smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1 ZINC000000931358 561675621 /nfs/dbraw/zinc/67/56/21/561675621.db2.gz GKUFBJUIIIBAHY-IZLXSDGUSA-N 0 0 532.641 4.490 1 0 KIAFRN CCOc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1 ZINC000000931359 561675580 /nfs/dbraw/zinc/67/55/80/561675580.db2.gz GKUFBJUIIIBAHY-VSGBNLITSA-N 0 0 532.641 4.490 1 0 KIAFRN CCOc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1 ZINC000000931360 561675615 /nfs/dbraw/zinc/67/56/15/561675615.db2.gz GKUFBJUIIIBAHY-NSOVKSMOSA-N 0 0 532.641 4.490 1 0 KIAFRN CCOc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)[C@@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)cc1 ZINC000000931361 561675617 /nfs/dbraw/zinc/67/56/17/561675617.db2.gz GKUFBJUIIIBAHY-WUFINQPMSA-N 0 0 532.641 4.490 1 0 KIAFRN CN(C)c1cccc(NC(=O)N[C@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000001484617 561675795 /nfs/dbraw/zinc/67/57/95/561675795.db2.gz INMWFCCMIFVEPO-AREMUKBSSA-N 0 0 512.614 4.095 1 0 KIAFRN C[C@@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486490 561675993 /nfs/dbraw/zinc/67/59/93/561675993.db2.gz IMXVLFNBHPYIAX-MCMMXHMISA-N 0 0 540.880 4.121 1 0 KIAFRN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000001486493 561675937 /nfs/dbraw/zinc/67/59/37/561675937.db2.gz PZRFKNYLWLXWJA-QKFKETGDSA-N 0 0 503.962 4.348 1 0 KIAFRN COc1cc2nc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000001487907 561676023 /nfs/dbraw/zinc/67/60/23/561676023.db2.gz WUJVRGUFPADWHY-UHFFFAOYSA-N 0 0 547.571 4.060 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2F)=N[C@@H](NC(=O)c2ccc(I)cc2)C1=O ZINC000001493168 561676386 /nfs/dbraw/zinc/67/63/86/561676386.db2.gz KWYHFHAIKHYSHF-NRFANRHFSA-N 0 0 513.310 4.000 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(I)c2)C1=O ZINC000001493169 561676413 /nfs/dbraw/zinc/67/64/13/561676413.db2.gz VLKJKVMACAESPP-OAQYLSRUSA-N 0 0 510.335 4.253 1 0 KIAFRN CCOc1nc2cccc(C(=O)O[C@H](C)OC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001493423 561676387 /nfs/dbraw/zinc/67/63/87/561676387.db2.gz MHYCZSLRSHMIJZ-GOSISDBHSA-N 0 0 526.553 4.396 1 0 KIAFRN O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc(Cl)cc1 ZINC000001493969 561676567 /nfs/dbraw/zinc/67/65/67/561676567.db2.gz XLVWDHAXEFKTIB-UHFFFAOYSA-N 0 0 516.048 4.102 1 0 KIAFRN CCOC(=O)CC(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 ZINC000001494503 561676496 /nfs/dbraw/zinc/67/64/96/561676496.db2.gz JGPPXWAJXIXNLH-UHFFFAOYSA-N 0 0 500.935 4.298 1 0 KIAFRN CCCSC1=NS(=O)(=O)c2cc(C)cnc2N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001540845 561677063 /nfs/dbraw/zinc/67/70/63/561677063.db2.gz QCGISAPMDTWMKG-UHFFFAOYSA-N 0 0 505.629 4.445 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000001545736 561677295 /nfs/dbraw/zinc/67/72/95/561677295.db2.gz JRSRZYFBWXHHNX-GSDHBNRESA-N 0 0 559.667 4.105 1 0 KIAFRN Cc1cn([C@@H]2C=C[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OCc3cccc4ccccc43)Oc3ccccc3)O2)c(=O)[nH]c1=O ZINC000001546588 561677268 /nfs/dbraw/zinc/67/72/68/561677268.db2.gz WJYVAUGSXQSMCW-CIHKZZEZSA-N 0 0 591.557 4.377 1 0 KIAFRN C[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc2ccccc21)C(=O)Nc1cccnc1 ZINC000001549274 561677440 /nfs/dbraw/zinc/67/74/40/561677440.db2.gz ITBFOZWYADNNQO-BVZFJXPGSA-N 0 0 500.986 4.373 1 0 KIAFRN CCCCc1nn(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001552278 561677494 /nfs/dbraw/zinc/67/74/94/561677494.db2.gz NVLJXTCTDPLEBQ-UHFFFAOYSA-N 0 0 523.597 4.118 1 0 KIAFRN O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1 ZINC000001552959 561677561 /nfs/dbraw/zinc/67/75/61/561677561.db2.gz RULBFQDDCRBSBY-UHFFFAOYSA-N 0 0 591.875 4.254 1 0 KIAFRN COc1cc(C(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC ZINC000001582796 561677709 /nfs/dbraw/zinc/67/77/09/561677709.db2.gz YWIKVBNQUVBQEN-FQEVSTJZSA-N 0 0 551.592 4.191 1 0 KIAFRN O=S(=O)(c1ccccc1)[C@H]1CN2O[C@@]1(S(=O)(=O)c1ccccc1)C[C@@H]2c1ccc(Br)cc1 ZINC000001617497 561677681 /nfs/dbraw/zinc/67/76/81/561677681.db2.gz MKFFHYSGFQRGCG-XPWALMASSA-N 0 0 534.453 4.154 1 0 KIAFRN CCOC(=O)[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@]12c1ccccc1N[C@H]2c1ccc(OC)c(OC)c1 ZINC000001619694 561677790 /nfs/dbraw/zinc/67/77/90/561677790.db2.gz OJWKRUIGQHVMGJ-HPUNYJORSA-N 