXABRSA-N 0 0 524.355 3.829 40 30 KHEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(Br)cc1OC ZINC000408933503 1066234294 /nfs/dbraw/zinc/23/42/94/1066234294.db2.gz BBPSLSVKUDRBKU-BZNKKWMXSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(Br)cc1OC ZINC000408933505 1066234161 /nfs/dbraw/zinc/23/41/61/1066234161.db2.gz BBPSLSVKUDRBKU-TZPPZLRXSA-N 0 0 627.513 3.599 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408933665 1066234062 /nfs/dbraw/zinc/23/40/62/1066234062.db2.gz JVKLBNMIMIDSHJ-KXERKJKRSA-N 0 0 646.503 3.985 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408933666 1066617618 /nfs/dbraw/zinc/61/76/18/1066617618.db2.gz JVKLBNMIMIDSHJ-RVEICJNFSA-N 0 0 646.503 3.985 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OCC)c1O ZINC000408934041 1066234045 /nfs/dbraw/zinc/23/40/45/1066234045.db2.gz CKFWFGFKTBTBFO-MJRUJHQZSA-N 0 0 564.660 3.648 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OCC)c1O ZINC000408934043 1066234248 /nfs/dbraw/zinc/23/42/48/1066234248.db2.gz CKFWFGFKTBTBFO-MLGNGQMDSA-N 0 0 564.660 3.648 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408934080 1066615079 /nfs/dbraw/zinc/61/50/79/1066615079.db2.gz CNVVCTJELVWNFJ-KIQOBVLXSA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408934083 1066234110 /nfs/dbraw/zinc/23/41/10/1066234110.db2.gz CNVVCTJELVWNFJ-NTJADAFJSA-N 0 0 568.651 3.981 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408934219 1066617633 /nfs/dbraw/zinc/61/76/33/1066617633.db2.gz LQUYNTHJXUOAFL-KXERKJKRSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408934477 1066234844 /nfs/dbraw/zinc/23/48/44/1066234844.db2.gz LQUYNTHJXUOAFL-RVEICJNFSA-N 0 0 597.487 3.590 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408934746 1066234885 /nfs/dbraw/zinc/23/48/85/1066234885.db2.gz CWBXLOHWLQKGFL-KXERKJKRSA-N 0 0 642.528 3.879 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408934749 1066616916 /nfs/dbraw/zinc/61/69/16/1066616916.db2.gz CWBXLOHWLQKGFL-RVEICJNFSA-N 0 0 642.528 3.879 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC#N)c(I)c4)c(=O)n32)cc1OCC ZINC000408934797 1066616880 /nfs/dbraw/zinc/61/68/80/1066616880.db2.gz MNOKAIZTSUNOMH-HIFDDZRDSA-N 0 0 771.371 3.927 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC#N)c(I)c4)c(=O)n32)cc1OCC ZINC000408934800 1066616936 /nfs/dbraw/zinc/61/69/36/1066616936.db2.gz MNOKAIZTSUNOMH-TYBHGIAWSA-N 0 0 771.371 3.927 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408935372 1066616856 /nfs/dbraw/zinc/61/68/56/1066616856.db2.gz DOZADNYDUKBGJD-JUTHHCEFSA-N 0 0 573.454 3.744 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408935373 1066235129 /nfs/dbraw/zinc/23/51/29/1066235129.db2.gz DOZADNYDUKBGJD-VVOOWDFBSA-N 0 0 573.454 3.744 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408936760 1066235701 /nfs/dbraw/zinc/23/57/01/1066235701.db2.gz INZLUKKAKZVLFX-IAOUMNOZSA-N 0 0 560.672 3.996 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408936764 1066615737 /nfs/dbraw/zinc/61/57/37/1066615737.db2.gz INZLUKKAKZVLFX-RYOBIWAXSA-N 0 0 560.672 3.996 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408937472 1066626956 /nfs/dbraw/zinc/62/69/56/1066626956.db2.gz GPNITGZSTVCILG-MJRUJHQZSA-N 0 0 597.089 3.880 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408937475 1066237005 /nfs/dbraw/zinc/23/70/05/1066237005.db2.gz GPNITGZSTVCILG-MLGNGQMDSA-N 0 0 597.089 3.880 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408937875 1066626427 /nfs/dbraw/zinc/62/64/27/1066626427.db2.gz ACIPRGXEBRQANV-ITVYIQHWSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408937876 1066626356 /nfs/dbraw/zinc/62/63/56/1066626356.db2.gz ACIPRGXEBRQANV-KQTRJJGBSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408937877 1066236987 /nfs/dbraw/zinc/23/69/87/1066236987.db2.gz ACIPRGXEBRQANV-MHZVEPBHSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2OC)cc1 ZINC000408937878 1066626386 /nfs/dbraw/zinc/62/63/86/1066626386.db2.gz ACIPRGXEBRQANV-XWLJFQIRSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408937911 1066626404 /nfs/dbraw/zinc/62/64/04/1066626404.db2.gz AEMFYVFOOALXRN-DTJLTPKNSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408937914 1066626439 /nfs/dbraw/zinc/62/64/39/1066626439.db2.gz AEMFYVFOOALXRN-MHIZIFRVSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408937917 1066626466 /nfs/dbraw/zinc/62/64/66/1066626466.db2.gz AEMFYVFOOALXRN-QUOQSOQVSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408937919 1066626455 /nfs/dbraw/zinc/62/64/55/1066626455.db2.gz AEMFYVFOOALXRN-URYXAQPSSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C ZINC000408937927 1066626341 /nfs/dbraw/zinc/62/63/41/1066626341.db2.gz AFVKADBQIYEPDD-BAUNEYNOSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C ZINC000408937932 1066626460 /nfs/dbraw/zinc/62/64/60/1066626460.db2.gz AFVKADBQIYEPDD-BMYPTQDRSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C ZINC000408937935 1066626434 /nfs/dbraw/zinc/62/64/34/1066626434.db2.gz AFVKADBQIYEPDD-PWJLHDLSSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2C)c1C ZINC000408937939 1066236797 /nfs/dbraw/zinc/23/67/97/1066236797.db2.gz AFVKADBQIYEPDD-SQCTWOTDSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc(C#N)cc1 ZINC000408937941 1066237036 /nfs/dbraw/zinc/23/70/36/1066237036.db2.gz AFYUKDRYBLTUPB-JPANIFDASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc(C#N)cc1 ZINC000408937947 1066236850 /nfs/dbraw/zinc/23/68/50/1066236850.db2.gz AFYUKDRYBLTUPB-KDZYBDTBSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc(C#N)cc1 ZINC000408937949 1066626794 /nfs/dbraw/zinc/62/67/94/1066626794.db2.gz AFYUKDRYBLTUPB-LNVJTYIDSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc(C#N)cc1 ZINC000408937950 1066626816 /nfs/dbraw/zinc/62/68/16/1066626816.db2.gz AFYUKDRYBLTUPB-LYJQGQSASA-N 0 0 599.644 3.658 40 30 KHEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408937966 1066626851 /nfs/dbraw/zinc/62/68/51/1066626851.db2.gz RHKFKRCGVDYCAK-BZNKKWMXSA-N 0 0 676.529 3.994 40 30 KHEBRN C=CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408937969 1066626886 /nfs/dbraw/zinc/62/68/86/1066626886.db2.gz RHKFKRCGVDYCAK-TZPPZLRXSA-N 0 0 676.529 3.994 40 30 KHEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(C)C ZINC000408938459 1066625436 /nfs/dbraw/zinc/62/54/36/1066625436.db2.gz AKSUHYRKJYMALW-ABYXFGPGSA-N 0 0 584.670 3.641 40 30 KHEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(C)C ZINC000408938460 1066625624 /nfs/dbraw/zinc/62/56/24/1066625624.db2.gz AKSUHYRKJYMALW-AJIPUMCYSA-N 0 0 584.670 3.641 40 30 KHEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(C)C ZINC000408938461 1066625450 /nfs/dbraw/zinc/62/54/50/1066625450.db2.gz AKSUHYRKJYMALW-IYLMENJESA-N 0 0 584.670 3.641 40 30 KHEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(C)C ZINC000408938462 1066625570 /nfs/dbraw/zinc/62/55/70/1066625570.db2.gz AKSUHYRKJYMALW-MDPQHBEISA-N 0 0 584.670 3.641 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OC(C)C ZINC000408938467 1066626482 /nfs/dbraw/zinc/62/64/82/1066626482.db2.gz AMEWPWVSWIVRLY-BAAUNKPPSA-N 0 0 561.035 3.648 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OC(C)C ZINC000408938472 1066626423 /nfs/dbraw/zinc/62/64/23/1066626423.db2.gz AMEWPWVSWIVRLY-FAJJXVGLSA-N 0 0 561.035 3.648 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OC(C)C ZINC000408938474 1066626471 /nfs/dbraw/zinc/62/64/71/1066626471.db2.gz AMEWPWVSWIVRLY-OZZGVXJDSA-N 0 0 561.035 3.648 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OC(C)C ZINC000408938476 1066626326 /nfs/dbraw/zinc/62/63/26/1066626326.db2.gz AMEWPWVSWIVRLY-ROPFDBBHSA-N 0 0 561.035 3.648 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)C)c(OC)c1 ZINC000408938486 1066237583 /nfs/dbraw/zinc/23/75/83/1066237583.db2.gz ANNMGJDNGTWLJV-FQTPHSNDSA-N 0 0 682.512 3.608 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC ZINC000408938488 1066237415 /nfs/dbraw/zinc/23/74/15/1066237415.db2.gz KOZTVHCDGHZLNR-GZTJUZNOSA-N 0 0 500.292 3.754 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)C)c(OC)c1 ZINC000408938491 1066626416 /nfs/dbraw/zinc/62/64/16/1066626416.db2.gz ANNMGJDNGTWLJV-GIDJDQATSA-N 0 0 682.512 3.608 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)C)c(OC)c1 ZINC000408938494 1066626448 /nfs/dbraw/zinc/62/64/48/1066626448.db2.gz ANNMGJDNGTWLJV-PNPAMGJOSA-N 0 0 682.512 3.608 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)C)c(OC)c1 ZINC000408938495 1066626335 /nfs/dbraw/zinc/62/63/35/1066626335.db2.gz ANNMGJDNGTWLJV-SIRAEACFSA-N 0 0 682.512 3.608 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1OC ZINC000408939034 1066625609 /nfs/dbraw/zinc/62/56/09/1066625609.db2.gz SVXNRHAZAHIQHD-MJRUJHQZSA-N 0 0 534.634 3.553 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1OC ZINC000408939039 1066625652 /nfs/dbraw/zinc/62/56/52/1066625652.db2.gz SVXNRHAZAHIQHD-MLGNGQMDSA-N 0 0 534.634 3.553 40 30 KHEBRN CCOC(=O)c1ccc(COc2cccc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2)cc1 ZINC000408939048 1066235761 /nfs/dbraw/zinc/23/57/61/1066235761.db2.gz AXOUFQKIINWCQR-BXFIVHEPSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2cccc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2)cc1 ZINC000408939055 1066625506 /nfs/dbraw/zinc/62/55/06/1066625506.db2.gz AXOUFQKIINWCQR-GGIIRPMHSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2cccc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2)cc1 ZINC000408939059 1066625663 /nfs/dbraw/zinc/62/56/63/1066625663.db2.gz AXOUFQKIINWCQR-HGDGXWKJSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2cccc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2)cc1 ZINC000408939063 1066235796 /nfs/dbraw/zinc/23/57/96/1066235796.db2.gz AXOUFQKIINWCQR-XWJYHFIESA-N 0 0 646.697 3.963 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Br)c1 ZINC000408939345 1066625022 /nfs/dbraw/zinc/62/50/22/1066625022.db2.gz BETREFQMKAHXTR-BGINGSEISA-N 0 0 636.887 3.525 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Br)c1 ZINC000408939346 1066235807 /nfs/dbraw/zinc/23/58/07/1066235807.db2.gz BETREFQMKAHXTR-OOGLCOOISA-N 0 0 636.887 3.525 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Br)c1 ZINC000408939347 1066624789 /nfs/dbraw/zinc/62/47/89/1066624789.db2.gz BETREFQMKAHXTR-RCBWWDFLSA-N 0 0 636.887 3.525 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC#N)c(Br)c1 ZINC000408939348 1066625031 /nfs/dbraw/zinc/62/50/31/1066625031.db2.gz BETREFQMKAHXTR-XZHODTPBSA-N 0 0 636.887 3.525 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408939601 1066624912 /nfs/dbraw/zinc/62/49/12/1066624912.db2.gz BKZQATSAQUSNHD-AZNDEJHDSA-N 0 0 647.523 3.933 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408939604 1066624849 /nfs/dbraw/zinc/62/48/49/1066624849.db2.gz BKZQATSAQUSNHD-DNZCQGRGSA-N 0 0 647.523 3.933 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408939606 1066236250 /nfs/dbraw/zinc/23/62/50/1066236250.db2.gz BKZQATSAQUSNHD-HYEAQGIRSA-N 0 0 647.523 3.933 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408939609 1066236320 /nfs/dbraw/zinc/23/63/20/1066236320.db2.gz BKZQATSAQUSNHD-ZWVDOSCRSA-N 0 0 647.523 3.933 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408939612 1066624935 /nfs/dbraw/zinc/62/49/35/1066624935.db2.gz BLCKOTNWMSUOQJ-BAUNEYNOSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408939616 1066624972 /nfs/dbraw/zinc/62/49/72/1066624972.db2.gz BLCKOTNWMSUOQJ-BMYPTQDRSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408939619 1066236453 /nfs/dbraw/zinc/23/64/53/1066236453.db2.gz BLCKOTNWMSUOQJ-PWJLHDLSSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408939623 1066191653 /nfs/dbraw/zinc/19/16/53/1066191653.db2.gz BLCKOTNWMSUOQJ-SQCTWOTDSA-N 0 0 620.663 3.831 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000408939644 1066624896 /nfs/dbraw/zinc/62/48/96/1066624896.db2.gz BMHVRSKTLRIJCR-BVTFRONHSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000408939655 1066236389 /nfs/dbraw/zinc/23/63/89/1066236389.db2.gz BMHVRSKTLRIJCR-KJKYMQMDSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000408939658 1066236404 /nfs/dbraw/zinc/23/64/04/1066236404.db2.gz BMHVRSKTLRIJCR-OCXLSZSESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000408939661 1066624958 /nfs/dbraw/zinc/62/49/58/1066624958.db2.gz BMHVRSKTLRIJCR-QPFMNXPFSA-N 0 0 592.624 3.925 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408939980 1066236105 /nfs/dbraw/zinc/23/61/05/1066236105.db2.gz JBIGPZPJKQWKMN-JUTHHCEFSA-N 0 0 587.879 3.845 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408939988 1066624796 /nfs/dbraw/zinc/62/47/96/1066624796.db2.gz JBIGPZPJKQWKMN-VVOOWDFBSA-N 0 0 587.879 3.845 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408940311 1066236124 /nfs/dbraw/zinc/23/61/24/1066236124.db2.gz BUXJDKOSCHUWBU-AXFPXMMMSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408940319 1066624811 /nfs/dbraw/zinc/62/48/11/1066624811.db2.gz BUXJDKOSCHUWBU-DBNGTPQOSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408940325 1066624824 /nfs/dbraw/zinc/62/48/24/1066624824.db2.gz BUXJDKOSCHUWBU-RSADXTLYSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408940329 1066624946 /nfs/dbraw/zinc/62/49/46/1066624946.db2.gz BUXJDKOSCHUWBU-XNEOADJKSA-N 0 0 575.666 3.923 40 30 KHEBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n21 ZINC000408940426 1066624371 /nfs/dbraw/zinc/62/43/71/1066624371.db2.gz CBIHVCSSQILAKM-MFUBYVTQSA-N 0 0 582.476 3.860 40 30 KHEBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n21 ZINC000408940427 1066624221 /nfs/dbraw/zinc/62/42/21/1066624221.db2.gz CBIHVCSSQILAKM-RWTNITNYSA-N 0 0 582.476 3.860 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408940601 1066624168 /nfs/dbraw/zinc/62/41/68/1066624168.db2.gz CDPCTCBPIBKSBT-FHHGEURRSA-N 0 0 728.391 3.674 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408940607 1066624250 /nfs/dbraw/zinc/62/42/50/1066624250.db2.gz CDPCTCBPIBKSBT-RGDPDCODSA-N 0 0 728.391 3.674 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408940610 1066236278 /nfs/dbraw/zinc/23/62/78/1066236278.db2.gz CDPCTCBPIBKSBT-SLAATXNZSA-N 0 0 728.391 3.674 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408940614 1066624295 /nfs/dbraw/zinc/62/42/95/1066624295.db2.gz CDPCTCBPIBKSBT-VOUNGVGKSA-N 0 0 728.391 3.674 40 30 KHEBRN CCCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408940834 1066624355 /nfs/dbraw/zinc/62/43/55/1066624355.db2.gz CLTKNZZHPPRKNS-AWWYWVHFSA-N 0 0 584.670 3.785 40 30 KHEBRN CCCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408940836 1066236936 /nfs/dbraw/zinc/23/69/36/1066236936.db2.gz CLTKNZZHPPRKNS-DYFOLZOOSA-N 0 0 584.670 3.785 40 30 KHEBRN CCCCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408940839 1066624363 /nfs/dbraw/zinc/62/43/63/1066624363.db2.gz CLTKNZZHPPRKNS-JOCSINHGSA-N 0 0 584.670 3.785 40 30 KHEBRN CCCCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408940841 1066236904 /nfs/dbraw/zinc/23/69/04/1066236904.db2.gz CLTKNZZHPPRKNS-QTBQZPQPSA-N 0 0 584.670 3.785 40 30 KHEBRN C#CCOc1cc(Br)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408941062 1066624330 /nfs/dbraw/zinc/62/43/30/1066624330.db2.gz JOVCZWCTKYGWMN-CBRVFMNDSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1cc(Br)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408941064 1066624203 /nfs/dbraw/zinc/62/42/03/1066624203.db2.gz JOVCZWCTKYGWMN-NTZQMJGNSA-N 0 0 627.513 3.599 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2C)o1 ZINC000408941199 1066624180 /nfs/dbraw/zinc/62/41/80/1066624180.db2.gz CMYVLOQXQJOKPH-BKUHZTJKSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2C)o1 ZINC000408941203 1066624187 /nfs/dbraw/zinc/62/41/87/1066624187.db2.gz CMYVLOQXQJOKPH-HYUKBEJDSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2C)o1 ZINC000408941205 1066624277 /nfs/dbraw/zinc/62/42/77/1066624277.db2.gz CMYVLOQXQJOKPH-QNQDTQLZSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cccc(C(=O)OC)c2C)o1 ZINC000408941206 1066624346 /nfs/dbraw/zinc/62/43/46/1066624346.db2.gz CMYVLOQXQJOKPH-ZXRVEBJPSA-N 0 0 606.632 3.562 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408941310 1066236883 /nfs/dbraw/zinc/23/68/83/1066236883.db2.gz CTYKYGMQLCTOSY-ADODYWCFSA-N 0 0 635.899 3.635 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408941317 1066623699 /nfs/dbraw/zinc/62/36/99/1066623699.db2.gz CTYKYGMQLCTOSY-IFFKDRNLSA-N 0 0 635.899 3.635 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408941321 1066623808 /nfs/dbraw/zinc/62/38/08/1066623808.db2.gz CTYKYGMQLCTOSY-OZORCGAZSA-N 0 0 635.899 3.635 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408941324 1066236713 /nfs/dbraw/zinc/23/67/13/1066236713.db2.gz CTYKYGMQLCTOSY-SREUWLBMSA-N 0 0 635.899 3.635 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Cl)c(C(=O)OC)c2)o1 ZINC000408941407 1066623865 /nfs/dbraw/zinc/62/38/65/1066623865.db2.gz CWIIITVISJQQEA-JRJPBFLUSA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(Cl)c(C(=O)OC)c2)o1 ZINC000408941411 1066623669 /nfs/dbraw/zinc/62/36/69/1066623669.db2.gz CWIIITVISJQQEA-OMFMFKAISA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Cl)c(C(=O)OC)c2)o1 ZINC000408941415 1066237054 /nfs/dbraw/zinc/23/70/54/1066237054.db2.gz CWIIITVISJQQEA-PGMVMZDLSA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(Cl)c(C(=O)OC)c2)o1 ZINC000408941419 1066236832 /nfs/dbraw/zinc/23/68/32/1066236832.db2.gz CWIIITVISJQQEA-ZANGJWLZSA-N 0 0 627.050 3.907 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OC)c1OC ZINC000408941723 1066623820 /nfs/dbraw/zinc/62/38/20/1066623820.db2.gz KCVPMJUGUDSFRK-MJRUJHQZSA-N 0 0 564.660 3.561 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OC)c1OC ZINC000408941727 1066623718 /nfs/dbraw/zinc/62/37/18/1066623718.db2.gz KCVPMJUGUDSFRK-MLGNGQMDSA-N 0 0 564.660 3.561 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000408941802 1066623830 /nfs/dbraw/zinc/62/38/30/1066623830.db2.gz DCAVQOMAKXYROY-FACGKSROSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000408941805 1066623842 /nfs/dbraw/zinc/62/38/42/1066623842.db2.gz DCAVQOMAKXYROY-IVXWIHHPSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000408941808 1066622963 /nfs/dbraw/zinc/62/29/63/1066622963.db2.gz DCAVQOMAKXYROY-MQSIPVOJSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000408941812 1066623035 /nfs/dbraw/zinc/62/30/35/1066623035.db2.gz DCAVQOMAKXYROY-WTVUJOPASA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccccc2)c1C ZINC000408942059 1066623008 /nfs/dbraw/zinc/62/30/08/1066623008.db2.gz DJXDLJLLBHBVNU-GFGQXTMDSA-N 0 0 561.639 3.615 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccccc2)c1C ZINC000408942062 1066622931 /nfs/dbraw/zinc/62/29/31/1066622931.db2.gz DJXDLJLLBHBVNU-IVTKQEOZSA-N 0 0 561.639 3.615 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccccc2)c1C ZINC000408942064 1066622860 /nfs/dbraw/zinc/62/28/60/1066622860.db2.gz DJXDLJLLBHBVNU-PXEYIQBTSA-N 0 0 561.639 3.615 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccccc2)c1C ZINC000408942065 1066622993 /nfs/dbraw/zinc/62/29/93/1066622993.db2.gz DJXDLJLLBHBVNU-YFIDANDQSA-N 0 0 561.639 3.615 40 30 KHEBRN C#CCOc1c(I)cc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408942067 1066622881 /nfs/dbraw/zinc/62/28/81/1066622881.db2.gz DKCGEZJACJTPRG-AJGOVQJNSA-N 0 0 727.350 3.586 40 30 KHEBRN C#CCOc1c(I)cc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408942071 1066622956 /nfs/dbraw/zinc/62/29/56/1066622956.db2.gz DKCGEZJACJTPRG-PAMIDSDESA-N 0 0 727.350 3.586 40 30 KHEBRN C#CCOc1c(I)cc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408942073 1066191609 /nfs/dbraw/zinc/19/16/09/1066191609.db2.gz DKCGEZJACJTPRG-RXKYXHDOSA-N 0 0 727.350 3.586 40 30 KHEBRN C#CCOc1c(I)cc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408942074 1066622896 /nfs/dbraw/zinc/62/28/96/1066622896.db2.gz DKCGEZJACJTPRG-UALNODDKSA-N 0 0 727.350 3.586 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc(C#N)cc2)c1 ZINC000408942441 1066237564 /nfs/dbraw/zinc/23/75/64/1066237564.db2.gz DOJSSEMQFFBSOE-JPANIFDASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc(C#N)cc2)c1 ZINC000408942443 1066622901 /nfs/dbraw/zinc/62/29/01/1066622901.db2.gz DOJSSEMQFFBSOE-KDZYBDTBSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc(C#N)cc2)c1 ZINC000408942445 1066238368 /nfs/dbraw/zinc/23/83/68/1066238368.db2.gz DOJSSEMQFFBSOE-LNVJTYIDSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc(C#N)cc2)c1 ZINC000408942446 1066622974 /nfs/dbraw/zinc/62/29/74/1066622974.db2.gz DOJSSEMQFFBSOE-LYJQGQSASA-N 0 0 599.644 3.658 40 30 KHEBRN C=CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408942449 1066238190 /nfs/dbraw/zinc/23/81/90/1066238190.db2.gz DORVCWCLZUQENM-AAGWNSTHSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408942455 1066623002 /nfs/dbraw/zinc/62/30/02/1066623002.db2.gz DORVCWCLZUQENM-BFLMKNSRSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408942457 1066622887 /nfs/dbraw/zinc/62/28/87/1066622887.db2.gz DORVCWCLZUQENM-IRFUYVAMSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408942460 1066622939 /nfs/dbraw/zinc/62/29/39/1066622939.db2.gz DORVCWCLZUQENM-MSNSGGQWSA-N 0 0 633.496 3.543 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(C(C)C)c2ccccc12 ZINC000408942662 1066619450 /nfs/dbraw/zinc/61/94/50/1066619450.db2.gz DXTDQSKZNMMMSJ-FACGKSROSA-N 0 0 549.628 3.743 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(C(C)C)c2ccccc12 ZINC000408942668 1066238227 /nfs/dbraw/zinc/23/82/27/1066238227.db2.gz DXTDQSKZNMMMSJ-IVXWIHHPSA-N 0 0 549.628 3.743 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(C(C)C)c2ccccc12 ZINC000408942672 1066619419 /nfs/dbraw/zinc/61/94/19/1066619419.db2.gz DXTDQSKZNMMMSJ-MQSIPVOJSA-N 0 0 549.628 3.743 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(C(C)C)c2ccccc12 ZINC000408942675 1066619383 /nfs/dbraw/zinc/61/93/83/1066619383.db2.gz DXTDQSKZNMMMSJ-WTVUJOPASA-N 0 0 549.628 3.743 40 30 KHEBRN C#CCOc1c(I)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC ZINC000408942690 1066623026 /nfs/dbraw/zinc/62/30/26/1066623026.db2.gz ZYIKLODRTXVAKR-JAIQZWGSSA-N 0 0 510.244 3.964 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OCC#N)c(=O)n32)cc1OCC ZINC000408942732 1066622983 /nfs/dbraw/zinc/62/29/83/1066622983.db2.gz LBHLIQKMVQSOET-GSFLASDGSA-N 0 0 771.371 3.927 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)cc(I)c4OCC#N)c(=O)n32)cc1OCC ZINC000408942735 1066622947 /nfs/dbraw/zinc/62/29/47/1066622947.db2.gz LBHLIQKMVQSOET-PKGQOAHCSA-N 0 0 771.371 3.927 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408942837 1066622621 /nfs/dbraw/zinc/62/26/21/1066622621.db2.gz LKCVPIYTBXROLV-JIOFHBDDSA-N 0 0 597.487 3.590 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408942838 1066622571 /nfs/dbraw/zinc/62/25/71/1066622571.db2.gz LKCVPIYTBXROLV-VVIXHQMUSA-N 0 0 597.487 3.590 40 30 KHEBRN CCOc1ccc2ccccc2c1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408942992 1066622657 /nfs/dbraw/zinc/62/26/57/1066622657.db2.gz DYYOJTVIUXUHCJ-CXEJKDRBSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1ccc2ccccc2c1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408942997 1066622491 /nfs/dbraw/zinc/62/24/91/1066622491.db2.gz DYYOJTVIUXUHCJ-DTGKKMCQSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1ccc2ccccc2c1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408943001 1066622613 /nfs/dbraw/zinc/62/26/13/1066622613.db2.gz DYYOJTVIUXUHCJ-IFPDJJBRSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1ccc2ccccc2c1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408943004 1066622563 /nfs/dbraw/zinc/62/25/63/1066622563.db2.gz DYYOJTVIUXUHCJ-LEHBDLCNSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2C)o1 ZINC000408943111 1066622642 /nfs/dbraw/zinc/62/26/42/1066622642.db2.gz FCZKAYMHKPLNDX-BKUHZTJKSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2C)o1 ZINC000408943115 1066622626 /nfs/dbraw/zinc/62/26/26/1066622626.db2.gz FCZKAYMHKPLNDX-HYUKBEJDSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2C)o1 ZINC000408943117 1066622546 /nfs/dbraw/zinc/62/25/46/1066622546.db2.gz FCZKAYMHKPLNDX-QNQDTQLZSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2C)o1 ZINC000408943119 1066622535 /nfs/dbraw/zinc/62/25/35/1066622535.db2.gz FCZKAYMHKPLNDX-ZXRVEBJPSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408943534 1066618699 /nfs/dbraw/zinc/61/86/99/1066618699.db2.gz FWBDCEAYCZOCIG-AXFPXMMMSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408943546 1066618848 /nfs/dbraw/zinc/61/88/48/1066618848.db2.gz FWBDCEAYCZOCIG-DBNGTPQOSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408943550 1066618639 /nfs/dbraw/zinc/61/86/39/1066618639.db2.gz FWBDCEAYCZOCIG-RSADXTLYSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408943554 1066238301 /nfs/dbraw/zinc/23/83/01/1066238301.db2.gz FWBDCEAYCZOCIG-XNEOADJKSA-N 0 0 619.631 3.694 40 30 KHEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408943636 1066621869 /nfs/dbraw/zinc/62/18/69/1066621869.db2.gz LRHFFNKZABZVQF-DKOMQPSQSA-N 0 0 533.009 3.548 40 30 KHEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408943641 1066621882 /nfs/dbraw/zinc/62/18/82/1066621882.db2.gz LRHFFNKZABZVQF-IZBTWGKQSA-N 0 0 533.009 3.548 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408943676 1066621929 /nfs/dbraw/zinc/62/19/29/1066621929.db2.gz FZYKLQMKPHLOSO-BWABIVLKSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408943680 1066238392 /nfs/dbraw/zinc/23/83/92/1066238392.db2.gz FZYKLQMKPHLOSO-NUQBMMRGSA-N 0 0 633.496 3.543 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408943681 1066621953 /nfs/dbraw/zinc/62/19/53/1066621953.db2.gz LTOSEGQCIUVGRF-KXERKJKRSA-N 0 0 598.077 3.770 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408943683 1066238316 /nfs/dbraw/zinc/23/83/16/1066238316.db2.gz FZYKLQMKPHLOSO-UHSBKBDLSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408943685 1066238086 /nfs/dbraw/zinc/23/80/86/1066238086.db2.gz FZYKLQMKPHLOSO-VLBYHXBISA-N 0 0 633.496 3.543 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408943688 1066621991 /nfs/dbraw/zinc/62/19/91/1066621991.db2.gz LTOSEGQCIUVGRF-RVEICJNFSA-N 0 0 598.077 3.770 40 30 KHEBRN CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408943718 1066621354 /nfs/dbraw/zinc/62/13/54/1066621354.db2.gz GAZWNOAOINJRLD-AAGWNSTHSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408943720 1066621370 /nfs/dbraw/zinc/62/13/70/1066621370.db2.gz GAZWNOAOINJRLD-BFLMKNSRSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408943805 1066621842 /nfs/dbraw/zinc/62/18/42/1066621842.db2.gz METOWLFUXGRMSF-KXERKJKRSA-N 0 0 689.528 3.721 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC#N)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408943807 1066621964 /nfs/dbraw/zinc/62/19/64/1066621964.db2.gz METOWLFUXGRMSF-RVEICJNFSA-N 0 0 689.528 3.721 40 30 KHEBRN CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408944016 1066621433 /nfs/dbraw/zinc/62/14/33/1066621433.db2.gz GAZWNOAOINJRLD-IRFUYVAMSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408944017 1066621339 /nfs/dbraw/zinc/62/13/39/1066621339.db2.gz GAZWNOAOINJRLD-MSNSGGQWSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccccc2C#N)c1 ZINC000408944577 1066618839 /nfs/dbraw/zinc/61/88/39/1066618839.db2.gz GUORPYILICMPEC-JPANIFDASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccccc2C#N)c1 ZINC000408944580 1066618855 /nfs/dbraw/zinc/61/88/55/1066618855.db2.gz GUORPYILICMPEC-KDZYBDTBSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccccc2C#N)c1 ZINC000408944582 1066621244 /nfs/dbraw/zinc/62/12/44/1066621244.db2.gz GUORPYILICMPEC-LNVJTYIDSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccccc2C#N)c1 ZINC000408944585 1066621275 /nfs/dbraw/zinc/62/12/75/1066621275.db2.gz GUORPYILICMPEC-LYJQGQSASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc(C#N)cc1 ZINC000408944649 1066621289 /nfs/dbraw/zinc/62/12/89/1066621289.db2.gz GWKWDWLBRNKEGU-CHEGZEOASA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc(C#N)cc1 ZINC000408944655 1066621427 /nfs/dbraw/zinc/62/14/27/1066621427.db2.gz GWKWDWLBRNKEGU-KWUVGIHMSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc(C#N)cc1 ZINC000408944657 1066237652 /nfs/dbraw/zinc/23/76/52/1066237652.db2.gz GWKWDWLBRNKEGU-LKSGBPKWSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc(C#N)cc1 ZINC000408944658 1066621421 /nfs/dbraw/zinc/62/14/21/1066621421.db2.gz GWKWDWLBRNKEGU-OZMYSUSDSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408944920 1066621404 /nfs/dbraw/zinc/62/14/04/1066621404.db2.gz GZYZECOXTYTKMO-DTJLTPKNSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408944923 1066237455 /nfs/dbraw/zinc/23/74/55/1066237455.db2.gz GZYZECOXTYTKMO-MHIZIFRVSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408944926 1066621326 /nfs/dbraw/zinc/62/13/26/1066621326.db2.gz GZYZECOXTYTKMO-QUOQSOQVSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408944929 1066621386 /nfs/dbraw/zinc/62/13/86/1066621386.db2.gz GZYZECOXTYTKMO-URYXAQPSSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc(C(C)=O)c2)c1C ZINC000408945346 1066620814 /nfs/dbraw/zinc/62/08/14/1066620814.db2.gz HKKGXCQBTCYVMR-DTJLTPKNSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc(C(C)=O)c2)c1C ZINC000408945351 1066620657 /nfs/dbraw/zinc/62/06/57/1066620657.db2.gz HKKGXCQBTCYVMR-MHIZIFRVSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc(C(C)=O)c2)c1C ZINC000408945354 1066237488 /nfs/dbraw/zinc/23/74/88/1066237488.db2.gz HKKGXCQBTCYVMR-QUOQSOQVSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc(C(C)=O)c2)c1C ZINC000408945360 1066237633 /nfs/dbraw/zinc/23/76/33/1066237633.db2.gz HKKGXCQBTCYVMR-URYXAQPSSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)=O)cc2)c1C ZINC000408945399 1066620710 /nfs/dbraw/zinc/62/07/10/1066620710.db2.gz HMHNXFCRRVXLEW-DTJLTPKNSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)=O)cc2)c1C ZINC000408945401 1066237672 /nfs/dbraw/zinc/23/76/72/1066237672.db2.gz HMHNXFCRRVXLEW-MHIZIFRVSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)=O)cc2)c1C ZINC000408945403 1066620584 /nfs/dbraw/zinc/62/05/84/1066620584.db2.gz HMHNXFCRRVXLEW-QUOQSOQVSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C(C)=O)cc2)c1C ZINC000408945406 1066237747 /nfs/dbraw/zinc/23/77/47/1066237747.db2.gz HMHNXFCRRVXLEW-URYXAQPSSA-N 0 0 603.676 3.817 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccccc1F ZINC000408945545 1066620571 /nfs/dbraw/zinc/62/05/71/1066620571.db2.gz HSXGPNAGIKMXQZ-BVTFRONHSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccccc1F ZINC000408945548 1066620527 /nfs/dbraw/zinc/62/05/27/1066620527.db2.gz HSXGPNAGIKMXQZ-KJKYMQMDSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccccc1F ZINC000408945553 1066620787 /nfs/dbraw/zinc/62/07/87/1066620787.db2.gz HSXGPNAGIKMXQZ-OCXLSZSESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccccc1F ZINC000408945556 1066191749 /nfs/dbraw/zinc/19/17/49/1066191749.db2.gz HSXGPNAGIKMXQZ-QPFMNXPFSA-N 0 0 592.624 3.925 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408945714 1066237400 /nfs/dbraw/zinc/23/74/00/1066237400.db2.gz XXFOHRJHJGGNQX-FCYPAOMHSA-N 0 0 546.645 3.606 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408945716 1066620678 /nfs/dbraw/zinc/62/06/78/1066620678.db2.gz XXFOHRJHJGGNQX-KDSDTBODSA-N 0 0 546.645 3.606 40 30 KHEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408945912 1066620548 /nfs/dbraw/zinc/62/05/48/1066620548.db2.gz HWAMKHWARXNSBP-ANHJNJTBSA-N 0 0 603.470 3.534 40 30 KHEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408945917 1066620745 /nfs/dbraw/zinc/62/07/45/1066620745.db2.gz HWAMKHWARXNSBP-GCKFMUFSSA-N 0 0 603.470 3.534 40 30 KHEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408945922 1066620796 /nfs/dbraw/zinc/62/07/96/1066620796.db2.gz HWAMKHWARXNSBP-LAEJIHLVSA-N 0 0 603.470 3.534 40 30 KHEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408945926 1066620642 /nfs/dbraw/zinc/62/06/42/1066620642.db2.gz HWAMKHWARXNSBP-SIJOXOPISA-N 0 0 603.470 3.534 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408946094 1066619913 /nfs/dbraw/zinc/61/99/13/1066619913.db2.gz IDJSVUXTLJJXIL-ABYXFGPGSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408946096 1066620033 /nfs/dbraw/zinc/62/00/33/1066620033.db2.gz IDJSVUXTLJJXIL-AJIPUMCYSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408946098 1066620066 /nfs/dbraw/zinc/62/00/66/1066620066.db2.gz IDJSVUXTLJJXIL-IYLMENJESA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408946100 1066619930 /nfs/dbraw/zinc/61/99/30/1066619930.db2.gz IDJSVUXTLJJXIL-MDPQHBEISA-N 0 0 650.601 3.816 40 30 KHEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(I)cc1OC ZINC000408946103 1066619845 /nfs/dbraw/zinc/61/98/45/1066619845.db2.gz OWBIULOGLJDYEX-BZNKKWMXSA-N 0 0 676.529 3.994 40 30 KHEBRN C=CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(I)cc1OC ZINC000408946105 1066620023 /nfs/dbraw/zinc/62/00/23/1066620023.db2.gz OWBIULOGLJDYEX-TZPPZLRXSA-N 0 0 676.529 3.994 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Cl)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946187 1066620754 /nfs/dbraw/zinc/62/07/54/1066620754.db2.gz IFMLXVITHXAYJR-BYBGFGDRSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Cl)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946191 1066620042 /nfs/dbraw/zinc/62/00/42/1066620042.db2.gz IFMLXVITHXAYJR-HCDPAWRRSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946193 1066619959 /nfs/dbraw/zinc/61/99/59/1066619959.db2.gz IFMLXVITHXAYJR-MKVNXLJRSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408946195 1066620077 /nfs/dbraw/zinc/62/00/77/1066620077.db2.gz IFMLXVITHXAYJR-TZPCRGSESA-N 0 0 683.940 3.565 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408946333 1066620007 /nfs/dbraw/zinc/62/00/07/1066620007.db2.gz IOEWJZUUZYCQGA-QARYAGPDSA-N 0 0 611.514 3.979 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000408946335 1066239779 /nfs/dbraw/zinc/23/97/79/1066239779.db2.gz IOEWJZUUZYCQGA-ZSJKCPIUSA-N 0 0 611.514 3.979 40 30 KHEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408946657 1066239697 /nfs/dbraw/zinc/23/96/97/1066239697.db2.gz ZBQAKWBBVUHMHV-OVCLIPMQSA-N 0 0 513.309 3.692 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OCC#N ZINC000408946810 1066239711 /nfs/dbraw/zinc/23/97/11/1066239711.db2.gz IQFHDJXJERMERP-BTDJXBJFSA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OCC#N ZINC000408946814 1066619441 /nfs/dbraw/zinc/61/94/41/1066619441.db2.gz IQFHDJXJERMERP-CVZXNWBBSA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OCC#N ZINC000408946816 1066619301 /nfs/dbraw/zinc/61/93/01/1066619301.db2.gz IQFHDJXJERMERP-FHCJZJPSSA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OCC#N ZINC000408946817 1066619398 /nfs/dbraw/zinc/61/93/98/1066619398.db2.gz IQFHDJXJERMERP-MOLFJZQESA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000408946846 1066619426 /nfs/dbraw/zinc/61/94/26/1066619426.db2.gz ISNZOFUVLCYUAH-IQLUKOFUSA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000408946847 1066239529 /nfs/dbraw/zinc/23/95/29/1066239529.db2.gz ISNZOFUVLCYUAH-MKMZGFOXSA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000408946848 1066619434 /nfs/dbraw/zinc/61/94/34/1066619434.db2.gz ISNZOFUVLCYUAH-PWJUKLMESA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000408946849 1066619356 /nfs/dbraw/zinc/61/93/56/1066619356.db2.gz ISNZOFUVLCYUAH-XMJORCLOSA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC)c(OCC)c1 ZINC000408946864 1066619825 /nfs/dbraw/zinc/61/98/25/1066619825.db2.gz IVDCFJLYMDCMLT-AWQTYOERSA-N 0 0 682.512 3.609 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC)c(OCC)c1 ZINC000408946865 1066239626 /nfs/dbraw/zinc/23/96/26/1066239626.db2.gz IVDCFJLYMDCMLT-FZBVERTKSA-N 0 0 682.512 3.609 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC)c(OCC)c1 ZINC000408946866 1066620095 /nfs/dbraw/zinc/62/00/95/1066620095.db2.gz IVDCFJLYMDCMLT-QERSVGBZSA-N 0 0 682.512 3.609 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC)c(OCC)c1 ZINC000408946867 1066619946 /nfs/dbraw/zinc/61/99/46/1066619946.db2.gz IVDCFJLYMDCMLT-ZSGIBSASSA-N 0 0 682.512 3.609 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)c(OC)c1 ZINC000408947323 1066632885 /nfs/dbraw/zinc/63/28/85/1066632885.db2.gz JACDLCITKLZKII-OVQDWMBRSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)c(OC)c1 ZINC000408947325 1066633020 /nfs/dbraw/zinc/63/30/20/1066633020.db2.gz JACDLCITKLZKII-PMLJROQNSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)c(OC)c1 ZINC000408947327 1066632971 /nfs/dbraw/zinc/63/29/71/1066632971.db2.gz JACDLCITKLZKII-PQRROIADSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)c(OC)c1 ZINC000408947328 1066633052 /nfs/dbraw/zinc/63/30/52/1066633052.db2.gz JACDLCITKLZKII-UPKSDUNHSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2)cc1 ZINC000408947376 1066632936 /nfs/dbraw/zinc/63/29/36/1066632936.db2.gz JCDNCYBPGHGVKF-BXFIVHEPSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2)cc1 ZINC000408947378 1066239514 /nfs/dbraw/zinc/23/95/14/1066239514.db2.gz JCDNCYBPGHGVKF-GGIIRPMHSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2)cc1 ZINC000408947379 1066633031 /nfs/dbraw/zinc/63/30/31/1066633031.db2.gz JCDNCYBPGHGVKF-HGDGXWKJSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cc2)cc1 ZINC000408947380 1066633105 /nfs/dbraw/zinc/63/31/05/1066633105.db2.gz JCDNCYBPGHGVKF-XWJYHFIESA-N 0 0 646.697 3.963 40 30 KHEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc12 ZINC000408947425 1066632923 /nfs/dbraw/zinc/63/29/23/1066632923.db2.gz JGQFJZXOHFQGFX-CXEJKDRBSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc12 ZINC000408947426 1066239612 /nfs/dbraw/zinc/23/96/12/1066239612.db2.gz JGQFJZXOHFQGFX-DTGKKMCQSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc12 ZINC000408947427 1066633070 /nfs/dbraw/zinc/63/30/70/1066633070.db2.gz JGQFJZXOHFQGFX-IFPDJJBRSA-N 0 0 562.623 3.759 40 30 KHEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc12 ZINC000408947428 1066239579 /nfs/dbraw/zinc/23/95/79/1066239579.db2.gz JGQFJZXOHFQGFX-LEHBDLCNSA-N 0 0 562.623 3.759 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408947512 1066632313 /nfs/dbraw/zinc/63/23/13/1066632313.db2.gz QHDGITBCFQWCJU-JUTHHCEFSA-N 0 0 664.905 3.695 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408947526 1066239646 /nfs/dbraw/zinc/23/96/46/1066239646.db2.gz QHDGITBCFQWCJU-VVOOWDFBSA-N 0 0 664.905 3.695 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408947532 1066632948 /nfs/dbraw/zinc/63/29/48/1066632948.db2.gz QHPIXVRTBMBONJ-KXERKJKRSA-N 0 0 627.513 3.599 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408947533 1066633078 /nfs/dbraw/zinc/63/30/78/1066633078.db2.gz QHPIXVRTBMBONJ-RVEICJNFSA-N 0 0 627.513 3.599 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000408947606 1066633045 /nfs/dbraw/zinc/63/30/45/1066633045.db2.gz JJVYHIFCLMZDCQ-BWABIVLKSA-N 0 0 591.061 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000408947610 1066632985 /nfs/dbraw/zinc/63/29/85/1066632985.db2.gz JJVYHIFCLMZDCQ-NUQBMMRGSA-N 0 0 591.061 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000408947615 1066633061 /nfs/dbraw/zinc/63/30/61/1066633061.db2.gz JJVYHIFCLMZDCQ-UHSBKBDLSA-N 0 0 591.061 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000408947618 1066633009 /nfs/dbraw/zinc/63/30/09/1066633009.db2.gz JJVYHIFCLMZDCQ-VLBYHXBISA-N 0 0 591.061 3.658 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408947622 1066632962 /nfs/dbraw/zinc/63/29/62/1066632962.db2.gz JKALLSIRHVWXFK-CBYYHRJHSA-N 0 0 581.488 3.970 40 30 KHEBRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408947626 1066632908 /nfs/dbraw/zinc/63/29/08/1066632908.db2.gz JKALLSIRHVWXFK-PNZYDNNZSA-N 0 0 581.488 3.970 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000408947651 1066632453 /nfs/dbraw/zinc/63/24/53/1066632453.db2.gz JLFXBYOTKGDUTC-AWQTYOERSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000408947653 1066632274 /nfs/dbraw/zinc/63/22/74/1066632274.db2.gz JLFXBYOTKGDUTC-FZBVERTKSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000408947654 1066632337 /nfs/dbraw/zinc/63/23/37/1066632337.db2.gz JLFXBYOTKGDUTC-QERSVGBZSA-N 0 0 635.512 3.767 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000408947657 1066632367 /nfs/dbraw/zinc/63/23/67/1066632367.db2.gz JLFXBYOTKGDUTC-ZSGIBSASSA-N 0 0 635.512 3.767 40 30 KHEBRN C#CCn1c(C)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408947685 1066632288 /nfs/dbraw/zinc/63/22/88/1066632288.db2.gz QTRSHPWRSJUMDH-GSJFZTJBSA-N 0 0 555.656 3.712 40 30 KHEBRN C#CCn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408947688 1066632305 /nfs/dbraw/zinc/63/23/05/1066632305.db2.gz QTRSHPWRSJUMDH-ITQMKJDXSA-N 0 0 555.656 3.712 40 30 KHEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cccc2OC)cc1 ZINC000408947690 1066632393 /nfs/dbraw/zinc/63/23/93/1066632393.db2.gz JLUAPFBKLMNYJF-BURVURAQSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cccc2OC)cc1 ZINC000408947692 1066240435 /nfs/dbraw/zinc/24/04/35/1066240435.db2.gz JLUAPFBKLMNYJF-PSEOEGIZSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cccc2OC)cc1 ZINC000408947693 1066632428 /nfs/dbraw/zinc/63/24/28/1066632428.db2.gz JLUAPFBKLMNYJF-VJFMJDQPSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOC(=O)c1ccc(COc2c(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)cccc2OC)cc1 ZINC000408947695 1066632346 /nfs/dbraw/zinc/63/23/46/1066632346.db2.gz JLUAPFBKLMNYJF-WMOBNVFQSA-N 0 0 676.723 3.971 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000408947951 1066631647 /nfs/dbraw/zinc/63/16/47/1066631647.db2.gz JXTLFEMYBCAJCY-FACGKSROSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000408947952 1066240421 /nfs/dbraw/zinc/24/04/21/1066240421.db2.gz JXTLFEMYBCAJCY-IVXWIHHPSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000408947953 1066631723 /nfs/dbraw/zinc/63/17/23/1066631723.db2.gz JXTLFEMYBCAJCY-MQSIPVOJSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000408947954 1066631684 /nfs/dbraw/zinc/63/16/84/1066631684.db2.gz JXTLFEMYBCAJCY-WTVUJOPASA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408947955 1066631619 /nfs/dbraw/zinc/63/16/19/1066631619.db2.gz JXUBUHDZXWOZHY-AXFPXMMMSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408947956 1066632252 /nfs/dbraw/zinc/63/22/52/1066632252.db2.gz JXUBUHDZXWOZHY-DBNGTPQOSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408947957 1066632402 /nfs/dbraw/zinc/63/24/02/1066632402.db2.gz JXUBUHDZXWOZHY-RSADXTLYSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408947958 1066632377 /nfs/dbraw/zinc/63/23/77/1066632377.db2.gz JXUBUHDZXWOZHY-XNEOADJKSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccccc2)c1 ZINC000408947959 1066632418 /nfs/dbraw/zinc/63/24/18/1066632418.db2.gz JYJNEEKWBIGBFI-BEBFARHPSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccccc2)c1 ZINC000408947960 1066632387 /nfs/dbraw/zinc/63/23/87/1066632387.db2.gz JYJNEEKWBIGBFI-HTMWMYCBSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccccc2)c1 ZINC000408947961 1066632438 /nfs/dbraw/zinc/63/24/38/1066632438.db2.gz JYJNEEKWBIGBFI-TXZCRDSSSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccccc2)c1 ZINC000408947962 1066192144 /nfs/dbraw/zinc/19/21/44/1066192144.db2.gz JYJNEEKWBIGBFI-YTZGOHALSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Cl)c1Cl ZINC000408948103 1066240175 /nfs/dbraw/zinc/24/01/75/1066240175.db2.gz KDHYQWWMGKHAID-GXFOESRBSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Cl)c1Cl ZINC000408948106 1066240496 /nfs/dbraw/zinc/24/04/96/1066240496.db2.gz KDHYQWWMGKHAID-LFKJFJPFSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Cl)c1Cl ZINC000408948108 1066240345 /nfs/dbraw/zinc/24/03/45/1066240345.db2.gz KDHYQWWMGKHAID-PSZNHSDFSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Cl)c1Cl ZINC000408948111 1066192010 /nfs/dbraw/zinc/19/20/10/1066192010.db2.gz KDHYQWWMGKHAID-XFJWVXCQSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1F ZINC000408948197 1066631728 /nfs/dbraw/zinc/63/17/28/1066631728.db2.gz KHALDXKOZOSRNW-DPRDKXMKSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1F ZINC000408948202 1066631578 /nfs/dbraw/zinc/63/15/78/1066631578.db2.gz KHALDXKOZOSRNW-QQSWJJLXSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1F ZINC000408948449 1066631744 /nfs/dbraw/zinc/63/17/44/1066631744.db2.gz KHALDXKOZOSRNW-SPTQHHDASA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1F ZINC000408948450 1066240159 /nfs/dbraw/zinc/24/01/59/1066240159.db2.gz KHALDXKOZOSRNW-VWKYXUFQSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c(I)c1 ZINC000408948463 1066192002 /nfs/dbraw/zinc/19/20/02/1066192002.db2.gz KHWVVFSQOGEXQV-IQLUKOFUSA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC)c(I)c1 ZINC000408948464 1066631678 /nfs/dbraw/zinc/63/16/78/1066631678.db2.gz KHWVVFSQOGEXQV-MKMZGFOXSA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c(I)c1 ZINC000408948465 1066631736 /nfs/dbraw/zinc/63/17/36/1066631736.db2.gz KHWVVFSQOGEXQV-PWJUKLMESA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC)c(I)c1 ZINC000408948466 1066631702 /nfs/dbraw/zinc/63/17/02/1066631702.db2.gz KHWVVFSQOGEXQV-XMJORCLOSA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Oc2ccccc2)c1 ZINC000408948519 1066631656 /nfs/dbraw/zinc/63/16/56/1066631656.db2.gz KPBZHEBWNCORLO-AWWYWVHFSA-N 0 0 560.607 3.999 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Oc2ccccc2)c1 ZINC000408948521 1066631663 /nfs/dbraw/zinc/63/16/63/1066631663.db2.gz KPBZHEBWNCORLO-DYFOLZOOSA-N 0 0 560.607 3.999 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Oc2ccccc2)c1 ZINC000408948524 1066240280 /nfs/dbraw/zinc/24/02/80/1066240280.db2.gz KPBZHEBWNCORLO-JOCSINHGSA-N 0 0 560.607 3.999 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Oc2ccccc2)c1 ZINC000408948525 1066630765 /nfs/dbraw/zinc/63/07/65/1066630765.db2.gz KPBZHEBWNCORLO-QTBQZPQPSA-N 0 0 560.607 3.999 40 30 KHEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCC ZINC000408948550 1066240133 /nfs/dbraw/zinc/24/01/33/1066240133.db2.gz KRDWGXQNHJKUCP-NCTHQFDSSA-N 0 0 596.681 3.733 40 30 KHEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCC ZINC000408948553 1066630927 /nfs/dbraw/zinc/63/09/27/1066630927.db2.gz KRDWGXQNHJKUCP-UTEAYLJCSA-N 0 0 596.681 3.733 40 30 KHEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCC ZINC000408948558 1066630746 /nfs/dbraw/zinc/63/07/46/1066630746.db2.gz KRDWGXQNHJKUCP-WVKCNKFDSA-N 0 0 596.681 3.733 40 30 KHEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OCC)c1OCC ZINC000408948561 1066631695 /nfs/dbraw/zinc/63/16/95/1066631695.db2.gz KRDWGXQNHJKUCP-YUDDHSDOSA-N 0 0 596.681 3.733 40 30 KHEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408948601 1066240304 /nfs/dbraw/zinc/24/03/04/1066240304.db2.gz KTKXVSQQLZRNPY-FHHGEURRSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408948603 1066631638 /nfs/dbraw/zinc/63/16/38/1066631638.db2.gz KTKXVSQQLZRNPY-RGDPDCODSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408948606 1066240206 /nfs/dbraw/zinc/24/02/06/1066240206.db2.gz KTKXVSQQLZRNPY-SLAATXNZSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408948608 1066631742 /nfs/dbraw/zinc/63/17/42/1066631742.db2.gz KTKXVSQQLZRNPY-VOUNGVGKSA-N 0 0 683.940 3.565 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000408948611 1066192172 /nfs/dbraw/zinc/19/21/72/1066192172.db2.gz KTYUVMAXQYVELF-MKMNMNSVSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000408948613 1066631589 /nfs/dbraw/zinc/63/15/89/1066631589.db2.gz KTYUVMAXQYVELF-OKFFUVHGSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000408948615 1066240249 /nfs/dbraw/zinc/24/02/49/1066240249.db2.gz KTYUVMAXQYVELF-UWHXHJIVSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000408948617 1066631671 /nfs/dbraw/zinc/63/16/71/1066631671.db2.gz KTYUVMAXQYVELF-VZHUXCPHSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000408948817 1066240232 /nfs/dbraw/zinc/24/02/32/1066240232.db2.gz KXMMUDNVRGWFSZ-MIODOHMVSA-N 0 0 650.483 3.665 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000408948818 1066630865 /nfs/dbraw/zinc/63/08/65/1066630865.db2.gz KXMMUDNVRGWFSZ-OSTBNYECSA-N 0 0 650.483 3.665 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000408948820 1066630853 /nfs/dbraw/zinc/63/08/53/1066630853.db2.gz KXMMUDNVRGWFSZ-QHGCRHBNSA-N 0 0 650.483 3.665 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)C)c([N+](=O)[O-])c1 ZINC000408948822 1066630918 /nfs/dbraw/zinc/63/09/18/1066630918.db2.gz KXMMUDNVRGWFSZ-QOZUPEJLSA-N 0 0 650.483 3.665 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408948922 1066240190 /nfs/dbraw/zinc/24/01/90/1066240190.db2.gz RTAMUXHYKUDFNH-MJRUJHQZSA-N 0 0 641.540 3.989 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408948926 1066630964 /nfs/dbraw/zinc/63/09/64/1066630964.db2.gz RTAMUXHYKUDFNH-MLGNGQMDSA-N 0 0 641.540 3.989 40 30 KHEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408949000 1066241144 /nfs/dbraw/zinc/24/11/44/1066241144.db2.gz RVDJZOCJPGZIIL-APDQFWHYSA-N 0 0 543.645 3.956 40 30 KHEBRN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c2ccccc21 ZINC000408949004 1066630275 /nfs/dbraw/zinc/63/02/75/1066630275.db2.gz RVDJZOCJPGZIIL-WYRUCBEGSA-N 0 0 543.645 3.956 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OC)c1OCC ZINC000408949077 1066630943 /nfs/dbraw/zinc/63/09/43/1066630943.db2.gz RXMAYQRPHGTEOY-HNVNJYSWSA-N 0 0 578.687 3.951 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408949081 1066630799 /nfs/dbraw/zinc/63/07/99/1066630799.db2.gz LITSBWPCBUHFCH-ADODYWCFSA-N 0 0 591.448 3.526 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408949083 1066630977 /nfs/dbraw/zinc/63/09/77/1066630977.db2.gz LITSBWPCBUHFCH-IFFKDRNLSA-N 0 0 591.448 3.526 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OC)c1OCC ZINC000408949084 1066630973 /nfs/dbraw/zinc/63/09/73/1066630973.db2.gz RXMAYQRPHGTEOY-NIXSXDNJSA-N 0 0 578.687 3.951 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408949087 1066630903 /nfs/dbraw/zinc/63/09/03/1066630903.db2.gz LITSBWPCBUHFCH-OZORCGAZSA-N 0 0 591.448 3.526 40 30 KHEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Cl ZINC000408949091 1066630843 /nfs/dbraw/zinc/63/08/43/1066630843.db2.gz LITSBWPCBUHFCH-SREUWLBMSA-N 0 0 591.448 3.526 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000408949100 1066630890 /nfs/dbraw/zinc/63/08/90/1066630890.db2.gz LKNUYAWLZDRVDQ-CBXWFWILSA-N 0 0 622.650 3.934 40 30 KHEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408949102 1066630875 /nfs/dbraw/zinc/63/08/75/1066630875.db2.gz RYQNCVWXMXNOFU-QCHPHUCNSA-N 0 0 510.999 3.635 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000408949103 1066630953 /nfs/dbraw/zinc/63/09/53/1066630953.db2.gz LKNUYAWLZDRVDQ-MCOUPYJHSA-N 0 0 622.650 3.934 40 30 KHEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Cl)ccc1OC)C(C(=O)OC)=C(C)N=2 ZINC000408949105 1066240862 /nfs/dbraw/zinc/24/08/62/1066240862.db2.gz RYQNCVWXMXNOFU-VZIOXZNFSA-N 0 0 510.999 3.635 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000408949106 1066630777 /nfs/dbraw/zinc/63/07/77/1066630777.db2.gz LKNUYAWLZDRVDQ-UVTRAYBSSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000408949110 1066630255 /nfs/dbraw/zinc/63/02/55/1066630255.db2.gz LKNUYAWLZDRVDQ-VLHNTZRTSA-N 0 0 622.650 3.934 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408949660 1066192033 /nfs/dbraw/zinc/19/20/33/1066192033.db2.gz LRZUKQRQBISICU-ADODYWCFSA-N 0 0 776.366 3.981 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408949661 1066630312 /nfs/dbraw/zinc/63/03/12/1066630312.db2.gz LRZUKQRQBISICU-IFFKDRNLSA-N 0 0 776.366 3.981 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408949666 1066630237 /nfs/dbraw/zinc/63/02/37/1066630237.db2.gz LRZUKQRQBISICU-OZORCGAZSA-N 0 0 776.366 3.981 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408949669 1066630394 /nfs/dbraw/zinc/63/03/94/1066630394.db2.gz LRZUKQRQBISICU-SREUWLBMSA-N 0 0 776.366 3.981 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(C)n(CC#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408949924 1066630400 /nfs/dbraw/zinc/63/04/00/1066630400.db2.gz SWMNVVFBNHYRQZ-APDQFWHYSA-N 0 0 556.644 3.602 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(C)n(CC#N)c5ccccc45)c(=O)n32)cc1OCC ZINC000408949925 1066238853 /nfs/dbraw/zinc/23/88/53/1066238853.db2.gz SWMNVVFBNHYRQZ-WYRUCBEGSA-N 0 0 556.644 3.602 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)c(Cl)c2)o1 ZINC000408950032 1066630386 /nfs/dbraw/zinc/63/03/86/1066630386.db2.gz LWWNCSDLZWPJAJ-JJBDDTOMSA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)c(Cl)c2)o1 ZINC000408950036 1066630380 /nfs/dbraw/zinc/63/03/80/1066630380.db2.gz LWWNCSDLZWPJAJ-SLIKLEJFSA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)c(Cl)c2)o1 ZINC000408950039 1066630338 /nfs/dbraw/zinc/63/03/38/1066630338.db2.gz LWWNCSDLZWPJAJ-SWNQPADISA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)c(Cl)c2)o1 ZINC000408950046 1066238873 /nfs/dbraw/zinc/23/88/73/1066238873.db2.gz LWWNCSDLZWPJAJ-VKUCFLBNSA-N 0 0 627.050 3.907 40 30 KHEBRN C#CCOc1c(Cl)cc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408950201 1066238762 /nfs/dbraw/zinc/23/87/62/1066238762.db2.gz MDGRVGINYVUXCG-AJGOVQJNSA-N 0 0 591.448 3.526 40 30 KHEBRN C#CCOc1c(Cl)cc(Cl)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408950204 1066629496 /nfs/dbraw/zinc/62/94/96/1066629496.db2.gz MDGRVGINYVUXCG-PAMIDSDESA-N 0 0 591.448 3.526 40 30 KHEBRN C#CCOc1c(Cl)cc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408950207 1066630347 /nfs/dbraw/zinc/63/03/47/1066630347.db2.gz MDGRVGINYVUXCG-RXKYXHDOSA-N 0 0 591.448 3.526 40 30 KHEBRN C#CCOc1c(Cl)cc(Cl)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408950209 1066630419 /nfs/dbraw/zinc/63/04/19/1066630419.db2.gz MDGRVGINYVUXCG-UALNODDKSA-N 0 0 591.448 3.526 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408950632 1066629638 /nfs/dbraw/zinc/62/96/38/1066629638.db2.gz UBGFGVTYLOVIOZ-MFUBYVTQSA-N 0 0 541.025 3.644 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1OC ZINC000408950637 1066629440 /nfs/dbraw/zinc/62/94/40/1066629440.db2.gz UBGFGVTYLOVIOZ-RWTNITNYSA-N 0 0 541.025 3.644 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000408950673 1066629522 /nfs/dbraw/zinc/62/95/22/1066629522.db2.gz MMGIOAZBFBPGLR-FACGKSROSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000408950675 1066239040 /nfs/dbraw/zinc/23/90/40/1066239040.db2.gz MMGIOAZBFBPGLR-IVXWIHHPSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000408950679 1066629510 /nfs/dbraw/zinc/62/95/10/1066629510.db2.gz MMGIOAZBFBPGLR-MQSIPVOJSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000408950684 1066629556 /nfs/dbraw/zinc/62/95/56/1066629556.db2.gz MMGIOAZBFBPGLR-WTVUJOPASA-N 0 0 593.593 3.684 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408950924 1066241546 /nfs/dbraw/zinc/24/15/46/1066241546.db2.gz ULLOMCKNURAFSJ-HNVNJYSWSA-N 0 0 564.660 3.779 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408951198 1066241587 /nfs/dbraw/zinc/24/15/87/1066241587.db2.gz MWKSSDJDEFPUMZ-ADODYWCFSA-N 0 0 680.350 3.744 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408951200 1066241736 /nfs/dbraw/zinc/24/17/36/1066241736.db2.gz MWKSSDJDEFPUMZ-IFFKDRNLSA-N 0 0 680.350 3.744 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408951202 1066628815 /nfs/dbraw/zinc/62/88/15/1066628815.db2.gz MWKSSDJDEFPUMZ-OZORCGAZSA-N 0 0 680.350 3.744 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408951205 1066628786 /nfs/dbraw/zinc/62/87/86/1066628786.db2.gz MWKSSDJDEFPUMZ-SREUWLBMSA-N 0 0 680.350 3.744 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2C#N)cc1 ZINC000408951268 1066628858 /nfs/dbraw/zinc/62/88/58/1066628858.db2.gz MYSZHONYXJLFFK-GLQZKRMTSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2C#N)cc1 ZINC000408951272 1066628794 /nfs/dbraw/zinc/62/87/94/1066628794.db2.gz MYSZHONYXJLFFK-HNSSEULUSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2C#N)cc1 ZINC000408951274 1066628895 /nfs/dbraw/zinc/62/88/95/1066628895.db2.gz MYSZHONYXJLFFK-OBBYMFOESA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2C#N)cc1 ZINC000408951276 1066628887 /nfs/dbraw/zinc/62/88/87/1066628887.db2.gz MYSZHONYXJLFFK-UPQVRLDNSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000408951279 1066628902 /nfs/dbraw/zinc/62/89/02/1066628902.db2.gz MZJYXAQTFJJYCN-BJQZXVPBSA-N 0 0 648.669 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000408951282 1066192239 /nfs/dbraw/zinc/19/22/39/1066192239.db2.gz MZJYXAQTFJJYCN-NKKJQDBJSA-N 0 0 648.669 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000408951284 1066628921 /nfs/dbraw/zinc/62/89/21/1066628921.db2.gz MZJYXAQTFJJYCN-PRDLAHEZSA-N 0 0 648.669 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000408951287 1066629416 /nfs/dbraw/zinc/62/94/16/1066629416.db2.gz MZJYXAQTFJJYCN-VYWLEAHYSA-N 0 0 648.669 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC)c(I)c1 ZINC000408951316 1066628850 /nfs/dbraw/zinc/62/88/50/1066628850.db2.gz NBICFAKVFPBWOU-IQLUKOFUSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC)c(I)c1 ZINC000408951320 1066241531 /nfs/dbraw/zinc/24/15/31/1066241531.db2.gz NBICFAKVFPBWOU-MKMZGFOXSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC)c(I)c1 ZINC000408951324 1066628826 /nfs/dbraw/zinc/62/88/26/1066628826.db2.gz NBICFAKVFPBWOU-PWJUKLMESA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC)c(I)c1 ZINC000408951326 1066628944 /nfs/dbraw/zinc/62/89/44/1066628944.db2.gz NBICFAKVFPBWOU-XMJORCLOSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2C)o1 ZINC000408951338 1066241660 /nfs/dbraw/zinc/24/16/60/1066241660.db2.gz NCOGLDSUCYOZOQ-BKUHZTJKSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2C)o1 ZINC000408951342 1066628955 /nfs/dbraw/zinc/62/89/55/1066628955.db2.gz NCOGLDSUCYOZOQ-HYUKBEJDSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2C)o1 ZINC000408951346 1066628914 /nfs/dbraw/zinc/62/89/14/1066628914.db2.gz NCOGLDSUCYOZOQ-QNQDTQLZSA-N 0 0 606.632 3.562 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C(=O)OC)cc2C)o1 ZINC000408951350 1066242409 /nfs/dbraw/zinc/24/24/09/1066242409.db2.gz NCOGLDSUCYOZOQ-ZXRVEBJPSA-N 0 0 606.632 3.562 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408951549 1066628962 /nfs/dbraw/zinc/62/89/62/1066628962.db2.gz ULLOMCKNURAFSJ-NIXSXDNJSA-N 0 0 564.660 3.779 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408951630 1066242260 /nfs/dbraw/zinc/24/22/60/1066242260.db2.gz UTADOYKFBCLXKM-MJRUJHQZSA-N 0 0 688.540 3.831 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408951636 1066628074 /nfs/dbraw/zinc/62/80/74/1066628074.db2.gz UTADOYKFBCLXKM-MLGNGQMDSA-N 0 0 688.540 3.831 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(Cl)cccc1Cl ZINC000408951664 1066628083 /nfs/dbraw/zinc/62/80/83/1066628083.db2.gz NHFLQEPHAIWRGD-FZDRLKPYSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(Cl)cccc1Cl ZINC000408951666 1066242283 /nfs/dbraw/zinc/24/22/83/1066242283.db2.gz NHFLQEPHAIWRGD-GFSBBMITSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(Cl)cccc1Cl ZINC000408951670 1066628125 /nfs/dbraw/zinc/62/81/25/1066628125.db2.gz NHFLQEPHAIWRGD-JYOMVNRNSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(Cl)cccc1Cl ZINC000408951674 1066628058 /nfs/dbraw/zinc/62/80/58/1066628058.db2.gz NHFLQEPHAIWRGD-VEMIAUMBSA-N 0 0 537.400 3.514 40 30 KHEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c1 ZINC000408951693 1066242344 /nfs/dbraw/zinc/24/23/44/1066242344.db2.gz UVSSCLZZOCHIJX-QCHPHUCNSA-N 0 0 510.999 3.635 40 30 KHEBRN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)c1 ZINC000408951694 1066628807 /nfs/dbraw/zinc/62/88/07/1066628807.db2.gz UVSSCLZZOCHIJX-VZIOXZNFSA-N 0 0 510.999 3.635 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951719 1066628773 /nfs/dbraw/zinc/62/87/73/1066628773.db2.gz NIRBBOQOJQMFJC-FHHGEURRSA-N 0 0 775.391 3.516 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951726 1066628840 /nfs/dbraw/zinc/62/88/40/1066628840.db2.gz NIRBBOQOJQMFJC-RGDPDCODSA-N 0 0 775.391 3.516 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951731 1066242444 /nfs/dbraw/zinc/24/24/44/1066242444.db2.gz NIRBBOQOJQMFJC-SLAATXNZSA-N 0 0 775.391 3.516 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951735 1066242329 /nfs/dbraw/zinc/24/23/29/1066242329.db2.gz NIRBBOQOJQMFJC-VOUNGVGKSA-N 0 0 775.391 3.516 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000408951811 1066242317 /nfs/dbraw/zinc/24/23/17/1066242317.db2.gz NLVXBPJXDQWPSX-JABXYRPJSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000408951816 1066628109 /nfs/dbraw/zinc/62/81/09/1066628109.db2.gz NLVXBPJXDQWPSX-NEUFFVIJSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000408951820 1066628066 /nfs/dbraw/zinc/62/80/66/1066628066.db2.gz NLVXBPJXDQWPSX-SIFCRSQOSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000408951825 1066628184 /nfs/dbraw/zinc/62/81/84/1066628184.db2.gz NLVXBPJXDQWPSX-WRWQHVCMSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1C#N ZINC000408951828 1066628188 /nfs/dbraw/zinc/62/81/88/1066628188.db2.gz NMFTWUCLJBDHNX-CHEGZEOASA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1C#N ZINC000408951831 1066628194 /nfs/dbraw/zinc/62/81/94/1066628194.db2.gz NMFTWUCLJBDHNX-KWUVGIHMSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1C#N ZINC000408951836 1066628179 /nfs/dbraw/zinc/62/81/79/1066628179.db2.gz NMFTWUCLJBDHNX-LKSGBPKWSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1C#N ZINC000408951840 1066628137 /nfs/dbraw/zinc/62/81/37/1066628137.db2.gz NMFTWUCLJBDHNX-OZMYSUSDSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000408952037 1066627602 /nfs/dbraw/zinc/62/76/02/1066627602.db2.gz NTIUVBAPDAUWIW-KKKOCCAGSA-N 0 0 576.606 3.670 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000408952040 1066628079 /nfs/dbraw/zinc/62/80/79/1066628079.db2.gz NTIUVBAPDAUWIW-MKWOSOIVSA-N 0 0 576.606 3.670 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000408952044 1066628091 /nfs/dbraw/zinc/62/80/91/1066628091.db2.gz NTIUVBAPDAUWIW-MXKGGZRVSA-N 0 0 576.606 3.670 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000408952048 1066628170 /nfs/dbraw/zinc/62/81/70/1066628170.db2.gz NTIUVBAPDAUWIW-RCGXBEDCSA-N 0 0 576.606 3.670 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408952273 1066627733 /nfs/dbraw/zinc/62/77/33/1066627733.db2.gz NWRICNMQALLABU-CAIRVXPISA-N 0 0 618.643 3.515 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408952274 1066627715 /nfs/dbraw/zinc/62/77/15/1066627715.db2.gz NWRICNMQALLABU-CCNOKAPYSA-N 0 0 618.643 3.515 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408952275 1066627649 /nfs/dbraw/zinc/62/76/49/1066627649.db2.gz NWRICNMQALLABU-DSBZKBAXSA-N 0 0 618.643 3.515 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000408952276 1066627573 /nfs/dbraw/zinc/62/75/73/1066627573.db2.gz NWRICNMQALLABU-VYHQXTQGSA-N 0 0 618.643 3.515 40 30 KHEBRN C=CCOc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408952385 1066627638 /nfs/dbraw/zinc/62/76/38/1066627638.db2.gz OBASDTIQJBEUBJ-AWQTYOERSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408952388 1066627629 /nfs/dbraw/zinc/62/76/29/1066627629.db2.gz OBASDTIQJBEUBJ-FZBVERTKSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408952390 1066627729 /nfs/dbraw/zinc/62/77/29/1066627729.db2.gz OBASDTIQJBEUBJ-QERSVGBZSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCOc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408952393 1066627694 /nfs/dbraw/zinc/62/76/94/1066627694.db2.gz OBASDTIQJBEUBJ-ZSGIBSASSA-N 0 0 633.496 3.543 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1OCC ZINC000408952770 1066627660 /nfs/dbraw/zinc/62/76/60/1066627660.db2.gz VUBWZHZBAKTSSU-HNVNJYSWSA-N 0 0 548.661 3.943 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)ccc1OCC ZINC000408952773 