0 0 536.650 4.443 1 0 KIAFRN CCOC(=O)[C@@H]1N(S(=O)(=O)c2ccc(C)cc2)CC[C@@]12c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000001619697 561677840 /nfs/dbraw/zinc/67/78/40/561677840.db2.gz GSHDLPCUYRQXTP-HZFRXHCASA-N 0 0 578.687 4.384 1 0 KIAFRN CCN1c2ccccc2[C@H]([C@H](SC)S(=O)(=O)c2ccc(C)cc2)[C@@]2(Cl)C(=O)N(C)C(=O)N=C12 ZINC000001628612 561677929 /nfs/dbraw/zinc/67/79/29/561677929.db2.gz WEWIUIRZQURFFB-PWHSHALESA-N 0 0 506.049 4.050 1 0 KIAFRN Cc1ccc(S(=O)(=O)n2c3ccccc3c3c2[C@@H]2CC=C(S(=O)(=O)c4ccccc4)C(=O)N2CC3)cc1 ZINC000001641866 561678120 /nfs/dbraw/zinc/67/81/20/561678120.db2.gz UYWQHCWSXJQJNB-VWLOTQADSA-N 0 0 532.643 4.374 1 0 KIAFRN CCN(CC)c1c(OC(C)=O)c2sccn2c(=O)c1-c1c(=O)n2ccsc2c(OC(C)=O)c1N(CC)CC ZINC000001650076 561678498 /nfs/dbraw/zinc/67/84/98/561678498.db2.gz XNFAPSPFHHQRSP-UHFFFAOYSA-N 0 0 558.682 4.245 1 0 KIAFRN Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)OCCCCCO2)c(C)c1 ZINC000001656747 561678853 /nfs/dbraw/zinc/67/88/53/561678853.db2.gz YGOQJMDSXPOELG-UHFFFAOYSA-N 0 0 524.705 4.266 1 0 KIAFRN Cc1c2c(nn1C)-c1c(C)cc(C)nc1S(=O)(=O)N2CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001659246 561678969 /nfs/dbraw/zinc/67/89/69/561678969.db2.gz RAGFHWVKKAJBLT-UHFFFAOYSA-N 0 0 548.635 4.147 1 0 KIAFRN Cc1cc(C)n(C(=O)CSc2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)n1 ZINC000001660374 561679068 /nfs/dbraw/zinc/67/90/68/561679068.db2.gz BQSBTOIYXWZKRI-UHFFFAOYSA-N 0 0 530.391 4.295 1 0 KIAFRN CCCc1nnc2sc(COc3ccc(OCc4nn5c(CCC)nnc5s4)c(Cl)c3)nn12 ZINC000001660956 561679189 /nfs/dbraw/zinc/67/91/89/561679189.db2.gz VAGCDPOVHUZQAA-UHFFFAOYSA-N 0 0 505.029 4.401 1 0 KIAFRN NS(=O)(=O)c1ccc(CNc2nc(-c3cccs3)nc3ccc(I)cc32)cc1 ZINC000001663601 561679314 /nfs/dbraw/zinc/67/93/14/561679314.db2.gz XMFXMTUGJUCEQS-UHFFFAOYSA-N 0 0 522.393 4.222 1 0 KIAFRN Nn1c(CNc2ccc(-c3nnc(Nc4ccc(Cl)cc4)n3N)cc2)nnc1Nc1ccc(Cl)cc1 ZINC000001859703 561679748 /nfs/dbraw/zinc/67/97/48/561679748.db2.gz OQLFYWGEGXKAAL-UHFFFAOYSA-N 0 0 522.404 4.370 1 0 KIAFRN COc1cc(/C=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861070 561679772 /nfs/dbraw/zinc/67/97/72/561679772.db2.gz MORFLPYMTHRFCA-HTCWZNLXSA-N 0 0 522.579 4.172 1 0 KIAFRN COc1cc(/C=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861074 561679752 /nfs/dbraw/zinc/67/97/52/561679752.db2.gz MORFLPYMTHRFCA-WWFXOLRUSA-N 0 0 522.579 4.172 1 0 KIAFRN COc1cc(/C=C2\C(=O)N(c3cccc(NC(C)=O)c3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861078 561679774 /nfs/dbraw/zinc/67/97/74/561679774.db2.gz DGJMTABFUBICPV-JYXZFHPPSA-N 0 0 522.579 4.172 1 0 KIAFRN COc1cc(/C=C2\C(=O)N(c3cccc(NC(C)=O)c3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861080 561679894 /nfs/dbraw/zinc/67/98/94/561679894.db2.gz DGJMTABFUBICPV-LMVGNEGFSA-N 0 0 522.579 4.172 1 0 KIAFRN Brc1cccc(C2(CCCC3(c4cccc(Br)n4)OCCO3)OCCO2)n1 ZINC000001862150 561679868 /nfs/dbraw/zinc/67/98/68/561679868.db2.gz QHDMMNGCYNWFOV-UHFFFAOYSA-N 0 0 500.187 4.271 1 0 KIAFRN CCCCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001890621 561679935 /nfs/dbraw/zinc/67/99/35/561679935.db2.gz FGOGRDOYWVWRMT-UHFFFAOYSA-N 0 0 525.657 4.345 1 0 KIAFRN Cc1nc2c(nc(Oc3cc(C(N)=[NH2+])ccc3[O-])nc2Oc2cccc(C(=O)N(C)C)c2)n1Cc1ccccc1 ZINC000001903301 561680116 /nfs/dbraw/zinc/68/01/16/561680116.db2.gz XWONPVXAQKMKDM-UHFFFAOYSA-N 0 0 537.580 4.459 1 0 KIAFRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4cc(C)ccc4C)C(=O)[C@H]3C1(C)[C@@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@@H]12 ZINC000002066090 551745253 /nfs/dbraw/zinc/74/52/53/551745253.db2.gz BVGAOXJWEVFJMA-HEDFVLSQSA-N 0 0 554.643 4.361 1 0 KIAFRN COc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C)c(F)c3)c2)CC1 ZINC000003025103 561681484 /nfs/dbraw/zinc/68/14/84/561681484.db2.gz STKSYPXNYLDTCY-UHFFFAOYSA-N 0 0 501.555 4.045 1 0 aggregator KIAFRN COc1cc(C(=O)N[C@@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1OC ZINC000003590915 561682071 /nfs/dbraw/zinc/68/20/71/561682071.db2.gz YWIKVBNQUVBQEN-HXUWFJFHSA-N 0 0 551.592 4.191 1 0 KIAFRN Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2ncsc2c1 ZINC000003626580 561682060 /nfs/dbraw/zinc/68/20/60/561682060.db2.gz WOMVHMROIRAEMO-AHKZPQOWSA-N 0 0 567.733 4.359 1 0 KIAFRN