1066627612 /nfs/dbraw/zinc/62/76/12/1066627612.db2.gz VUBWZHZBAKTSSU-NIXSXDNJSA-N 0 0 548.661 3.943 40 30 KHEBRN C=CCOc1ccc2ccccc2c1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952906 1066626775 /nfs/dbraw/zinc/62/67/75/1066626775.db2.gz OHLQEVWNVNORPJ-BEBFARHPSA-N 0 0 574.634 3.925 40 30 KHEBRN C=CCOc1ccc2ccccc2c1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952908 1066626867 /nfs/dbraw/zinc/62/68/67/1066626867.db2.gz OHLQEVWNVNORPJ-HTMWMYCBSA-N 0 0 574.634 3.925 40 30 KHEBRN C=CCOc1ccc2ccccc2c1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952910 1066626966 /nfs/dbraw/zinc/62/69/66/1066626966.db2.gz OHLQEVWNVNORPJ-TXZCRDSSSA-N 0 0 574.634 3.925 40 30 KHEBRN C=CCOc1ccc2ccccc2c1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408952912 1066626807 /nfs/dbraw/zinc/62/68/07/1066626807.db2.gz OHLQEVWNVNORPJ-YTZGOHALSA-N 0 0 574.634 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O[C@@H](C)CC)c(OCC)c1 ZINC000408952961 1066626825 /nfs/dbraw/zinc/62/68/25/1066626825.db2.gz OJZGHISCBHVCOF-DRSYLQFUSA-N 0 0 584.670 3.783 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O[C@H](C)CC)c(OCC)c1 ZINC000408952968 1066241023 /nfs/dbraw/zinc/24/10/23/1066241023.db2.gz OJZGHISCBHVCOF-JLPPWXDTSA-N 0 0 584.670 3.783 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O[C@@H](C)CC)c(OCC)c1 ZINC000408952971 1066241066 /nfs/dbraw/zinc/24/10/66/1066241066.db2.gz OJZGHISCBHVCOF-QICMTTGRSA-N 0 0 584.670 3.783 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O[C@H](C)CC)c(OCC)c1 ZINC000408952975 1066626861 /nfs/dbraw/zinc/62/68/61/1066626861.db2.gz OJZGHISCBHVCOF-RIDQIFEVSA-N 0 0 584.670 3.783 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C(C)(C)C)cc1 ZINC000408953020 1066627621 /nfs/dbraw/zinc/62/76/21/1066627621.db2.gz OLHVMDNYJYJYCI-CQDHJDPASA-N 0 0 524.618 3.505 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C(C)(C)C)cc1 ZINC000408953025 1066627679 /nfs/dbraw/zinc/62/76/79/1066627679.db2.gz OLHVMDNYJYJYCI-IBJKEBSZSA-N 0 0 524.618 3.505 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C(C)(C)C)cc1 ZINC000408953028 1066627700 /nfs/dbraw/zinc/62/77/00/1066627700.db2.gz OLHVMDNYJYJYCI-MBRLKINZSA-N 0 0 524.618 3.505 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C(C)(C)C)cc1 ZINC000408953032 1066627724 /nfs/dbraw/zinc/62/77/24/1066627724.db2.gz OLHVMDNYJYJYCI-XCELPGHSSA-N 0 0 524.618 3.505 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(I)c1 ZINC000408953569 1066637335 /nfs/dbraw/zinc/63/73/35/1066637335.db2.gz OQIDWMFVRYKCFF-JABXYRPJSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(I)c1 ZINC000408953572 1066240934 /nfs/dbraw/zinc/24/09/34/1066240934.db2.gz OQIDWMFVRYKCFF-NEUFFVIJSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(I)c1 ZINC000408953574 1066637362 /nfs/dbraw/zinc/63/73/62/1066637362.db2.gz OQIDWMFVRYKCFF-SIFCRSQOSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(I)c1 ZINC000408953576 1066240876 /nfs/dbraw/zinc/24/08/76/1066240876.db2.gz OQIDWMFVRYKCFF-WRWQHVCMSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1OCC ZINC000408953580 1066240996 /nfs/dbraw/zinc/24/09/96/1066240996.db2.gz WRYYDKCIYVTDJT-GSJFZTJBSA-N 0 0 569.639 3.871 40 30 KHEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4c(OCC#N)ccc5ccccc54)c(=O)n32)cc1OCC ZINC000408953583 1066637386 /nfs/dbraw/zinc/63/73/86/1066637386.db2.gz WRYYDKCIYVTDJT-ITQMKJDXSA-N 0 0 569.639 3.871 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OCC)c1OC ZINC000408953620 1066637296 /nfs/dbraw/zinc/63/72/96/1066637296.db2.gz WTLHMVWMRVTEJG-HNVNJYSWSA-N 0 0 578.687 3.951 40 30 KHEBRN C=CCc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc(OCC)c1OC ZINC000408953623 1066637275 /nfs/dbraw/zinc/63/72/75/1066637275.db2.gz WTLHMVWMRVTEJG-NIXSXDNJSA-N 0 0 578.687 3.951 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OC ZINC000408953625 1066637331 /nfs/dbraw/zinc/63/73/31/1066637331.db2.gz OVGCJSNDGRJDBV-KNCRFGIJSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OC ZINC000408953628 1066637343 /nfs/dbraw/zinc/63/73/43/1066637343.db2.gz OVGCJSNDGRJDBV-NCXTUDGVSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OC ZINC000408953632 1066637367 /nfs/dbraw/zinc/63/73/67/1066637367.db2.gz OVGCJSNDGRJDBV-NYHZCKRISA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OC ZINC000408953636 1066240947 /nfs/dbraw/zinc/24/09/47/1066240947.db2.gz OVGCJSNDGRJDBV-YOHHBYEBSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OC(C)C ZINC000408954082 1066241097 /nfs/dbraw/zinc/24/10/97/1066241097.db2.gz PEQIAMJDHUQYFL-BAAUNKPPSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OC(C)C ZINC000408954084 1066240889 /nfs/dbraw/zinc/24/08/89/1066240889.db2.gz PEQIAMJDHUQYFL-FAJJXVGLSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OC(C)C ZINC000408954086 1066637340 /nfs/dbraw/zinc/63/73/40/1066637340.db2.gz PEQIAMJDHUQYFL-OZZGVXJDSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OC(C)C ZINC000408954088 1066637357 /nfs/dbraw/zinc/63/73/57/1066637357.db2.gz PEQIAMJDHUQYFL-ROPFDBBHSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2C)cc1 ZINC000408954096 1066241113 /nfs/dbraw/zinc/24/11/13/1066241113.db2.gz PFISIDQZYDGXCG-GLQZKRMTSA-N 0 0 633.702 3.791 40 30 KHEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2C)cc1 ZINC000408954101 1066637348 /nfs/dbraw/zinc/63/73/48/1066637348.db2.gz PFISIDQZYDGXCG-HNSSEULUSA-N 0 0 633.702 3.791 40 30 KHEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2C)cc1 ZINC000408954103 1066637290 /nfs/dbraw/zinc/63/72/90/1066637290.db2.gz PFISIDQZYDGXCG-OBBYMFOESA-N 0 0 633.702 3.791 40 30 KHEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)c2C)cc1 ZINC000408954105 1066637353 /nfs/dbraw/zinc/63/73/53/1066637353.db2.gz PFISIDQZYDGXCG-UPQVRLDNSA-N 0 0 633.702 3.791 40 30 KHEBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n21 ZINC000408954281 1066636696 /nfs/dbraw/zinc/63/66/96/1066636696.db2.gz PIWYQCFEPYQEPQ-MFUBYVTQSA-N 0 0 582.476 3.860 40 30 KHEBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n21 ZINC000408954283 1066192050 /nfs/dbraw/zinc/19/20/50/1066192050.db2.gz PIWYQCFEPYQEPQ-RWTNITNYSA-N 0 0 582.476 3.860 40 30 KHEBRN C=CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954302 1066240981 /nfs/dbraw/zinc/24/09/81/1066240981.db2.gz PJTKMXYRITVKTB-AZGBJLFWSA-N 0 0 603.072 3.824 40 30 KHEBRN C=CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954305 1066192133 /nfs/dbraw/zinc/19/21/33/1066192133.db2.gz PJTKMXYRITVKTB-LZSVTYFGSA-N 0 0 603.072 3.824 40 30 KHEBRN C=CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954308 1066636682 /nfs/dbraw/zinc/63/66/82/1066636682.db2.gz PJTKMXYRITVKTB-QWPGXGNOSA-N 0 0 603.072 3.824 40 30 KHEBRN C=CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408954313 1066637319 /nfs/dbraw/zinc/63/73/19/1066637319.db2.gz PJTKMXYRITVKTB-VQUZJZKESA-N 0 0 603.072 3.824 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OC(C)C ZINC000408954316 1066241052 /nfs/dbraw/zinc/24/10/52/1066241052.db2.gz PKBWBMUQDWBBCF-FQTPHSNDSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OC(C)C ZINC000408954320 1066241080 /nfs/dbraw/zinc/24/10/80/1066241080.db2.gz PKBWBMUQDWBBCF-GIDJDQATSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OC(C)C ZINC000408954324 1066241515 /nfs/dbraw/zinc/24/15/15/1066241515.db2.gz PKBWBMUQDWBBCF-PNPAMGJOSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OC(C)C ZINC000408954328 1066241753 /nfs/dbraw/zinc/24/17/53/1066241753.db2.gz PKBWBMUQDWBBCF-SIRAEACFSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)=O ZINC000408954851 1066636604 /nfs/dbraw/zinc/63/66/04/1066636604.db2.gz PNRGLNJHGGPDLS-DEIHLEBESA-N 0 0 684.338 3.657 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)=O ZINC000408954853 1066241487 /nfs/dbraw/zinc/24/14/87/1066241487.db2.gz PNRGLNJHGGPDLS-MTKLRTOUSA-N 0 0 684.338 3.657 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)=O ZINC000408954856 1066636625 /nfs/dbraw/zinc/63/66/25/1066636625.db2.gz PNRGLNJHGGPDLS-MZTGXAHISA-N 0 0 684.338 3.657 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(Br)c1OC(C)=O ZINC000408954858 1066241766 /nfs/dbraw/zinc/24/17/66/1066241766.db2.gz PNRGLNJHGGPDLS-UMJLYPNESA-N 0 0 684.338 3.657 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408954932 1066241847 /nfs/dbraw/zinc/24/18/47/1066241847.db2.gz PTYBWSYRZLFALW-JDLHPZNBSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408954934 1066636690 /nfs/dbraw/zinc/63/66/90/1066636690.db2.gz PTYBWSYRZLFALW-LMLLFRCQSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408954936 1066636576 /nfs/dbraw/zinc/63/65/76/1066636576.db2.gz PTYBWSYRZLFALW-LXGKMXDOSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408954938 1066241866 /nfs/dbraw/zinc/24/18/66/1066241866.db2.gz PTYBWSYRZLFALW-NZWWBEKWSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc(F)cc1 ZINC000408954968 1066636155 /nfs/dbraw/zinc/63/61/55/1066636155.db2.gz PWCXWUMMQRBAHU-BVTFRONHSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc(F)cc1 ZINC000408954970 1066636657 /nfs/dbraw/zinc/63/66/57/1066636657.db2.gz PWCXWUMMQRBAHU-KJKYMQMDSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccc(F)cc1 ZINC000408954972 1066636668 /nfs/dbraw/zinc/63/66/68/1066636668.db2.gz PWCXWUMMQRBAHU-OCXLSZSESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccc(F)cc1 ZINC000408954973 1066241720 /nfs/dbraw/zinc/24/17/20/1066241720.db2.gz PWCXWUMMQRBAHU-QPFMNXPFSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000408955025 1066636653 /nfs/dbraw/zinc/63/66/53/1066636653.db2.gz PZUDRUNGBBEVRY-KKKOCCAGSA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000408955026 1066636566 /nfs/dbraw/zinc/63/65/66/1066636566.db2.gz PZUDRUNGBBEVRY-MKWOSOIVSA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000408955027 1066636672 /nfs/dbraw/zinc/63/66/72/1066636672.db2.gz PZUDRUNGBBEVRY-MXKGGZRVSA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000408955028 1066636588 /nfs/dbraw/zinc/63/65/88/1066636588.db2.gz PZUDRUNGBBEVRY-RCGXBEDCSA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c(Br)c1 ZINC000408955209 1066635983 /nfs/dbraw/zinc/63/59/83/1066635983.db2.gz QBEZCXKRAOQZCF-BGINGSEISA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c(Br)c1 ZINC000408955213 1066241785 /nfs/dbraw/zinc/24/17/85/1066241785.db2.gz QBEZCXKRAOQZCF-OOGLCOOISA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c(Br)c1 ZINC000408955215 1066636146 /nfs/dbraw/zinc/63/61/46/1066636146.db2.gz QBEZCXKRAOQZCF-RCBWWDFLSA-N 0 0 681.338 3.634 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c(Br)c1 ZINC000408955218 1066636162 /nfs/dbraw/zinc/63/61/62/1066636162.db2.gz QBEZCXKRAOQZCF-XZHODTPBSA-N 0 0 681.338 3.634 40 30 KHEBRN CCOC(=O)c1ccc(-c2ccc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)cc1 ZINC000408955296 1066636079 /nfs/dbraw/zinc/63/60/79/1066636079.db2.gz QIFASMHQKNMWKN-GZTRXLOHSA-N 0 0 606.632 3.644 40 30 KHEBRN CCOC(=O)c1ccc(-c2ccc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)cc1 ZINC000408955303 1066636009 /nfs/dbraw/zinc/63/60/09/1066636009.db2.gz QIFASMHQKNMWKN-MTEVWXFRSA-N 0 0 606.632 3.644 40 30 KHEBRN CCOC(=O)c1ccc(-c2ccc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)cc1 ZINC000408955307 1066636024 /nfs/dbraw/zinc/63/60/24/1066636024.db2.gz QIFASMHQKNMWKN-QVBOIKLESA-N 0 0 606.632 3.644 40 30 KHEBRN CCOC(=O)c1ccc(-c2ccc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)cc1 ZINC000408955312 1066636133 /nfs/dbraw/zinc/63/61/33/1066636133.db2.gz QIFASMHQKNMWKN-WVDLDQKOSA-N 0 0 606.632 3.644 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1 ZINC000408955526 1066636128 /nfs/dbraw/zinc/63/61/28/1066636128.db2.gz YIIJZSRCSWKNSD-QCHPHUCNSA-N 0 0 510.999 3.635 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc1 ZINC000408955532 1066635354 /nfs/dbraw/zinc/63/53/54/1066635354.db2.gz YIIJZSRCSWKNSD-VZIOXZNFSA-N 0 0 510.999 3.635 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccccc2F)c1 ZINC000408955545 1066635373 /nfs/dbraw/zinc/63/53/73/1066635373.db2.gz QPNMATXVHQCGHX-CXULKPBBSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccccc2F)c1 ZINC000408955549 1066635485 /nfs/dbraw/zinc/63/54/85/1066635485.db2.gz QPNMATXVHQCGHX-KKPDBWAYSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccccc2F)c1 ZINC000408955552 1066241503 /nfs/dbraw/zinc/24/15/03/1066241503.db2.gz QPNMATXVHQCGHX-MEKONTDUSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccccc2F)c1 ZINC000408955555 1066635434 /nfs/dbraw/zinc/63/54/34/1066635434.db2.gz QPNMATXVHQCGHX-NJAOJLFESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955863 1066634976 /nfs/dbraw/zinc/63/49/76/1066634976.db2.gz QXSPXUGQNFPVCE-CXULKPBBSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955865 1066242933 /nfs/dbraw/zinc/24/29/33/1066242933.db2.gz QXSPXUGQNFPVCE-KKPDBWAYSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955868 1066634900 /nfs/dbraw/zinc/63/49/00/1066634900.db2.gz QXSPXUGQNFPVCE-MEKONTDUSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408955870 1066634960 /nfs/dbraw/zinc/63/49/60/1066634960.db2.gz QXSPXUGQNFPVCE-NJAOJLFESA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000408955908 1066635389 /nfs/dbraw/zinc/63/53/89/1066635389.db2.gz QZHFQYHBOBWYNZ-CBXWFWILSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000408955911 1066635403 /nfs/dbraw/zinc/63/54/03/1066635403.db2.gz QZHFQYHBOBWYNZ-MCOUPYJHSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000408955914 1066635462 /nfs/dbraw/zinc/63/54/62/1066635462.db2.gz QZHFQYHBOBWYNZ-UVTRAYBSSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000408955917 1066635489 /nfs/dbraw/zinc/63/54/89/1066635489.db2.gz QZHFQYHBOBWYNZ-VLHNTZRTSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000408955920 1066635309 /nfs/dbraw/zinc/63/53/09/1066635309.db2.gz RAJIHPXQQBQGLO-CXULKPBBSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000408955923 1066635414 /nfs/dbraw/zinc/63/54/14/1066635414.db2.gz RAJIHPXQQBQGLO-KKPDBWAYSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000408955925 1066242894 /nfs/dbraw/zinc/24/28/94/1066242894.db2.gz RAJIHPXQQBQGLO-MEKONTDUSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000408955928 1066635493 /nfs/dbraw/zinc/63/54/93/1066635493.db2.gz RAJIHPXQQBQGLO-NJAOJLFESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(I)c1OC ZINC000408955960 1066242846 /nfs/dbraw/zinc/24/28/46/1066242846.db2.gz RBRGXDUGYXKOBW-KNCRFGIJSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(I)c1OC ZINC000408955962 1066635326 /nfs/dbraw/zinc/63/53/26/1066635326.db2.gz RBRGXDUGYXKOBW-NCXTUDGVSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(I)c1OC ZINC000408955965 1066635292 /nfs/dbraw/zinc/63/52/92/1066635292.db2.gz RBRGXDUGYXKOBW-NYHZCKRISA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(I)c1OC ZINC000408955968 1066635337 /nfs/dbraw/zinc/63/53/37/1066635337.db2.gz RBRGXDUGYXKOBW-YOHHBYEBSA-N 0 0 703.328 3.583 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2Cl)o1 ZINC000408956003 1066634990 /nfs/dbraw/zinc/63/49/90/1066634990.db2.gz RCFXWRGLXJJTOQ-JJBDDTOMSA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2Cl)o1 ZINC000408956006 1066634946 /nfs/dbraw/zinc/63/49/46/1066634946.db2.gz RCFXWRGLXJJTOQ-SLIKLEJFSA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2Cl)o1 ZINC000408956008 1066634865 /nfs/dbraw/zinc/63/48/65/1066634865.db2.gz RCFXWRGLXJJTOQ-SWNQPADISA-N 0 0 627.050 3.907 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C(=O)OC)ccc2Cl)o1 ZINC000408956011 1066634875 /nfs/dbraw/zinc/63/48/75/1066634875.db2.gz RCFXWRGLXJJTOQ-VKUCFLBNSA-N 0 0 627.050 3.907 40 30 KHEBRN C=CCOc1c(I)cc(I)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956028 1066634982 /nfs/dbraw/zinc/63/49/82/1066634982.db2.gz RCGZRBCMQVPBHL-AJGOVQJNSA-N 0 0 776.366 3.981 40 30 KHEBRN C=CCOc1c(I)cc(I)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956031 1066634988 /nfs/dbraw/zinc/63/49/88/1066634988.db2.gz RCGZRBCMQVPBHL-PAMIDSDESA-N 0 0 776.366 3.981 40 30 KHEBRN C=CCOc1c(I)cc(I)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956034 1066634950 /nfs/dbraw/zinc/63/49/50/1066634950.db2.gz RCGZRBCMQVPBHL-RXKYXHDOSA-N 0 0 776.366 3.981 40 30 KHEBRN C=CCOc1c(I)cc(I)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408956037 1066634923 /nfs/dbraw/zinc/63/49/23/1066634923.db2.gz RCGZRBCMQVPBHL-UALNODDKSA-N 0 0 776.366 3.981 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(Br)c1 ZINC000408956398 1066634163 /nfs/dbraw/zinc/63/41/63/1066634163.db2.gz RIYMVDUDAGIHQK-JABXYRPJSA-N 0 0 611.877 3.632 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(Br)c1 ZINC000408956400 1066634145 /nfs/dbraw/zinc/63/41/45/1066634145.db2.gz RIYMVDUDAGIHQK-NEUFFVIJSA-N 0 0 611.877 3.632 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(Br)c1 ZINC000408956401 1066634253 /nfs/dbraw/zinc/63/42/53/1066634253.db2.gz RIYMVDUDAGIHQK-SIFCRSQOSA-N 0 0 611.877 3.632 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(Br)c1 ZINC000408956403 1066243717 /nfs/dbraw/zinc/24/37/17/1066243717.db2.gz RIYMVDUDAGIHQK-WRWQHVCMSA-N 0 0 611.877 3.632 40 30 KHEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc2c(c1)OCO2 ZINC000408956575 1066634234 /nfs/dbraw/zinc/63/42/34/1066634234.db2.gz RMYSYIBUJLEBCV-BPFFVQPTSA-N 0 0 662.696 3.914 40 30 KHEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc2c(c1)OCO2 ZINC000408956577 1066634130 /nfs/dbraw/zinc/63/41/30/1066634130.db2.gz RMYSYIBUJLEBCV-IFYOQBCQSA-N 0 0 662.696 3.914 40 30 KHEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc2c(c1)OCO2 ZINC000408956579 1066634046 /nfs/dbraw/zinc/63/40/46/1066634046.db2.gz RMYSYIBUJLEBCV-WOUTZFJCSA-N 0 0 662.696 3.914 40 30 KHEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCc1ccc2c(c1)OCO2 ZINC000408956580 1066634115 /nfs/dbraw/zinc/63/41/15/1066634115.db2.gz RMYSYIBUJLEBCV-YLZVTFHLSA-N 0 0 662.696 3.914 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(I)c1OCC ZINC000408956718 1066633684 /nfs/dbraw/zinc/63/36/84/1066633684.db2.gz RRGQYLJHRUVDIR-IUEPJTOMSA-N 0 0 672.904 3.864 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(I)c1OCC ZINC000408956723 1066633732 /nfs/dbraw/zinc/63/37/32/1066633732.db2.gz RRGQYLJHRUVDIR-MRNXNEAZSA-N 0 0 672.904 3.864 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(I)c1OCC ZINC000408956727 1066633665 /nfs/dbraw/zinc/63/36/65/1066633665.db2.gz RRGQYLJHRUVDIR-QVZULWIFSA-N 0 0 672.904 3.864 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(I)c1OCC ZINC000408956729 1066633737 /nfs/dbraw/zinc/63/37/37/1066633737.db2.gz RRGQYLJHRUVDIR-WPZFTOAKSA-N 0 0 672.904 3.864 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408956780 1066634077 /nfs/dbraw/zinc/63/40/77/1066634077.db2.gz RVEBEQVSGFLGNM-AXFPXMMMSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408956783 1066243667 /nfs/dbraw/zinc/24/36/67/1066243667.db2.gz RVEBEQVSGFLGNM-DBNGTPQOSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408956785 1066634284 /nfs/dbraw/zinc/63/42/84/1066634284.db2.gz RVEBEQVSGFLGNM-RSADXTLYSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408956789 1066634177 /nfs/dbraw/zinc/63/41/77/1066634177.db2.gz RVEBEQVSGFLGNM-XNEOADJKSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1 ZINC000408957037 1066633771 /nfs/dbraw/zinc/63/37/71/1066633771.db2.gz SANQWKFNZNZDIE-DUPZMBEHSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1 ZINC000408957042 1066633648 /nfs/dbraw/zinc/63/36/48/1066633648.db2.gz SANQWKFNZNZDIE-JPVJTKNWSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1 ZINC000408957045 1066633701 /nfs/dbraw/zinc/63/37/01/1066633701.db2.gz SANQWKFNZNZDIE-OWQGGIICSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1 ZINC000408957050 1066633755 /nfs/dbraw/zinc/63/37/55/1066633755.db2.gz SANQWKFNZNZDIE-RDQAWEJRSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408957203 1066633676 /nfs/dbraw/zinc/63/36/76/1066633676.db2.gz SJTXJDCXEAIQCV-AXFPXMMMSA-N 0 0 591.665 3.623 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408957205 1066633742 /nfs/dbraw/zinc/63/37/42/1066633742.db2.gz SJTXJDCXEAIQCV-DBNGTPQOSA-N 0 0 591.665 3.623 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408957207 1066633725 /nfs/dbraw/zinc/63/37/25/1066633725.db2.gz SJTXJDCXEAIQCV-RSADXTLYSA-N 0 0 591.665 3.623 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000408957208 1066633756 /nfs/dbraw/zinc/63/37/56/1066633756.db2.gz SJTXJDCXEAIQCV-XNEOADJKSA-N 0 0 591.665 3.623 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408957234 1066633761 /nfs/dbraw/zinc/63/37/61/1066633761.db2.gz SMEHPONSFMAZID-AXFPXMMMSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408957236 1066633693 /nfs/dbraw/zinc/63/36/93/1066633693.db2.gz SMEHPONSFMAZID-DBNGTPQOSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408957238 1066633707 /nfs/dbraw/zinc/63/37/07/1066633707.db2.gz SMEHPONSFMAZID-RSADXTLYSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408957240 1066633745 /nfs/dbraw/zinc/63/37/45/1066633745.db2.gz SMEHPONSFMAZID-XNEOADJKSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C ZINC000408957309 1066644128 /nfs/dbraw/zinc/64/41/28/1066644128.db2.gz SQJHVHNKMSWOLH-DTJLTPKNSA-N 0 0 619.675 3.540 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C ZINC000408957311 1066243723 /nfs/dbraw/zinc/24/37/23/1066243723.db2.gz SQJHVHNKMSWOLH-MHIZIFRVSA-N 0 0 619.675 3.540 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C ZINC000408957313 1066243576 /nfs/dbraw/zinc/24/35/76/1066243576.db2.gz SQJHVHNKMSWOLH-QUOQSOQVSA-N 0 0 619.675 3.540 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(OC(C)=O)cc2)c1C ZINC000408957314 1066243534 /nfs/dbraw/zinc/24/35/34/1066243534.db2.gz SQJHVHNKMSWOLH-URYXAQPSSA-N 0 0 619.675 3.540 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccccc1C#N ZINC000408957323 1066243735 /nfs/dbraw/zinc/24/37/35/1066243735.db2.gz SRYGBXRLUQBTTF-JPANIFDASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccccc1C#N ZINC000408957325 1066644151 /nfs/dbraw/zinc/64/41/51/1066644151.db2.gz SRYGBXRLUQBTTF-KDZYBDTBSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccccc1C#N ZINC000408957326 1066644089 /nfs/dbraw/zinc/64/40/89/1066644089.db2.gz SRYGBXRLUQBTTF-LNVJTYIDSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccccc1C#N ZINC000408957328 1066644107 /nfs/dbraw/zinc/64/41/07/1066644107.db2.gz SRYGBXRLUQBTTF-LYJQGQSASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)C)c(OCC)c1 ZINC000408957362 1066644869 /nfs/dbraw/zinc/64/48/69/1066644869.db2.gz STRALQMKCONSIY-IAOUCNKTSA-N 0 0 696.539 3.998 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)C)c(OCC)c1 ZINC000408957365 1066644961 /nfs/dbraw/zinc/64/49/61/1066644961.db2.gz STRALQMKCONSIY-JOAPEWEFSA-N 0 0 696.539 3.998 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)C)c(OCC)c1 ZINC000408957367 1066644981 /nfs/dbraw/zinc/64/49/81/1066644981.db2.gz STRALQMKCONSIY-PZINVXRLSA-N 0 0 696.539 3.998 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)C)c(OCC)c1 ZINC000408957369 1066645138 /nfs/dbraw/zinc/64/51/38/1066645138.db2.gz STRALQMKCONSIY-VBEDBIOASA-N 0 0 696.539 3.998 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408957584 1066644281 /nfs/dbraw/zinc/64/42/81/1066644281.db2.gz TYSLOPPRDINHFI-KDPKLCKZSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408957586 1066644074 /nfs/dbraw/zinc/64/40/74/1066644074.db2.gz TYSLOPPRDINHFI-LYBDBYGXSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408957588 1066644169 /nfs/dbraw/zinc/64/41/69/1066644169.db2.gz TYSLOPPRDINHFI-OQBWMJACSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000408957590 1066644237 /nfs/dbraw/zinc/64/42/37/1066644237.db2.gz TYSLOPPRDINHFI-SWRZSAMHSA-N 0 0 593.593 3.684 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408957632 1066644259 /nfs/dbraw/zinc/64/42/59/1066644259.db2.gz UBCCZLCADJPNGT-ABYXFGPGSA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408957634 1066644135 /nfs/dbraw/zinc/64/41/35/1066644135.db2.gz UBCCZLCADJPNGT-AJIPUMCYSA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408957636 1066644178 /nfs/dbraw/zinc/64/41/78/1066644178.db2.gz UBCCZLCADJPNGT-IYLMENJESA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408957638 1066644249 /nfs/dbraw/zinc/64/42/49/1066644249.db2.gz UBCCZLCADJPNGT-MDPQHBEISA-N 0 0 606.636 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000408957656 1066644227 /nfs/dbraw/zinc/64/42/27/1066644227.db2.gz UBPBOTKXVOTTSO-PJEGCRLUSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000408957658 1066644198 /nfs/dbraw/zinc/64/41/98/1066644198.db2.gz UBPBOTKXVOTTSO-POTNBDKBSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000408957660 1066644216 /nfs/dbraw/zinc/64/42/16/1066644216.db2.gz UBPBOTKXVOTTSO-RSKXLVJXSA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000408957662 1066644113 /nfs/dbraw/zinc/64/41/13/1066644113.db2.gz UBPBOTKXVOTTSO-XQFWEPFESA-N 0 0 629.670 3.666 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OC(C)C ZINC000408957709 1066644188 /nfs/dbraw/zinc/64/41/88/1066644188.db2.gz UENQATRDTPRLDJ-FQTPHSNDSA-N 0 0 682.512 3.608 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OC(C)C ZINC000408957711 1066644057 /nfs/dbraw/zinc/64/40/57/1066644057.db2.gz UENQATRDTPRLDJ-GIDJDQATSA-N 0 0 682.512 3.608 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OC(C)C ZINC000408957713 1066644289 /nfs/dbraw/zinc/64/42/89/1066644289.db2.gz UENQATRDTPRLDJ-PNPAMGJOSA-N 0 0 682.512 3.608 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OC(C)C ZINC000408957715 1066243610 /nfs/dbraw/zinc/24/36/10/1066243610.db2.gz UENQATRDTPRLDJ-SIRAEACFSA-N 0 0 682.512 3.608 40 30 KHEBRN CCOC(=O)c1cccc(-c2ccc(C=NN[C@@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)c1 ZINC000408957748 1066643594 /nfs/dbraw/zinc/64/35/94/1066643594.db2.gz UGURMRKUXMCXDJ-FDGRNCMWSA-N 0 0 606.632 3.644 40 30 KHEBRN CCOC(=O)c1cccc(-c2ccc(C=NN[C@H](O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)c1 ZINC000408957749 1066643744 /nfs/dbraw/zinc/64/37/44/1066643744.db2.gz UGURMRKUXMCXDJ-NRRGTXEDSA-N 0 0 606.632 3.644 40 30 KHEBRN CCOC(=O)c1cccc(-c2ccc(C=NN[C@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)c1 ZINC000408957750 1066643715 /nfs/dbraw/zinc/64/37/15/1066643715.db2.gz UGURMRKUXMCXDJ-RGPBOXAPSA-N 0 0 606.632 3.644 40 30 KHEBRN CCOC(=O)c1cccc(-c2ccc(C=NN[C@@H](O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OCC)o2)c1 ZINC000408957813 1066643790 /nfs/dbraw/zinc/64/37/90/1066643790.db2.gz UGURMRKUXMCXDJ-XHUQXDCKSA-N 0 0 606.632 3.644 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(I)c1OCC ZINC000408957819 1066643800 /nfs/dbraw/zinc/64/38/00/1066643800.db2.gz UIAUATOOFVQXIY-IUEPJTOMSA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(I)c1OCC ZINC000408957821 1066643807 /nfs/dbraw/zinc/64/38/07/1066643807.db2.gz UIAUATOOFVQXIY-MRNXNEAZSA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(I)c1OCC ZINC000408957824 1066644272 /nfs/dbraw/zinc/64/42/72/1066644272.db2.gz UIAUATOOFVQXIY-QVZULWIFSA-N 0 0 717.355 3.973 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(I)c1OCC ZINC000408957826 1066243563 /nfs/dbraw/zinc/24/35/63/1066243563.db2.gz UIAUATOOFVQXIY-WPZFTOAKSA-N 0 0 717.355 3.973 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957880 1066243550 /nfs/dbraw/zinc/24/35/50/1066243550.db2.gz ULECYJKTSCNTTL-AZNDEJHDSA-N 0 0 694.523 3.775 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957882 1066643609 /nfs/dbraw/zinc/64/36/09/1066643609.db2.gz ULECYJKTSCNTTL-DNZCQGRGSA-N 0 0 694.523 3.775 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957884 1066643696 /nfs/dbraw/zinc/64/36/96/1066643696.db2.gz ULECYJKTSCNTTL-HYEAQGIRSA-N 0 0 694.523 3.775 40 30 KHEBRN C=CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408957886 1066243647 /nfs/dbraw/zinc/24/36/47/1066243647.db2.gz ULECYJKTSCNTTL-ZWVDOSCRSA-N 0 0 694.523 3.775 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000408957902 1066643627 /nfs/dbraw/zinc/64/36/27/1066643627.db2.gz UMAKQZAVUNXSHX-DONMARJCSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000408957903 1066243623 /nfs/dbraw/zinc/24/36/23/1066243623.db2.gz UMAKQZAVUNXSHX-KVMASGLQSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000408957904 1066643718 /nfs/dbraw/zinc/64/37/18/1066643718.db2.gz UMAKQZAVUNXSHX-RTRAWKNKSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000408957905 1066643619 /nfs/dbraw/zinc/64/36/19/1066643619.db2.gz UMAKQZAVUNXSHX-RUGNMWBTSA-N 0 0 607.620 3.992 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000408957932 1066643754 /nfs/dbraw/zinc/64/37/54/1066643754.db2.gz USRGXIIKHWETEE-JDLHPZNBSA-N 0 0 604.708 3.681 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000408957933 1066643673 /nfs/dbraw/zinc/64/36/73/1066643673.db2.gz USRGXIIKHWETEE-LMLLFRCQSA-N 0 0 604.708 3.681 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000408957934 1066643653 /nfs/dbraw/zinc/64/36/53/1066643653.db2.gz USRGXIIKHWETEE-LXGKMXDOSA-N 0 0 604.708 3.681 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(N(C)C)cc2)c1C ZINC000408957935 1066643768 /nfs/dbraw/zinc/64/37/68/1066643768.db2.gz USRGXIIKHWETEE-NZWWBEKWSA-N 0 0 604.708 3.681 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408957940 1066243756 /nfs/dbraw/zinc/24/37/56/1066243756.db2.gz UUTJXVLYCBATSB-DKDPXWANSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408957941 1066643723 /nfs/dbraw/zinc/64/37/23/1066643723.db2.gz UUTJXVLYCBATSB-NLOQQICJSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408957942 1066643784 /nfs/dbraw/zinc/64/37/84/1066643784.db2.gz UUTJXVLYCBATSB-VYJIONHGSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408957943 1066243689 /nfs/dbraw/zinc/24/36/89/1066243689.db2.gz UUTJXVLYCBATSB-WHAQVWSMSA-N 0 0 619.631 3.694 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408958088 1066243594 /nfs/dbraw/zinc/24/35/94/1066243594.db2.gz VBIYEBASSQUKIG-DKDPXWANSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408958089 1066243635 /nfs/dbraw/zinc/24/36/35/1066243635.db2.gz VBIYEBASSQUKIG-NLOQQICJSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408958090 1066642940 /nfs/dbraw/zinc/64/29/40/1066642940.db2.gz VBIYEBASSQUKIG-VYJIONHGSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408958091 1066642864 /nfs/dbraw/zinc/64/28/64/1066642864.db2.gz VBIYEBASSQUKIG-WHAQVWSMSA-N 0 0 575.666 3.923 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1 ZINC000408958107 1066243744 /nfs/dbraw/zinc/24/37/44/1066243744.db2.gz VFNCOQGREWJTTQ-CDGVLIKTSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1 ZINC000408958108 1066642854 /nfs/dbraw/zinc/64/28/54/1066642854.db2.gz VFNCOQGREWJTTQ-TVFFTBEISA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1 ZINC000408958109 1066642971 /nfs/dbraw/zinc/64/29/71/1066642971.db2.gz VFNCOQGREWJTTQ-XNVBXHQBSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccccc1 ZINC000408958110 1066642987 /nfs/dbraw/zinc/64/29/87/1066642987.db2.gz VFNCOQGREWJTTQ-XYRURYQLSA-N 0 0 604.660 3.795 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC ZINC000408958119 1066642907 /nfs/dbraw/zinc/64/29/07/1066642907.db2.gz VHLNJTRHRGTYEK-IUEPJTOMSA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC ZINC000408958120 1066642810 /nfs/dbraw/zinc/64/28/10/1066642810.db2.gz VHLNJTRHRGTYEK-MRNXNEAZSA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC ZINC000408958121 1066642900 /nfs/dbraw/zinc/64/29/00/1066642900.db2.gz VHLNJTRHRGTYEK-QVZULWIFSA-N 0 0 581.453 3.913 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OCC ZINC000408958122 1066642980 /nfs/dbraw/zinc/64/29/80/1066642980.db2.gz VHLNJTRHRGTYEK-WPZFTOAKSA-N 0 0 581.453 3.913 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408958147 1066642842 /nfs/dbraw/zinc/64/28/42/1066642842.db2.gz VJBIJNCAGFLICI-ADODYWCFSA-N 0 0 727.350 3.586 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408958148 1066643642 /nfs/dbraw/zinc/64/36/42/1066643642.db2.gz VJBIJNCAGFLICI-IFFKDRNLSA-N 0 0 727.350 3.586 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408958149 