CCn1cc(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5cn(CC)c(=N)nc5N)cc4)cc3)cc2)c(N)nc1=N ZINC000003631517 561682067 /nfs/dbraw/zinc/68/20/67/561682067.db2.gz OCMBMAHXTGIZTC-UHFFFAOYSA-N 0 0 588.676 4.081 1 0 KIAFRN CCCCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003653035 561682228 /nfs/dbraw/zinc/68/22/28/561682228.db2.gz VDFOBEUYPXRSDL-UHFFFAOYSA-N 0 0 538.656 4.304 1 0 KIAFRN CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c21 ZINC000003654956 561682277 /nfs/dbraw/zinc/68/22/77/561682277.db2.gz ZUHGEPQFEQZNCJ-UHFFFAOYSA-N 0 0 547.393 4.049 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2F)=N[C@H](NC(=O)c2ccc(I)cc2)C1=O ZINC000003794190 561682352 /nfs/dbraw/zinc/68/23/52/561682352.db2.gz KWYHFHAIKHYSHF-OAQYLSRUSA-N 0 0 513.310 4.000 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(I)c2)C1=O ZINC000003794192 561682508 /nfs/dbraw/zinc/68/25/08/561682508.db2.gz VLKJKVMACAESPP-NRFANRHFSA-N 0 0 510.335 4.253 1 0 in-vitro KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C)cc1 ZINC000003803645 561682647 /nfs/dbraw/zinc/68/26/47/561682647.db2.gz GULYNNUGESRUAF-WUFINQPMSA-N 0 0 524.683 4.053 1 0 KIAFRN CN(C)c1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000003810903 561682701 /nfs/dbraw/zinc/68/27/01/561682701.db2.gz INMWFCCMIFVEPO-SANMLTNESA-N 0 0 512.614 4.095 1 0 KIAFRN Cc1cc(COc2ccc(S(=O)(=O)C[C@@H](CC3CCC(=O)CC3)N(O)C=O)cc2)c2ccccc2n1 ZINC000003818181 561683124 /nfs/dbraw/zinc/68/31/24/561683124.db2.gz YFYQFPIGOKJLFD-JOCHJYFZSA-N 0 0 510.612 4.262 1 0 KIAFRN CC(C)CC(=O)N1C[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N1Cc1ccc(O)cc1 ZINC000003825491 561683340 /nfs/dbraw/zinc/68/33/40/561683340.db2.gz HWMMFQYMFJOXJG-VSGBNLITSA-N 0 0 517.626 4.298 1 0 KIAFRN CC(C)CC(=O)N1C[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(N)c2)C(=O)N1Cc1cccc(N)c1 ZINC000003825492 561683272 /nfs/dbraw/zinc/68/32/72/561683272.db2.gz GPSCQTLVJDGGKL-VSGBNLITSA-N 0 0 515.658 4.051 1 0 KIAFRN CN(C)c1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N3CC2 ZINC000003827880 561683421 /nfs/dbraw/zinc/68/34/21/561683421.db2.gz VWTOPXBUNQDCKW-DEOSSOPVSA-N 0 0 508.409 4.138 1 0 KIAFRN CC1CCN(C(=O)[C@@H](Cc2cc3c(ccnc3N)s2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000003832099 561683539 /nfs/dbraw/zinc/68/35/39/561683539.db2.gz SEFSJIDRHBCMDE-HSZRJFAPSA-N 0 0 508.669 4.180 1 0 KIAFRN COc1ccc2ccc(S(=O)(=O)N[C@@H](Cc3cc4c(ccnc4N)s3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000003832100 561683549 /nfs/dbraw/zinc/68/35/49/561683549.db2.gz YHZXQULQLNKEPU-DEOSSOPVSA-N 0 0 538.695 4.188 1 0 KIAFRN C[C@H](C(=O)N1CCSCC1)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccncc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840916 561683841 /nfs/dbraw/zinc/68/38/41/561683841.db2.gz HEAOBCKUFAXIQG-LDDDOBROSA-N 0 0 514.717 4.055 1 0 KIAFRN C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccncc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840918 561683883 /nfs/dbraw/zinc/68/38/83/561683883.db2.gz HEAOBCKUFAXIQG-KQUSGIHOSA-N 0 0 514.717 4.055 1 0 KIAFRN COc1ncc(Cc2cn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000003842201 561683843 /nfs/dbraw/zinc/68/38/43/561683843.db2.gz ARJRPMVJHBDHSR-UHFFFAOYSA-N 0 0 595.100 4.066 1 0 KIAFRN COC(=O)N[C@@H](C)C(=O)N1CCN(n2c(=O)c3ccc(F)cc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000003842299 561683809 /nfs/dbraw/zinc/68/38/09/561683809.db2.gz WXOAEXZSPOGBFY-SFTDATJTSA-N 0 0 693.708 4.016 1 0 KIAFRN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NCc3nccs3)c2=O)c1F ZINC000003842302 561683879 /nfs/dbraw/zinc/68/38/79/561683879.db2.gz SHSXQSNMXRKMPX-OAHLLOKOSA-N 0 0 530.572 4.094 1 0 KIAFRN CCCCc1nc2ccc([C@H]3C[C@H](CO)ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003843029 561684246 /nfs/dbraw/zinc/68/42/46/561684246.db2.gz GXGPQZSLPQKAHA-QDPGVEIFSA-N 0 0 551.651 4.304 1 0 KIAFRN COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC ZINC000003914862 561684505 /nfs/dbraw/zinc/68/45/05/561684505.db2.gz YYOKEEFYTIKJOO-NRFANRHFSA-N 0 0 643.089 4.215 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000003915219 561684693 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PSEVGCFRIKWCEI-HXUWFJFHSA-N 0 0 537.676 4.453 1 0 KIAFRN O=C(Cc1cccc(Br)c1)NC1CCN(Cc2cccc(I)c2)CC1 ZINC000013470652 