1066643704 /nfs/dbraw/zinc/64/37/04/1066643704.db2.gz VJBIJNCAGFLICI-OZORCGAZSA-N 0 0 727.350 3.586 40 30 KHEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408958150 1066643712 /nfs/dbraw/zinc/64/37/12/1066643712.db2.gz VJBIJNCAGFLICI-SREUWLBMSA-N 0 0 727.350 3.586 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408958267 1066642915 /nfs/dbraw/zinc/64/29/15/1066642915.db2.gz VKBROMSPUVFRLW-KKKOCCAGSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408958268 1066642873 /nfs/dbraw/zinc/64/28/73/1066642873.db2.gz VKBROMSPUVFRLW-MKWOSOIVSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408958269 1066642933 /nfs/dbraw/zinc/64/29/33/1066642933.db2.gz VKBROMSPUVFRLW-MXKGGZRVSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408958270 1066642959 /nfs/dbraw/zinc/64/29/59/1066642959.db2.gz VKBROMSPUVFRLW-RCGXBEDCSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000408958315 1066642833 /nfs/dbraw/zinc/64/28/33/1066642833.db2.gz VOIXGBHSXQRGPP-AAGWNSTHSA-N 0 0 552.559 3.606 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000408958316 1066642814 /nfs/dbraw/zinc/64/28/14/1066642814.db2.gz VOIXGBHSXQRGPP-BFLMKNSRSA-N 0 0 552.559 3.606 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000408958317 1066243765 /nfs/dbraw/zinc/24/37/65/1066243765.db2.gz VOIXGBHSXQRGPP-IRFUYVAMSA-N 0 0 552.559 3.606 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000408958318 1066642883 /nfs/dbraw/zinc/64/28/83/1066642883.db2.gz VOIXGBHSXQRGPP-MSNSGGQWSA-N 0 0 552.559 3.606 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000408958455 1066642431 /nfs/dbraw/zinc/64/24/31/1066642431.db2.gz VVNSLBZUOYAAHC-FQTPHSNDSA-N 0 0 591.061 3.656 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000408958456 1066642378 /nfs/dbraw/zinc/64/23/78/1066642378.db2.gz VVNSLBZUOYAAHC-GIDJDQATSA-N 0 0 591.061 3.656 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000408958457 1066642249 /nfs/dbraw/zinc/64/22/49/1066642249.db2.gz VVNSLBZUOYAAHC-PNPAMGJOSA-N 0 0 591.061 3.656 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000408958458 1066642389 /nfs/dbraw/zinc/64/23/89/1066642389.db2.gz VVNSLBZUOYAAHC-SIRAEACFSA-N 0 0 591.061 3.656 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408958485 1066642356 /nfs/dbraw/zinc/64/23/56/1066642356.db2.gz VZSMKFLKTBRWNV-BTVNKTNVSA-N 0 0 579.629 3.754 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408958486 1066642295 /nfs/dbraw/zinc/64/22/95/1066642295.db2.gz VZSMKFLKTBRWNV-OIRHUVTHSA-N 0 0 579.629 3.754 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408958487 1066244348 /nfs/dbraw/zinc/24/43/48/1066244348.db2.gz VZSMKFLKTBRWNV-UNNJPPRRSA-N 0 0 579.629 3.754 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408958488 1066642305 /nfs/dbraw/zinc/64/23/05/1066642305.db2.gz VZSMKFLKTBRWNV-XHINSQLVSA-N 0 0 579.629 3.754 40 30 KHEBRN C=CCn1c(C)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408958489 1066642425 /nfs/dbraw/zinc/64/24/25/1066642425.db2.gz WANYFIDDTNXXQO-CXEJKDRBSA-N 0 0 561.639 3.656 40 30 KHEBRN C=CCn1c(C)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408958490 1066642399 /nfs/dbraw/zinc/64/23/99/1066642399.db2.gz WANYFIDDTNXXQO-DTGKKMCQSA-N 0 0 561.639 3.656 40 30 KHEBRN C=CCn1c(C)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408958491 1066642315 /nfs/dbraw/zinc/64/23/15/1066642315.db2.gz WANYFIDDTNXXQO-IFPDJJBRSA-N 0 0 561.639 3.656 40 30 KHEBRN C=CCn1c(C)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408958492 1066244448 /nfs/dbraw/zinc/24/44/48/1066244448.db2.gz WANYFIDDTNXXQO-LEHBDLCNSA-N 0 0 561.639 3.656 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000408958533 1066642286 /nfs/dbraw/zinc/64/22/86/1066642286.db2.gz WFACPIPTXYCCAJ-FQTPHSNDSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000408958534 1066642266 /nfs/dbraw/zinc/64/22/66/1066642266.db2.gz WFACPIPTXYCCAJ-GIDJDQATSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000408958535 1066642371 /nfs/dbraw/zinc/64/23/71/1066642371.db2.gz WFACPIPTXYCCAJ-PNPAMGJOSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000408958536 1066642408 /nfs/dbraw/zinc/64/24/08/1066642408.db2.gz WFACPIPTXYCCAJ-SIRAEACFSA-N 0 0 635.512 3.765 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000408958537 1066642327 /nfs/dbraw/zinc/64/23/27/1066642327.db2.gz WFZLSMUKCPSYPS-DPRDKXMKSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000408958538 1066642363 /nfs/dbraw/zinc/64/23/63/1066642363.db2.gz WFZLSMUKCPSYPS-QQSWJJLXSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000408958539 1066642275 /nfs/dbraw/zinc/64/22/75/1066642275.db2.gz WFZLSMUKCPSYPS-SPTQHHDASA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000408958540 1066642336 /nfs/dbraw/zinc/64/23/36/1066642336.db2.gz WFZLSMUKCPSYPS-VWKYXUFQSA-N 0 0 622.650 3.934 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408958660 1066641540 /nfs/dbraw/zinc/64/15/40/1066641540.db2.gz WHESFUXZSRTVIZ-CBYYHRJHSA-N 0 0 581.488 3.970 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408958661 1066641425 /nfs/dbraw/zinc/64/14/25/1066641425.db2.gz WHESFUXZSRTVIZ-PNZYDNNZSA-N 0 0 581.488 3.970 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000408958666 1066641459 /nfs/dbraw/zinc/64/14/59/1066641459.db2.gz WHGXAFGJNZZSHC-BVTFRONHSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000408958667 1066641522 /nfs/dbraw/zinc/64/15/22/1066641522.db2.gz WHGXAFGJNZZSHC-KJKYMQMDSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000408958668 1066641499 /nfs/dbraw/zinc/64/14/99/1066641499.db2.gz WHGXAFGJNZZSHC-OCXLSZSESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000408958669 1066641596 /nfs/dbraw/zinc/64/15/96/1066641596.db2.gz WHGXAFGJNZZSHC-QPFMNXPFSA-N 0 0 592.624 3.925 40 30 KHEBRN C=CCOc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408958750 1066242393 /nfs/dbraw/zinc/24/23/93/1066242393.db2.gz WPODCLZFORZQPA-CBLWXDATSA-N 0 0 603.470 3.534 40 30 KHEBRN C=CCOc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408958751 1066638831 /nfs/dbraw/zinc/63/88/31/1066638831.db2.gz WPODCLZFORZQPA-DTKWVCNXSA-N 0 0 603.470 3.534 40 30 KHEBRN C=CCOc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408958752 1066638776 /nfs/dbraw/zinc/63/87/76/1066638776.db2.gz WPODCLZFORZQPA-FSQDEPJESA-N 0 0 603.470 3.534 40 30 KHEBRN C=CCOc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408958753 1066638658 /nfs/dbraw/zinc/63/86/58/1066638658.db2.gz WPODCLZFORZQPA-MCRYNVSCSA-N 0 0 603.470 3.534 40 30 KHEBRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC#N ZINC000408958774 1066638757 /nfs/dbraw/zinc/63/87/57/1066638757.db2.gz WSOISORXLOJAJD-PLQXQRLBSA-N 0 0 612.502 3.869 40 30 KHEBRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)ccc1OCC#N ZINC000408958775 1066638712 /nfs/dbraw/zinc/63/87/12/1066638712.db2.gz WSOISORXLOJAJD-VVNKCDPRSA-N 0 0 612.502 3.869 40 30 KHEBRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n21 ZINC000408958824 1066242245 /nfs/dbraw/zinc/24/22/45/1066242245.db2.gz WVBMSTVIWZTVLK-MFUBYVTQSA-N 0 0 582.476 3.860 40 30 KHEBRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n21 ZINC000408958825 1066242424 /nfs/dbraw/zinc/24/24/24/1066242424.db2.gz WVBMSTVIWZTVLK-RWTNITNYSA-N 0 0 582.476 3.860 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408958830 1066242294 /nfs/dbraw/zinc/24/22/94/1066242294.db2.gz WWKHREABLNWVKB-DTJLTPKNSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408958831 1066637959 /nfs/dbraw/zinc/63/79/59/1066637959.db2.gz WWKHREABLNWVKB-MHIZIFRVSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408958832 1066637978 /nfs/dbraw/zinc/63/79/78/1066637978.db2.gz WWKHREABLNWVKB-QUOQSOQVSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408958833 1066637928 /nfs/dbraw/zinc/63/79/28/1066637928.db2.gz WWKHREABLNWVKB-URYXAQPSSA-N 0 0 649.657 3.703 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(Br)c1 ZINC000408958834 1066637934 /nfs/dbraw/zinc/63/79/34/1066637934.db2.gz WXHWXQGTVKDVDZ-JABXYRPJSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(Br)c1 ZINC000408958835 1066242380 /nfs/dbraw/zinc/24/23/80/1066242380.db2.gz WXHWXQGTVKDVDZ-NEUFFVIJSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(Br)c1 ZINC000408958836 1066637951 /nfs/dbraw/zinc/63/79/51/1066637951.db2.gz WXHWXQGTVKDVDZ-SIFCRSQOSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(Br)c1 ZINC000408958837 1066637913 /nfs/dbraw/zinc/63/79/13/1066637913.db2.gz WXHWXQGTVKDVDZ-WRWQHVCMSA-N 0 0 656.328 3.741 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCC ZINC000408958850 1066637944 /nfs/dbraw/zinc/63/79/44/1066637944.db2.gz XCKTYIQXFQRPMY-IUEPJTOMSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCC ZINC000408958851 1066637967 /nfs/dbraw/zinc/63/79/67/1066637967.db2.gz XCKTYIQXFQRPMY-MRNXNEAZSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(I)c1OCC ZINC000408958852 1066637947 /nfs/dbraw/zinc/63/79/47/1066637947.db2.gz XCKTYIQXFQRPMY-QVZULWIFSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(I)c1OCC ZINC000408958853 1066637924 /nfs/dbraw/zinc/63/79/24/1066637924.db2.gz XCKTYIQXFQRPMY-WPZFTOAKSA-N 0 0 764.355 3.815 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408958862 1066637938 /nfs/dbraw/zinc/63/79/38/1066637938.db2.gz XDNPDWQEQYIUTK-BAUNEYNOSA-N 0 0 680.627 3.824 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408958863 1066637966 /nfs/dbraw/zinc/63/79/66/1066637966.db2.gz XDNPDWQEQYIUTK-BMYPTQDRSA-N 0 0 680.627 3.824 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408958864 1066638692 /nfs/dbraw/zinc/63/86/92/1066638692.db2.gz XDNPDWQEQYIUTK-PWJLHDLSSA-N 0 0 680.627 3.824 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000408958865 1066242235 /nfs/dbraw/zinc/24/22/35/1066242235.db2.gz XDNPDWQEQYIUTK-SQCTWOTDSA-N 0 0 680.627 3.824 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000408958920 1066242208 /nfs/dbraw/zinc/24/22/08/1066242208.db2.gz XIYZEJLFFNNFSX-JPANIFDASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000408958921 1066242352 /nfs/dbraw/zinc/24/23/52/1066242352.db2.gz XIYZEJLFFNNFSX-KDZYBDTBSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000408958922 1066641471 /nfs/dbraw/zinc/64/14/71/1066641471.db2.gz XIYZEJLFFNNFSX-LNVJTYIDSA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000408958923 1066641604 /nfs/dbraw/zinc/64/16/04/1066641604.db2.gz XIYZEJLFFNNFSX-LYJQGQSASA-N 0 0 599.644 3.658 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C(C)C)c(OC)cc1C ZINC000408958940 1066641569 /nfs/dbraw/zinc/64/15/69/1066641569.db2.gz XMWIEJAHFCAGHW-KDPKLCKZSA-N 0 0 554.644 3.648 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C(C)C)c(OC)cc1C ZINC000408958941 1066243103 /nfs/dbraw/zinc/24/31/03/1066243103.db2.gz XMWIEJAHFCAGHW-LYBDBYGXSA-N 0 0 554.644 3.648 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C(C)C)c(OC)cc1C ZINC000408958942 1066641452 /nfs/dbraw/zinc/64/14/52/1066641452.db2.gz XMWIEJAHFCAGHW-OQBWMJACSA-N 0 0 554.644 3.648 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C(C)C)c(OC)cc1C ZINC000408958943 1066641515 /nfs/dbraw/zinc/64/15/15/1066641515.db2.gz XMWIEJAHFCAGHW-SWRZSAMHSA-N 0 0 554.644 3.648 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000408958944 1066641560 /nfs/dbraw/zinc/64/15/60/1066641560.db2.gz XNCSJNPXBCLNPS-CBXWFWILSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000408958945 1066641443 /nfs/dbraw/zinc/64/14/43/1066641443.db2.gz XNCSJNPXBCLNPS-MCOUPYJHSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000408958946 1066641484 /nfs/dbraw/zinc/64/14/84/1066641484.db2.gz XNCSJNPXBCLNPS-UVTRAYBSSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000408958947 1066641588 /nfs/dbraw/zinc/64/15/88/1066641588.db2.gz XNCSJNPXBCLNPS-VLHNTZRTSA-N 0 0 622.650 3.934 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)C)c(Br)c1 ZINC000408959064 1066641007 /nfs/dbraw/zinc/64/10/07/1066641007.db2.gz YETNCXRDBDGQEC-BAAUNKPPSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)C)c(Br)c1 ZINC000408959065 1066242879 /nfs/dbraw/zinc/24/28/79/1066242879.db2.gz YETNCXRDBDGQEC-FAJJXVGLSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)C)c(Br)c1 ZINC000408959066 1066641012 /nfs/dbraw/zinc/64/10/12/1066641012.db2.gz YETNCXRDBDGQEC-OZZGVXJDSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)C)c(Br)c1 ZINC000408959067 1066640956 /nfs/dbraw/zinc/64/09/56/1066640956.db2.gz YETNCXRDBDGQEC-ROPFDBBHSA-N 0 0 605.486 3.757 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959092 1066641078 /nfs/dbraw/zinc/64/10/78/1066641078.db2.gz YGQTUBPFZLNYAX-BYBGFGDRSA-N 0 0 728.391 3.674 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959093 1066640996 /nfs/dbraw/zinc/64/09/96/1066640996.db2.gz YGQTUBPFZLNYAX-HCDPAWRRSA-N 0 0 728.391 3.674 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959094 1066640985 /nfs/dbraw/zinc/64/09/85/1066640985.db2.gz YGQTUBPFZLNYAX-MKVNXLJRSA-N 0 0 728.391 3.674 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959095 1066641103 /nfs/dbraw/zinc/64/11/03/1066641103.db2.gz YGQTUBPFZLNYAX-TZPCRGSESA-N 0 0 728.391 3.674 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)cc1Cl ZINC000408959266 1066637896 /nfs/dbraw/zinc/63/78/96/1066637896.db2.gz YZCGVTSJNKGYCF-MKMNMNSVSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)cc1Cl ZINC000408959267 1066243064 /nfs/dbraw/zinc/24/30/64/1066243064.db2.gz YZCGVTSJNKGYCF-OKFFUVHGSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)cc1Cl ZINC000408959268 1066637942 /nfs/dbraw/zinc/63/79/42/1066637942.db2.gz YZCGVTSJNKGYCF-UWHXHJIVSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)cc1Cl ZINC000408959269 1066637970 /nfs/dbraw/zinc/63/79/70/1066637970.db2.gz YZCGVTSJNKGYCF-VZHUXCPHSA-N 0 0 537.400 3.514 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000408959270 1066637974 /nfs/dbraw/zinc/63/79/74/1066637974.db2.gz YZELJIKEJZTJQZ-IIODOWMLSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000408959271 1066637930 /nfs/dbraw/zinc/63/79/30/1066637930.db2.gz YZELJIKEJZTJQZ-IUXDGYDMSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000408959272 1066637919 /nfs/dbraw/zinc/63/79/19/1066637919.db2.gz YZELJIKEJZTJQZ-NGDARHOSSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000408959273 1066637955 /nfs/dbraw/zinc/63/79/55/1066637955.db2.gz YZELJIKEJZTJQZ-NKYRLTDRSA-N 0 0 574.634 3.786 40 30 KHEBRN C#CCOc1c(Br)cc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959366 1066640188 /nfs/dbraw/zinc/64/01/88/1066640188.db2.gz ZKUOQMLLLGJDHX-AJGOVQJNSA-N 0 0 680.350 3.744 40 30 KHEBRN C#CCOc1c(Br)cc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959367 1066243030 /nfs/dbraw/zinc/24/30/30/1066243030.db2.gz ZKUOQMLLLGJDHX-PAMIDSDESA-N 0 0 680.350 3.744 40 30 KHEBRN C#CCOc1c(Br)cc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959368 1066640170 /nfs/dbraw/zinc/64/01/70/1066640170.db2.gz ZKUOQMLLLGJDHX-RXKYXHDOSA-N 0 0 680.350 3.744 40 30 KHEBRN C#CCOc1c(Br)cc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959369 1066640287 /nfs/dbraw/zinc/64/02/87/1066640287.db2.gz ZKUOQMLLLGJDHX-UALNODDKSA-N 0 0 680.350 3.744 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccccc1 ZINC000408959378 1066640245 /nfs/dbraw/zinc/64/02/45/1066640245.db2.gz ZLWYUHIONGYGNB-BEBFARHPSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OCc1ccccc1 ZINC000408959379 1066640330 /nfs/dbraw/zinc/64/03/30/1066640330.db2.gz ZLWYUHIONGYGNB-HTMWMYCBSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccccc1 ZINC000408959380 1066640294 /nfs/dbraw/zinc/64/02/94/1066640294.db2.gz ZLWYUHIONGYGNB-TXZCRDSSSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OCc1ccccc1 ZINC000408959381 1066640118 /nfs/dbraw/zinc/64/01/18/1066640118.db2.gz ZLWYUHIONGYGNB-YTZGOHALSA-N 0 0 574.634 3.786 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C ZINC000408959390 1066242990 /nfs/dbraw/zinc/24/29/90/1066242990.db2.gz ZMIBMTLPNDUPPV-DTJLTPKNSA-N 0 0 618.691 3.573 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C ZINC000408959391 1066641087 /nfs/dbraw/zinc/64/10/87/1066641087.db2.gz ZMIBMTLPNDUPPV-MHIZIFRVSA-N 0 0 618.691 3.573 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C ZINC000408959392 1066641035 /nfs/dbraw/zinc/64/10/35/1066641035.db2.gz ZMIBMTLPNDUPPV-QUOQSOQVSA-N 0 0 618.691 3.573 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C ZINC000408959393 1066640926 /nfs/dbraw/zinc/64/09/26/1066640926.db2.gz ZMIBMTLPNDUPPV-URYXAQPSSA-N 0 0 618.691 3.573 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OC ZINC000408959428 1066242865 /nfs/dbraw/zinc/24/28/65/1066242865.db2.gz ZPOMQKPBMDMOER-KNCRFGIJSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)cc(Cl)c1OC ZINC000408959429 1066243047 /nfs/dbraw/zinc/24/30/47/1066243047.db2.gz ZPOMQKPBMDMOER-NCXTUDGVSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OC ZINC000408959430 1066243008 /nfs/dbraw/zinc/24/30/08/1066243008.db2.gz ZPOMQKPBMDMOER-NYHZCKRISA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)cc(Cl)c1OC ZINC000408959431 1066192024 /nfs/dbraw/zinc/19/20/24/1066192024.db2.gz ZPOMQKPBMDMOER-YOHHBYEBSA-N 0 0 567.426 3.523 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408959438 1066641047 /nfs/dbraw/zinc/64/10/47/1066641047.db2.gz ZQUVSLCBLUBHMG-ABYXFGPGSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408959439 1066242920 /nfs/dbraw/zinc/24/29/20/1066242920.db2.gz ZQUVSLCBLUBHMG-AJIPUMCYSA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408959440 1066243086 /nfs/dbraw/zinc/24/30/86/1066243086.db2.gz ZQUVSLCBLUBHMG-IYLMENJESA-N 0 0 650.601 3.816 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408959441 1066641096 /nfs/dbraw/zinc/64/10/96/1066641096.db2.gz ZQUVSLCBLUBHMG-MDPQHBEISA-N 0 0 650.601 3.816 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccccc2C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408959442 1066641069 /nfs/dbraw/zinc/64/10/69/1066641069.db2.gz ZREPQKBAJPVNRI-BXFIVHEPSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccccc2C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408959443 1066640907 /nfs/dbraw/zinc/64/09/07/1066640907.db2.gz ZREPQKBAJPVNRI-GGIIRPMHSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccccc2C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408959444 1066640934 /nfs/dbraw/zinc/64/09/34/1066640934.db2.gz ZREPQKBAJPVNRI-HGDGXWKJSA-N 0 0 646.697 3.963 40 30 KHEBRN CCOC(=O)c1ccc(COc2ccccc2C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408959445 1066641060 /nfs/dbraw/zinc/64/10/60/1066641060.db2.gz ZREPQKBAJPVNRI-XWJYHFIESA-N 0 0 646.697 3.963 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)cc1 ZINC000408959462 1066640876 /nfs/dbraw/zinc/64/08/76/1066640876.db2.gz ZUIBHKHRJXTSDW-BVTFRONHSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)cc1 ZINC000408959463 1066242797 /nfs/dbraw/zinc/24/27/97/1066242797.db2.gz ZUIBHKHRJXTSDW-KJKYMQMDSA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCc2ccccc2F)cc1 ZINC000408959464 1066641022 /nfs/dbraw/zinc/64/10/22/1066641022.db2.gz ZUIBHKHRJXTSDW-OCXLSZSESA-N 0 0 592.624 3.925 40 30 KHEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCc2ccccc2F)cc1 ZINC000408959465 1066640973 /nfs/dbraw/zinc/64/09/73/1066640973.db2.gz ZUIBHKHRJXTSDW-QPFMNXPFSA-N 0 0 592.624 3.925 40 30 KHEBRN O=C(Cn1cc(/C=C2\SC(=Nc3ccccc3)N(CCCN3CCOCC3)C2=O)c2ccccc21)N1CCOCC1 ZINC000408960137 1066640125 /nfs/dbraw/zinc/64/01/25/1066640125.db2.gz CFIQUSAILDGGOZ-QBGQFJQCSA-N 0 0 573.719 3.826 40 30 KHEBRN CN(C)c1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C)cc1 ZINC000408960332 1066640314 /nfs/dbraw/zinc/64/03/14/1066640314.db2.gz DZPIGPBKYNFENZ-CLHPWSKPSA-N 0 0 503.628 3.800 40 30 KHEBRN CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408960469 1066243523 /nfs/dbraw/zinc/24/35/23/1066243523.db2.gz FZLMAKUYBRGELE-BOJSJVFISA-N 0 0 559.692 3.961 40 30 KHEBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc(OC)cc1 ZINC000408960944 1066640086 /nfs/dbraw/zinc/64/00/86/1066640086.db2.gz JZGYRWPUUYABAL-KSVGNYRWSA-N 0 0 534.638 3.759 40 30 KHEBRN CN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccc(N2CCOCC2)cc1 ZINC000408962161 1066244332 /nfs/dbraw/zinc/24/43/32/1066244332.db2.gz QNGYERHCBSEDNY-YHEUAIPESA-N 0 0 545.665 3.571 40 30 KHEBRN COC(=O)c1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C)cc1 ZINC000408962422 1066639396 /nfs/dbraw/zinc/63/93/96/1066639396.db2.gz RSZDHWGMRVKJMB-QAAICXCNSA-N 0 0 518.595 3.521 40 30 KHEBRN CCOC(=O)c1ccc(N=C2S/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N2C)cc1 ZINC000408962968 1066244282 /nfs/dbraw/zinc/24/42/82/1066244282.db2.gz WMQCYMKOSHPNAI-VYKPKEDGSA-N 0 0 532.622 3.911 40 30 KHEBRN COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)SC1=Nc1ccccc1 ZINC000408963253 1066244204 /nfs/dbraw/zinc/24/42/04/1066244204.db2.gz YLLNYORENIJEER-HRCCQFLKSA-N 0 0 504.612 3.751 40 30 KHEBRN COC(=O)COc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1I ZINC000408963272 1066244226 /nfs/dbraw/zinc/24/42/26/1066244226.db2.gz BFZSYECMABATQP-LICLKQGHSA-N 0 0 524.336 3.743 40 30 KHEBRN CCNC(=S)N/N=C/c1cc(I)c(OCCOc2ccccc2OC)c(OC)c1 ZINC000408963415 1066639334 /nfs/dbraw/zinc/63/93/34/1066639334.db2.gz BRKWTLCLBCDRNV-YDZHTSKRSA-N 0 0 529.400 3.584 40 30 KHEBRN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1 ZINC000408963506 1066244428 /nfs/dbraw/zinc/24/44/28/1066244428.db2.gz FGKUQOBABMVMTE-NLRVBDNBSA-N 0 0 537.602 3.799 40 30 KHEBRN Cc1ccc(OCCOc2ccccc2C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc1C ZINC000408963939 1066244301 /nfs/dbraw/zinc/24/43/01/1066244301.db2.gz KCQTUKOCWWGNRQ-MWAVMZGNSA-N 0 0 532.645 3.670 40 30 KHEBRN Cc1ccc(OCCOc2ccc(C=NN=c3cc(N4CCOCC4)[nH]c(N4CCOCC4)n3)cc2)cc1C ZINC000408964755 1066639415 /nfs/dbraw/zinc/63/94/15/1066639415.db2.gz ZSBBEVYIZSQMED-MWAVMZGNSA-N 0 0 532.645 3.670 40 30 KHEBRN COC(=O)COc1c(Br)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408965337 1066639427 /nfs/dbraw/zinc/63/94/27/1066639427.db2.gz KHUSOYCFEJSYGM-LICLKQGHSA-N 0 0 507.362 3.910 40 30 KHEBRN COC(=O)COc1c(I)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408965813 1066638736 /nfs/dbraw/zinc/63/87/36/1066638736.db2.gz MHEMBNMRCWUHPV-LICLKQGHSA-N 0 0 554.362 3.752 40 30 KHEBRN COC(=O)COc1cc(Br)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408967102 1066638825 /nfs/dbraw/zinc/63/88/25/1066638825.db2.gz SEPXBZUXYBPWMN-GIJQJNRQSA-N 0 0 507.362 3.910 40 30 KHEBRN Cc1cccc(OCCOCCOc2ccc([N+](=O)[O-])cc2C=NNc2cc(N(C)C)nc(N(C)C)n2)c1 ZINC000408969467 1066645722 /nfs/dbraw/zinc/64/57/22/1066645722.db2.gz NWQDSGWUUOYJSU-OVVQPSECSA-N 0 0 523.594 3.746 40 30 KHEBRN COc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)ccc1OCc1ccccc1Cl ZINC000408969665 1066244989 /nfs/dbraw/zinc/24/49/89/1066244989.db2.gz RSNJXGMZHXJXNJ-RDRPBHBLSA-N 0 0 539.036 3.837 40 30 KHEBRN CCOc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)ccc1OCc1ccc(F)cc1 ZINC000408969771 1066645867 /nfs/dbraw/zinc/64/58/67/1066645867.db2.gz UFHHADPIWJMGLM-NDZAJKAJSA-N 0 0 536.608 3.713 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC ZINC000408969832 1066645803 /nfs/dbraw/zinc/64/58/03/1066645803.db2.gz VHVRUTBYFOLWMB-ASSGYOTOSA-N 0 0 671.566 3.615 40 30 KHEBRN C#CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC ZINC000408969833 1066244899 /nfs/dbraw/zinc/24/48/99/1066244899.db2.gz VHVRUTBYFOLWMB-OGRZUZBBSA-N 0 0 671.566 3.615 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408969940 1066645697 /nfs/dbraw/zinc/64/56/97/1066645697.db2.gz XIDIDHSSANJOIU-JUNLCRQGSA-N 0 0 612.704 3.997 40 30 KHEBRN C#CCOc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408969941 1066645844 /nfs/dbraw/zinc/64/58/44/1066645844.db2.gz XIDIDHSSANJOIU-RMNLPTLGSA-N 0 0 612.704 3.997 40 30 KHEBRN Cc1ccccc1OCCOCCOc1ccc([N+](=O)[O-])cc1C=NNc1cc(N(C)C)nc(N(C)C)n1 ZINC000408970110 1066645619 /nfs/dbraw/zinc/64/56/19/1066645619.db2.gz AUMKYMHGOMMEDB-OVVQPSECSA-N 0 0 523.594 3.746 40 30 KHEBRN C=CCNC(=S)N/N=C/c1cc(I)c(OCCOc2cccc(OC)c2)c(OC)c1 ZINC000408970209 1066645688 /nfs/dbraw/zinc/64/56/88/1066645688.db2.gz CPQXDHIZOSAQTL-ZVHZXABRSA-N 0 0 541.411 3.750 40 30 KHEBRN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccccc1C=NNc1cc(N2CCCC2)nc(N2CCCC2)n1 ZINC000408970254 1066645852 /nfs/dbraw/zinc/64/58/52/1066645852.db2.gz DPAMISJZLUTKOB-NLRVBDNBSA-N 0 0 537.602 3.799 40 30 KHEBRN CCOc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)ccc1OCc1ccccc1F ZINC000408970504 1066645833 /nfs/dbraw/zinc/64/58/33/1066645833.db2.gz ANWYUSFVIVFKLE-NDZAJKAJSA-N 0 0 536.608 3.713 40 30 KHEBRN CCNC(=S)N/N=C/c1cc(I)c(OCCOc2cccc(OC)c2)c(OC)c1 ZINC000408970701 1066244840 /nfs/dbraw/zinc/24/48/40/1066244840.db2.gz CDPPIKMPBOSWIF-YDZHTSKRSA-N 0 0 529.400 3.584 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408970912 1066645791 /nfs/dbraw/zinc/64/57/91/1066645791.db2.gz AQEMSLLEQJYAHF-ASSGYOTOSA-N 0 0 641.540 3.607 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408970913 1066645656 /nfs/dbraw/zinc/64/56/56/1066645656.db2.gz AQEMSLLEQJYAHF-OGRZUZBBSA-N 0 0 641.540 3.607 40 30 KHEBRN Fc1ccc(COc2ccc(Cl)cc2C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc1 ZINC000408971168 1066645070 /nfs/dbraw/zinc/64/50/70/1066645070.db2.gz NHZOQSGNUZGUIB-STBIYBPSSA-N 0 0 527.000 3.967 40 30 KHEBRN 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ZINC000408973109 1066644847 /nfs/dbraw/zinc/64/48/47/1066644847.db2.gz YUEQMLSIOWYWFA-MWAVMZGNSA-N 0 0 532.645 3.670 40 30 KHEBRN COc1cc(C=NNc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)cc(OC)c1OC(C)=O ZINC000408974841 1066647135 /nfs/dbraw/zinc/64/71/35/1066647135.db2.gz HJDGVYSRKCQTPD-QDTIIGTASA-N 0 0 620.892 3.987 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)c(OC)c1 ZINC000408976966 1066646378 /nfs/dbraw/zinc/64/63/78/1066646378.db2.gz HHIBGMWAOPNGJE-ASZNLBCTSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)c(OC)c1 ZINC000408976967 1066646487 /nfs/dbraw/zinc/64/64/87/1066646487.db2.gz HHIBGMWAOPNGJE-YNMQQHPQSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3cc(OC)c(OC(C)=O)c(OC)c3)n2)cc1 ZINC000408977527 1066244854 /nfs/dbraw/zinc/24/48/54/1066244854.db2.gz WLDTYIVNNBVNGX-CCVNUDIWSA-N 0 0 533.545 3.639 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408977575 1066654249 /nfs/dbraw/zinc/65/42/49/1066654249.db2.gz XIDGLIGSSLORKU-IVNHJSRESA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408977578 1066244930 /nfs/dbraw/zinc/24/49/30/1066244930.db2.gz XIDGLIGSSLORKU-PBMMVTTKSA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408977667 1066245000 /nfs/dbraw/zinc/24/50/00/1066245000.db2.gz XQDHRNVEYGCGKB-IVNHJSRESA-N 0 0 504.608 3.762 40 30 KHEBRN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408977670 1066245005 /nfs/dbraw/zinc/24/50/05/1066245005.db2.gz XQDHRNVEYGCGKB-PBMMVTTKSA-N 0 0 504.608 3.762 40 30 KHEBRN Cc1cc(I)cc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1O ZINC000408977865 1066654130 /nfs/dbraw/zinc/65/41/30/1066654130.db2.gz YPDDOHLAOHQBBJ-OEAKJJBVSA-N 0 0 521.407 3.917 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408978669 1066654218 /nfs/dbraw/zinc/65/42/18/1066654218.db2.gz AIULLOHUVBJOPR-KUSDHMTMSA-N 0 0 610.688 3.973 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408978670 1066246323 /nfs/dbraw/zinc/24/63/23/1066246323.db2.gz AIULLOHUVBJOPR-POKSHJSXSA-N 0 0 610.688 3.973 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408979661 1066653579 /nfs/dbraw/zinc/65/35/79/1066653579.db2.gz RPAAFJNNECGVLZ-PKYOQBLNSA-N 0 0 596.665 3.802 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408979664 1066653508 /nfs/dbraw/zinc/65/35/08/1066653508.db2.gz RPAAFJNNECGVLZ-USDTVRPUSA-N 0 0 596.665 3.802 40 30 KHEBRN COc1cc(C=NNc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)c(Br)cc1OC(C)=O ZINC000408980079 1066246394 /nfs/dbraw/zinc/24/63/94/1066246394.db2.gz UMKKADMEPDNTAF-UVHMKAGCSA-N 0 0 590.866 3.978 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408980544 1066245637 /nfs/dbraw/zinc/24/56/37/1066245637.db2.gz FMVNTJFSPABXGO-LBLGWMPZSA-N 0 0 610.688 3.973 40 30 KHEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408980545 1066652918 /nfs/dbraw/zinc/65/29/18/1066652918.db2.gz FMVNTJFSPABXGO-ZUXOAJPSSA-N 0 0 610.688 3.973 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccccc1 ZINC000408980608 1066652840 /nfs/dbraw/zinc/65/28/40/1066652840.db2.gz GBBRMBJLTYQYGB-DWAVHZDUSA-N 0 0 521.598 3.838 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccccc1 ZINC000408980609 1066652910 /nfs/dbraw/zinc/65/29/10/1066652910.db2.gz GBBRMBJLTYQYGB-OCKNXMHGSA-N 0 0 521.598 3.838 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408981299 1066652181 /nfs/dbraw/zinc/65/21/81/1066652181.db2.gz ANKCXOBKZBKHAL-HRLSHZPLSA-N 0 0 550.636 3.956 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408981302 1066652279 /nfs/dbraw/zinc/65/22/79/1066652279.db2.gz ANKCXOBKZBKHAL-RWDZFFNTSA-N 0 0 550.636 3.956 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408981477 1066652257 /nfs/dbraw/zinc/65/22/57/1066652257.db2.gz HVKGGAZWAIEEPM-AHQATDLNSA-N 0 0 581.650 3.855 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408981478 1066652227 /nfs/dbraw/zinc/65/22/27/1066652227.db2.gz HVKGGAZWAIEEPM-AYTQJLEDSA-N 0 0 581.650 3.855 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408982253 1066651435 /nfs/dbraw/zinc/65/14/35/1066651435.db2.gz JGOHBSGZHNRWTK-CLNXTWJPSA-N 0 0 580.662 3.965 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408982255 1066245605 /nfs/dbraw/zinc/24/56/05/1066245605.db2.gz JGOHBSGZHNRWTK-ZHGFHMGHSA-N 0 0 580.662 3.965 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408982287 1066245666 /nfs/dbraw/zinc/24/56/66/1066245666.db2.gz JKLYMZLILCRJDO-AHQATDLNSA-N 0 0 611.676 3.864 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408982657 1066651558 /nfs/dbraw/zinc/65/15/58/1066651558.db2.gz JKLYMZLILCRJDO-AYTQJLEDSA-N 0 0 611.676 3.864 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408983162 1066245425 /nfs/dbraw/zinc/24/54/25/1066245425.db2.gz FTEAOOZFWQHQNP-AHQATDLNSA-N 0 0 581.650 3.855 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408983163 1066650800 /nfs/dbraw/zinc/65/08/00/1066650800.db2.gz FTEAOOZFWQHQNP-AYTQJLEDSA-N 0 0 581.650 3.855 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408983209 1066650781 /nfs/dbraw/zinc/65/07/81/1066650781.db2.gz GFSNMGAXQXYADD-OQTDNQPYSA-N 0 0 520.610 3.948 40 30 KHEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408983210 1066650793 /nfs/dbraw/zinc/65/07/93/1066650793.db2.gz GFSNMGAXQXYADD-SOEBIRPASA-N 0 0 520.610 3.948 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408983666 1066245697 /nfs/dbraw/zinc/24/56/97/1066245697.db2.gz GYUTUWHQJHVIHM-OQTDNQPYSA-N 0 0 520.610 3.948 40 30 KHEBRN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408983668 1066650802 /nfs/dbraw/zinc/65/08/02/1066650802.db2.gz GYUTUWHQJHVIHM-SOEBIRPASA-N 0 0 520.610 3.948 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408984124 1066650329 /nfs/dbraw/zinc/65/03/29/1066650329.db2.gz HZDFSVUCGKDUNF-DWAVHZDUSA-N 0 0 521.598 3.838 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408984128 1066650042 /nfs/dbraw/zinc/65/00/42/1066650042.db2.gz HZDFSVUCGKDUNF-OCKNXMHGSA-N 0 0 521.598 3.838 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408984745 1066649331 /nfs/dbraw/zinc/64/93/31/1066649331.db2.gz JSOOFAUDIFXDFM-LMKKRCETSA-N 0 0 551.624 3.847 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408984746 1066650338 /nfs/dbraw/zinc/65/03/38/1066650338.db2.gz JSOOFAUDIFXDFM-YMWOEAMWSA-N 0 0 551.624 3.847 40 30 KHEBRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408984817 1066649947 /nfs/dbraw/zinc/64/99/47/1066649947.db2.gz MYXZTKMVPCMMLO-FWESEHMYSA-N 0 0 611.676 3.864 40 30 KHEBRN 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JYWKSIQCKDJGLD-UVTDQMKNSA-N 0 0 531.368 3.656 40 30 KHEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(I)cc(I)c2OC)C1=O ZINC000409079451 