561713745 /nfs/dbraw/zinc/71/37/45/561713745.db2.gz CKJQRPBJJKQHHF-UHFFFAOYSA-N 0 0 513.217 4.377 1 0 KIAFRN O=C(Cc1cccc(Br)c1)NC1CCN(Cc2ccc(I)cc2)CC1 ZINC000013470654 561713838 /nfs/dbraw/zinc/71/38/38/561713838.db2.gz PVBNCRWJZWAPOQ-UHFFFAOYSA-N 0 0 513.217 4.377 1 0 KIAFRN COc1cc(COc2cc(Cc3cnc(N)nc3N)ccc2OCc2ccccc2)cc(OC)c1OC ZINC000013472738 561714202 /nfs/dbraw/zinc/71/42/02/561714202.db2.gz BZOMCHHVNZCETR-UHFFFAOYSA-N 0 0 502.571 4.416 1 0 KIAFRN COCCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)c2cc1OCCOC ZINC000013475637 561714628 /nfs/dbraw/zinc/71/46/28/561714628.db2.gz VUPVZTSBVJMKOY-UHFFFAOYSA-N 0 0 537.661 4.332 1 0 KIAFRN CN1c2ccccc2C(c2ccc(C(N)=O)cc2)=N[C@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)C1=O ZINC000013487026 561715162 /nfs/dbraw/zinc/71/51/62/561715162.db2.gz FTZQBEFFPHQXOP-BVYAJCBJSA-N 0 0 507.377 4.062 1 0 KIAFRN CN1c2ccccc2C(c2ccc(C(N)=O)cc2)=N[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)C1=O ZINC000013487027 561715168 /nfs/dbraw/zinc/71/51/68/561715168.db2.gz FTZQBEFFPHQXOP-CVJKAFSHSA-N 0 0 507.377 4.062 1 0 KIAFRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1N=C(c2ccc(C(N)=O)cc2)c2ccccc2N(C)C1=O ZINC000013487028 561715142 /nfs/dbraw/zinc/71/51/42/561715142.db2.gz JYBIFZLQFALTRP-MQNRADLISA-N 0 0 523.420 4.227 1 0 KIAFRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1N=C(c2ccc(C(N)=O)cc2)c2ccccc2N(C)C1=O ZINC000013487029 561715166 /nfs/dbraw/zinc/71/51/66/561715166.db2.gz JYBIFZLQFALTRP-BZQUYTCOSA-N 0 0 523.420 4.227 1 0 KIAFRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1N=C(c2ccc(C(N)=O)cc2)c2ccccc2N(C)C1=O ZINC000013487030 561715136 /nfs/dbraw/zinc/71/51/36/561715136.db2.gz JYBIFZLQFALTRP-ODCWNRFASA-N 0 0 523.420 4.227 1 0 KIAFRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1N=C(c2ccc(C(N)=O)cc2)c2ccccc2N(C)C1=O ZINC000013487031 561715169 /nfs/dbraw/zinc/71/51/69/561715169.db2.gz JYBIFZLQFALTRP-SGANQWHYSA-N 0 0 523.420 4.227 1 0 KIAFRN CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)CCC[N@@H+]1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013488007 561715496 /nfs/dbraw/zinc/71/54/96/561715496.db2.gz DJAYOTFCMKFULR-UNMCSNQZSA-N 0 0 503.665 4.334 1 0 KIAFRN CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)Cc1ccccc1 ZINC000013488669 561715642 /nfs/dbraw/zinc/71/56/42/561715642.db2.gz NQSCOFZZUOYTNT-FEVNIDIWSA-N 0 0 506.687 4.388 1 0 KIAFRN O=C(Nc1ccccc1)N1CCN(c2ccc(N(Cc3c[nH]cn3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000013489395 561715747 /nfs/dbraw/zinc/71/57/47/561715747.db2.gz BVLVSFCWZSCAEB-UHFFFAOYSA-N 0 0 516.627 4.159 1 0 KIAFRN CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000013489674 561715930 /nfs/dbraw/zinc/71/59/30/561715930.db2.gz RRXSUVGMGXNSHH-RPWUZVMVSA-N 0 0 522.719 4.082 1 0 KIAFRN COc1ccc2ccccc2c1C1=NO[C@@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1 ZINC000013489924 561715976 /nfs/dbraw/zinc/71/59/76/561715976.db2.gz CZLFBSUBRPKVBR-XMMPIXPASA-N 0 0 501.564 4.295 1 0 KIAFRN COc1ccc2ccccc2c1C1=NO[C@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1 ZINC000013489925 561716007 /nfs/dbraw/zinc/71/60/07/561716007.db2.gz CZLFBSUBRPKVBR-DEOSSOPVSA-N 0 0 501.564 4.295 1 0 KIAFRN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N[C@@H](CCCCO)C(=O)c1nccs1 ZINC000013491430 561716230 /nfs/dbraw/zinc/71/62/30/561716230.db2.gz RIWDXZRTHJMZRM-DQEYMECFSA-N 0 0 519.667 4.186 1 0 KIAFRN COc1ccc(-n2nc(C(=O)NCc3ccccc3)cc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000013491653 561716244 /nfs/dbraw/zinc/71/62/44/561716244.db2.gz MIHRRKGTTWUDIL-UHFFFAOYSA-N 0 0 523.593 4.299 1 0 KIAFRN COc1ccc(-n2nc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cc2C(=O)NCc2ccccc2)cc1 ZINC000013491654 561716241 /nfs/dbraw/zinc/71/62/41/561716241.db2.gz YLTLUNZHEWGEFO-UHFFFAOYSA-N 0 0 523.593 4.299 1 0 KIAFRN CC(C)[C@H](NC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc2ccccc21)C(N)=O ZINC000013493160 561716648 /nfs/dbraw/zinc/71/66/48/561716648.db2.gz IWCZAHGFRZDNKX-MHZLTWQESA-N 0 0 515.635 4.225 1 0 KIAFRN CCCCc1nc(I)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013493325 561716636 /nfs/dbraw/zinc/71/66/36/561716636.db2.gz WVJNPHMLHDHCKJ-UHFFFAOYSA-N 0 0 514.371 4.218 1 0 KIAFRN