1066262360 /nfs/dbraw/zinc/26/23/60/1066262360.db2.gz JVKARLSYEXUJBN-GHXNOFRVSA-N 0 0 613.211 3.862 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCC#N)c4)c(=O)n32)cc1 ZINC000409080284 1066709056 /nfs/dbraw/zinc/70/90/56/1066709056.db2.gz MSCVDTIFEWYUOS-NTWBUQQASA-N 0 0 536.613 3.785 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCC#N)c4)c(=O)n32)cc1 ZINC000409080286 1066261788 /nfs/dbraw/zinc/26/17/88/1066261788.db2.gz MSCVDTIFEWYUOS-XKGHIZKOSA-N 0 0 536.613 3.785 40 30 KHEBRN C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409080480 1066709113 /nfs/dbraw/zinc/70/91/13/1066709113.db2.gz DQKOPROVPOIEAI-KGENOOAVSA-N 0 0 500.598 3.996 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409081032 1066713357 /nfs/dbraw/zinc/71/33/57/1066713357.db2.gz FSUMXIMVHWIQKR-LXYLXTGBSA-N 0 0 641.540 3.989 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409081034 1066713477 /nfs/dbraw/zinc/71/34/77/1066713477.db2.gz FSUMXIMVHWIQKR-XGLZOBASSA-N 0 0 641.540 3.989 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000409081062 1066713463 /nfs/dbraw/zinc/71/34/63/1066713463.db2.gz GCFFRYJJNGPZEL-IAOUMNOZSA-N 0 0 566.639 3.793 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC#N)c(OC)c4)c(=O)n32)cc1 ZINC000409081064 1066713334 /nfs/dbraw/zinc/71/33/34/1066713334.db2.gz GCFFRYJJNGPZEL-RYOBIWAXSA-N 0 0 566.639 3.793 40 30 KHEBRN C=CCOc1c(I)cc(/C=C2\NC(=S)N(CCC)C2=O)cc1I ZINC000409082846 1066712364 /nfs/dbraw/zinc/71/23/64/1066712364.db2.gz JRZYQOSBUVGELB-LCYFTJDESA-N 0 0 554.191 3.928 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084279 1066711561 /nfs/dbraw/zinc/71/15/61/1066711561.db2.gz XMHCNGJDVVRGHP-DJTCXORXSA-N 0 0 642.528 3.879 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409084284 1066711600 /nfs/dbraw/zinc/71/16/00/1066711600.db2.gz XMHCNGJDVVRGHP-LNXFQTKESA-N 0 0 642.528 3.879 40 30 KHEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409084728 1066711305 /nfs/dbraw/zinc/71/13/05/1066711305.db2.gz XJRGXMGDMVWADL-JAYSWQADSA-N 0 0 611.514 3.980 40 30 KHEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409084734 1066711257 /nfs/dbraw/zinc/71/12/57/1066711257.db2.gz XJRGXMGDMVWADL-KEQCBNTKSA-N 0 0 611.514 3.980 40 30 KHEBRN NC(=S)N/N=C/c1cc(I)c(OCc2ccccc2F)c(I)c1 ZINC000409085269 1066711186 /nfs/dbraw/zinc/71/11/86/1066711186.db2.gz YTEFDWYFNXQJCT-IFRROFPPSA-N 0 0 555.154 3.781 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409085526 1066710734 /nfs/dbraw/zinc/71/07/34/1066710734.db2.gz XFCOMOGMMADDDZ-JAYSWQADSA-N 0 0 611.514 3.980 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409085531 1066194154 /nfs/dbraw/zinc/19/41/54/1066194154.db2.gz XFCOMOGMMADDDZ-KEQCBNTKSA-N 0 0 611.514 3.980 40 30 KHEBRN CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(I)c(OC)c(OCC)c2)C1=O ZINC000409085553 1066710770 /nfs/dbraw/zinc/71/07/70/1066710770.db2.gz ZVKUYYABLDFTEN-UVTDQMKNSA-N 0 0 531.368 3.656 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC#N)cc4)c(=O)n32)cc1 ZINC000409086002 1066710651 /nfs/dbraw/zinc/71/06/51/1066710651.db2.gz XWLUYKITYOJIJO-NTWBUQQASA-N 0 0 536.613 3.785 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC#N)cc4)c(=O)n32)cc1 ZINC000409086005 1066710758 /nfs/dbraw/zinc/71/07/58/1066710758.db2.gz XWLUYKITYOJIJO-XKGHIZKOSA-N 0 0 536.613 3.785 40 30 KHEBRN COc1c(I)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1I ZINC000409086159 1066710694 /nfs/dbraw/zinc/71/06/94/1066710694.db2.gz FZTCRTSNVFQARX-REZTVBANSA-N 0 0 524.056 3.654 40 30 KHEBRN C#CCOc1c(Br)cc(/C=C2\SC(NC(=O)CCC)=C(C(=O)OCC)C2=O)cc1OC ZINC000409087026 1066194314 /nfs/dbraw/zinc/19/43/14/1066194314.db2.gz ABXNHULZTPWGCM-VBKFSLOCSA-N 0 0 508.390 3.818 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409087251 1066710123 /nfs/dbraw/zinc/71/01/23/1066710123.db2.gz XYBFDNOAWMEXOL-ACJNQYEBSA-N 0 0 565.651 3.903 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409087253 1066710279 /nfs/dbraw/zinc/71/02/79/1066710279.db2.gz XYBFDNOAWMEXOL-HSUOJCLFSA-N 0 0 565.651 3.903 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409087273 1066194331 /nfs/dbraw/zinc/19/43/31/1066194331.db2.gz BYLHBFDICWMHPF-QVOHLBINSA-N 0 0 535.625 3.895 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409087277 1066710075 /nfs/dbraw/zinc/71/00/75/1066710075.db2.gz BYLHBFDICWMHPF-QWYUUOJISA-N 0 0 535.625 3.895 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088451 1066719930 /nfs/dbraw/zinc/71/99/30/1066719930.db2.gz FNGHBNDMBMVCNN-ITIZVALFSA-N 0 0 612.502 3.870 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088454 1066720050 /nfs/dbraw/zinc/72/00/50/1066720050.db2.gz FNGHBNDMBMVCNN-YXDQGSNCSA-N 0 0 612.502 3.870 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088853 1066719533 /nfs/dbraw/zinc/71/95/33/1066719533.db2.gz KTDMOUOEBGLHLJ-ITIZVALFSA-N 0 0 612.502 3.870 40 30 KHEBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088857 1066719917 /nfs/dbraw/zinc/71/99/17/1066719917.db2.gz KTDMOUOEBGLHLJ-YXDQGSNCSA-N 0 0 612.502 3.870 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409089160 1066262618 /nfs/dbraw/zinc/26/26/18/1066262618.db2.gz NHDHNDZKOBWGID-GOOXQAOHSA-N 0 0 521.042 3.659 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409089164 1066719395 /nfs/dbraw/zinc/71/93/95/1066719395.db2.gz NHDHNDZKOBWGID-KZVLXBEFSA-N 0 0 521.042 3.659 40 30 KHEBRN C=CCOc1c(I)cc(/C=C2\SC(NC(=O)CC)=C(C(=O)OCC)C2=O)cc1OC ZINC000409091248 1066262396 /nfs/dbraw/zinc/26/23/96/1066262396.db2.gz OTFCKEGMQAMERE-PTNGSMBKSA-N 0 0 543.379 3.822 40 30 KHEBRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCC#N)c(=O)n32)cc1 ZINC000409091713 1066718436 /nfs/dbraw/zinc/71/84/36/1066718436.db2.gz TZKZODAPJMWFCK-NTWBUQQASA-N 0 0 536.613 3.785 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409091715 1066718309 /nfs/dbraw/zinc/71/83/09/1066718309.db2.gz RPMKENKKQSRYFM-GVMLUORFSA-N 0 0 611.514 3.980 40 30 KHEBRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OCC#N)c(=O)n32)cc1 ZINC000409091716 1066718192 /nfs/dbraw/zinc/71/81/92/1066718192.db2.gz TZKZODAPJMWFCK-XKGHIZKOSA-N 0 0 536.613 3.785 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000409091717 1066718407 /nfs/dbraw/zinc/71/84/07/1066718407.db2.gz RPMKENKKQSRYFM-KMBIYUNPSA-N 0 0 611.514 3.980 40 30 KHEBRN CCOc1cc(/C=C2\C(=O)ON=C2C)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000409092378 1066717844 /nfs/dbraw/zinc/71/78/44/1066717844.db2.gz VDVQJQLVAIBBFE-DHDCSXOGSA-N 0 0 513.309 3.774 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409092426 1066262606 /nfs/dbraw/zinc/26/26/06/1066262606.db2.gz XYUDSMKRSOGICH-LBKCIFGTSA-N 0 0 520.054 3.769 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409092427 1066717744 /nfs/dbraw/zinc/71/77/44/1066717744.db2.gz XYUDSMKRSOGICH-QXHVWWCLSA-N 0 0 520.054 3.769 40 30 KHEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409092469 1066194258 /nfs/dbraw/zinc/19/42/58/1066194258.db2.gz YUTOGWDCCGYKKV-LBKCIFGTSA-N 0 0 520.054 3.769 40 30 KHEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409092470 1066194269 /nfs/dbraw/zinc/19/42/69/1066194269.db2.gz YUTOGWDCCGYKKV-QXHVWWCLSA-N 0 0 520.054 3.769 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OCC ZINC000409094039 1066716780 /nfs/dbraw/zinc/71/67/80/1066716780.db2.gz CRTYQTSXMXEXIV-MHWRWJLKSA-N 0 0 529.352 3.690 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094353 1066716699 /nfs/dbraw/zinc/71/66/99/1066716699.db2.gz DQJZFRMWOQLGTC-OWXSRONMSA-N 0 0 551.068 3.668 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094356 1066716605 /nfs/dbraw/zinc/71/66/05/1066716605.db2.gz DQJZFRMWOQLGTC-ZMIGGIFCSA-N 0 0 551.068 3.668 40 30 KHEBRN CCOC(=O)COc1c(I)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1I ZINC000409094563 1066716219 /nfs/dbraw/zinc/71/62/19/1066716219.db2.gz FTFYVBMOZPXDEO-DNTJNYDQSA-N 0 0 596.119 3.587 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409095322 1066262505 /nfs/dbraw/zinc/26/25/05/1066262505.db2.gz HEBFNEMQCCAIRS-ASSGYOTOSA-N 0 0 594.531 3.887 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409095326 1066715490 /nfs/dbraw/zinc/71/54/90/1066715490.db2.gz HEBFNEMQCCAIRS-OGRZUZBBSA-N 0 0 594.531 3.887 40 30 KHEBRN C=CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409095552 1066263046 /nfs/dbraw/zinc/26/30/46/1066263046.db2.gz BLMBFTQGIJGRDK-VCHYOVAHSA-N 0 0 500.349 3.862 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409095761 1066715515 /nfs/dbraw/zinc/71/55/15/1066715515.db2.gz IRPABPBFLQQARN-ASSGYOTOSA-N 0 0 580.106 3.786 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409095763 1066715664 /nfs/dbraw/zinc/71/56/64/1066715664.db2.gz IRPABPBFLQQARN-OGRZUZBBSA-N 0 0 580.106 3.786 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095948 1066714862 /nfs/dbraw/zinc/71/48/62/1066714862.db2.gz DZGLAZXOPBNMRK-ABBNRAPFSA-N 0 0 539.661 3.590 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095955 1066714929 /nfs/dbraw/zinc/71/49/29/1066714929.db2.gz DZGLAZXOPBNMRK-CSJROMOCSA-N 0 0 539.661 3.590 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409096436 1066714445 /nfs/dbraw/zinc/71/44/45/1066714445.db2.gz LCKIOGCHOKRKMB-NNAGEYCMSA-N 0 0 589.714 3.532 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409096445 1066714395 /nfs/dbraw/zinc/71/43/95/1066714395.db2.gz LCKIOGCHOKRKMB-PQRKSKNISA-N 0 0 589.714 3.532 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409096659 1066714511 /nfs/dbraw/zinc/71/45/11/1066714511.db2.gz KURNBIOOBYHRHS-GOOXQAOHSA-N 0 0 521.042 3.659 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409096661 1066714520 /nfs/dbraw/zinc/71/45/20/1066714520.db2.gz KURNBIOOBYHRHS-KZVLXBEFSA-N 0 0 521.042 3.659 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000409096775 1066713907 /nfs/dbraw/zinc/71/39/07/1066713907.db2.gz LZYXGCAYMFOIHF-GTWFGUSFSA-N 0 0 592.674 3.594 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000409096778 1066714543 /nfs/dbraw/zinc/71/45/43/1066714543.db2.gz LZYXGCAYMFOIHF-SJJVXOANSA-N 0 0 592.674 3.594 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409096792 1066714554 /nfs/dbraw/zinc/71/45/54/1066714554.db2.gz FASHNKJFQDODFO-RGFRMHDHSA-N 0 0 577.703 3.694 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409096799 1066714484 /nfs/dbraw/zinc/71/44/84/1066714484.db2.gz FASHNKJFQDODFO-XQNWCSQWSA-N 0 0 577.703 3.694 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409096891 1066714009 /nfs/dbraw/zinc/71/40/09/1066714009.db2.gz GXUZHWIJSRIHCO-ABBNRAPFSA-N 0 0 547.677 3.686 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409096898 1066713957 /nfs/dbraw/zinc/71/39/57/1066713957.db2.gz GXUZHWIJSRIHCO-CSJROMOCSA-N 0 0 547.677 3.686 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409097074 1066713877 /nfs/dbraw/zinc/71/38/77/1066713877.db2.gz MYACXQKSTDICIF-GOOXQAOHSA-N 0 0 521.042 3.659 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409097080 1066713921 /nfs/dbraw/zinc/71/39/21/1066713921.db2.gz MYACXQKSTDICIF-KZVLXBEFSA-N 0 0 521.042 3.659 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@@H](c1cc(OC)ccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409097219 1066713315 /nfs/dbraw/zinc/71/33/15/1066713315.db2.gz MTTQYHMEYWSODW-QPJBPQEWSA-N 0 0 624.557 3.895 40 30 KHEBRN C#CCOc1ccc(Br)cc1/C=c1/sc2n(c1=O)[C@H](c1cc(OC)ccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409097225 1066713365 /nfs/dbraw/zinc/71/33/65/1066713365.db2.gz MTTQYHMEYWSODW-QTTRZTASSA-N 0 0 624.557 3.895 40 30 KHEBRN C#CCOc1c(I)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1I ZINC000409097803 1066264073 /nfs/dbraw/zinc/26/40/73/1066264073.db2.gz JKQHFCVHUWMDPP-DJKKODMXSA-N 0 0 548.078 3.657 40 30 KHEBRN C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1I ZINC000409098238 1066264159 /nfs/dbraw/zinc/26/41/59/1066264159.db2.gz KRVDUWKUKCDSKC-LDADJPATSA-N 0 0 517.323 3.696 40 30 KHEBRN C#CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409098517 1066263942 /nfs/dbraw/zinc/26/39/42/1066263942.db2.gz QNVFGGHHWSNEES-XDHOZWIPSA-N 0 0 512.360 3.700 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC)C2=O)cc1I ZINC000409098522 1066723837 /nfs/dbraw/zinc/72/38/37/1066723837.db2.gz QGCRQJGVFJECCW-XYOKQWHBSA-N 0 0 539.132 3.964 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409098814 1066723256 /nfs/dbraw/zinc/72/32/56/1066723256.db2.gz QMQKPKHWADUVKC-QPJBPQEWSA-N 0 0 610.132 3.795 40 30 KHEBRN C#CCOc1c(Cl)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409098815 1066723333 /nfs/dbraw/zinc/72/33/33/1066723333.db2.gz QMQKPKHWADUVKC-QTTRZTASSA-N 0 0 610.132 3.795 40 30 KHEBRN C=CCN1C(=O)S/C(=C/c2cc(I)cc(I)c2O)C1=O ZINC000409099117 1066264203 /nfs/dbraw/zinc/26/42/03/1066264203.db2.gz SBPCDRRBRLWLMN-BJMVGYQFSA-N 0 0 513.094 3.824 40 30 KHEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c1 ZINC000409099774 1066722908 /nfs/dbraw/zinc/72/29/08/1066722908.db2.gz LOAAABWMRZIVOU-ABBNRAPFSA-N 0 0 547.677 3.686 40 30 KHEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c1 ZINC000409099776 1066722879 /nfs/dbraw/zinc/72/28/79/1066722879.db2.gz LOAAABWMRZIVOU-CSJROMOCSA-N 0 0 547.677 3.686 40 30 KHEBRN C=CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409099847 1066723004 /nfs/dbraw/zinc/72/30/04/1066723004.db2.gz LYTLTLOYTDYAFO-WOJGMQOQSA-N 0 0 500.349 3.862 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409100721 1066721952 /nfs/dbraw/zinc/72/19/52/1066721952.db2.gz WFEMVKAZHQTYDE-XDHOZWIPSA-N 0 0 559.360 3.542 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409101151 1066721556 /nfs/dbraw/zinc/72/15/56/1066721556.db2.gz VZARVZRWPZGJDH-QPJBPQEWSA-N 0 0 701.583 3.746 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409101153 1066721577 /nfs/dbraw/zinc/72/15/77/1066721577.db2.gz VZARVZRWPZGJDH-QTTRZTASSA-N 0 0 701.583 3.746 40 30 KHEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409101329 1066721600 /nfs/dbraw/zinc/72/16/00/1066721600.db2.gz XVNUYHQECMBFNJ-INZJWMLVSA-N 0 0 517.651 3.677 40 30 KHEBRN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409101332 1066721534 /nfs/dbraw/zinc/72/15/34/1066721534.db2.gz XVNUYHQECMBFNJ-NQCZSQBNSA-N 0 0 517.651 3.677 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000409101436 1066721144 /nfs/dbraw/zinc/72/11/44/1066721144.db2.gz XSERGCXWLWVBFK-MFCBUNOESA-N 0 0 622.700 3.602 40 30 KHEBRN C=CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000409101441 1066721130 /nfs/dbraw/zinc/72/11/30/1066721130.db2.gz XSERGCXWLWVBFK-SUAMDDGLSA-N 0 0 622.700 3.602 40 30 KHEBRN C=CCOc1c(I)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409101551 1066721023 /nfs/dbraw/zinc/72/10/23/1066721023.db2.gz YYQHOGYWNHHGOA-WQRHYEAKSA-N 0 0 547.349 3.704 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409102066 1066720594 /nfs/dbraw/zinc/72/05/94/1066720594.db2.gz ZSROKQAAEPVGTG-LCQSEVKBSA-N 0 0 569.687 3.599 40 30 KHEBRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cn(CC#N)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409102072 1066720568 /nfs/dbraw/zinc/72/05/68/1066720568.db2.gz ZSROKQAAEPVGTG-UQDCTOEPSA-N 0 0 569.687 3.599 40 30 KHEBRN C#CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1I ZINC000409102276 1066727177 /nfs/dbraw/zinc/72/71/77/1066727177.db2.gz YKVRTEMMSHNTHA-WOJGMQOQSA-N 0 0 641.203 3.748 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409102324 1066727749 /nfs/dbraw/zinc/72/77/49/1066727749.db2.gz YUMBPLYXMUPCOJ-ASSGYOTOSA-N 0 0 550.080 3.778 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409102327 1066727635 /nfs/dbraw/zinc/72/76/35/1066727635.db2.gz YUMBPLYXMUPCOJ-OGRZUZBBSA-N 0 0 550.080 3.778 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409103695 1066726559 /nfs/dbraw/zinc/72/65/59/1066726559.db2.gz FCJYVMMAJYNRHO-QVOHLBINSA-N 0 0 559.688 3.523 40 30 KHEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OCC ZINC000409103699 1066726736 /nfs/dbraw/zinc/72/67/36/1066726736.db2.gz FCJYVMMAJYNRHO-QWYUUOJISA-N 0 0 559.688 3.523 40 30 KHEBRN C#CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409104661 1066726242 /nfs/dbraw/zinc/72/62/42/1066726242.db2.gz GRLZCCNHSABABU-YBFXNURJSA-N 0 0 512.360 3.700 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409104918 1066725699 /nfs/dbraw/zinc/72/56/99/1066725699.db2.gz LDKJMQYSXMALAY-INZJWMLVSA-N 0 0 517.651 3.677 40 30 KHEBRN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409104919 1066725738 /nfs/dbraw/zinc/72/57/38/1066725738.db2.gz LDKJMQYSXMALAY-NQCZSQBNSA-N 0 0 517.651 3.677 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409105499 1066725642 /nfs/dbraw/zinc/72/56/42/1066725642.db2.gz IAURNDQNWOULJG-ASSGYOTOSA-N 0 0 671.557 3.737 40 30 KHEBRN C#CCOc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409105501 1066725803 /nfs/dbraw/zinc/72/58/03/1066725803.db2.gz IAURNDQNWOULJG-OGRZUZBBSA-N 0 0 671.557 3.737 40 30 KHEBRN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c1 ZINC000409106851 1066724749 /nfs/dbraw/zinc/72/47/49/1066724749.db2.gz PPZGLHGHGXLBDT-INZJWMLVSA-N 0 0 517.651 3.677 40 30 KHEBRN 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30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409277513 1066787395 /nfs/dbraw/zinc/78/73/95/1066787395.db2.gz ARMQBDUOCYIXIY-UHFFFAOYSA-N 0 0 527.419 3.576 40 30 KHEBRN CN(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCC(=O)N2CCOCC2)c1 ZINC000409277516 1066276255 /nfs/dbraw/zinc/27/62/55/1066276255.db2.gz ARZMPYIXQKEPGL-UHFFFAOYSA-N 0 0 570.488 3.642 40 30 KHEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(N)=O ZINC000409277648 1066787477 /nfs/dbraw/zinc/78/74/77/1066787477.db2.gz BPSGWPYHYYWXFW-UHFFFAOYSA-N 0 0 566.250 3.974 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409277775 1066787513 /nfs/dbraw/zinc/78/75/13/1066787513.db2.gz CAHQOERHZUSKRR-UHFFFAOYSA-N 0 0 587.471 3.594 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409277982 1066787466 /nfs/dbraw/zinc/78/74/66/1066787466.db2.gz CJDJNSOAMFEFKJ-UHFFFAOYSA-N 0 0 517.336 3.842 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(I)c1OCC(=O)N1CCOCC1 ZINC000409278048 1066787445 /nfs/dbraw/zinc/78/74/45/1066787445.db2.gz COHPGWRQQUBHCE-UHFFFAOYSA-N 0 0 669.314 3.845 40 30 KHEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409278075 1066787505 /nfs/dbraw/zinc/78/75/05/1066787505.db2.gz CVHYUSKZXIDNDS-UHFFFAOYSA-N 0 0 503.309 3.625 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409278080 1066787495 /nfs/dbraw/zinc/78/74/95/1066787495.db2.gz CVWRRQFFSXMGQP-CYBMUJFWSA-N 0 0 517.336 3.842 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409278083 1066787419 /nfs/dbraw/zinc/78/74/19/1066787419.db2.gz CVWRRQFFSXMGQP-ZDUSSCGKSA-N 0 0 517.336 3.842 40 30 KHEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC#N ZINC000409278191 1066787543 /nfs/dbraw/zinc/78/75/43/1066787543.db2.gz DQPYSKFLKODAMY-UHFFFAOYSA-N 0 0 500.309 3.813 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OC)c3OCC(=O)N3CCOCC3)cc21 ZINC000409278367 1066787486 /nfs/dbraw/zinc/78/74/86/1066787486.db2.gz DESZXBNBYVRFMN-UHFFFAOYSA-N 0 0 568.586 3.947 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409278616 1066787074 /nfs/dbraw/zinc/78/70/74/1066787074.db2.gz FAHVYEAQYHTJMR-UHFFFAOYSA-N 0 0 608.287 3.612 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(N)=O ZINC000409278720 1066787035 /nfs/dbraw/zinc/78/70/35/1066787035.db2.gz DWELRKGTIAXZOE-UHFFFAOYSA-N 0 0 613.250 3.816 40 30 KHEBRN CC(=O)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409278904 1066787043 /nfs/dbraw/zinc/78/70/43/1066787043.db2.gz HBMHCYUFCLRPLE-UHFFFAOYSA-N 0 0 524.125 3.946 40 30 KHEBRN COc1cc(Br)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCC(N)=O ZINC000409278942 1066787080 /nfs/dbraw/zinc/78/70/80/1066787080.db2.gz GIUIZGWWEKPFCV-UHFFFAOYSA-N 0 0 552.223 3.800 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000409279002 1066787156 /nfs/dbraw/zinc/78/71/56/1066787156.db2.gz GBUCTPVWXPFFRJ-UHFFFAOYSA-N 0 0 504.587 3.573 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409279305 1066787109 /nfs/dbraw/zinc/78/71/09/1066787109.db2.gz HADMQHODGQKRBX-GFCCVEGCSA-N 0 0 503.309 3.588 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409279309 1066787026 /nfs/dbraw/zinc/78/70/26/1066787026.db2.gz HADMQHODGQKRBX-LBPRGKRZSA-N 0 0 503.309 3.588 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(N)=O ZINC000409279329 1066787134 /nfs/dbraw/zinc/78/71/34/1066787134.db2.gz HHMNMFMHXIGYHK-UHFFFAOYSA-N 0 0 566.250 3.974 40 30 KHEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409279555 1066787099 /nfs/dbraw/zinc/78/70/99/1066787099.db2.gz HUBHMLSOMNNBCY-UHFFFAOYSA-N 0 0 502.365 3.899 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)N2CCOCC2)c1 ZINC000409279788 1066277573 /nfs/dbraw/zinc/27/75/73/1066277573.db2.gz IKXKMLHQNCPDJI-UHFFFAOYSA-N 0 0 527.419 3.576 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)OC(C)C ZINC000409279851 1066277590 /nfs/dbraw/zinc/27/75/90/1066277590.db2.gz IRHYXWIRUZHOCF-UHFFFAOYSA-N 0 0 501.381 3.746 40 30 KHEBRN CCOC(=O)COc1cc(N(C)C)ccc1C=Nn1c(CC)nc2ccc(Br)cc2c1=O ZINC000409279926 1066277626 /nfs/dbraw/zinc/27/76/26/1066277626.db2.gz ICIQLKWEQDYQMD-UHFFFAOYSA-N 0 0 501.381 3.612 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1OC(C)=O ZINC000409280078 1066787085 /nfs/dbraw/zinc/78/70/85/1066787085.db2.gz JKFZEIHTFRWYEV-UHFFFAOYSA-N 0 0 503.309 3.836 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409280084 1066787149 /nfs/dbraw/zinc/78/71/49/1066787149.db2.gz IMBBZHHFRZFWLB-GFCCVEGCSA-N 0 0 533.335 3.597 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409280088 1066787067 /nfs/dbraw/zinc/78/70/67/1066787067.db2.gz IMBBZHHFRZFWLB-LBPRGKRZSA-N 0 0 533.335 3.597 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409280135 1066277383 /nfs/dbraw/zinc/27/73/83/1066277383.db2.gz IOLIXSGSSQAFOX-AWEZNQCLSA-N 0 0 532.391 3.951 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409280138 1066787093 /nfs/dbraw/zinc/78/70/93/1066787093.db2.gz IOLIXSGSSQAFOX-CQSZACIVSA-N 0 0 532.391 3.951 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OCC)c(OC)c1 ZINC000409280213 1066787143 /nfs/dbraw/zinc/78/71/43/1066787143.db2.gz JQNZXXIWCIMPOM-UHFFFAOYSA-N 0 0 502.365 3.944 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)ccc1OCC(=O)N1CCOCC1 ZINC000409280620 1066787119 /nfs/dbraw/zinc/78/71/19/1066787119.db2.gz BUTFSPOAVTVCIE-UHFFFAOYSA-N 0 0 557.445 3.801 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409280712 1066277356 /nfs/dbraw/zinc/27/73/56/1066277356.db2.gz JSMLNXPUWSMZFS-AWEZNQCLSA-N 0 0 502.365 3.943 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409280715 1066787105 /nfs/dbraw/zinc/78/71/05/1066787105.db2.gz JSMLNXPUWSMZFS-CQSZACIVSA-N 0 0 502.365 3.943 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409280863 1066786746 /nfs/dbraw/zinc/78/67/46/1066786746.db2.gz MJNVWIAQHRKRNH-CYBMUJFWSA-N 0 0 547.362 3.851 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409280865 1066786646 /nfs/dbraw/zinc/78/66/46/1066786646.db2.gz MJNVWIAQHRKRNH-ZDUSSCGKSA-N 0 0 547.362 3.851 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)OC ZINC000409280873 1066787128 /nfs/dbraw/zinc/78/71/28/1066787128.db2.gz LGXSNBIRUGCVBP-UHFFFAOYSA-N 0 0 508.756 3.817 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(Br)c1OCC(N)=O ZINC000409280941 1066277341 /nfs/dbraw/zinc/27/73/41/1066277341.db2.gz CGJYONFGYWXBFR-UHFFFAOYSA-N 0 0 542.615 3.884 40 30 KHEBRN COC(=O)[C@@H](C)Oc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409281788 1066786732 /nfs/dbraw/zinc/78/67/32/1066786732.db2.gz OGXDNUZQUMZTNB-LLVKDONJSA-N 0 0 570.181 3.895 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c(Cl)c1Br ZINC000409281790 1066278044 /nfs/dbraw/zinc/27/80/44/1066278044.db2.gz LWCAEWFUDUOCLN-UHFFFAOYSA-N 0 0 572.641 3.892 40 30 KHEBRN COC(=O)[C@H](C)Oc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409281792 1066786663 /nfs/dbraw/zinc/78/66/63/1066786663.db2.gz OGXDNUZQUMZTNB-NSHDSACASA-N 0 0 570.181 3.895 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cccc1[N+](=O)[O-] ZINC000409281908 1066786581 /nfs/dbraw/zinc/78/65/81/1066786581.db2.gz NMSYWANSLPKYDK-GFCCVEGCSA-N 0 0 503.309 3.588 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cccc1[N+](=O)[O-] ZINC000409281910 1066786673 /nfs/dbraw/zinc/78/66/73/1066786673.db2.gz NMSYWANSLPKYDK-LBPRGKRZSA-N 0 0 503.309 3.588 40 30 KHEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC000409281935 1066786760 /nfs/dbraw/zinc/78/67/60/1066786760.db2.gz FNEJRUMQBKJRCR-UHFFFAOYSA-N 0 0 532.391 3.908 40 30 KHEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCC(=O)OC ZINC000409282032 1066786715 /nfs/dbraw/zinc/78/67/15/1066786715.db2.gz NXONTBRNYAMFOT-UHFFFAOYSA-N 0 0 508.756 3.954 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000409282157 1066786599 /nfs/dbraw/zinc/78/65/99/1066786599.db2.gz MQKWMLITOMLVDI-UHFFFAOYSA-N 0 0 521.799 3.865 40 30 KHEBRN CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(OCC(=O)N2CCOCC2)c1 ZINC000409282183 1066278212 /nfs/dbraw/zinc/27/82/12/1066278212.db2.gz GHZOZYUSFPTRKW-UHFFFAOYSA-N 0 0 517.630 3.630 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(N)=O)c(I)c1 ZINC000409282358 1066278318 /nfs/dbraw/zinc/27/83/18/1066278318.db2.gz NMWQGUROMSGWGN-UHFFFAOYSA-N 0 0 681.066 3.677 40 30 KHEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1OC ZINC000409282547 1066278352 /nfs/dbraw/zinc/27/83/52/1066278352.db2.gz OVNBNZLUMZFTHS-UHFFFAOYSA-N 0 0 518.364 3.734 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409282550 1066786794 /nfs/dbraw/zinc/78/67/94/1066786794.db2.gz PBBFOUHSOBFWSW-UHFFFAOYSA-N 0 0 557.519 3.872 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)N4CCOCC4)c(OC)c3)cc21 ZINC000409282687 1066786561 /nfs/dbraw/zinc/78/65/61/1066786561.db2.gz PGBILOUXPPLREA-UHFFFAOYSA-N 0 0 598.612 3.955 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409282710 1066786614 /nfs/dbraw/zinc/78/66/14/1066786614.db2.gz QCMCOXVHTKAOCJ-UHFFFAOYSA-N 0 0 577.863 3.893 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409282712 1066786723 /nfs/dbraw/zinc/78/67/23/1066786723.db2.gz HQTADDQLBAFRGU-JTQLQIEISA-N 0 0 568.178 3.961 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409282715 1066786689 /nfs/dbraw/zinc/78/66/89/1066786689.db2.gz HQTADDQLBAFRGU-SNVBAGLBSA-N 0 0 568.178 3.961 40 30 KHEBRN COC(=O)COc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409282807 1066786774 /nfs/dbraw/zinc/78/67/74/1066786774.db2.gz NZWGGVDASKFTAC-UHFFFAOYSA-N 0 0 539.180 3.673 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409283061 1066786112 /nfs/dbraw/zinc/78/61/12/1066786112.db2.gz IJAZIJQAEFJDDH-UHFFFAOYSA-N 0 0 536.770 3.764 40 30 KHEBRN CN(C)c1ccc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c(OCC(N)=O)c1 ZINC000409283144 1066786590 /nfs/dbraw/zinc/78/65/90/1066786590.db2.gz QFDMLHWVOJRRPR-UHFFFAOYSA-N 0 0 509.488 3.895 40 30 KHEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409283264 1066786195 /nfs/dbraw/zinc/78/61/95/1066786195.db2.gz OVELNOBIJRDALE-UHFFFAOYSA-N 0 0 583.483 3.968 40 30 KHEBRN COC(=O)COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1Br ZINC000409283285 1066786144 /nfs/dbraw/zinc/78/61/44/1066786144.db2.gz OYFLLPMYFAKZHX-UHFFFAOYSA-N 0 0 509.154 3.664 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(N(C)C)cc3OCC(N)=O)cc21 ZINC000409283389 1066786295 /nfs/dbraw/zinc/78/62/95/1066786295.db2.gz PRBCNODUFYBKQE-UHFFFAOYSA-N 0 0 511.538 3.631 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(C)n(CC(=O)N2CCOCC2)c2ccccc12 ZINC000409283555 1066786185 /nfs/dbraw/zinc/78/61/85/1066786185.db2.gz RVKGQYCXASFVLS-UHFFFAOYSA-N 0 0 536.430 3.726 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(I)c1OCC(N)=O ZINC000409283765 1066786282 /nfs/dbraw/zinc/78/62/82/1066786282.db2.gz SZZTYJPVFKITPO-UHFFFAOYSA-N 0 0 560.392 3.804 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409283890 1066786245 /nfs/dbraw/zinc/78/62/45/1066786245.db2.gz SISXGVTZMZIYGP-UHFFFAOYSA-N 0 0 536.770 3.764 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000409283923 1066278127 /nfs/dbraw/zinc/27/81/27/1066278127.db2.gz JZHJOGFLXBOFJO-UHFFFAOYSA-N 0 0 503.309 3.588 40 30 KHEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409283988 1066278135 /nfs/dbraw/zinc/27/81/35/1066278135.db2.gz RUVAGPDTHTYBEL-UHFFFAOYSA-N 0 0 503.309 3.625 40 30 KHEBRN CC(=O)Oc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409284039 1066786064 /nfs/dbraw/zinc/78/60/64/1066786064.db2.gz KLFKXGOCHRFBQI-UHFFFAOYSA-N 0 0 524.125 3.946 40 30 KHEBRN CCOC(=O)COc1c(OCC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409284192 1066786101 /nfs/dbraw/zinc/78/61/01/1066786101.db2.gz UGMXQOZSVKYCOZ-UHFFFAOYSA-N 0 0 547.362 3.852 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc([N+](=O)[O-])c3OCC(=O)N3CCOCC3)cc21 ZINC000409284263 1066278299 /nfs/dbraw/zinc/27/82/99/1066278299.db2.gz SYEHDLGIDHGWCN-UHFFFAOYSA-N 0 0 583.557 3.846 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409284283 1066786211 /nfs/dbraw/zinc/78/62/11/1066786211.db2.gz TWRCLKVSNVKDJL-UHFFFAOYSA-N 0 0 522.743 3.590 40 30 KHEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCC(=O)N1CCOCC1 ZINC000409284512 1066786270 /nfs/dbraw/zinc/78/62/70/1066786270.db2.gz LOSZHXFUHOAKGE-UHFFFAOYSA-N 0 0 504.587 3.573 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@@H](C)C(=O)OC ZINC000409284513 1066786155 /nfs/dbraw/zinc/78/61/55/1066786155.db2.gz RMEOYMAJPRYYFZ-AWEZNQCLSA-N 0 0 501.381 3.610 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1O[C@H](C)C(=O)OC ZINC000409284517 1066786094 /nfs/dbraw/zinc/78/60/94/1066786094.db2.gz RMEOYMAJPRYYFZ-CQSZACIVSA-N 0 0 501.381 3.610 40 30 KHEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC000409284663 1066786078 /nfs/dbraw/zinc/78/60/78/1066786078.db2.gz VEZQDXYZOFDZDJ-UHFFFAOYSA-N 0 0 502.365 3.899 40 30 KHEBRN C=CCc1cc(C=Nn2c(C(C)C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC000409284736 1066786168 /nfs/dbraw/zinc/78/61/68/1066786168.db2.gz VTFCAJKRNMOZFH-UHFFFAOYSA-N 0 0 513.392 3.766 40 30 KHEBRN Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409285084 1066785610 /nfs/dbraw/zinc/78/56/10/1066785610.db2.gz MTBVFCHRXQKSRY-UHFFFAOYSA-N 0 0 578.467 3.995 40 30 KHEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC000409285211 1066278036 /nfs/dbraw/zinc/27/80/36/1066278036.db2.gz VRWLVBQJDXSJAZ-UHFFFAOYSA-N 0 0 563.836 3.639 40 30 KHEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(N)=O ZINC000409285334 1066785504 /nfs/dbraw/zinc/78/55/04/1066785504.db2.gz NINMFWQWGVASBH-UHFFFAOYSA-N 0 0 521.799 3.865 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000409285411 1066785692 /nfs/dbraw/zinc/78/56/92/1066785692.db2.gz NOSFSOUYNSOJMS-UHFFFAOYSA-N 0 0 522.197 3.791 40 30 KHEBRN COC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409285468 1066785640 /nfs/dbraw/zinc/78/56/40/1066785640.db2.gz XHJPMKSFWOWWDM-UHFFFAOYSA-N 0 0 515.408 3.957 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)N4CCOCC4)c(OC)c3)cc21 ZINC000409285486 1066785630 /nfs/dbraw/zinc/78/56/30/1066785630.db2.gz OBQHBCHOIILIMN-UHFFFAOYSA-N 0 0 568.586 3.947 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(N)=O ZINC000409285603 1066278094 /nfs/dbraw/zinc/27/80/94/1066278094.db2.gz XSIWSMHECPXNLX-UHFFFAOYSA-N 0 0 522.197 3.791 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(Br)cc1OCC(N)=O ZINC000409285726 1066785550 /nfs/dbraw/zinc/78/55/50/1066785550.db2.gz WWGMWPQRTVVDDM-UHFFFAOYSA-N 0 0 513.392 3.962 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)ccc1OCC(=O)N1CCOCC1 ZINC000409285740 1066785598 /nfs/dbraw/zinc/78/55/98/1066785598.db2.gz WYNQLEBNRABEDC-UHFFFAOYSA-N 0 0 538.560 3.938 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409285939 1066785459 /nfs/dbraw/zinc/78/54/59/1066785459.db2.gz YAEZBRNRCNCQAG-UHFFFAOYSA-N 0 0 592.834 3.964 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000409285981 