COC(=O)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@@H]1c1ccco1 ZINC000013493838 561716646 /nfs/dbraw/zinc/71/66/46/561716646.db2.gz HSVVVXHRAQHIAQ-VUAYVDPTSA-N 0 0 530.621 4.163 1 0 KIAFRN COC(=O)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@@H]1c1ccco1 ZINC000013493840 561716634 /nfs/dbraw/zinc/71/66/34/561716634.db2.gz HSVVVXHRAQHIAQ-KSWBWTIQSA-N 0 0 530.621 4.163 1 0 KIAFRN CCOC(=O)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000013493850 561716626 /nfs/dbraw/zinc/71/66/26/561716626.db2.gz PJNULAUZYMWIKY-XWJWOQKWSA-N 0 0 520.626 4.421 1 0 KIAFRN CCOC(=O)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2[C@@H]1c1ccco1 ZINC000013493852 561716632 /nfs/dbraw/zinc/71/66/32/561716632.db2.gz PJNULAUZYMWIKY-PZZFJYTRSA-N 0 0 520.626 4.421 1 0 KIAFRN CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)CC1 ZINC000013493858 561716669 /nfs/dbraw/zinc/71/66/69/561716669.db2.gz PKOVYIKOIGUQLU-HHHXNRCGSA-N 0 0 530.669 4.008 1 0 KIAFRN Cc1[nH]c(=O)c2c3c(ccc2c1CC(=O)N1CCOCC1)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494041 561716759 /nfs/dbraw/zinc/71/67/59/561716759.db2.gz YMBLFHJARYURQV-UHFFFAOYSA-N 0 0 500.386 4.175 1 0 KIAFRN O=C(Cn1c(=O)c(NCCc2ccccc2)nc(Cl)c1-c1ccccc1)NCc1nc2ccccc2[nH]1 ZINC000013526923 561717320 /nfs/dbraw/zinc/71/73/20/561717320.db2.gz OZGPDYUJEDJDAL-UHFFFAOYSA-N 0 0 513.001 4.411 1 0 KIAFRN CCn1c2cc3ncnc(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)c3cc2n(C)c1=O ZINC000013528797 561717528 /nfs/dbraw/zinc/71/75/28/561717528.db2.gz VJWMREWBGWVZIY-UHFFFAOYSA-N 0 0 523.597 4.450 1 0 KIAFRN CCn1c2cc3ncnc(N4CCN(C(=O)Nc5ccc(Oc6ccccc6)cc5)CC4)c3cc2[nH]c1=O ZINC000013528803 561717523 /nfs/dbraw/zinc/71/75/23/561717523.db2.gz ZTPUTDMDORDJGQ-UHFFFAOYSA-N 0 0 509.570 4.439 1 0 KIAFRN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1 ZINC000013529944 561717646 /nfs/dbraw/zinc/71/76/46/561717646.db2.gz IKKTVWCKRXZHRN-UHFFFAOYSA-N 0 0 516.501 4.466 1 0 KIAFRN O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1 ZINC000013537582 561717996 /nfs/dbraw/zinc/71/79/96/561717996.db2.gz QVVDNCZGGYXLLJ-UIOOFZCWSA-N 0 0 517.582 4.366 1 0 KIAFRN Nc1ncnc2nc(-c3ccc(N4CCC5(COCO5)CC4)nc3)cc(-c3cccc(Br)c3)c12 ZINC000013538447 561717985 /nfs/dbraw/zinc/71/79/85/561717985.db2.gz FLRSHKTUSYIIPX-UHFFFAOYSA-N 0 0 519.403 4.442 1 0 KIAFRN CCOC1CCN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)nn2)CC1 ZINC000013538453 561717978 /nfs/dbraw/zinc/71/79/78/561717978.db2.gz PEQMJYWMTZTCRI-UHFFFAOYSA-N 0 0 506.408 4.499 1 0 KIAFRN CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000013555345 561718536 /nfs/dbraw/zinc/71/85/36/561718536.db2.gz MJDINJZUFSVWFM-RZJIVJKBSA-N 0 0 515.445 4.137 1 0 KIAFRN O=C(Nc1cccnc1)c1c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c2n2c1CCCC2 ZINC000013559648 561719576 /nfs/dbraw/zinc/71/95/76/561719576.db2.gz YEHNDLQWKSUNTD-UHFFFAOYSA-N 0 0 517.584 4.058 1 0 KIAFRN O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1 ZINC000013560138 561719705 /nfs/dbraw/zinc/71/97/05/561719705.db2.gz MQBZNVUMTSNRTI-UHFFFAOYSA-N 0 0 513.274 4.043 1 0 KIAFRN CCC(CC)(c1ccccc1)[C@H]([NH2+]C)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C ZINC000013582994 561720207 /nfs/dbraw/zinc/72/02/07/561720207.db2.gz WQXAABJDHRYSRN-BHQPJMTKSA-N 0 0 501.712 4.377 1 0 KIAFRN C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH+]1CCCC1)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000013583019 561720178 /nfs/dbraw/zinc/72/01/78/561720178.db2.gz JUQMWUQTEVPHFW-GMUJNDQRSA-N 0 0 513.723 4.473 1 0 KIAFRN CCCC[C@H](NC(=O)OCC1(CSc2nccn2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013583848 561720315 /nfs/dbraw/zinc/72/03/15/561720315.db2.gz UNYPYMCGZVQRHF-CTNGQTDRSA-N 0 0 500.665 4.414 1 0 KIAFRN CCCC[C@H](NC(=O)OCC1(COc2ccnc(Cl)n2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013583876 561720335 /nfs/dbraw/zinc/72/03/35/561720335.db2.gz XYVHJUXIUAARMN-QUCCMNQESA-N 0 0 517.026 4.411 1 0 KIAFRN C[C@@H](O)CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000013585898 561720381 /nfs/dbraw/zinc/72/03/81/561720381.db2.gz OSOOBXSEVZTJDK-GSVOUGTGSA-N 0 0 506.818 4.406 1 0 KIAFRN C[C@H](O)CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000013585900 561720396 /nfs/dbraw/zinc/72/03/96/561720396.db2.gz OSOOBXSEVZTJDK-VKHMYHEASA-N 