1066277533 /nfs/dbraw/zinc/27/75/33/1066277533.db2.gz XKUAVQHFMSFZMA-UHFFFAOYSA-N 0 0 523.181 3.918 40 30 KHEBRN O=C(COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)N1CCOCC1 ZINC000409286068 1066785521 /nfs/dbraw/zinc/78/55/21/1066785521.db2.gz XQGLDRXDIHGBQQ-UHFFFAOYSA-N 0 0 553.531 3.838 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000409286133 1066785534 /nfs/dbraw/zinc/78/55/34/1066785534.db2.gz YUFLTOSXNBUPSI-UHFFFAOYSA-N 0 0 553.207 3.927 40 30 KHEBRN COC(=O)COc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409286460 1066278965 /nfs/dbraw/zinc/27/89/65/1066278965.db2.gz YRDSDRCXTQBCCM-UHFFFAOYSA-N 0 0 554.151 3.572 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409286549 1066785618 /nfs/dbraw/zinc/78/56/18/1066785618.db2.gz WNCKRDRXABPPAO-UHFFFAOYSA-N 0 0 623.258 3.512 40 30 KHEBRN COC(=O)COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409286561 1066785667 /nfs/dbraw/zinc/78/56/67/1066785667.db2.gz YYERIPNUXAMZFT-UHFFFAOYSA-N 0 0 556.154 3.506 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409286573 1066279023 /nfs/dbraw/zinc/27/90/23/1066279023.db2.gz QJBGYHNCYNFAKD-UHFFFAOYSA-N 0 0 546.378 3.510 40 30 KHEBRN COC(=O)COc1ccc(Br)cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409286685 1066785589 /nfs/dbraw/zinc/78/55/89/1066785589.db2.gz WYRZUMXKHQAMNR-UHFFFAOYSA-N 0 0 509.154 3.664 40 30 KHEBRN NC(=O)COc1c(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409287020 1066785567 /nfs/dbraw/zinc/78/55/67/1066785567.db2.gz RUYRYINRDPBSHS-UHFFFAOYSA-N 0 0 528.363 3.861 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc([N+](=O)[O-])c1OCC#N ZINC000409287041 1066785660 /nfs/dbraw/zinc/78/56/60/1066785660.db2.gz YAOIYYPZFVCYFC-UHFFFAOYSA-N 0 0 500.309 3.984 40 30 KHEBRN Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccc(OCC(N)=O)cc1 ZINC000409287277 1066196153 /nfs/dbraw/zinc/19/61/53/1066196153.db2.gz SXFFJNUSXZXXHK-UHFFFAOYSA-N 0 0 508.376 3.621 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)ccc1OCC(=O)N1CCOCC1 ZINC000409287349 1066788962 /nfs/dbraw/zinc/78/89/62/1066788962.db2.gz UHDCMWFJKKKRIN-UHFFFAOYSA-N 0 0 518.614 3.963 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(=O)N4CCOCC4)c([N+](=O)[O-])c3)cc21 ZINC000409287455 1066788916 /nfs/dbraw/zinc/78/89/16/1066788916.db2.gz VMYNVZZEPRMSTP-UHFFFAOYSA-N 0 0 613.583 3.855 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409287470 1066788977 /nfs/dbraw/zinc/78/89/77/1066788977.db2.gz VRAYFBQOIIEYSD-UHFFFAOYSA-N 0 0 534.613 3.581 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)cc1OC ZINC000409287522 1066788870 /nfs/dbraw/zinc/78/88/70/1066788870.db2.gz WCKZPOQYEPZHIC-LLVKDONJSA-N 0 0 508.756 3.952 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)cc1OC ZINC000409287523 1066788745 /nfs/dbraw/zinc/78/87/45/1066788745.db2.gz WCKZPOQYEPZHIC-NSHDSACASA-N 0 0 508.756 3.952 40 30 KHEBRN COC(=O)COc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC ZINC000409287538 1066789003 /nfs/dbraw/zinc/78/90/03/1066789003.db2.gz WIRVOKWSUPCQDB-UHFFFAOYSA-N 0 0 539.180 3.673 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409287659 1066788756 /nfs/dbraw/zinc/78/87/56/1066788756.db2.gz XSYSJYPBVUKILZ-UHFFFAOYSA-N 0 0 616.469 3.883 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409287688 1066788842 /nfs/dbraw/zinc/78/88/42/1066788842.db2.gz YAZZJAAWWIXTAN-UHFFFAOYSA-N 0 0 517.336 3.842 40 30 KHEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409287913 1066788800 /nfs/dbraw/zinc/78/88/00/1066788800.db2.gz APQMRQCCCGDNGZ-UHFFFAOYSA-N 0 0 517.336 3.799 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c(Br)cc1OCC(N)=O ZINC000409288295 1066278863 /nfs/dbraw/zinc/27/88/63/1066278863.db2.gz FVABMQONNVOYOY-UHFFFAOYSA-N 0 0 552.223 3.800 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)c(I)c1 ZINC000409288559 1066788931 /nfs/dbraw/zinc/78/89/31/1066788931.db2.gz HSMYFYNWKUIELG-UHFFFAOYSA-N 0 0 523.128 3.857 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409288857 1066788458 /nfs/dbraw/zinc/78/84/58/1066788458.db2.gz CEXGTRSVPRSZGV-UHFFFAOYSA-N 0 0 669.314 3.845 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409289048 1066788277 /nfs/dbraw/zinc/78/82/77/1066788277.db2.gz KTHJSCSUJMCGCJ-AWEZNQCLSA-N 0 0 501.381 3.746 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409289049 1066788366 /nfs/dbraw/zinc/78/83/66/1066788366.db2.gz KTHJSCSUJMCGCJ-CQSZACIVSA-N 0 0 501.381 3.746 40 30 KHEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Cl)c1OCC(N)=O ZINC000409289150 1066278752 /nfs/dbraw/zinc/27/87/52/1066278752.db2.gz LBDXQOWKCBROSR-UHFFFAOYSA-N 0 0 507.772 3.520 40 30 KHEBRN COC(=O)COc1cc(N(C)C)ccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)C ZINC000409289330 1066788407 /nfs/dbraw/zinc/78/84/07/1066788407.db2.gz FVHLIFVCXYVGOK-UHFFFAOYSA-N 0 0 501.381 3.782 40 30 KHEBRN CCOC(=O)COc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409289446 1066788424 /nfs/dbraw/zinc/78/84/24/1066788424.db2.gz MWHFAJXFICAJBX-UHFFFAOYSA-N 0 0 523.727 3.853 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409289566 1066788248 /nfs/dbraw/zinc/78/82/48/1066788248.db2.gz HATODIDNFLNASI-UHFFFAOYSA-N 0 0 581.221 3.874 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1CC ZINC000409289821 1066788333 /nfs/dbraw/zinc/78/83/33/1066788333.db2.gz IJIRGZOICDVRQA-CYBMUJFWSA-N 0 0 517.336 3.842 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1CC ZINC000409289823 1066788357 /nfs/dbraw/zinc/78/83/57/1066788357.db2.gz IJIRGZOICDVRQA-ZDUSSCGKSA-N 0 0 517.336 3.842 40 30 KHEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1OCC(=O)N1CCOCC1 ZINC000409290367 1066788392 /nfs/dbraw/zinc/78/83/92/1066788392.db2.gz LIYOUHHGFWPBEC-UHFFFAOYSA-N 0 0 538.560 3.938 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c(I)c1 ZINC000409290393 1066788467 /nfs/dbraw/zinc/78/84/67/1066788467.db2.gz LPGDSPUNBZLTAL-UHFFFAOYSA-N 0 0 569.197 3.633 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)c1OCC(N)=O ZINC000409290565 1066278912 /nfs/dbraw/zinc/27/89/12/1066278912.db2.gz MHMDTHREIIPXGE-UHFFFAOYSA-N 0 0 513.392 3.962 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC000409290588 1066278841 /nfs/dbraw/zinc/27/88/41/1066278841.db2.gz MKFKOIYGGQXWHV-UHFFFAOYSA-N 0 0 542.615 3.884 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(-c2ccc(OCC(N)=O)cc2)c1C ZINC000409290716 1066278922 /nfs/dbraw/zinc/27/89/22/1066278922.db2.gz APNOABKYHBAOKJ-UHFFFAOYSA-N 0 0 522.403 3.875 40 30 KHEBRN CCOC(=O)COc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409290766 1066788494 /nfs/dbraw/zinc/78/84/94/1066788494.db2.gz UXLYFWINCRZSSL-UHFFFAOYSA-N 0 0 570.181 3.896 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409290878 1066788237 /nfs/dbraw/zinc/78/82/37/1066788237.db2.gz VKDFZWHABAHLSG-UHFFFAOYSA-N 0 0 592.834 3.964 40 30 KHEBRN NC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409291083 1066788476 /nfs/dbraw/zinc/78/84/76/1066788476.db2.gz BTNNLHJGMOLXCK-UHFFFAOYSA-N 0 0 511.416 3.737 40 30 KHEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409291238 1066788450 /nfs/dbraw/zinc/78/84/50/1066788450.db2.gz XAIOEEPPPVBRMR-UHFFFAOYSA-N 0 0 569.456 3.578 40 30 KHEBRN C=CCc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OC ZINC000409291246 1066788345 /nfs/dbraw/zinc/78/83/45/1066788345.db2.gz XDNZFRMHNDRTMB-UHFFFAOYSA-N 0 0 514.376 3.893 40 30 KHEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1[N+](=O)[O-] ZINC000409291514 1066788289 /nfs/dbraw/zinc/78/82/89/1066788289.db2.gz CWNLSARVUBJJDQ-UHFFFAOYSA-N 0 0 533.335 3.633 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC000409291585 1066278190 /nfs/dbraw/zinc/27/81/90/1066278190.db2.gz DDGCIFQIYDGNAK-UHFFFAOYSA-N 0 0 578.261 3.604 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)N1CCOCC1 ZINC000409291804 1066788382 /nfs/dbraw/zinc/78/83/82/1066788382.db2.gz BYFNQDKUJUDZDP-UHFFFAOYSA-N 0 0 527.419 3.576 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c(Br)c1 ZINC000409291934 1066787820 /nfs/dbraw/zinc/78/78/20/1066787820.db2.gz RPBVSEPHYWFCSS-UHFFFAOYSA-N 0 0 536.224 3.965 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409291975 1066787908 /nfs/dbraw/zinc/78/79/08/1066787908.db2.gz FAJOZXINXVVENV-UHFFFAOYSA-N 0 0 581.221 3.874 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409292025 1066787946 /nfs/dbraw/zinc/78/79/46/1066787946.db2.gz ZGDUHSFCAGHCPF-UHFFFAOYSA-N 0 0 533.335 3.597 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409292071 1066787901 /nfs/dbraw/zinc/78/79/01/1066787901.db2.gz ZKFYRSYIGVPBOE-GFCCVEGCSA-N 0 0 503.309 3.588 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(C)nc2ccc(Br)cc2c1=O ZINC000409292072 1066787865 /nfs/dbraw/zinc/78/78/65/1066787865.db2.gz ZKFYRSYIGVPBOE-LBPRGKRZSA-N 0 0 503.309 3.588 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Br)c1OCC(N)=O ZINC000409292145 1066787974 /nfs/dbraw/zinc/78/79/74/1066787974.db2.gz ZTSVOJQZLOHHEJ-UHFFFAOYSA-N 0 0 603.065 3.747 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409292175 1066787878 /nfs/dbraw/zinc/78/78/78/1066787878.db2.gz SJLBIBBFGVBSRY-UHFFFAOYSA-N 0 0 623.258 3.512 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)N4CCOCC4)cc3)cc21 ZINC000409292187 1066788011 /nfs/dbraw/zinc/78/80/11/1066788011.db2.gz SLMYBHHEDOHJIL-UHFFFAOYSA-N 0 0 538.560 3.938 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc([N+](=O)[O-])ccc3OCC(=O)N3CCOCC3)cc21 ZINC000409292241 1066788023 /nfs/dbraw/zinc/78/80/23/1066788023.db2.gz DDVPILMHKJENSO-UHFFFAOYSA-N 0 0 583.557 3.846 40 30 KHEBRN COc1cc(C=Nn2c(-c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc(OC)c1OCC(N)=O ZINC000409292328 1066278156 /nfs/dbraw/zinc/27/81/56/1066278156.db2.gz DNCWKNFSDMAAJT-UHFFFAOYSA-N 0 0 526.471 3.846 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(I)c1 ZINC000409292456 1066787831 /nfs/dbraw/zinc/78/78/31/1066787831.db2.gz TYFWEMGZPQZELY-UHFFFAOYSA-N 0 0 570.181 3.760 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OCC(=O)N4CCOCC4)c([N+](=O)[O-])c3)cc21 ZINC000409292520 1066787933 /nfs/dbraw/zinc/78/79/33/1066787933.db2.gz GYDFUGHILBVHCF-UHFFFAOYSA-N 0 0 583.557 3.846 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(O)c(OC)c1 ZINC000409292549 1066787963 /nfs/dbraw/zinc/78/79/63/1066787963.db2.gz HBDBWPGIMRSJEO-UHFFFAOYSA-N 0 0 528.144 3.922 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409292555 1066787892 /nfs/dbraw/zinc/78/78/92/1066787892.db2.gz HCKVZSAEIQMUBZ-UHFFFAOYSA-N 0 0 523.727 3.717 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1O ZINC000409292630 1066278337 /nfs/dbraw/zinc/27/83/37/1066278337.db2.gz HRFSOGGJGQQVFB-UHFFFAOYSA-N 0 0 514.117 3.668 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409292637 1066787955 /nfs/dbraw/zinc/78/79/55/1066787955.db2.gz FHSXXUVMLOTKPO-UHFFFAOYSA-N 0 0 567.194 3.699 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC#N ZINC000409292711 1066278230 /nfs/dbraw/zinc/27/82/30/1066278230.db2.gz UUQKCMLMPIKUPF-UHFFFAOYSA-N 0 0 553.154 3.865 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409292753 1066787941 /nfs/dbraw/zinc/78/79/41/1066787941.db2.gz VDGKBPWBEAOVLU-UHFFFAOYSA-N 0 0 568.586 3.947 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC(C)C)c(OC)c1 ZINC000409293433 1066787571 /nfs/dbraw/zinc/78/75/71/1066787571.db2.gz YKBNZCUFTNYBPG-UHFFFAOYSA-N 0 0 502.365 3.943 40 30 KHEBRN C=CCc1cc(C=Nn2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC000409293446 1066787406 /nfs/dbraw/zinc/78/74/06/1066787406.db2.gz YNXMALUMDJBFFK-UHFFFAOYSA-N 0 0 527.419 3.940 40 30 KHEBRN C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(=O)N1CCOCC1 ZINC000409293455 1066787382 /nfs/dbraw/zinc/78/73/82/1066787382.db2.gz IGVRUPJLALZANB-UHFFFAOYSA-N 0 0 569.456 3.714 40 30 KHEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OCC(=O)OC ZINC000409293633 1066787532 /nfs/dbraw/zinc/78/75/32/1066787532.db2.gz ZFTMZEAHKOHMSV-UHFFFAOYSA-N 0 0 600.207 3.905 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409293696 1066787581 /nfs/dbraw/zinc/78/75/81/1066787581.db2.gz JELFMBQULKTKGG-UHFFFAOYSA-N 0 0 535.398 3.740 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409293811 1066278030 /nfs/dbraw/zinc/27/80/30/1066278030.db2.gz LRDSRDXJMRZIOJ-UHFFFAOYSA-N 0 0 563.836 3.503 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409293919 1066787561 /nfs/dbraw/zinc/78/75/61/1066787561.db2.gz KAAZWCGQFYAKSY-CYBMUJFWSA-N 0 0 547.362 3.851 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2CC)cc1[N+](=O)[O-] ZINC000409293921 1066278266 /nfs/dbraw/zinc/27/82/66/1066278266.db2.gz KAAZWCGQFYAKSY-ZDUSSCGKSA-N 0 0 547.362 3.851 40 30 KHEBRN COC(=O)COc1cc(Br)c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409293978 1066787436 /nfs/dbraw/zinc/78/74/36/1066787436.db2.gz KLHOUGVSUMODGV-UHFFFAOYSA-N 0 0 539.180 3.673 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409294156 1066789316 /nfs/dbraw/zinc/78/93/16/1066789316.db2.gz LLFWWLRUSVSAFJ-UHFFFAOYSA-N 0 0 567.194 3.699 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)c(Cl)c1OCC(N)=O ZINC000409294180 1066789292 /nfs/dbraw/zinc/78/92/92/1066789292.db2.gz LPISIBOYZIFZOH-UHFFFAOYSA-N 0 0 558.614 3.638 40 30 KHEBRN CCOc1cc(C=Nn2c(-c3cc4c(cccc4OC)o3)nc3ccccc3c2=O)ccc1OCC(N)=O ZINC000409294245 1066789452 /nfs/dbraw/zinc/78/94/52/1066789452.db2.gz AQKHHOLVGZYWOX-UHFFFAOYSA-N 0 0 512.522 3.963 40 30 KHEBRN COC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cccc1[N+](=O)[O-] ZINC000409294870 1066789367 /nfs/dbraw/zinc/78/93/67/1066789367.db2.gz NDLFLPPEQCYHKB-UHFFFAOYSA-N 0 0 503.309 3.625 40 30 KHEBRN C#CCOc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1I ZINC000409294873 1066789266 /nfs/dbraw/zinc/78/92/66/1066789266.db2.gz CGQCCFIGRWIBPD-UHFFFAOYSA-N 0 0 522.140 3.966 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409295047 1066789523 /nfs/dbraw/zinc/78/95/23/1066789523.db2.gz NNRLBSNGMQMPKN-LLVKDONJSA-N 0 0 600.207 3.903 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409295050 1066278112 /nfs/dbraw/zinc/27/81/12/1066278112.db2.gz NNRLBSNGMQMPKN-NSHDSACASA-N 0 0 600.207 3.903 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Br)c1OCC(N)=O ZINC000409295093 1066278286 /nfs/dbraw/zinc/27/82/86/1066278286.db2.gz DBHMGORHGVLLJY-UHFFFAOYSA-N 0 0 552.223 3.800 40 30 KHEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1)N1CCOCC1 ZINC000409295145 1066789307 /nfs/dbraw/zinc/78/93/07/1066789307.db2.gz CWXPREJEHVUFAZ-UHFFFAOYSA-N 0 0 508.534 3.930 40 30 KHEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1OCC(N)=O ZINC000409295146 1066789378 /nfs/dbraw/zinc/78/93/78/1066789378.db2.gz CWZRFFBARAUYDW-UHFFFAOYSA-N 0 0 507.772 3.691 40 30 KHEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C ZINC000409295318 1066278076 /nfs/dbraw/zinc/27/80/76/1066278076.db2.gz DQZCKQVMHWHFEG-UHFFFAOYSA-N 0 0 547.362 3.987 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(I)c1OC(C)=O ZINC000409295342 1066789390 /nfs/dbraw/zinc/78/93/90/1066789390.db2.gz DUBUOSIZLBYKBL-UHFFFAOYSA-N 0 0 556.154 3.888 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409295609 1066789497 /nfs/dbraw/zinc/78/94/97/1066789497.db2.gz RBBODBSZRAYWEV-UHFFFAOYSA-N 0 0 521.125 3.923 40 30 KHEBRN COC(=O)COc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409295660 1066789533 /nfs/dbraw/zinc/78/95/33/1066789533.db2.gz FWTYUVYVJTWMBF-UHFFFAOYSA-N 0 0 554.151 3.572 40 30 KHEBRN O=C(COc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2ccccc2o1)N1CCOCC1 ZINC000409295892 1066278984 /nfs/dbraw/zinc/27/89/84/1066278984.db2.gz PLAHQNWPZLKUGU-UHFFFAOYSA-N 0 0 508.534 3.930 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(Br)c1 ZINC000409296087 1066789255 /nfs/dbraw/zinc/78/92/55/1066789255.db2.gz HAILDLYDRARNHI-UHFFFAOYSA-N 0 0 528.588 3.630 40 30 KHEBRN COC(=O)COc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409296336 1066278881 /nfs/dbraw/zinc/27/88/81/1066278881.db2.gz QPNLMXKGVWEBIX-UHFFFAOYSA-N 0 0 586.180 3.515 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1c(OCC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409296375 1066789019 /nfs/dbraw/zinc/78/90/19/1066789019.db2.gz HMZKNEYQWQOSRK-CYBMUJFWSA-N 0 0 547.362 3.987 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1c(OCC)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409296377 1066789440 /nfs/dbraw/zinc/78/94/40/1066789440.db2.gz HMZKNEYQWQOSRK-ZDUSSCGKSA-N 0 0 547.362 3.987 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409296705 1066788723 /nfs/dbraw/zinc/78/87/23/1066788723.db2.gz RBAMKMAWKBBNIP-UHFFFAOYSA-N 0 0 608.287 3.612 40 30 KHEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409296707 1066279043 /nfs/dbraw/zinc/27/90/43/1066279043.db2.gz IQSPWSNBFOFRLE-UHFFFAOYSA-N 0 0 553.531 3.838 40 30 KHEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409296830 1066788945 /nfs/dbraw/zinc/78/89/45/1066788945.db2.gz JIWCNGHBMWVQBO-UHFFFAOYSA-N 0 0 508.756 3.954 40 30 KHEBRN COC(=O)COc1c(OC)cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409296912 1066788900 /nfs/dbraw/zinc/78/89/00/1066788900.db2.gz JENBREGGATWEHJ-UHFFFAOYSA-N 0 0 547.362 3.807 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409297117 1066278771 /nfs/dbraw/zinc/27/87/71/1066278771.db2.gz JZOBONTVZLSKTD-JTQLQIEISA-N 0 0 568.178 3.961 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1[N+](=O)[O-] ZINC000409297118 1066279069 /nfs/dbraw/zinc/27/90/69/1066279069.db2.gz JZOBONTVZLSKTD-SNVBAGLBSA-N 0 0 568.178 3.961 40 30 KHEBRN COc1cc(Br)cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c1OCC(N)=O ZINC000409297248 1066278728 /nfs/dbraw/zinc/27/87/28/1066278728.db2.gz SUBMCXOQCBLHNG-UHFFFAOYSA-N 0 0 513.392 3.962 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)cc1Br ZINC000409297493 1066791772 /nfs/dbraw/zinc/79/17/72/1066791772.db2.gz WUDXTEHIMPFYGN-UHFFFAOYSA-N 0 0 608.287 3.612 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC#N ZINC000409297758 1066791825 /nfs/dbraw/zinc/79/18/25/1066791825.db2.gz XITMKARIZYJJFC-UHFFFAOYSA-N 0 0 521.125 3.923 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)OC)c(OC)c1 ZINC000409297916 1066791867 /nfs/dbraw/zinc/79/18/67/1066791867.db2.gz LOKCZCFZEIMGON-UHFFFAOYSA-N 0 0 600.207 3.769 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409298052 1066791382 /nfs/dbraw/zinc/79/13/82/1066791382.db2.gz VQYQZOMQIYEFAC-UHFFFAOYSA-N 0 0 522.743 3.590 40 30 KHEBRN C#CCOc1c(I)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409298101 1066791437 /nfs/dbraw/zinc/79/14/37/1066791437.db2.gz 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3.817 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409303255 1066790406 /nfs/dbraw/zinc/79/04/06/1066790406.db2.gz HSUIKIRVIOAVFG-UHFFFAOYSA-N 0 0 568.178 3.826 40 30 KHEBRN CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c(OCC(=O)N2CCOCC2)c1 ZINC000409303495 1066790354 /nfs/dbraw/zinc/79/03/54/1066790354.db2.gz HOVZOOHDHKVDMU-UHFFFAOYSA-N 0 0 551.603 3.996 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(OC)c(OCC(N)=O)c(OC)c3)cc21 ZINC000409303530 1066790396 /nfs/dbraw/zinc/79/03/96/1066790396.db2.gz HGQWECWQNTXXJD-UHFFFAOYSA-N 0 0 528.521 3.582 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409303689 1066279703 /nfs/dbraw/zinc/27/97/03/1066279703.db2.gz HSHMUFNAMVFRMP-UHFFFAOYSA-N 0 0 563.611 3.871 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(I)c1OCC(N)=O ZINC000409303720 1066790419 /nfs/dbraw/zinc/79/04/19/1066790419.db2.gz JJKTYYGYKJPIJV-UHFFFAOYSA-N 0 0 599.223 3.642 40 30 KHEBRN C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OC ZINC000409303852 1066790432 /nfs/dbraw/zinc/79/04/32/1066790432.db2.gz IFSGHBZEISNSGO-UHFFFAOYSA-N 0 0 500.349 3.639 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409303988 1066790330 /nfs/dbraw/zinc/79/03/30/1066790330.db2.gz PFZPERTWDRSONO-INIZCTEOSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409303991 1066279572 /nfs/dbraw/zinc/27/95/72/1066279572.db2.gz PFZPERTWDRSONO-MRXNPFEDSA-N 0 0 572.416 3.701 40 30 KHEBRN CCOC(=O)[C@H](C)Oc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cccc1OC ZINC000409304006 1066790283 /nfs/dbraw/zinc/79/02/83/1066790283.db2.gz IWCFYIWKPDEWJC-AWEZNQCLSA-N 0 0 502.365 3.943 40 30 KHEBRN CCOC(=O)[C@@H](C)Oc1c(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cccc1OC ZINC000409304007 1066790370 /nfs/dbraw/zinc/79/03/70/1066790370.db2.gz IWCFYIWKPDEWJC-CQSZACIVSA-N 0 0 502.365 3.943 40 30 KHEBRN CCOC(=O)COc1c(Br)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409304189 1066790386 /nfs/dbraw/zinc/79/03/86/1066790386.db2.gz JGOMLEJUADKIJJ-UHFFFAOYSA-N 0 0 568.178 3.962 40 30 KHEBRN CCOC(=O)COc1c(OC)cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OC ZINC000409304361 1066790293 /nfs/dbraw/zinc/79/02/93/1066790293.db2.gz LAIICIFYZZRZIY-UHFFFAOYSA-N 0 0 518.364 3.563 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC000409304482 1066790054 /nfs/dbraw/zinc/79/00/54/1066790054.db2.gz RMWRFLDXFYEKQU-UHFFFAOYSA-N 0 0 521.799 3.910 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409304639 1066790022 /nfs/dbraw/zinc/79/00/22/1066790022.db2.gz KLAVIKOAIRUZFL-CYBMUJFWSA-N 0 0 518.364 3.561 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409304642 1066789814 /nfs/dbraw/zinc/78/98/14/1066789814.db2.gz KLAVIKOAIRUZFL-ZDUSSCGKSA-N 0 0 518.364 3.561 40 30 KHEBRN COC(=O)COc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409304665 1066789982 /nfs/dbraw/zinc/78/99/82/1066789982.db2.gz KLPCCYYUSVAXGU-UHFFFAOYSA-N 0 0 517.336 3.799 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409304966 1066279733 /nfs/dbraw/zinc/27/97/33/1066279733.db2.gz MJNBNDPQXXLULU-UHFFFAOYSA-N 0 0 527.493 3.863 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000409305092 1066789793 /nfs/dbraw/zinc/78/97/93/1066789793.db2.gz MTGWAEMSOLACGI-UHFFFAOYSA-N 0 0 507.772 3.520 40 30 KHEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC000409305119 1066790008 /nfs/dbraw/zinc/79/00/08/1066790008.db2.gz MVHGJSSNOMJZLE-UHFFFAOYSA-N 0 0 536.430 3.978 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC000409305253 1066196066 /nfs/dbraw/zinc/19/60/66/1066196066.db2.gz UIEMWUPQNFPHRI-CYBMUJFWSA-N 0 0 517.336 3.842 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC000409305254 1066789858 /nfs/dbraw/zinc/78/98/58/1066789858.db2.gz UIEMWUPQNFPHRI-ZDUSSCGKSA-N 0 0 517.336 3.842 40 30 KHEBRN COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)OC(C)C ZINC000409305365 1066279589 /nfs/dbraw/zinc/27/95/89/1066279589.db2.gz MKTUJQIIKHMNSJ-UHFFFAOYSA-N 0 0 518.364 3.697 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409305422 1066789828 /nfs/dbraw/zinc/78/98/28/1066789828.db2.gz NFPBKZNCDNCNHY-JTQLQIEISA-N 0 0 523.727 3.852 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000409305425 1066789844 /nfs/dbraw/zinc/78/98/44/1066789844.db2.gz NFPBKZNCDNCNHY-SNVBAGLBSA-N 0 0 523.727 3.852 40 30 KHEBRN NC(=O)COc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000409305748 1066789886 /nfs/dbraw/zinc/78/98/86/1066789886.db2.gz NUKBSWINRJIEPK-UHFFFAOYSA-N 0 0 528.363 3.861 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC000409306089 1066790068 /nfs/dbraw/zinc/79/00/68/1066790068.db2.gz OHUVDNIJRFNOCS-UHFFFAOYSA-N 0 0 552.223 3.629 40 30 KHEBRN NC(=O)COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000409306447 1066279442 /nfs/dbraw/zinc/27/94/42/1066279442.db2.gz PVMKEQQYAMSMIV-UHFFFAOYSA-N 0 0 511.416 3.737 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(=O)N1CCOCC1 ZINC000409306453 1066790034 /nfs/dbraw/zinc/79/00/34/1066790034.db2.gz PHQKVEBPNIPPQF-UHFFFAOYSA-N 0 0 557.445 3.585 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1c(OCC(=O)N2CCOCC2)ccc2ccccc21 ZINC000409306837 1066279684 /nfs/dbraw/zinc/27/96/84/1066279684.db2.gz RXPKTRMJSUEGCW-UHFFFAOYSA-N 0 0 549.425 3.994 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)OC ZINC000409306849 1066789958 /nfs/dbraw/zinc/78/99/58/1066789958.db2.gz QXPLXIDOVFJPGC-UHFFFAOYSA-N 0 0 523.181 3.918 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(N)=O ZINC000409306955 1066279429 /nfs/dbraw/zinc/27/94/29/1066279429.db2.gz SNEIGNRFLSMSKY-UHFFFAOYSA-N 0 0 536.224 3.965 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(=O)N2CCOCC2)c(I)c1 ZINC000409307096 1066789913 /nfs/dbraw/zinc/78/99/13/1066789913.db2.gz QYRDQTIRMVPVNA-UHFFFAOYSA-N 0 0 737.130 3.796 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409307278 1066789871 /nfs/dbraw/zinc/78/98/71/1066789871.db2.gz SEFNNZDMTCDVGO-UHFFFAOYSA-N 0 0 541.442 3.745 40 30 KHEBRN CCOc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(Br)cc1OCC(=O)N1CCOCC1 ZINC000409307453 1066792669 /nfs/dbraw/zinc/79/26/69/1066792669.db2.gz UXKWHBFCPCVUTB-UHFFFAOYSA-N 0 0 608.287 3.748 40 30 KHEBRN CCOC(=O)COc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409307719 1066792736 /nfs/dbraw/zinc/79/27/36/1066792736.db2.gz UVVMMLPABBRXCG-UHFFFAOYSA-N 0 0 523.727 3.853 40 30 KHEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(OCC(=O)N4CCOCC4)c3)cc21 ZINC000409307913 1066792619 /nfs/dbraw/zinc/79/26/19/1066792619.db2.gz VLKYYBIDRNSXNL-UHFFFAOYSA-N 0 0 538.560 3.938 40 30 KHEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)ccc1O[C@@H](C)C(=O)OC ZINC000409308029 1066792649 /nfs/dbraw/zinc/79/26/49/1066792649.db2.gz WATWDGTVPVPYKT-AWEZNQCLSA-N 0 0 502.365 3.943 40 30 KHEBRN CCOC(=O)COc1ccc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc1OCC ZINC000409308051 1066792761 /nfs/dbraw/zinc/79/27/61/1066792761.db2.gz VYFQIYMTBPMPPL-UHFFFAOYSA-N 0 0 502.365 3.944 40 30 KHEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)ccc1O[C@H](C)C(=O)OC ZINC000409308060 1066792722 /nfs/dbraw/zinc/79/27/22/1066792722.db2.gz WATWDGTVPVPYKT-CQSZACIVSA-N 0 0 502.365 3.943 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409308090 1066279510 /nfs/dbraw/zinc/27/95/10/1066279510.db2.gz WDXIRNADFNKWOT-UHFFFAOYSA-N 0 0 577.863 3.893 40 30 KHEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409308375 1066792693 /nfs/dbraw/zinc/79/26/93/1066792693.db2.gz XBTYJJKQWOQQCY-UHFFFAOYSA-N 0 0 573.039 3.739 40 30 KHEBRN O=C(COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1)N1CCOCC1 ZINC000409308480 1066792641 /nfs/dbraw/zinc/79/26/41/1066792641.db2.gz XTYJVZPMSVAPGN-UHFFFAOYSA-N 0 0 508.534 3.930 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc(Cl)c1OCC(N)=O ZINC000409308533 1066279649 /nfs/dbraw/zinc/27/96/49/1066279649.db2.gz XXFXNYKETZVASD-UHFFFAOYSA-N 0 0 507.772 3.691 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c(Br)c1 ZINC000409308559 1066792729 /nfs/dbraw/zinc/79/27/29/1066792729.db2.gz YVOHAFDDJDVAPU-UHFFFAOYSA-N 0 0 587.066 3.993 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc(OC)c1OCC(=O)OC ZINC000409308650 1066792742 /nfs/dbraw/zinc/79/27/42/1066792742.db2.gz ZNYMVKVSQVALHF-UHFFFAOYSA-N 0 0 553.207 3.927 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409308660 1066792633 /nfs/dbraw/zinc/79/26/33/1066792633.db2.gz YEHYQLZKPJOSBE-JTQLQIEISA-N 0 0 523.727 3.852 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(Cl)cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1[N+](=O)[O-] ZINC000409308661 1066792709 /nfs/dbraw/zinc/79/27/09/1066792709.db2.gz YEHYQLZKPJOSBE-SNVBAGLBSA-N 0 0 523.727 3.852 40 30 KHEBRN CCOc1cc(C=Nn2c(CC)nc3ccc(Br)cc3c2=O)cc(Br)c1OCC(N)=O ZINC000409308941 1066792766 /nfs/dbraw/zinc/79/27/66/1066792766.db2.gz ZLSCWLJSRCNXPB-UHFFFAOYSA-N 0 0 552.223 3.629 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)OC(C)C ZINC000409308991 1066792702 /nfs/dbraw/zinc/79/27/02/1066792702.db2.gz ZXSFXGXJJVWIGS-UHFFFAOYSA-N 0 0 517.336 3.842 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(=O)N1CCOCC1 ZINC000409309010 1066792714 /nfs/dbraw/zinc/79/27/14/1066792714.db2.gz ZZLKREUIXBHOFF-UHFFFAOYSA-N 0 0 571.472 3.975 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OC ZINC000409309389 1066792748 /nfs/dbraw/zinc/79/27/48/1066792748.db2.gz GLCCUOHWMLVEIY-UHFFFAOYSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000409309751 1066792267 /nfs/dbraw/zinc/79/22/67/1066792267.db2.gz LZFJEZPCIWJVMT-UHFFFAOYSA-N 0 0 503.309 3.836 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409309818 1066792235 /nfs/dbraw/zinc/79/22/35/1066792235.db2.gz MUQRESQWZHAWLZ-LLVKDONJSA-N 0 0 536.770 3.980 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409309819 1066792280 /nfs/dbraw/zinc/79/22/80/1066792280.db2.gz MUQRESQWZHAWLZ-NSHDSACASA-N 0 0 536.770 3.980 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(N)=O ZINC000409310413 1066792308 /nfs/dbraw/zinc/79/23/08/1066792308.db2.gz UOZIAFKAYIVRGC-UHFFFAOYSA-N 0 0 507.772 3.520 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409310850 1066792284 /nfs/dbraw/zinc/79/22/84/1066792284.db2.gz WZHOKRMREREHRP-UHFFFAOYSA-N 0 0 577.863 3.893 40 30 KHEBRN NC(=O)COc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409310880 1066792209 /nfs/dbraw/zinc/79/22/09/1066792209.db2.gz CJRNQINGTOQRFX-UHFFFAOYSA-N 0 0 528.363 3.861 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc(OC)c1OCC(N)=O ZINC000409311148 1066792242 /nfs/dbraw/zinc/79/22/42/1066792242.db2.gz DNCPTPNIQSEMFU-UHFFFAOYSA-N 0 0 521.799 3.910 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409311343 1066792272 /nfs/dbraw/zinc/79/22/72/1066792272.db2.gz ZJCAHADWVQJVBB-UHFFFAOYSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409311899 1066792232 /nfs/dbraw/zinc/79/22/32/1066792232.db2.gz COHZNSCHRXRUQX-UHFFFAOYSA-N 0 0 602.442 3.538 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)N1CCOCC1 ZINC000409312436 1066792360 /nfs/dbraw/zinc/79/23/60/1066792360.db2.gz KYERCSZIPSBEBC-KRWDZBQOSA-N 0 0 557.445 3.801 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)N1CCOCC1 ZINC000409312437 1066792248 /nfs/dbraw/zinc/79/22/48/1066792248.db2.gz KYERCSZIPSBEBC-QGZVFWFLSA-N 0 0 557.445 3.801 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC000409312593 1066792292 /nfs/dbraw/zinc/79/22/92/1066792292.db2.gz MLYXCWQUTFLUMT-UHFFFAOYSA-N 0 0 592.288 3.994 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c(I)c1 ZINC000409312713 1066792336 /nfs/dbraw/zinc/79/23/36/1066792336.db2.gz HDXCQPGZOLXJJN-UHFFFAOYSA-N 0 0 583.224 3.853 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409312864 1066791959 /nfs/dbraw/zinc/79/19/59/1066791959.db2.gz ABKHHYBRFCTNLK-CYBMUJFWSA-N 0 0 547.362 3.851 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409312867 1066791900 /nfs/dbraw/zinc/79/19/00/1066791900.db2.gz ABKHHYBRFCTNLK-ZDUSSCGKSA-N 0 0 547.362 3.851 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC000409313039 1066791786 /nfs/dbraw/zinc/79/17/86/1066791786.db2.gz BAPQFTVMCUONLO-AWEZNQCLSA-N 0 0 532.391 3.951 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC000409313041 1066791922 /nfs/dbraw/zinc/79/19/22/1066791922.db2.gz BAPQFTVMCUONLO-CQSZACIVSA-N 0 0 532.391 3.951 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(OC)c1 ZINC000409313761 1066279390 /nfs/dbraw/zinc/27/93/90/1066279390.db2.gz CYQCGSRAGYPMIC-UHFFFAOYSA-N 0 0 502.365 3.944 40 30 KHEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)N1CCOCC1 ZINC000409314151 1066791972 /nfs/dbraw/zinc/79/19/72/1066791972.db2.gz RQMQEFWKOSCCLU-UHFFFAOYSA-N 0 0 583.483 3.968 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409315023 1066791814 /nfs/dbraw/zinc/79/18/14/1066791814.db2.gz MCFLKIZTLORKAH-UHFFFAOYSA-N 0 0 502.365 3.944 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC000409315048 1066791945 /nfs/dbraw/zinc/79/19/45/1066791945.db2.gz MPMKZKXCAOGNFH-UHFFFAOYSA-N 0 0 547.362 3.852 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)OC ZINC000409315133 1066791891 /nfs/dbraw/zinc/79/18/91/1066791891.db2.gz NLUBBPLZSKLYIO-UHFFFAOYSA-N 0 0 501.381 3.612 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)N2CCOCC2)c1 ZINC000409315227 1066791805 /nfs/dbraw/zinc/79/18/05/1066791805.db2.gz ICHFTBGDNVTLCL-KRWDZBQOSA-N 0 0 527.419 3.792 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)N2CCOCC2)c1 ZINC000409315231 1066791934 /nfs/dbraw/zinc/79/19/34/1066791934.db2.gz ICHFTBGDNVTLCL-QGZVFWFLSA-N 0 0 527.419 3.792 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409315399 1066791910 /nfs/dbraw/zinc/79/19/10/1066791910.db2.gz VEKHPSWYOYNTNZ-UHFFFAOYSA-N 0 0 567.194 3.529 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c(OC)c1 ZINC000409315507 1066793066 /nfs/dbraw/zinc/79/30/66/1066793066.db2.gz VUIGVKDCEOPJEQ-UHFFFAOYSA-N 0 0 532.391 3.953 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409315508 1066793112 /nfs/dbraw/zinc/79/31/12/1066793112.db2.gz VWAMGHSXVMLHHS-UHFFFAOYSA-N 0 0 616.469 3.928 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(I)c1 ZINC000409315939 1066793043 /nfs/dbraw/zinc/79/30/43/1066793043.db2.gz WOVMVMPAESAKHF-UHFFFAOYSA-N 0 0 639.288 3.836 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409316055 1066793183 /nfs/dbraw/zinc/79/31/83/1066793183.db2.gz KSVGKPMPNBHYSP-UHFFFAOYSA-N 0 0 572.416 3.530 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)ccc1OCC(N)=O ZINC000409316081 1066792876 /nfs/dbraw/zinc/79/28/76/1066792876.db2.gz LGUMKBPEYCIRNU-UHFFFAOYSA-N 0 0 522.197 3.620 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409316266 1066792974 /nfs/dbraw/zinc/79/29/74/1066792974.db2.gz LWPPXYBLJGMZJI-UHFFFAOYSA-N 0 0 587.471 3.639 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)ccc1OCC(N)=O ZINC000409316794 1066792906 /nfs/dbraw/zinc/79/29/06/1066792906.db2.gz MLRHDBYDCKCZKW-UHFFFAOYSA-N 0 0 513.392 3.962 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409316927 1066793010 /nfs/dbraw/zinc/79/30/10/1066793010.db2.gz RRPJYIZMJHGSRD-UHFFFAOYSA-N 0 0 527.419 3.621 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OCC(=O)N1CCOCC1 ZINC000409316991 1066280193 /nfs/dbraw/zinc/28/01/93/1066280193.db2.gz NILOFVUGXZXKEW-UHFFFAOYSA-N 0 0 547.837 3.885 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)OCC ZINC000409317183 1066280163 /nfs/dbraw/zinc/28/01/63/1066280163.db2.gz SIGKRUQHWFEVGQ-UHFFFAOYSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409317396 1066794893 /nfs/dbraw/zinc/79/48/93/1066794893.db2.gz PPBLMHHEYGCCTP-UHFFFAOYSA-N 0 0 567.194 3.529 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OCC)c(OC)c1 ZINC000409317522 1066794324 /nfs/dbraw/zinc/79/43/24/1066794324.db2.gz UUMHTEKPIRHECJ-UHFFFAOYSA-N 0 0 532.391 3.953 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1OCC(=O)OC ZINC000409317620 1066794256 /nfs/dbraw/zinc/79/42/56/1066794256.db2.gz QRLXEUMXMWDIHM-UHFFFAOYSA-N 0 0 502.365 3.944 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(N)=O)c(OC)c1 ZINC000409317908 1066794332 /nfs/dbraw/zinc/79/43/32/1066794332.db2.gz WPKPGDVSRIGCRJ-UHFFFAOYSA-N 0 0 613.250 3.861 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409318005 1066794299 /nfs/dbraw/zinc/79/42/99/1066794299.db2.gz UCZIFBGWVLMORG-CYBMUJFWSA-N 0 0 517.336 3.842 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC000409318007 1066280325 /nfs/dbraw/zinc/28/03/25/1066280325.db2.gz UCZIFBGWVLMORG-ZDUSSCGKSA-N 0 0 517.336 3.842 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC(=O)N2CCOCC2)c1 ZINC000409318146 1066794368 /nfs/dbraw/zinc/79/43/68/1066794368.db2.gz TWQWBSNNTULTQZ-UHFFFAOYSA-N 0 0 527.419 3.621 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409318863 1066794440 /nfs/dbraw/zinc/79/44/40/1066794440.db2.gz YGNNEWANJALBMT-LLVKDONJSA-N 0 0 536.770 3.980 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409318864 1066794349 /nfs/dbraw/zinc/79/43/49/1066794349.db2.gz YGNNEWANJALBMT-NSHDSACASA-N 0 0 536.770 3.980 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)OCC ZINC000409319133 1066794249 /nfs/dbraw/zinc/79/42/49/1066794249.db2.gz APMFCMDTDIGEIQ-UHFFFAOYSA-N 0 0 517.336 3.844 40 30 KHEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(N)=O ZINC000409319161 1066794271 /nfs/dbraw/zinc/79/42/71/1066794271.db2.gz BHIQUGBHQWXMBN-UHFFFAOYSA-N 0 0 527.419 3.985 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409319327 1066794308 /nfs/dbraw/zinc/79/43/08/1066794308.db2.gz DOQNKOZLRFGUDR-UHFFFAOYSA-N 0 0 558.389 3.870 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409319827 1066794288 /nfs/dbraw/zinc/79/42/88/1066794288.db2.gz MHRZUXXPBCFALU-UHFFFAOYSA-N 0 0 536.770 3.810 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000409320169 1066794339 /nfs/dbraw/zinc/79/43/39/1066794339.db2.gz CEEDJYMOFBMNSW-INIZCTEOSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000409320172 1066794260 /nfs/dbraw/zinc/79/42/60/1066794260.db2.gz CEEDJYMOFBMNSW-MRXNPFEDSA-N 0 0 572.416 3.701 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409320392 1066793871 /nfs/dbraw/zinc/79/38/71/1066793871.db2.gz CZDCKIAFYPZWPA-UHFFFAOYSA-N 0 0 581.221 3.919 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(=O)N1CCOCC1 ZINC000409320460 1066794239 /nfs/dbraw/zinc/79/42/39/1066794239.db2.gz AZMPWJOREHENCG-UHFFFAOYSA-N 0 0 527.419 3.621 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409320833 1066793901 /nfs/dbraw/zinc/79/39/01/1066793901.db2.gz COCMJTFVOFGAOX-KRWDZBQOSA-N 0 0 527.419 3.792 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000409320836 1066793956 /nfs/dbraw/zinc/79/39/56/1066793956.db2.gz COCMJTFVOFGAOX-QGZVFWFLSA-N 0 0 527.419 3.792 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000409321039 1066793814 /nfs/dbraw/zinc/79/38/14/1066793814.db2.gz GKEGVMJMEOUQIK-UHFFFAOYSA-N 0 0 547.362 3.852 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)OC ZINC000409321298 1066793892 /nfs/dbraw/zinc/79/38/92/1066793892.db2.gz FNMKFWSRSCXHMY-UHFFFAOYSA-N 0 0 517.336 3.844 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409321692 1066793920 /nfs/dbraw/zinc/79/39/20/1066793920.db2.gz GYUYYJICEPLXLF-INIZCTEOSA-N 0 0 602.442 3.709 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000409321693 1066793846 /nfs/dbraw/zinc/79/38/46/1066793846.db2.gz GYUYYJICEPLXLF-MRXNPFEDSA-N 0 0 602.442 3.709 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OCC)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC000409321891 1066793830 /nfs/dbraw/zinc/79/38/30/1066793830.db2.gz HWRLPEJRICJDBV-UHFFFAOYSA-N 0 0 546.378 3.555 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@@H](C)C(=O)OC ZINC000409321962 1066793889 /nfs/dbraw/zinc/79/38/89/1066793889.db2.gz ICEPLLOWICEJPJ-AWEZNQCLSA-N 0 0 502.365 3.943 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OC)c1O[C@H](C)C(=O)OC ZINC000409321966 1066793822 /nfs/dbraw/zinc/79/38/22/1066793822.db2.gz ICEPLLOWICEJPJ-CQSZACIVSA-N 0 0 502.365 3.943 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409322513 1066793866 /nfs/dbraw/zinc/79/38/66/1066793866.db2.gz LOTUGFZASLEZLK-KRWDZBQOSA-N 0 0 587.471 3.810 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000409322516 1066793910 /nfs/dbraw/zinc/79/39/10/1066793910.db2.gz LOTUGFZASLEZLK-QGZVFWFLSA-N 0 0 587.471 3.810 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000409322593 1066793461 /nfs/dbraw/zinc/79/34/61/1066793461.db2.gz KVJJDWUODGVEGJ-UHFFFAOYSA-N 0 0 572.416 3.530 40 30 KHEBRN COc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cc(OC)c1OCC(N)=O ZINC000409322837 1066793377 /nfs/dbraw/zinc/79/33/77/1066793377.db2.gz LSPGTHREFNIUNT-UHFFFAOYSA-N 0 0 543.418 3.970 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409323092 1066280051 /nfs/dbraw/zinc/28/00/51/1066280051.db2.gz NALQBSGQLGHUEL-INIZCTEOSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409323093 1066280300 /nfs/dbraw/zinc/28/03/00/1066280300.db2.gz NALQBSGQLGHUEL-MRXNPFEDSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)N1CCOCC1 ZINC000409323595 1066793572 /nfs/dbraw/zinc/79/35/72/1066793572.db2.gz ONXMGHYPJOVMFL-GOSISDBHSA-N 0 0 570.488 3.858 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1OCC(=O)N1CCOCC1 ZINC000409323597 1066280065 /nfs/dbraw/zinc/28/00/65/1066280065.db2.gz ONXMGHYPJOVMFL-SFHVURJKSA-N 0 0 570.488 3.858 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC000409323602 1066793557 /nfs/dbraw/zinc/79/35/57/1066793557.db2.gz OQFBRGOGIYQAAD-UHFFFAOYSA-N 0 0 637.285 3.902 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(N)=O)c(OCC)c1 ZINC000409323642 1066793396 /nfs/dbraw/zinc/79/33/96/1066793396.db2.gz OTMMGRYCQKGAEO-UHFFFAOYSA-N 0 0 501.381 3.647 40 30 KHEBRN NC(=O)COc1c(C=Nn2c(=O)c3cc(Br)ccc3nc2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000409323906 1066793473 /nfs/dbraw/zinc/79/34/73/1066793473.db2.gz QAGCAQQSJPDIRT-UHFFFAOYSA-N 0 0 528.363 3.861 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC#N)c([N+](=O)[O-])c1 ZINC000409323986 1066793438 /nfs/dbraw/zinc/79/34/38/1066793438.db2.gz QJVTYWMCEXQVIW-UHFFFAOYSA-N 0 0 500.309 3.813 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409324064 1066793587 /nfs/dbraw/zinc/79/35/87/1066793587.db2.gz RUMQAKRGTAFLNY-UHFFFAOYSA-N 0 0 581.221 3.919 40 30 KHEBRN C=CCc1cc(C=Nn2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC000409324130 1066280086 /nfs/dbraw/zinc/28/00/86/1066280086.db2.gz SHQQIEQBEBOPGR-UHFFFAOYSA-N 0 0 527.419 3.985 40 30 KHEBRN C=CCc1cc(C=Nn2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC000409324602 1066793515 /nfs/dbraw/zinc/79/35/15/1066793515.db2.gz UZMFKEFYJASEPD-UHFFFAOYSA-N 0 0 513.392 3.595 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC000409324680 1066793452 /nfs/dbraw/zinc/79/34/52/1066793452.db2.gz ULTQELUAMHKNSV-UHFFFAOYSA-N 0 0 557.445 3.630 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(I)c(OCC(N)=O)c(OCC)c1 ZINC000409324686 1066793563 /nfs/dbraw/zinc/79/35/63/1066793563.db2.gz UVADDAYKHDCQIQ-UHFFFAOYSA-N 0 0 613.250 3.861 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC000409324688 1066280290 /nfs/dbraw/zinc/28/02/90/1066280290.db2.gz UWDAYJGEOLCRFJ-UHFFFAOYSA-N 0 0 547.837 3.885 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCC(N)=O ZINC000409324854 1066280178 /nfs/dbraw/zinc/28/01/78/1066280178.db2.gz VWVRINRYJGVFSG-CYBMUJFWSA-N 0 0 546.378 3.726 40 30 KHEBRN 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BPNKTZIHABHPLG-DFXXOVSGSA-N 0 0 592.677 3.794 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)C1=O ZINC000409385633 1066816313 /nfs/dbraw/zinc/81/63/13/1066816313.db2.gz BPNKTZIHABHPLG-TXTDGAROSA-N 0 0 592.677 3.794 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)C1=O ZINC000409385695 1066815702 /nfs/dbraw/zinc/81/57/02/1066815702.db2.gz CEPLKZBDQDPMMQ-MYXKAAJQSA-N 0 0 547.080 3.660 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)C1=O ZINC000409385698 1066815688 /nfs/dbraw/zinc/81/56/88/1066815688.db2.gz CEPLKZBDQDPMMQ-QQYUXEJHSA-N 0 0 547.080 3.660 40 30 KHEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)S2)c1 ZINC000409385758 1066283506 /nfs/dbraw/zinc/28/35/06/1066283506.db2.gz KABDNCYYZHBZMV-MOSHPQCFSA-N 0 0 516.417 3.887 40 30 KHEBRN COCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)SC1=Nc1ccccc1 ZINC000409385776 1066815704 /nfs/dbraw/zinc/81/57/04/1066815704.db2.gz KGKGLNLHVYNGOY-MTTLQMSQSA-N 0 0 560.470 3.937 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386364 1066815166 /nfs/dbraw/zinc/81/51/66/1066815166.db2.gz FBBNDYBRRXLBID-BHUPMCRJSA-N 0 0 577.662 3.847 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386370 1066815117 /nfs/dbraw/zinc/81/51/17/1066815117.db2.gz FBBNDYBRRXLBID-HRDPAUATSA-N 0 0 577.662 3.847 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386889 1066814517 /nfs/dbraw/zinc/81/45/17/1066814517.db2.gz HEVOLWJNQWOTQT-HRNPCJQISA-N 0 0 553.665 3.900 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409386890 1066814511 /nfs/dbraw/zinc/81/45/11/1066814511.db2.gz HEVOLWJNQWOTQT-ZIIZBSPPSA-N 0 0 553.665 3.900 40 30 KHEBRN C#CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I ZINC000409387014 1066813852 /nfs/dbraw/zinc/81/38/52/1066813852.db2.gz SLUKWOUSUMJFFY-LICLKQGHSA-N 0 0 523.304 3.919 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409388513 1066823961 /nfs/dbraw/zinc/82/39/61/1066823961.db2.gz MBYCPSKKWTYQOY-FPHZCIQXSA-N 0 0 607.688 3.856 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409388516 1066285734 /nfs/dbraw/zinc/28/57/34/1066285734.db2.gz MBYCPSKKWTYQOY-JYRLHFSUSA-N 0 0 607.688 3.856 40 30 KHEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I ZINC000409388686 1066285814 /nfs/dbraw/zinc/28/58/14/1066285814.db2.gz WFXBVQDKFUWBQC-ATVHPVEESA-N 0 0 512.369 3.905 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)C1=O ZINC000409389249 1066823523 /nfs/dbraw/zinc/82/35/23/1066823523.db2.gz PHXYUMUQGTUUSO-CJJGVWJISA-N 0 0 532.625 3.777 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)C1=O ZINC000409389256 1066823630 /nfs/dbraw/zinc/82/36/30/1066823630.db2.gz PHXYUMUQGTUUSO-CZNAVJSXSA-N 0 0 532.625 3.777 40 30 KHEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1I ZINC000409389441 1066822993 /nfs/dbraw/zinc/82/29/93/1066822993.db2.gz ZCUVJOUJGFYKGP-BKUYFWCQSA-N 0 0 558.397 3.924 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409389617 1066823020 /nfs/dbraw/zinc/82/30/20/1066823020.db2.gz QRUHZUKEKQWUMF-LQZWJFLISA-N 0 0 547.636 3.838 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000409389621 1066822971 /nfs/dbraw/zinc/82/29/71/1066822971.db2.gz QRUHZUKEKQWUMF-LSFVIGSVSA-N 0 0 547.636 3.838 40 30 KHEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)C1=O ZINC000409389682 1066823135 /nfs/dbraw/zinc/82/31/35/1066823135.db2.gz RGLMFFIJTYVKMY-CJJGVWJISA-N 0 0 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O=C(COc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409405934 1066830583 /nfs/dbraw/zinc/83/05/83/1066830583.db2.gz PLJVEDSRNJNXCZ-UHFFFAOYSA-N 0 0 547.955 3.745 40 30 KHEBRN O=C(COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Cl)N1CCOCC1 ZINC000409406255 1066830312 /nfs/dbraw/zinc/83/03/12/1066830312.db2.gz WXIAOCRTTAZHIV-UHFFFAOYSA-N 0 0 502.958 3.837 40 30 KHEBRN CCOc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(Br)cc1OCC(N)=O ZINC000409406631 1066830287 /nfs/dbraw/zinc/83/02/87/1066830287.db2.gz XZFDSASLJCCMOQ-UHFFFAOYSA-N 0 0 521.371 3.971 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409407669 1066837721 /nfs/dbraw/zinc/83/77/21/1066837721.db2.gz VFUIZQUNLPAYMW-INIZCTEOSA-N 0 0 502.483 3.803 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409407670 1066838063 /nfs/dbraw/zinc/83/80/63/1066838063.db2.gz VFUIZQUNLPAYMW-MRXNPFEDSA-N 0 0 502.483 3.803 40 30 KHEBRN O=C(COc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC000409408830 1066837279 /nfs/dbraw/zinc/83/72/79/1066837279.db2.gz ZNGXJQQDHDQRSN-UHFFFAOYSA-N 0 0 547.955 3.745 40 30 KHEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)OC ZINC000409408848 1066837174 /nfs/dbraw/zinc/83/71/74/1066837174.db2.gz ZPLVMYCKRGMDBS-UHFFFAOYSA-N 0 0 502.483 3.804 40 30 KHEBRN C=CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1)S(C)(=O)=O ZINC000409411209 1066834469 /nfs/dbraw/zinc/83/44/69/1066834469.db2.gz UUOPIXPAOHOIDM-UHFFFAOYSA-N 0 0 515.613 3.700 40 30 KHEBRN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000409412171 1066834720 /nfs/dbraw/zinc/83/47/20/1066834720.db2.gz SMYBJDPBPAGNNS-UHFFFAOYSA-N 0 0 511.575 3.974 40 30 KHEBRN NC(=O)C(=NNc1ccc(Br)cc1)C1=NC(=O)/C(=N/Nc2ccc(Br)cc2)S1 ZINC000409415735 1066834087 /nfs/dbraw/zinc/83/40/87/1066834087.db2.gz QOHBIRVBUCXCAH-VLIYBTCBSA-N 0 0 524.198 3.562 40 30 KHEBRN CNC(=O)CSC1=NNC(=C2C=CC(=NS(=O)(=O)c3ccc(C)cc3)C=C2)N1c1cccc(Cl)c1 ZINC000409416084 1066834049 /nfs/dbraw/zinc/83/40/49/1066834049.db2.gz HXZDBLQBWBRDEH-UHFFFAOYSA-N 0 0 528.059 3.976 40 30 KHEBRN C=C[C@@H]1C=C(C)[C@@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@]4(O)NC(=O)[C@@]5(O[C@@H]54)C(=O)[C@@H]31)[C@@H]1[C@H](C)C[C@H](C)C[C@]21C ZINC000514287838 560035911 /nfs/dbraw/zinc/03/59/11/560035911.db2.gz VRBMSPMIYHBFDQ-DSAUVCOKSA-N 0 0 503.639 3.828 40 30 biogenic,in-vitro KHEBRN C=C[C@@H]1C=C(C)[C@@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@]4(O)NC(=O)[C@@]5(O[C@@H]54)C(=O)[C@@H]31)[C@@H]1[C@H](C)C[C@@H](C)C[C@@]21C ZINC000514287843 560035935 /nfs/dbraw/zinc/03/59/35/560035935.db2.gz VRBMSPMIYHBFDQ-GPVPATLXSA-N 0 0 503.639 3.828 40 30 biogenic,in-vitro KHEBRN C=C[C@@H]1C=C(C)[C@@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@]4(O)NC(=O)[C@@]5(O[C@@H]54)C(=O)[C@@H]31)[C@@H]1[C@H](C)C[C@H](C)C[C@@]21C ZINC000514287844 560035920 /nfs/dbraw/zinc/03/59/20/560035920.db2.gz VRBMSPMIYHBFDQ-QFIQKUFFSA-N 0 0 503.639 3.828 40 30 biogenic,in-vitro KHEBRN C=C[C@@H]1C=C(C)[C@@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@]4(O)NC(=O)[C@@]5(O[C@@H]54)C(=O)[C@@H]31)[C@@H]1[C@H](C)C[C@@H](C)C[C@]21C ZINC000514287846 560035909 /nfs/dbraw/zinc/03/59/09/560035909.db2.gz VRBMSPMIYHBFDQ-XDXZTKQESA-N 0 0 503.639 3.828 40 30 biogenic,in-vitro KHEBRN COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O ZINC000584567009 1066303515 /nfs/dbraw/zinc/30/35/15/1066303515.db2.gz OGRGWTXWAZBJKF-IMEKIVGKSA-N 0 0 688.770 3.802 40 30 KHEBRN CCCCCCCCCCCCO[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000584578400 1066297195 /nfs/dbraw/zinc/29/71/95/1066297195.db2.gz PIEYYMFAQMSYFF-LROMGURASA-N 0 0 515.644 3.580 40 30 KHEBRN Cc1ccc(S(=O)(=O)OCCOc2ccc(C=O)cc2OCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000584906244 1066298014 /nfs/dbraw/zinc/29/80/14/1066298014.db2.gz QIUKSGMNDYVDRQ-UHFFFAOYSA-N 0 0 534.608 3.685 40 30 KHEBRN O=[N+]([O-])c1ccc(N=NC2[C@@H]3[C@@H]4[C@H]5[C@@H]3[C@@H]3C[C@H]5[C@H](C4N=Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H]23)c([N+](=O)[O-])c1 ZINC000585139678 1066298121 /nfs/dbraw/zinc/29/81/21/1066298121.db2.gz MPIVYDLQRSARCW-IFEQJOEHSA-N 0 0 534.445 3.943 40 30 KHEBRN Cc1nc(Nc2nc(C(=O)N3CCC(Oc4ccccn4)CC3)cs2)cc(C2CCN(CC#N)CC2)n1 ZINC000585293381 1066317857 /nfs/dbraw/zinc/31/78/57/1066317857.db2.gz GEDFDTCADGNHRR-UHFFFAOYSA-N 0 0 518.647 3.767 40 30 KHEBRN N#CCN1CCC(c2cccc(Nc3nc(C(=O)NCc4cccc(CN5CCOCC5)c4)cs3)n2)CC1 ZINC000585293469 1066318065 /nfs/dbraw/zinc/31/80/65/1066318065.db2.gz HUCQUESXFXSAPK-UHFFFAOYSA-N 0 0 531.686 3.747 40 30 KHEBRN COCCOCc1ccc(CNC(=O)c2csc(Nc3cc(C4CCN(CC#N)CC4)nc(C)n3)n2)cc1 ZINC000585294153 1066319127 /nfs/dbraw/zinc/31/91/27/1066319127.db2.gz OVLZYFFABFWOTN-UHFFFAOYSA-N 0 0 535.674 3.781 40 30 KHEBRN COc1ccccc1OCCN(C)C(=O)c1csc(Nc2cc(C)nc([C@H]3CCCN(CC#N)C3)n2)n1 ZINC000585294190 1066318444 /nfs/dbraw/zinc/31/84/44/1066318444.db2.gz PEFPYQMFLVVPCI-IBGZPJMESA-N 0 0 521.647 3.848 40 30 KHEBRN COc1ccccc1OCCN(C)C(=O)c1csc(Nc2cc(C)nc([C@@H]3CCCN(CC#N)C3)n2)n1 ZINC000585294197 1066318522 /nfs/dbraw/zinc/31/85/22/1066318522.db2.gz PEFPYQMFLVVPCI-LJQANCHMSA-N 0 0 521.647 3.848 40 30 KHEBRN N#CCN1CCC[C@@H](c2cccc(Nc3nc(C(=O)NCc4cccc(CN5CCOCC5)c4)cs3)n2)C1 ZINC000585294280 1066318995 /nfs/dbraw/zinc/31/89/95/1066318995.db2.gz PFRMKOQJKYCJRY-HSZRJFAPSA-N 0 0 531.686 3.747 40 30 KHEBRN N#CCN1CCC[C@H](c2cccc(Nc3nc(C(=O)NCc4cccc(CN5CCOCC5)c4)cs3)n2)C1 ZINC000585294286 1066319104 /nfs/dbraw/zinc/31/91/04/1066319104.db2.gz PFRMKOQJKYCJRY-QHCPKHFHSA-N 0 0 531.686 3.747 40 30 KHEBRN COc1ccccc1OCCN(C)C(=O)c1csc(Nc2cc(C3CCN(CC#N)CC3)nc(C)n2)n1 ZINC000585294325 1066318817 /nfs/dbraw/zinc/31/88/17/1066318817.db2.gz POYIDKXYSAJGCH-UHFFFAOYSA-N 0 0 521.647 3.848 40 30 KHEBRN COc1ccc(OCCN(C)C(=O)c2csc(Nc3cc([C@H]4CCCN(CC#N)C4)nc(C)n3)n2)cc1 ZINC000585294614 1066317959 /nfs/dbraw/zinc/31/79/59/1066317959.db2.gz SHSRAFGCZBXROZ-IBGZPJMESA-N 0 0 521.647 3.848 40 30 KHEBRN COc1ccc(OCCN(C)C(=O)c2csc(Nc3cc([C@@H]4CCCN(CC#N)C4)nc(C)n3)n2)cc1 ZINC000585294615 1066318418 /nfs/dbraw/zinc/31/84/18/1066318418.db2.gz SHSRAFGCZBXROZ-LJQANCHMSA-N 0 0 521.647 3.848 40 30 KHEBRN COc1ccc(OCCN(C)C(=O)c2csc(Nc3cc(C4CCN(CC#N)CC4)nc(C)n3)n2)cc1 ZINC000585294855 1066318246 /nfs/dbraw/zinc/31/82/46/1066318246.db2.gz VNNXIYUQXOBMTL-UHFFFAOYSA-N 0 0 521.647 3.848 40 30 KHEBRN COc1ccccc1OCCN(C)C(=O)c1csc(Nc2cc([C@H]3CCCN(CC#N)C3)nc(C)n2)n1 ZINC000585294993 1066491242 /nfs/dbraw/zinc/49/12/42/1066491242.db2.gz XNCIXKLRBOAMEU-IBGZPJMESA-N 0 0 521.647 3.848 40 30 KHEBRN COc1ccccc1OCCN(C)C(=O)c1csc(Nc2cc([C@@H]3CCCN(CC#N)C3)nc(C)n2)n1 ZINC000585294995 1066491315 /nfs/dbraw/zinc/49/13/15/1066491315.db2.gz XNCIXKLRBOAMEU-LJQANCHMSA-N 0 0 521.647 3.848 40 30 KHEBRN N#CCN1CCC[C@H]1c1cccc(Nc2nc(C(=O)NCc3cccc(CN4CCOCC4)c3)cs2)n1 ZINC000585295096 1066491447 /nfs/dbraw/zinc/49/14/47/1066491447.db2.gz ZWIJEQQXXYWRCC-DEOSSOPVSA-N 0 0 517.659 3.704 40 30 KHEBRN N#CCN1CCC[C@@H]1c1cccc(Nc2nc(C(=O)NCc3cccc(CN4CCOCC4)c3)cs2)n1 ZINC000585295097 1066318957 /nfs/dbraw/zinc/31/89/57/1066318957.db2.gz ZWIJEQQXXYWRCC-XMMPIXPASA-N 0 0 517.659 3.704 40 30 KHEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3cc(Cl)cc(Cl)c3OC)N2N1 ZINC000588226831 1066192961 /nfs/dbraw/zinc/19/29/61/1066192961.db2.gz AYRRJLNOHLUVMZ-GOSISDBHSA-N 0 0 526.243 3.827 40 30 KHEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3cc(Cl)cc(Cl)c3OC)N2N1 ZINC000588226832 1066192900 /nfs/dbraw/zinc/19/29/00/1066192900.db2.gz AYRRJLNOHLUVMZ-SFHVURJKSA-N 0 0 526.243 3.827 40 30 KHEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3c(C)nn(-c4ccccc4)c3Cl)N2N1 ZINC000588226958 1066193515 /nfs/dbraw/zinc/19/35/15/1066193515.db2.gz YYVOCEKFELDHHC-NRFANRHFSA-N 0 0 541.862 3.659 40 30 KHEBRN C=CCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3c(C)nn(-c4ccccc4)c3Cl)N2N1 ZINC000588226959 1066193402 /nfs/dbraw/zinc/19/34/02/1066193402.db2.gz YYVOCEKFELDHHC-OAQYLSRUSA-N 0 0 541.862 3.659 40 30 KHEBRN COc1ccc(N2CCN(C(=O)ON3C(=O)[C@H]4CN(Cc5ccc(Oc6ccccc6)cc5)CCN4C3=O)CC2)cc1 ZINC000601032720 1066192920 /nfs/dbraw/zinc/19/29/20/1066192920.db2.gz JJXNIRULKJQOCI-MUUNZHRXSA-N 0 0 571.634 3.810 40 30 in-vitro KHEBRN COc1ccc(N2CCN(C(=O)ON3C(=O)[C@@H]4CN(Cc5ccc(Oc6ccccc6)cc5)CCN4C3=O)CC2)cc1 ZINC000601032721 1066192792 /nfs/dbraw/zinc/19/27/92/1066192792.db2.gz JJXNIRULKJQOCI-NDEPHWFRSA-N 0 0 571.634 3.810 40 30 in-vitro KHEBRN CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C[C@H]1C=NC=N1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000644163788 1066840583 /nfs/dbraw/zinc/84/05/83/1066840583.db2.gz HEQJUHLPFNQGJM-JIMJEQGWSA-N 0 0 578.799 3.639 40 30 KHEBRN CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C[C@H]1C=NC=N1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000644163789 1066840688 /nfs/dbraw/zinc/84/06/88/1066840688.db2.gz HEQJUHLPFNQGJM-KKUQBAQOSA-N 0 0 578.799 3.639 40 30 KHEBRN CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C[C@@H]1C=NC=N1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000644163790 1066840711 /nfs/dbraw/zinc/84/07/11/1066840711.db2.gz HEQJUHLPFNQGJM-TWJOJJKGSA-N 0 0 578.799 3.639 40 30 KHEBRN CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C[C@@H]1C=NC=N1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000644163791 1066840541 /nfs/dbraw/zinc/84/05/41/1066840541.db2.gz HEQJUHLPFNQGJM-UODIDJSMSA-N 0 0 578.799 3.639 40 30 KHEBRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC000685936010 1066503495 /nfs/dbraw/zinc/50/34/95/1066503495.db2.gz CIWBQSYVNNPZIQ-ADFXAVKSSA-N 0 0 504.595 3.818 40 30 KHEBRN C=CCN(CC=C)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)[C@@H](COC)CC1=O ZINC000685939169 1066289915 /nfs/dbraw/zinc/28/99/15/1066289915.db2.gz JORQLVMSNUQJAM-KTYJVNCESA-N 0 0 523.626 3.798 40 30 KHEBRN COc1ccc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)cc1N1CCN(CCOCCOCCOCCNC(=O)OC(C)(C)C)CC1 ZINC000685939948 1066839886 /nfs/dbraw/zinc/83/98/86/1066839886.db2.gz OEGAPZZXMCGEOI-UHFFFAOYSA-N 0 0 719.844 3.639 40 30 KHEBRN CN(C)c1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(OCC(=O)N2CCOCC2)c1 ZINC001531101462 1066867168 /nfs/dbraw/zinc/86/71/68/1066867168.db2.gz ARZMPYIXQKEPGL-MWLSYYOVSA-N 0 0 570.488 3.642 40 30 KHEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(I)c1OCC(N)=O ZINC001531101507 1066867223 /nfs/dbraw/zinc/86/72/23/1066867223.db2.gz DWELRKGTIAXZOE-KALUYTGESA-N 0 0 613.250 3.816 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531104868 1066867243 /nfs/dbraw/zinc/86/72/43/1066867243.db2.gz ARMQBDUOCYIXIY-DICXZTSXSA-N 0 0 527.419 3.576 40 30 KHEBRN COC(=O)COc1c(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cccc1OC ZINC001531109839 1066867192 /nfs/dbraw/zinc/86/71/92/1066867192.db2.gz VEZQDXYZOFDZDJ-ROTLSHHCSA-N 0 0 502.365 3.899 40 30 KHEBRN COC(=O)COc1cc(N(C)C)ccc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531109878 1066867125 /nfs/dbraw/zinc/86/71/25/1066867125.db2.gz XHJPMKSFWOWWDM-ZMFRSBBQSA-N 0 0 515.408 3.957 40 30 KHEBRN COC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531114759 1066867098 /nfs/dbraw/zinc/86/70/98/1066867098.db2.gz HUBHMLSOMNNBCY-ROTLSHHCSA-N 0 0 502.365 3.899 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cccc(OCC(=O)N2CCOCC2)c1 ZINC001531114760 1066867235 /nfs/dbraw/zinc/86/72/35/1066867235.db2.gz IKXKMLHQNCPDJI-DICXZTSXSA-N 0 0 527.419 3.576 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c(OC)c1 ZINC001531123927 1066867133 /nfs/dbraw/zinc/86/71/33/1066867133.db2.gz JQNZXXIWCIMPOM-DHRITJCHSA-N 0 0 502.365 3.944 40 30 KHEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531124391 1066867179 /nfs/dbraw/zinc/86/71/79/1066867179.db2.gz CAHQOERHZUSKRR-FDVSRXAVSA-N 0 0 587.471 3.594 40 30 KHEBRN COc1cc(Br)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(N)=O ZINC001531128341 1066867153 /nfs/dbraw/zinc/86/71/53/1066867153.db2.gz BPSGWPYHYYWXFW-KALUYTGESA-N 0 0 566.250 3.974 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531131362 1066867187 /nfs/dbraw/zinc/86/71/87/1066867187.db2.gz SISXGVTZMZIYGP-MWYAZZEHSA-N 0 0 536.770 3.764 40 30 KHEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc(Br)c1OCC(N)=O ZINC001531131584 1066867109 /nfs/dbraw/zinc/86/71/09/1066867109.db2.gz HHMNMFMHXIGYHK-KALUYTGESA-N 0 0 566.250 3.974 40 30 KHEBRN COC(=O)COc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1OC ZINC001531134517 1066867213 /nfs/dbraw/zinc/86/72/13/1066867213.db2.gz FNEJRUMQBKJRCR-ZRGSRPPYSA-N 0 0 532.391 3.908 40 30 KHEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531136169 1066867277 /nfs/dbraw/zinc/86/72/77/1066867277.db2.gz XSYSJYPBVUKILZ-FDVSRXAVSA-N 0 0 616.469 3.883 40 30 KHEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531139143 1066867258 /nfs/dbraw/zinc/86/72/58/1066867258.db2.gz QJBGYHNCYNFAKD-RAWMCFOBSA-N 0 0 546.378 3.510 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531142611 1066867263 /nfs/dbraw/zinc/86/72/63/1066867263.db2.gz IJAZIJQAEFJDDH-MWYAZZEHSA-N 0 0 536.770 3.764 40 30 KHEBRN COc1cc(Cl)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1OCC(N)=O ZINC001531142681 1066867897 /nfs/dbraw/zinc/86/78/97/1066867897.db2.gz NINMFWQWGVASBH-KALUYTGESA-N 0 0 521.799 3.865 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531144749 1066867770 /nfs/dbraw/zinc/86/77/70/1066867770.db2.gz FAJOZXINXVVENV-MWYAZZEHSA-N 0 0 581.221 3.874 40 30 KHEBRN C=CCc1cc(/C=N\n2c(C(C)(C)C)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC001531157144 1066867975 /nfs/dbraw/zinc/86/79/75/1066867975.db2.gz YNXMALUMDJBFFK-QDTIIGTASA-N 0 0 527.419 3.940 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531157468 1066867684 /nfs/dbraw/zinc/86/76/84/1066867684.db2.gz CEXGTRSVPRSZGV-CCVNUDIWSA-N 0 0 669.314 3.845 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531161853 1066867908 /nfs/dbraw/zinc/86/79/08/1066867908.db2.gz HATODIDNFLNASI-MWYAZZEHSA-N 0 0 581.221 3.874 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC(N)=O)c(Br)c1 ZINC001531162019 1066867986 /nfs/dbraw/zinc/86/79/86/1066867986.db2.gz RPBVSEPHYWFCSS-MRUKODCESA-N 0 0 536.224 3.965 40 30 KHEBRN COC(=O)COc1ccc([N+](=O)[O-])cc1/C=N\n1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC001531163005 1066867816 /nfs/dbraw/zinc/86/78/16/1066867816.db2.gz APQMRQCCCGDNGZ-MYKKPKGFSA-N 0 0 517.336 3.799 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccccc1OCC(=O)N1CCOCC1 ZINC001531177773 1066867704 /nfs/dbraw/zinc/86/77/04/1066867704.db2.gz BYFNQDKUJUDZDP-DICXZTSXSA-N 0 0 527.419 3.576 40 30 KHEBRN CCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531177957 1066867753 /nfs/dbraw/zinc/86/77/53/1066867753.db2.gz RBAMKMAWKBBNIP-UVHMKAGCSA-N 0 0 608.287 3.612 40 30 KHEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(Br)cc1OCC(N)=O ZINC001531186287 1066867943 /nfs/dbraw/zinc/86/79/43/1066867943.db2.gz PFVNJCLBUPBSFI-KALUYTGESA-N 0 0 566.250 3.974 40 30 KHEBRN COC(=O)COc1c(OC)cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531188336 1066867660 /nfs/dbraw/zinc/86/76/60/1066867660.db2.gz JENBREGGATWEHJ-GATIEOLUSA-N 0 0 547.362 3.807 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(N)=O)c(OC)c1 ZINC001531192231 1066867932 /nfs/dbraw/zinc/86/79/32/1066867932.db2.gz OHUVDNIJRFNOCS-KIBLKLHPSA-N 0 0 552.223 3.629 40 30 KHEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(=O)N1CCOCC1 ZINC001531192288 1066867729 /nfs/dbraw/zinc/86/77/29/1066867729.db2.gz ZZLKREUIXBHOFF-MWLSYYOVSA-N 0 0 571.472 3.975 40 30 KHEBRN COc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(=O)N1CCOCC1 ZINC001531192372 1066867785 /nfs/dbraw/zinc/86/77/85/1066867785.db2.gz PHQKVEBPNIPPQF-MBTHVWNTSA-N 0 0 557.445 3.585 40 30 KHEBRN COC(=O)COc1ccc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1[N+](=O)[O-] ZINC001531197258 1066867957 /nfs/dbraw/zinc/86/79/57/1066867957.db2.gz KLPCCYYUSVAXGU-MYKKPKGFSA-N 0 0 517.336 3.799 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531198010 1066867796 /nfs/dbraw/zinc/86/77/96/1066867796.db2.gz WDXIRNADFNKWOT-CCVNUDIWSA-N 0 0 577.863 3.893 40 30 KHEBRN CCOc1cc(/C=N\n2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)ccc1OCC(N)=O ZINC001531208168 1066867863 /nfs/dbraw/zinc/86/78/63/1066867863.db2.gz DKUCMQXACHEPDZ-ZRGSRPPYSA-N 0 0 501.381 3.602 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1cc(Br)ccc1OCC(N)=O ZINC001531208198 1066867845 /nfs/dbraw/zinc/86/78/45/1066867845.db2.gz SNEIGNRFLSMSKY-MRUKODCESA-N 0 0 536.224 3.965 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC001531209913 1066868582 /nfs/dbraw/zinc/86/85/82/1066868582.db2.gz MTGWAEMSOLACGI-KIBLKLHPSA-N 0 0 507.772 3.520 40 30 KHEBRN CC(C)(C)c1nc2ccc(Br)cc2c(=O)n1/N=C\c1ccc(OCC(N)=O)c(I)c1 ZINC001531216013 1066868611 /nfs/dbraw/zinc/86/86/11/1066868611.db2.gz TZHKMZBFVVHOCO-MRUKODCESA-N 0 0 583.224 3.807 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531217833 1066868454 /nfs/dbraw/zinc/86/84/54/1066868454.db2.gz URYWWJZQFALOBR-AZRQGOPLSA-N 0 0 502.365 3.943 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531217834 1066868555 /nfs/dbraw/zinc/86/85/55/1066868555.db2.gz URYWWJZQFALOBR-XHCMJAMOSA-N 0 0 502.365 3.943 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531224980 1066868568 /nfs/dbraw/zinc/86/85/68/1066868568.db2.gz GUPHWMVYUNBJTB-JFLMPSFJSA-N 0 0 572.416 3.530 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1O[C@H](C)C(=O)OC ZINC001531227143 1066868599 /nfs/dbraw/zinc/86/85/99/1066868599.db2.gz UIEMWUPQNFPHRI-LFWZTCNZSA-N 0 0 517.336 3.842 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1O[C@@H](C)C(=O)OC ZINC001531227144 1066868607 /nfs/dbraw/zinc/86/86/07/1066868607.db2.gz UIEMWUPQNFPHRI-ZGUVFNMESA-N 0 0 517.336 3.842 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531230156 1066868515 /nfs/dbraw/zinc/86/85/15/1066868515.db2.gz PFZPERTWDRSONO-JZNDDVEWSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531230160 1066868589 /nfs/dbraw/zinc/86/85/89/1066868589.db2.gz PFZPERTWDRSONO-NKZWWHGNSA-N 0 0 572.416 3.701 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(OCC)c1 ZINC001531230291 1066868602 /nfs/dbraw/zinc/86/86/02/1066868602.db2.gz RMWRFLDXFYEKQU-KBKYJPHKSA-N 0 0 521.799 3.910 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)OC ZINC001531234070 1066868595 /nfs/dbraw/zinc/86/85/95/1066868595.db2.gz GLCCUOHWMLVEIY-WYMPLXKRSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC001531234141 1066868473 /nfs/dbraw/zinc/86/84/73/1066868473.db2.gz LZFJEZPCIWJVMT-FOKLQQMPSA-N 0 0 503.309 3.836 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531234483 1066868631 /nfs/dbraw/zinc/86/86/31/1066868631.db2.gz ZJCAHADWVQJVBB-WYMPLXKRSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531236462 1066868546 /nfs/dbraw/zinc/86/85/46/1066868546.db2.gz WZHOKRMREREHRP-CCVNUDIWSA-N 0 0 577.863 3.893 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531238395 1066868501 /nfs/dbraw/zinc/86/85/01/1066868501.db2.gz MUQRESQWZHAWLZ-ABBGQUIISA-N 0 0 536.770 3.980 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531238396 1066868560 /nfs/dbraw/zinc/86/85/60/1066868560.db2.gz MUQRESQWZHAWLZ-JKPUNKBFSA-N 0 0 536.770 3.980 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(N)=O ZINC001531242725 1066869059 /nfs/dbraw/zinc/86/90/59/1066869059.db2.gz UOZIAFKAYIVRGC-KIBLKLHPSA-N 0 0 507.772 3.520 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531244936 1066869233 /nfs/dbraw/zinc/86/92/33/1066869233.db2.gz COHZNSCHRXRUQX-RWPZCVJISA-N 0 0 602.442 3.538 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c(I)c1 ZINC001531245002 1066869021 /nfs/dbraw/zinc/86/90/21/1066869021.db2.gz HDXCQPGZOLXJJN-OPEKNORGSA-N 0 0 583.224 3.853 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)OC ZINC001531245055 1066869123 /nfs/dbraw/zinc/86/91/23/1066869123.db2.gz NLUBBPLZSKLYIO-DHRITJCHSA-N 0 0 501.381 3.612 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC001531245058 1066869170 /nfs/dbraw/zinc/86/91/70/1066869170.db2.gz MPMKZKXCAOGNFH-BRJLIKDPSA-N 0 0 547.362 3.852 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531245187 1066869204 /nfs/dbraw/zinc/86/92/04/1066869204.db2.gz RRPJYIZMJHGSRD-JVWAILMASA-N 0 0 527.419 3.621 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OCC)c(OC)c1 ZINC001531245203 1066869224 /nfs/dbraw/zinc/86/92/24/1066869224.db2.gz UUMHTEKPIRHECJ-LGJNPRDNSA-N 0 0 532.391 3.953 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)OCC ZINC001531245237 1066869112 /nfs/dbraw/zinc/86/91/12/1066869112.db2.gz SIGKRUQHWFEVGQ-WYMPLXKRSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(N)=O)c(OC)c1 ZINC001531245278 1066869101 /nfs/dbraw/zinc/86/91/01/1066869101.db2.gz WPKPGDVSRIGCRJ-KBKYJPHKSA-N 0 0 613.250 3.861 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(OCC)c1 ZINC001531254845 1066869257 /nfs/dbraw/zinc/86/92/57/1066869257.db2.gz MCFLKIZTLORKAH-DHRITJCHSA-N 0 0 502.365 3.944 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(=O)N1CCOCC1 ZINC001531255761 1066869244 /nfs/dbraw/zinc/86/92/44/1066869244.db2.gz MLYXCWQUTFLUMT-MZJWZYIUSA-N 0 0 592.288 3.994 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531259131 1066869088 /nfs/dbraw/zinc/86/90/88/1066869088.db2.gz VEKHPSWYOYNTNZ-PGGKNCGUSA-N 0 0 567.194 3.529 40 30 KHEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531263400 1066869212 /nfs/dbraw/zinc/86/92/12/1066869212.db2.gz RQMQEFWKOSCCLU-OCSSWDANSA-N 0 0 583.483 3.968 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)c(OC)c1 ZINC001531263526 1066869184 /nfs/dbraw/zinc/86/91/84/1066869184.db2.gz VUIGVKDCEOPJEQ-LGJNPRDNSA-N 0 0 532.391 3.953 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(I)c1 ZINC001531269299 1066869145 /nfs/dbraw/zinc/86/91/45/1066869145.db2.gz WOVMVMPAESAKHF-MZJWZYIUSA-N 0 0 639.288 3.836 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc(OC)c1OCC(N)=O ZINC001531269710 1066869937 /nfs/dbraw/zinc/86/99/37/1066869937.db2.gz DNCPTPNIQSEMFU-KBKYJPHKSA-N 0 0 521.799 3.910 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)N1CCOCC1 ZINC001531269808 1066869907 /nfs/dbraw/zinc/86/99/07/1066869907.db2.gz KYERCSZIPSBEBC-HVAQTUQNSA-N 0 0 557.445 3.801 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)N1CCOCC1 ZINC001531269809 1066869800 /nfs/dbraw/zinc/86/98/00/1066869800.db2.gz KYERCSZIPSBEBC-PYWPZVNCSA-N 0 0 557.445 3.801 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531270098 1066869792 /nfs/dbraw/zinc/86/97/92/1066869792.db2.gz VWAMGHSXVMLHHS-MUFRIFMGSA-N 0 0 616.469 3.928 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OC)c(OC)c1 ZINC001531275170 1066869930 /nfs/dbraw/zinc/86/99/30/1066869930.db2.gz BAPQFTVMCUONLO-JUCPORTRSA-N 0 0 532.391 3.951 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OC)c(OC)c1 ZINC001531275171 1066869894 /nfs/dbraw/zinc/86/98/94/1066869894.db2.gz BAPQFTVMCUONLO-WOLHVBPDSA-N 0 0 532.391 3.951 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OC)c(OC)c1 ZINC001531275189 1066869915 /nfs/dbraw/zinc/86/99/15/1066869915.db2.gz CYQCGSRAGYPMIC-DHRITJCHSA-N 0 0 502.365 3.944 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)N2CCOCC2)c1 ZINC001531275222 1066869943 /nfs/dbraw/zinc/86/99/43/1066869943.db2.gz ICHFTBGDNVTLCL-JEWIKEISSA-N 0 0 527.419 3.792 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)N2CCOCC2)c1 ZINC001531275223 1066869871 /nfs/dbraw/zinc/86/98/71/1066869871.db2.gz ICHFTBGDNVTLCL-VSWHYLHOSA-N 0 0 527.419 3.792 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)OC ZINC001531275587 1066869806 /nfs/dbraw/zinc/86/98/06/1066869806.db2.gz QRLXEUMXMWDIHM-DHRITJCHSA-N 0 0 502.365 3.944 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)ccc1OCC(=O)N1CCOCC1 ZINC001531276667 1066869848 /nfs/dbraw/zinc/86/98/48/1066869848.db2.gz NILOFVUGXZXKEW-MZJWZYIUSA-N 0 0 547.837 3.885 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531277880 1066869900 /nfs/dbraw/zinc/86/99/00/1066869900.db2.gz ABKHHYBRFCTNLK-CJCQAYSXSA-N 0 0 547.362 3.851 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531277881 1066869840 /nfs/dbraw/zinc/86/98/40/1066869840.db2.gz ABKHHYBRFCTNLK-XIXVAHAYSA-N 0 0 547.362 3.851 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531277953 1066869891 /nfs/dbraw/zinc/86/98/91/1066869891.db2.gz KSVGKPMPNBHYSP-JFLMPSFJSA-N 0 0 572.416 3.530 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531282353 1066869863 /nfs/dbraw/zinc/86/98/63/1066869863.db2.gz PPBLMHHEYGCCTP-PGGKNCGUSA-N 0 0 567.194 3.529 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OCC(=O)N2CCOCC2)c1 ZINC001531282406 1066869923 /nfs/dbraw/zinc/86/99/23/1066869923.db2.gz TWQWBSNNTULTQZ-JVWAILMASA-N 0 0 527.419 3.621 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531283222 1066869949 /nfs/dbraw/zinc/86/99/49/1066869949.db2.gz LWPPXYBLJGMZJI-MUFRIFMGSA-N 0 0 587.471 3.639 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)ccc1OCC(N)=O ZINC001531285259 1066869824 /nfs/dbraw/zinc/86/98/24/1066869824.db2.gz LGUMKBPEYCIRNU-YSURURNPSA-N 0 0 522.197 3.620 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531285370 1066870412 /nfs/dbraw/zinc/87/04/12/1066870412.db2.gz UCZIFBGWVLMORG-LFWZTCNZSA-N 0 0 517.336 3.842 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 ZINC001531285373 1066870404 /nfs/dbraw/zinc/87/04/04/1066870404.db2.gz UCZIFBGWVLMORG-ZGUVFNMESA-N 0 0 517.336 3.842 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531285451 1066870380 /nfs/dbraw/zinc/87/03/80/1066870380.db2.gz YGNNEWANJALBMT-ABBGQUIISA-N 0 0 536.770 3.980 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531285453 1066870387 /nfs/dbraw/zinc/87/03/87/1066870387.db2.gz YGNNEWANJALBMT-JKPUNKBFSA-N 0 0 536.770 3.980 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)OCC ZINC001531291950 1066870345 /nfs/dbraw/zinc/87/03/45/1066870345.db2.gz APMFCMDTDIGEIQ-WYMPLXKRSA-N 0 0 517.336 3.844 40 30 KHEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OCC)c1OCC(N)=O ZINC001531297008 1066870336 /nfs/dbraw/zinc/87/03/36/1066870336.db2.gz BHIQUGBHQWXMBN-CCVNUDIWSA-N 0 0 527.419 3.985 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531297083 1066870393 /nfs/dbraw/zinc/87/03/93/1066870393.db2.gz MHRZUXXPBCFALU-KIBLKLHPSA-N 0 0 536.770 3.810 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531303304 1066870426 /nfs/dbraw/zinc/87/04/26/1066870426.db2.gz LOTUGFZASLEZLK-DXRBVMPTSA-N 0 0 587.471 3.810 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531303305 1066870358 /nfs/dbraw/zinc/87/03/58/1066870358.db2.gz LOTUGFZASLEZLK-HRXXRIAWSA-N 0 0 587.471 3.810 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC001531303339 1066870295 /nfs/dbraw/zinc/87/02/95/1066870295.db2.gz CEEDJYMOFBMNSW-JZNDDVEWSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC001531303340 1066870367 /nfs/dbraw/zinc/87/03/67/1066870367.db2.gz CEEDJYMOFBMNSW-NKZWWHGNSA-N 0 0 572.416 3.701 40 30 KHEBRN C=CCc1cc(/C=N/n2c(CCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC001531303432 1066870321 /nfs/dbraw/zinc/87/03/21/1066870321.db2.gz UZMFKEFYJASEPD-UVHMKAGCSA-N 0 0 513.392 3.595 40 30 KHEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531303513 1066870250 /nfs/dbraw/zinc/87/02/50/1066870250.db2.gz VWVRINRYJGVFSG-LGXUHMPSSA-N 0 0 546.378 3.726 40 30 KHEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531303519 1066870280 /nfs/dbraw/zinc/87/02/80/1066870280.db2.gz VWVRINRYJGVFSG-RCMPGLAHSA-N 0 0 546.378 3.726 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531303610 1066870286 /nfs/dbraw/zinc/87/02/86/1066870286.db2.gz NALQBSGQLGHUEL-JZNDDVEWSA-N 0 0 572.416 3.701 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531303617 1066870329 /nfs/dbraw/zinc/87/03/29/1066870329.db2.gz NALQBSGQLGHUEL-NKZWWHGNSA-N 0 0 572.416 3.701 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(N)=O ZINC001531303823 1066870941 /nfs/dbraw/zinc/87/09/41/1066870941.db2.gz RUMQAKRGTAFLNY-KIBLKLHPSA-N 0 0 581.221 3.919 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531303848 1066871059 /nfs/dbraw/zinc/87/10/59/1066871059.db2.gz WDHVXBYNUILYSO-UVHMKAGCSA-N 0 0 592.834 3.793 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531304491 1066871049 /nfs/dbraw/zinc/87/10/49/1066871049.db2.gz CZDCKIAFYPZWPA-KIBLKLHPSA-N 0 0 581.221 3.919 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531304514 1066870925 /nfs/dbraw/zinc/87/09/25/1066870925.db2.gz GKEGVMJMEOUQIK-BRJLIKDPSA-N 0 0 547.362 3.852 40 30 KHEBRN C=CCc1cc(/C=N/n2c(CCCC)nc3ccc(Br)cc3c2=O)cc(OC)c1OCC(N)=O ZINC001531304696 1066871101 /nfs/dbraw/zinc/87/11/01/1066871101.db2.gz SHQQIEQBEBOPGR-CCVNUDIWSA-N 0 0 527.419 3.985 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1 ZINC001531310421 1066870992 /nfs/dbraw/zinc/87/09/92/1066870992.db2.gz UWDAYJGEOLCRFJ-MZJWZYIUSA-N 0 0 547.837 3.885 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)OC ZINC001531311812 1066870912 /nfs/dbraw/zinc/87/09/12/1066870912.db2.gz FNMKFWSRSCXHMY-WYMPLXKRSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531311882 1066870843 /nfs/dbraw/zinc/87/08/43/1066870843.db2.gz HWRLPEJRICJDBV-RPPGKUMJSA-N 0 0 546.378 3.555 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC001531311984 1066871037 /nfs/dbraw/zinc/87/10/37/1066871037.db2.gz KVJJDWUODGVEGJ-JFLMPSFJSA-N 0 0 572.416 3.530 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(I)c(OCC(N)=O)c(OCC)c1 ZINC001531317791 1066871014 /nfs/dbraw/zinc/87/10/14/1066871014.db2.gz UVADDAYKHDCQIQ-KBKYJPHKSA-N 0 0 613.250 3.861 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531318607 1066871079 /nfs/dbraw/zinc/87/10/79/1066871079.db2.gz OQFBRGOGIYQAAD-UVHMKAGCSA-N 0 0 637.285 3.902 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531319223 1066871643 /nfs/dbraw/zinc/87/16/43/1066871643.db2.gz GYUYYJICEPLXLF-KXVDBBMMSA-N 0 0 602.442 3.709 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531319224 1066871682 /nfs/dbraw/zinc/87/16/82/1066871682.db2.gz GYUYYJICEPLXLF-WBBAFLOHSA-N 0 0 602.442 3.709 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c(OCC)c1 ZINC001531319385 1066871655 /nfs/dbraw/zinc/87/16/55/1066871655.db2.gz OTMMGRYCQKGAEO-LGJNPRDNSA-N 0 0 501.381 3.647 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC#N)c([N+](=O)[O-])c1 ZINC001531319405 1066871746 /nfs/dbraw/zinc/87/17/46/1066871746.db2.gz QJVTYWMCEXQVIW-WYMPLXKRSA-N 0 0 500.309 3.813 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)cc(OC)c1OCC(N)=O ZINC001531319456 1066871566 /nfs/dbraw/zinc/87/15/66/1066871566.db2.gz VXTZJLISXLJKGS-KIBLKLHPSA-N 0 0 552.223 3.629 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)N1CCOCC1 ZINC001531325236 1066871711 /nfs/dbraw/zinc/87/17/11/1066871711.db2.gz AZMPWJOREHENCG-JVWAILMASA-N 0 0 527.419 3.621 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531325242 1066871733 /nfs/dbraw/zinc/87/17/33/1066871733.db2.gz COCMJTFVOFGAOX-JEWIKEISSA-N 0 0 527.419 3.792 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC001531325243 1066871610 /nfs/dbraw/zinc/87/16/10/1066871610.db2.gz COCMJTFVOFGAOX-VSWHYLHOSA-N 0 0 527.419 3.792 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)OC ZINC001531325274 1066871702 /nfs/dbraw/zinc/87/17/02/1066871702.db2.gz ICEPLLOWICEJPJ-AZRQGOPLSA-N 0 0 502.365 3.943 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)OC ZINC001531325275 1066871599 /nfs/dbraw/zinc/87/15/99/1066871599.db2.gz ICEPLLOWICEJPJ-XHCMJAMOSA-N 0 0 502.365 3.943 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)N1CCOCC1 ZINC001531325359 1066871578 /nfs/dbraw/zinc/87/15/78/1066871578.db2.gz ONXMGHYPJOVMFL-DSWROXKMSA-N 0 0 570.488 3.858 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)N1CCOCC1 ZINC001531325362 1066871667 /nfs/dbraw/zinc/87/16/67/1066871667.db2.gz ONXMGHYPJOVMFL-IUUQDGFPSA-N 0 0 570.488 3.858 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)N1CCOCC1 ZINC001531325635 1066871515 /nfs/dbraw/zinc/87/15/15/1066871515.db2.gz YQSGYFOXOMYUEP-LQKURTRISA-N 0 0 557.445 3.630 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531325637 1066871754 /nfs/dbraw/zinc/87/17/54/1066871754.db2.gz YSZAJXMZAXMNGW-HVAQTUQNSA-N 0 0 557.445 3.801 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531325639 1066871691 /nfs/dbraw/zinc/87/16/91/1066871691.db2.gz YSZAJXMZAXMNGW-PYWPZVNCSA-N 0 0 557.445 3.801 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC001531326859 1066871553 /nfs/dbraw/zinc/87/15/53/1066871553.db2.gz WSZMVPVHNTXAOR-LQKURTRISA-N 0 0 557.445 3.630 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(OCC)c1 ZINC001531326962 1066871623 /nfs/dbraw/zinc/87/16/23/1066871623.db2.gz ULTQELUAMHKNSV-LQKURTRISA-N 0 0 557.445 3.630 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)OC)c(OC)c1 ZINC001531329111 1066871763 /nfs/dbraw/zinc/87/17/63/1066871763.db2.gz CIEVGIAKTRZBAT-BRJLIKDPSA-N 0 0 518.364 3.563 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)OCC)c([N+](=O)[O-])c1 ZINC001531329289 1066871531 /nfs/dbraw/zinc/87/15/31/1066871531.db2.gz OMBMBCIQMWCSAU-WYMPLXKRSA-N 0 0 517.336 3.844 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC001531329312 1066871723 /nfs/dbraw/zinc/87/17/23/1066871723.db2.gz RCBGVGTWZWPKNX-KBKYJPHKSA-N 0 0 521.799 3.910 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OCC)c(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC001531332629 1066872218 /nfs/dbraw/zinc/87/22/18/1066872218.db2.gz RBJHDLNZQHYGTN-BRJLIKDPSA-N 0 0 547.362 3.852 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531332745 1066872402 /nfs/dbraw/zinc/87/24/02/1066872402.db2.gz UBQOXGSAOKDDTE-RWPZCVJISA-N 0 0 602.442 3.538 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 ZINC001531333342 1066872237 /nfs/dbraw/zinc/87/22/37/1066872237.db2.gz HGLLVVJDAMHAPQ-RWPZCVJISA-N 0 0 536.430 3.807 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)c(OCC(N)=O)c([N+](=O)[O-])c1 ZINC001531339344 1066872339 /nfs/dbraw/zinc/87/23/39/1066872339.db2.gz KOFBVRVGXDFASQ-KIBLKLHPSA-N 0 0 536.770 3.810 40 30 KHEBRN CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)N1CCOCC1 ZINC001531339390 1066872351 /nfs/dbraw/zinc/87/23/51/1066872351.db2.gz MDFSFKZQFGZMHA-JEWIKEISSA-N 0 0 527.419 3.792 40 30 KHEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccccc1OCC(=O)N1CCOCC1 ZINC001531339392 1066872285 /nfs/dbraw/zinc/87/22/85/1066872285.db2.gz MDFSFKZQFGZMHA-VSWHYLHOSA-N 0 0 527.419 3.792 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(N)=O)c(Br)c1 ZINC001531339427 1066872393 /nfs/dbraw/zinc/87/23/93/1066872393.db2.gz NMOTZIVKEDLQBV-YSURURNPSA-N 0 0 522.197 3.620 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Br)c(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1 ZINC001531340512 1066872105 /nfs/dbraw/zinc/87/21/05/1066872105.db2.gz FSKUVROTSHVUTH-UVHMKAGCSA-N 0 0 637.285 3.902 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cccc(OC)c1OCC(=O)OCC ZINC001531340594 1066872362 /nfs/dbraw/zinc/87/23/62/1066872362.db2.gz KNMHJLKQQGEQTF-DHRITJCHSA-N 0 0 502.365 3.944 40 30 KHEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(N(C)C)cc1OCC(=O)N1CCOCC1 ZINC001531340825 1066872312 /nfs/dbraw/zinc/87/23/12/1066872312.db2.gz OYQBFZSVEKUDTK-STBIYBPSSA-N 0 0 570.488 3.687 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 ZINC001531340893 1066872203 /nfs/dbraw/zinc/87/22/03/1066872203.db2.gz RTWVXSMNPTVIRN-MZJWZYIUSA-N 0 0 592.288 3.994 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(OC)c(OCC(N)=O)cc1Br ZINC001531342706 1066872327 /nfs/dbraw/zinc/87/23/27/1066872327.db2.gz JJVFIGQJIBNDHI-KIBLKLHPSA-N 0 0 552.223 3.629 40 30 KHEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@@H](C)CC)ccc1OCC(N)=O ZINC001531347476 1066872269 /nfs/dbraw/zinc/87/22/69/1066872269.db2.gz HRETXTJEMUSJCZ-IETDBYTCSA-N 0 0 501.381 3.818 40 30 KHEBRN CCOc1cc(/C=N/n2c(=O)c3cc(Br)ccc3nc2[C@H](C)CC)ccc1OCC(N)=O ZINC001531347478 1066872174 /nfs/dbraw/zinc/87/21/74/1066872174.db2.gz HRETXTJEMUSJCZ-SVLFYUKMSA-N 0 0 501.381 3.818 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1OCC(=O)N1CCOCC1 ZINC001531347551 1066872371 /nfs/dbraw/zinc/87/23/71/1066872371.db2.gz NKXMAASAVUARPE-UVHMKAGCSA-N 0 0 592.834 3.793 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O[C@H](C)C(=O)OC ZINC001531350871 1066872384 /nfs/dbraw/zinc/87/23/84/1066872384.db2.gz BWZBOZILCOOMPA-LFWZTCNZSA-N 0 0 517.336 3.842 40 30 KHEBRN CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O[C@@H](C)C(=O)OC ZINC001531350874 1066872063 /nfs/dbraw/zinc/87/20/63/1066872063.db2.gz BWZBOZILCOOMPA-ZGUVFNMESA-N 0 0 517.336 3.842 40 30 KHEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC001531382610 1066872805 /nfs/dbraw/zinc/87/28/05/1066872805.db2.gz BCTIGVRBHFSBPR-NDZAJKAJSA-N 0 0 512.566 3.582 40 30 KHEBRN COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(Br)cc1OCC(N)=O ZINC001531382622 1066872832 /nfs/dbraw/zinc/87/28/32/1066872832.db2.gz BVLPLNAIFTWQLV-UVHMKAGCSA-N 0 0 507.344 3.581 40 30 KHEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC001531382771 1066872784 /nfs/dbraw/zinc/87/27/84/1066872784.db2.gz LAZGQLVCVMFJDR-OCSSWDANSA-N 0 0 577.435 3.954 40 30 KHEBRN C=CCc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(OC)c1OCC(=O)N1CCOCC1 ZINC001531382779 1066872841 /nfs/dbraw/zinc/87/28/41/1066872841.db2.gz LJPYGBYWNVQFMC-UZWMFBFFSA-N 0 0 538.604 3.920 40 30 KHEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c(Br)cc1OCC(=O)N1CCOCC1 ZINC001531382826 1066872731 /nfs/dbraw/zinc/87/27/31/1066872731.db2.gz NRHDVTFOEHLEDE-OCSSWDANSA-N 0 0 577.435 3.954 40 30 KHEBRN CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Br)c1OCC(N)=O ZINC001531382835 1066872680 /nfs/dbraw/zinc/87/26/80/1066872680.db2.gz OFBGMVDKNLZXOA-CCVNUDIWSA-N 0 0 521.371 3.971 40 30 KHEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(I)c1OCC(=O)N1CCOCC1 ZINC001531382841 1066872773 /nfs/dbraw/zinc/87/27/73/1066872773.db2.gz OLFLZUZNNNBELN-OCSSWDANSA-N 0 0 624.435 3.797 40 30 KHEBRN COc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCC(=O)N1CCOCC1 ZINC001531382843 1066872872 /nfs/dbraw/zinc/87/28/72/1066872872.db2.gz OQJLAZRCLYXZJH-OCSSWDANSA-N 0 0 532.984 3.845 40 30 KHEBRN COc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Br)c1OCC(N)=O ZINC001531383046 1066872651 /nfs/dbraw/zinc/87/26/51/1066872651.db2.gz VMXNYPJLKCBXMH-UVHMKAGCSA-N 0 0 507.344 3.581 40 30 KHEBRN CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc(I)c1OCC(N)=O ZINC001531383346 1066872761 /nfs/dbraw/zinc/87/27/61/1066872761.db2.gz GFIOYVIXGYYRBU-CCVNUDIWSA-N 0 0 568.371 3.813 40 30 KHEBRN O=C(COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Br)N1CCOCC1 ZINC001531383400 1066872851 /nfs/dbraw/zinc/87/28/51/1066872851.db2.gz IWGAVBDYYNDFDD-STBIYBPSSA-N 0 0 547.409 3.946 40 30 KHEBRN O=C(COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1I)N1CCOCC1 ZINC001531383805 1066872907 /nfs/dbraw/zinc/87/29/07/1066872907.db2.gz QLSMGUIGOOCZFE-STBIYBPSSA-N 0 0 594.409 3.788 40 30 KHEBRN O=C(COc1ccc(Cl)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)N1CCOCC1 ZINC001531384116 1066872917 /nfs/dbraw/zinc/87/29/17/1066872917.db2.gz CQZHINQQRUEYRY-STBIYBPSSA-N 0 0 502.958 3.837 40 30 KHEBRN O=C(COc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1Cl)N1CCOCC1 ZINC001531384218 1066872880 /nfs/dbraw/zinc/87/28/80/1066872880.db2.gz WXIAOCRTTAZHIV-STBIYBPSSA-N 0 0 502.958 3.837 40 30 KHEBRN CCOc1cc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c(Br)cc1OCC(N)=O ZINC001531384238 1066872798 /nfs/dbraw/zinc/87/27/98/1066872798.db2.gz XZFDSASLJCCMOQ-CCVNUDIWSA-N 0 0 521.371 3.971 40 30 KHEBRN CCOC(=O)COc1c(OC)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531384241 1066872707 /nfs/dbraw/zinc/87/27/07/1066872707.db2.gz FPLSDHHYXMDOOW-JFLMPSFJSA-N 0 0 502.483 3.804 40 30 KHEBRN O=C(COc1c(Br)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 ZINC001531384583 1066872818 /nfs/dbraw/zinc/87/28/18/1066872818.db2.gz IPRXQJHTXFGOLL-MUFRIFMGSA-N 0 0 592.406 3.854 40 30 KHEBRN O=C(COc1c(Cl)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 ZINC001531384958 1066872743 /nfs/dbraw/zinc/87/27/43/1066872743.db2.gz PLJVEDSRNJNXCZ-MUFRIFMGSA-N 0 0 547.955 3.745 40 30 KHEBRN O=C(COc1ccc(Br)cc1/C=N/n1c(=O)c2ccccc2nc1-c1ccccc1)N1CCOCC1 ZINC001531385244 1066872886 /nfs/dbraw/zinc/87/28/86/1066872886.db2.gz UBRXTPGEBXPQBZ-STBIYBPSSA-N 0 0 547.409 3.946 40 30 KHEBRN COC(=O)[C@@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385292 1066872896 /nfs/dbraw/zinc/87/28/96/1066872896.db2.gz VFUIZQUNLPAYMW-WJGWSCHNSA-N 0 0 502.483 3.803 40 30 KHEBRN COC(=O)[C@H](C)Oc1c(OC)cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC001531385294 1066873379 /nfs/dbraw/zinc/87/33/79/1066873379.db2.gz VFUIZQUNLPAYMW-ZXSUQFSISA-N 0 0 502.483 3.803 40 30 KHEBRN O=C(COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Br)cc1[N+](=O)[O-])N1CCOCC1 ZINC001531385506 1066873363 /nfs/dbraw/zinc/87/33/63/1066873363.db2.gz KSHKWHLEGSURJZ-MUFRIFMGSA-N 0 0 592.406 3.854 40 30 KHEBRN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc([N+](=O)[O-])c1OCC(=O)OC ZINC001531385638 1066873524 /nfs/dbraw/zinc/87/35/24/1066873524.db2.gz ZPLVMYCKRGMDBS-JFLMPSFJSA-N 0 0 502.483 3.804 40 30 KHEBRN O=C(COc1c(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)cc1[N+](=O)[O-])N1CCOCC1 ZINC001531385823 1066873527 /nfs/dbraw/zinc/87/35/27/1066873527.db2.gz ZNGXJQQDHDQRSN-MUFRIFMGSA-N 0 0 547.955 3.745 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCCCc2nc(-c3ccco3)no2)C(=O)C[C@H]1C ZINC001547138368 1066874068 /nfs/dbraw/zinc/87/40/68/1066874068.db2.gz JWRJGTZHTFNTAB-ZINBHQDNSA-N 0 0 541.944 3.598 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CC(c3nc(-c4cccnc4)no3)C2)C[C@H]1C ZINC001547138451 1066874063 /nfs/dbraw/zinc/87/40/63/1066874063.db2.gz AUFLJUCJKCNOPP-SRGMZFCMSA-N 0 0 522.945 3.708 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@@H]2c1ccccc1 ZINC001547138543 1066874093 /nfs/dbraw/zinc/87/40/93/1066874093.db2.gz NAFOWZXTXVFKNW-NQWLWARPSA-N 0 0 535.940 3.993 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccccc1 ZINC001547138545 1066874057 /nfs/dbraw/zinc/87/40/57/1066874057.db2.gz NAFOWZXTXVFKNW-ZHJPETKGSA-N 0 0 535.940 3.993 40 30 KHEBRN COc1ccc([C@@H]2c3c(nc(N)[nH]c3=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC001547138573 1066874652 /nfs/dbraw/zinc/87/46/52/1066874652.db2.gz CSTCSZZPRQKMKB-IDLIGQKASA-N 0 0 564.982 3.878 40 30 KHEBRN COc1ccc([C@H]2c3c(nc(N)[nH]c3=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC001547138575 1066874508 /nfs/dbraw/zinc/87/45/08/1066874508.db2.gz CSTCSZZPRQKMKB-OYEXJEOGSA-N 0 0 564.982 3.878 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N2CCN(C)CC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138652 1066874726 /nfs/dbraw/zinc/87/47/26/1066874726.db2.gz DSNLGFIRQAIMHH-OERWEXPNSA-N 0 0 615.079 3.754 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2CCN(C)CC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138654 1066874604 /nfs/dbraw/zinc/87/46/04/1066874604.db2.gz DSNLGFIRQAIMHH-YSZKKOMBSA-N 0 0 615.079 3.754 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)N2CCOCC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138683 1066874705 /nfs/dbraw/zinc/87/47/05/1066874705.db2.gz FIGIPVAAKCYAED-IGWBVUALSA-N 0 0 602.036 3.839 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)N2CCOCC2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138685 1066874577 /nfs/dbraw/zinc/87/45/77/1066874577.db2.gz FIGIPVAAKCYAED-UUJYQVMHSA-N 0 0 602.036 3.839 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCCC(=O)N2CCCC[C@@H]2c2cccnc2)C(=O)C[C@H]1C ZINC001547138789 1066874714 /nfs/dbraw/zinc/87/47/14/1066874714.db2.gz GWCIKNGDUWBHTR-LXUFGYIQSA-N 0 0 582.053 3.862 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCCC(=O)N2CCCC[C@H]2c2cccnc2)C(=O)C[C@H]1C ZINC001547138813 1066874610 /nfs/dbraw/zinc/87/46/10/1066874610.db2.gz GWCIKNGDUWBHTR-YYUOFJBOSA-N 0 0 582.053 3.862 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc(O)c(OC)c1 ZINC001547138898 1066874671 /nfs/dbraw/zinc/87/46/71/1066874671.db2.gz HRYIDRVXARJKOS-GAQROLNNSA-N 0 0 580.981 3.584 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc(O)c(OC)c1 ZINC001547138899 1066874594 /nfs/dbraw/zinc/87/45/94/1066874594.db2.gz HRYIDRVXARJKOS-MPWIDKEBSA-N 0 0 580.981 3.584 40 30 KHEBRN COCn1[nH]cnc1=NCCNC(=O)C[C@H](c1ccc(SC)cc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC001547138930 1066874643 /nfs/dbraw/zinc/87/46/43/1066874643.db2.gz WIZRSYRUSFVYJZ-AGALUIKZSA-N 0 0 686.187 3.834 40 30 KHEBRN COCn1[nH]cnc1=NCCNC(=O)C[C@@H](c1ccc(SC)cc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC001547138932 1066874584 /nfs/dbraw/zinc/87/45/84/1066874584.db2.gz WIZRSYRUSFVYJZ-QYMZFMKZSA-N 0 0 686.187 3.834 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCS(=O)(=O)N(C)CCc2ccccn2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138958 1066874494 /nfs/dbraw/zinc/87/44/94/1066874494.db2.gz IPMSNMJYIUJRPP-NEBKOWPMSA-N 0 0 758.246 3.996 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCS(=O)(=O)N(C)CCc2ccccn2)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547138964 1066874562 /nfs/dbraw/zinc/87/45/62/1066874562.db2.gz IPMSNMJYIUJRPP-WKHSVGTPSA-N 0 0 758.246 3.996 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc(OC)c(O)c1 ZINC001547138965 1066875323 /nfs/dbraw/zinc/87/53/23/1066875323.db2.gz IQGWCURMNDKNPF-GAQROLNNSA-N 0 0 580.981 3.584 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc(OC)c(O)c1 ZINC001547138966 1066875228 /nfs/dbraw/zinc/87/52/28/1066875228.db2.gz IQGWCURMNDKNPF-MPWIDKEBSA-N 0 0 580.981 3.584 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCC3(CC2)C(=O)NCN3c2ccccc2)C[C@H]1C ZINC001547139032 1066875386 /nfs/dbraw/zinc/87/53/86/1066875386.db2.gz AXGMEZQVAXCEFL-JWRCQZCYSA-N 0 0 552.027 3.592 40 30 KHEBRN COC(=O)c1ccc([C@@H]2c3c(nc(N)[nH]c3=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC001547139037 1066875263 /nfs/dbraw/zinc/87/52/63/1066875263.db2.gz ZGWNJKVXWUJOGQ-OTXITUIHSA-N 0 0 592.992 3.656 40 30 KHEBRN COC(=O)c1ccc([C@H]2c3c(nc(N)[nH]c3=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC001547139039 1066875200 /nfs/dbraw/zinc/87/52/00/1066875200.db2.gz ZGWNJKVXWUJOGQ-ZUIFZQIVSA-N 0 0 592.992 3.656 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccccc1 ZINC001547139105 1066875303 /nfs/dbraw/zinc/87/53/03/1066875303.db2.gz JUPJGAYFTCPYGN-NQWLWARPSA-N 0 0 534.956 3.870 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccccc1 ZINC001547139106 1066875185 /nfs/dbraw/zinc/87/51/85/1066875185.db2.gz JUPJGAYFTCPYGN-ZHJPETKGSA-N 0 0 534.956 3.870 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC001547139166 1066875245 /nfs/dbraw/zinc/87/52/45/1066875245.db2.gz KTPSPTKKGQHMFE-RVTQWTDJSA-N 0 0 625.034 3.895 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC001547139170 1066875354 /nfs/dbraw/zinc/87/53/54/1066875354.db2.gz KTPSPTKKGQHMFE-ZVUBDQBNSA-N 0 0 625.034 3.895 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC001547139196 1066875285 /nfs/dbraw/zinc/87/52/85/1066875285.db2.gz LTKYPCVOPXUGMQ-VGFRKDMCSA-N 0 0 611.007 3.592 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC001547139198 1066875167 /nfs/dbraw/zinc/87/51/67/1066875167.db2.gz LTKYPCVOPXUGMQ-YLUJPBCVSA-N 0 0 611.007 3.592 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC#N)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547139300 1066875409 /nfs/dbraw/zinc/87/54/09/1066875409.db2.gz MPBDOTIQKHZPGN-JRJBARMQSA-N 0 0 568.966 3.634 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCC#N)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C ZINC001547139303 1066875376 /nfs/dbraw/zinc/87/53/76/1066875376.db2.gz MPBDOTIQKHZPGN-XYQNDFJNSA-N 0 0 568.966 3.634 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139304 1066875396 /nfs/dbraw/zinc/87/53/96/1066875396.db2.gz MPRNQDPUJJVYBA-PPKSZUAGSA-N 0 0 684.167 3.702 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139305 1066875161 /nfs/dbraw/zinc/87/51/61/1066875161.db2.gz MPRNQDPUJJVYBA-VPWRUGTASA-N 0 0 684.167 3.702 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCc2nc(-c3ccc(N(C)C)cc3)no2)C(=O)C[C@H]1C ZINC001547139310 1066875339 /nfs/dbraw/zinc/87/53/39/1066875339.db2.gz MVCGJVDAFNSCLQ-KJLLGBKJSA-N 0 0 566.998 3.639 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@H](CC(=O)NCCN=c2nc[nH]n2C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139461 1066875403 /nfs/dbraw/zinc/87/54/03/1066875403.db2.gz QLFGESWKPXCALK-DSXRYIJDSA-N 0 0 656.161 3.767 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCCN=c2nc[nH]n2C)c2ccc(SC)cc2)C(=O)C[C@H]1C ZINC001547139462 1066875417 /nfs/dbraw/zinc/87/54/17/1066875417.db2.gz QLFGESWKPXCALK-LPGCABEGSA-N 0 0 656.161 3.767 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(N2CCN(C3=NCC(C)(C)S3)CC2)C[C@H]1C ZINC001547139467 1066875219 /nfs/dbraw/zinc/87/52/19/1066875219.db2.gz QPMOESPVOJGAPT-PWECECGKSA-N 0 0 520.051 3.663 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C(=CNCCSCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C(=O)C[C@H]1C ZINC001547139520 1066875425 /nfs/dbraw/zinc/87/54/25/1066875425.db2.gz RUAUEBWUUHANIR-WTPCRGFLSA-N 0 0 644.102 3.922 40 30 KHEBRN COc1cc([C@H]2c3c(nc(N)[nH]c3=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc2c1OCO2 ZINC001547139535 1066875858 /nfs/dbraw/zinc/87/58/58/1066875858.db2.gz SKIBSYLPBROFMZ-VGFRKDMCSA-N 0 0 608.991 3.607 40 30 KHEBRN COc1cc([C@@H]2c3c(nc(N)[nH]c3=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc2c1OCO2 ZINC001547139536 1066875933 /nfs/dbraw/zinc/87/59/33/1066875933.db2.gz SKIBSYLPBROFMZ-YLUJPBCVSA-N 0 0 608.991 3.607 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc(O)cc1 ZINC001547139669 1066875875 /nfs/dbraw/zinc/87/58/75/1066875875.db2.gz XMGBKLQNIDTMQI-KLPBISISSA-N 0 0 550.955 3.575 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1nc(N)[nH]c(=O)c1[C@@H]2c1ccc(O)cc1 ZINC001547139670 1066875896 /nfs/dbraw/zinc/87/58/96/1066875896.db2.gz XMGBKLQNIDTMQI-QVBQWYRXSA-N 0 0 550.955 3.575 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@H]1C ZINC001547203749 1066875884 /nfs/dbraw/zinc/87/58/84/1066875884.db2.gz VKHBNENNTADGEG-IFFQGCRTSA-N 0 0 762.212 3.904 40 30 KHEBRN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C([C@@H](CC(=O)NCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(O)c(OC)c2)C(=O)C[C@@H]1C ZINC001547203750 1066875924 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