0 0 506.818 4.406 1 0 KIAFRN COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000013586735 561720511 /nfs/dbraw/zinc/72/05/11/561720511.db2.gz SCTGDGGFKAZYPK-MHZLTWQESA-N 0 0 520.699 4.333 1 0 KIAFRN C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)CCC3=O)c2ccccc2N(C)C1=O ZINC000013587624 561720769 /nfs/dbraw/zinc/72/07/69/561720769.db2.gz IOFFAAZPTYLRCR-RKOGDMNLSA-N 0 0 501.533 4.229 1 0 KIAFRN C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(=O)ccoc3c2)c2ccccc2N(C)C1=O ZINC000013587626 561720743 /nfs/dbraw/zinc/72/07/43/561720743.db2.gz AHSBZPJSUYPXJE-RKOGDMNLSA-N 0 0 515.516 4.206 1 0 KIAFRN Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(c2ccccc2)C(C)C)cc1 ZINC000013587701 561720897 /nfs/dbraw/zinc/72/08/97/561720897.db2.gz DKTCANLBUFELFO-SANMLTNESA-N 0 0 517.736 4.204 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2F)=N[C@H](NC(=O)c2cccc(I)c2)C1=O ZINC000013601672 561721603 /nfs/dbraw/zinc/72/16/03/561721603.db2.gz SEIABTQHADRMGY-OAQYLSRUSA-N 0 0 513.310 4.000 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2F)=N[C@H](NC(=O)c2ccccc2I)C1=O ZINC000013601680 561721595 /nfs/dbraw/zinc/72/15/95/561721595.db2.gz NFWIPCKQRRCBGC-OAQYLSRUSA-N 0 0 513.310 4.000 1 0 KIAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12 ZINC000013611511 561721983 /nfs/dbraw/zinc/72/19/83/561721983.db2.gz XFHPQLVMJVEBAR-UHFFFAOYSA-N 0 0 502.428 4.242 1 0 KIAFRN Nc1nc(NC[C@H]2CCCN2Cc2c(F)c(Cl)ccc2C(F)(F)F)nc2nc(-c3ccco3)nn21 ZINC000013612511 561721968 /nfs/dbraw/zinc/72/19/68/561721968.db2.gz SSQZOVQSQZHOQS-LLVKDONJSA-N 0 0 510.883 4.249 1 0 KIAFRN COc1ccc(C(=O)NC[C@@H]2CC(c3cc[n+]([O-])cc3)=NO2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643432 561722297 /nfs/dbraw/zinc/72/22/97/561722297.db2.gz SWXCFUKUNYIBGW-FQEVSTJZSA-N 0 0 516.381 4.180 1 0 KIAFRN COc1ccc(C(=O)NC[C@H]2CC(c3cc[n+]([O-])cc3)=NO2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643435 561722303 /nfs/dbraw/zinc/72/23/03/561722303.db2.gz SWXCFUKUNYIBGW-HXUWFJFHSA-N 0 0 516.381 4.180 1 0 KIAFRN COc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643478 561722464 /nfs/dbraw/zinc/72/24/64/561722464.db2.gz IHTKSQOVIZSQLM-UHFFFAOYSA-N 0 0 520.457 4.004 1 0 KIAFRN CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(CC(F)(F)F)o4)c(C(C)C)c23)c(F)cc1F ZINC000013645335 561722581 /nfs/dbraw/zinc/72/25/81/561722581.db2.gz KNCMFVBGBJGBGI-UHFFFAOYSA-N 0 0 511.411 4.321 1 0 KIAFRN COc1cc(OC)cc(-c2cc3cnc(N(CCCCO)C(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000013647869 561722718 /nfs/dbraw/zinc/72/27/18/561722718.db2.gz VZIIYVWVYAICDU-UHFFFAOYSA-N 0 0 509.607 4.359 1 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CC(=O)N(CCc1ccccc1)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000013746542 561726706 /nfs/dbraw/zinc/72/67/06/561726706.db2.gz NRAXLCFQSOWEAL-LJAQVGFWSA-N 0 0 537.708 4.109 1 0 KIAFRN CC(=O)N(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000013746559 561726717 /nfs/dbraw/zinc/72/67/17/561726717.db2.gz JQGRWTHEXNQLOJ-AREMUKBSSA-N 0 0 509.654 4.071 1 0 KIAFRN CC(=O)N(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000013746561 561726714 /nfs/dbraw/zinc/72/67/14/561726714.db2.gz JQGRWTHEXNQLOJ-SANMLTNESA-N 0 0 509.654 4.071 1 0 KIAFRN COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)N(CC(C)C)CC(C)C)cc1 ZINC000013746950 561726853 /nfs/dbraw/zinc/72/68/53/561726853.db2.gz VTCRAOPUDXFWQI-MXSCXNJPSA-N 0 0 510.631 4.406 1 0 KIAFRN COc1ccc(Br)c([O-])c1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013747193 561727052 /nfs/dbraw/zinc/72/70/52/561727052.db2.gz INSDLPNRRROKEU-UHFFFAOYSA-N 0 0 519.465 4.105 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000013755602 561727095 /nfs/dbraw/zinc/72/70/95/561727095.db2.gz VVHBILFZMWHTKX-HVNZXBJASA-N 0 0 531.653 4.262 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000013755603 561727126 /nfs/dbraw/zinc/72/71/26/561727126.db2.gz VVHBILFZMWHTKX-SUYBVONHSA-N 0 0 531.653 4.262 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(Cc1ccccc1)C(=O)NCCCCCCCO ZINC000013755606 561727144 /nfs/dbraw/zinc/72/71/44/561727144.db2.gz XFGBWRHTRJIBMS-HVNZXBJASA-N 0 0 539.717 4.299 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCO ZINC000013755607 561727108 /nfs/dbraw/zinc/72/71/08/561727108.db2.gz XFGBWRHTRJIBMS-SUYBVONHSA-N 0 0 539.717 4.299 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCO ZINC000013755608 561727142 /nfs/dbraw/zinc/72/71/42/561727142.db2.gz XMBAFFJJGBPLRT-SVBPBHIXSA-N 0 0 539.717 4.299 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCO ZINC000013755609 561727115 /nfs/dbraw/zinc/72/71/15/561727115.db2.gz XMBAFFJJGBPLRT-SXOMAYOGSA-N 0 0 539.717 4.299 1 0 KIAFRN CCC(C)(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758744 561727403 /nfs/dbraw/zinc/72/74/03/561727403.db2.gz RVKNVPBLJVAPAG-UHFFFAOYSA-N 0 0 512.680 4.276 1 0 KIAFRN CCCN(c1ncccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758757 561727364 /nfs/dbraw/zinc/72/73/64/561727364.db2.gz DZKQDDOGORSZDZ-UHFFFAOYSA-N 0 0 512.680 4.276 1 0 KIAFRN CC(C)Nc1cccnc1N(C1CC1)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758761 561727423 /nfs/dbraw/zinc/72/74/23/561727423.db2.gz CDJLYAGDTVMTRL-UHFFFAOYSA-N 0 0 510.664 4.028 1 0 KIAFRN CCNc1cccnc1N(CC)C1CCN(C(=O)c2cc3cc(NS(=O)(=O)C(C)C)ccc3[nH]2)CC1 ZINC000013758774 561727438 /nfs/dbraw/zinc/72/74/38/561727438.db2.gz BIQFVVHHRNCUJC-UHFFFAOYSA-N 0 0 512.680 4.276 1 0 KIAFRN CC(C)Nc1ccc(Cl)nc1N(C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758791 561727406 /nfs/dbraw/zinc/72/74/06/561727406.db2.gz CKPSYBQZPWXRMN-UHFFFAOYSA-N 0 0 519.071 4.149 1 0 KIAFRN CN(c1nc(F)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758794 561727360 /nfs/dbraw/zinc/72/73/60/561727360.db2.gz BIMYIIMAPXZIQL-UHFFFAOYSA-N 0 0 516.643 4.025 1 0 KIAFRN CCN(c1nc(F)ccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758796 561727353 /nfs/dbraw/zinc/72/73/53/561727353.db2.gz JPPXHAWRFGQVOL-UHFFFAOYSA-N 0 0 516.643 4.025 1 0 KIAFRN CCN(c1nc(F)ccc1NC(C)(C)C)C1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 ZINC000013758798 561727435 /nfs/dbraw/zinc/72/74/35/561727435.db2.gz XNOMYGHOMCIMHK-UHFFFAOYSA-N 0 0 530.670 4.415 1 0 KIAFRN CC(C)(C)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(NC=O)c2)C1=O ZINC000013760934 561727646 /nfs/dbraw/zinc/72/76/46/561727646.db2.gz XBDKUDLNLTTYKW-AREMUKBSSA-N 0 0 511.582 4.202 1 0 KIAFRN CC(C)(C)C(=O)CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(NC=O)c2)C1=O ZINC000013760935 561727668 /nfs/dbraw/zinc/72/76/68/561727668.db2.gz XBDKUDLNLTTYKW-SANMLTNESA-N 0 0 511.582 4.202 1 0 KIAFRN COc1c(C(=O)NCCN2CCN(c3ccc(F)cc3F)CC2)cc(Br)c2ccccc21 ZINC000013761268 561727819 /nfs/dbraw/zinc/72/78/19/561727819.db2.gz CYWMNGWSZLCDHE-UHFFFAOYSA-N 0 0 504.375 4.441 1 0 KIAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1C ZINC000013761549 561727796 /nfs/dbraw/zinc/72/77/96/561727796.db2.gz UTGRGVUJLJJKSH-GDLZYMKVSA-N 0 0 520.534 4.157 1 0 KIAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1C ZINC000013761550 561727816 /nfs/dbraw/zinc/72/78/16/561727816.db2.gz UTGRGVUJLJJKSH-LJAQVGFWSA-N 0 0 520.534 4.157 1 0 KIAFRN CC(=O)N1CCN(c2nc(CO[C@@H]3c4cc(C(C)(C)C)ccc4S[C@@H]3Cn3ccnc3)ns2)CC1 ZINC000013775752 561728393 /nfs/dbraw/zinc/72/83/93/561728393.db2.gz SYHWTELBPLMWPQ-FYYLOGMGSA-N 0 0 512.705 4.133 1 0 KIAFRN COC[C@@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013776505 561728546 /nfs/dbraw/zinc/72/85/46/561728546.db2.gz ZGATUVIZAFWRTP-ZFGQXSPLSA-N 0 0 508.663 4.162 1 0 KIAFRN COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013776507 561728563 /nfs/dbraw/zinc/72/85/63/561728563.db2.gz ZGATUVIZAFWRTP-OWRFIYDKSA-N 0 0 508.663 4.162 1 0 KIAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(C(=O)N(C)C)c23)cc1 ZINC000013776629 561728633 /nfs/dbraw/zinc/72/86/33/561728633.db2.gz GTOLUNAZLSXFSR-UHFFFAOYSA-N 0 0 508.582 4.205 1 0 KIAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)s1)cn2C(=O)N(C)C ZINC000013776660 561728636 /nfs/dbraw/zinc/72/86/36/561728636.db2.gz KKGKLAAGIXYTTG-UHFFFAOYSA-N 0 0 501.568 4.352 1 0 KIAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C ZINC000013776663 561728660 /nfs/dbraw/zinc/72/86/60/561728660.db2.gz RKVXWSWFIMOEOF-UHFFFAOYSA-N 0 0 513.529 4.429 1 0 KIAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(OC)c1)cn2C(=O)N(C)C ZINC000013776665 561728651 /nfs/dbraw/zinc/72/86/51/561728651.db2.gz OBKCUBAHCAYDFP-UHFFFAOYSA-N 0 0 525.565 4.299 1 0 KIAFRN CC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778293 561728817 /nfs/dbraw/zinc/72/88/17/561728817.db2.gz AVLLBMJSRITQLF-UHFFFAOYSA-N 0 0 514.207 4.390 1 0 KIAFRN CC(C)(C(=O)N1CCC(CC(=O)[O-])CC1)[C@@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1ccc2ccccc2c1 ZINC000013779869 561728927 /nfs/dbraw/zinc/72/89/27/561728927.db2.gz PYTPBQPFKRVDTH-SANMLTNESA-N 0 0 514.626 4.334 1 0 KIAFRN CC(C)(C(=O)N1CCC(CC(=O)[O-])CC1)[C@H](NC(=O)c1ccc(C(N)=[NH2+])cc1)c1ccc2ccccc2c1 ZINC000013779870 561728926 /nfs/dbraw/zinc/72/89/26/561728926.db2.gz PYTPBQPFKRVDTH-AREMUKBSSA-N 0 0 514.626 4.334 1 0 KIAFRN Cc1ccccc1CNC(=S)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000013780785 561729210 /nfs/dbraw/zinc/72/92/10/561729210.db2.gz YPYHWGJECASGOL-NSOVKSMOSA-N 0 0 528.722 4.220 1 0 KIAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1 ZINC000013780788 561729205 /nfs/dbraw/zinc/72/92/05/561729205.db2.gz JVFWMCDLDRFBQK-UIOOFZCWSA-N 0 0 500.668 4.234 1 0 KIAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]1CCCO1 ZINC000013780906 561729366 /nfs/dbraw/zinc/72/93/66/561729366.db2.gz ABQDXGJXZPQJDX-NBCVKUGOSA-N 0 0 502.652 4.272 1 0 KIAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@H]1CCCO1 ZINC000013780907 561729322 /nfs/dbraw/zinc/72/93/22/561729322.db2.gz ABQDXGJXZPQJDX-IQXSCUCBSA-N 0 0 502.652 4.272 1 0 KIAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCc1cccn1C ZINC000013780909 561729258 /nfs/dbraw/zinc/72/92/58/561729258.db2.gz PTWHEHNWQHTLPY-FMGHJNRGSA-N 0 0 511.663 4.284 1 0 KIAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCc1ccccn1 ZINC000013780910 561729361 /nfs/dbraw/zinc/72/93/61/561729361.db2.gz FIVLYOIAUYHSKL-FMGHJNRGSA-N 0 0 509.647 4.341 1 0 KIAFRN S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCn1ccnc1 ZINC000013782010 561729639 /nfs/dbraw/zinc/72/96/39/561729639.db2.gz WRTYQXXLXRUQCR-UHFFFAOYSA-N 0 0 501.498 4.382 1 0 KIAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccccc3)C2=O)c1 ZINC000013798740 561730193 /nfs/dbraw/zinc/73/01/93/561730193.db2.gz OXOKLHYYXDZNOV-DEOSSOPVSA-N 0 0 506.628 4.043 1 0 KIAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NS(=O)(=O)c3ccccc3)C2=O)c1 ZINC000013798744 561730161 /nfs/dbraw/zinc/73/01/61/561730161.db2.gz OXOKLHYYXDZNOV-XMMPIXPASA-N 0 0 506.628 4.043 1 0 KIAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000013800418 561730512 /nfs/dbraw/zinc/73/05/12/561730512.db2.gz KANHASGBLWIAIA-LKTAUULVSA-N 0 0 502.567 4.143 1 0 KIAFRN COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)C[N@@H+]2CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000013800420 561730529 /nfs/dbraw/zinc/73/05/29/561730529.db2.gz KANHASGBLWIAIA-DAMWSAEXSA-N 0 0 502.567 4.143 1 0 KIAFRN CSCC[C@H](NC(=O)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000013802295 561730840 /nfs/dbraw/zinc/73/08/40/561730840.db2.gz GYOPLKVPTMXBCN-HOFKKMOUSA-N 0 0 506.668 4.291 1 0 KIAFRN O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cc3ccccc3o2)c1 ZINC000013803145 561730954 /nfs/dbraw/zinc/73/09/54/561730954.db2.gz HGYNMCLNIZPLLT-RCZVLFRGSA-N 0 0 532.641 4.145 1 0 KIAFRN O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cc3ccccc3o2)c1 ZINC000013803148 561730972 /nfs/dbraw/zinc/73/09/72/561730972.db2.gz HGYNMCLNIZPLLT-RDGATRHJSA-N 0 0 532.641 4.145 1 0 KIAFRN O=C([O-])C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cc3ccccc3o2)c1 ZINC000013803150 561730961 /nfs/dbraw/zinc/73/09/61/561730961.db2.gz HGYNMCLNIZPLLT-WIOPSUGQSA-N 0 0 532.641 4.145 1 0 KIAFRN O=C([O-])C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2cc3ccccc3o2)c1 ZINC000013803153 561730968 /nfs/dbraw/zinc/73/09/68/561730968.db2.gz HGYNMCLNIZPLLT-DHLKQENFSA-N 0 0 532.641 4.145 1 0 KIAFRN O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc(Cl)s2)c1 ZINC000013803155 561730942 /nfs/dbraw/zinc/73/09/42/561730942.db2.gz DOIXTLSLWVMJJW-WIYYLYMNSA-N 0 0 533.094 4.114 1 0 KIAFRN O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc(Cl)s2)c1 ZINC000013803158 561730969 /nfs/dbraw/zinc/73/09/69/561730969.db2.gz DOIXTLSLWVMJJW-NQIIRXRSSA-N 0 0 533.094 4.114 1 0 KIAFRN O=C([O-])C[C@@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc(Cl)s2)c1 ZINC000013803161 561730939 /nfs/dbraw/zinc/73/09/39/561730939.db2.gz DOIXTLSLWVMJJW-GHTZIAJQSA-N 0 0 533.094 4.114 1 0 KIAFRN O=C([O-])C[C@H](NC(=O)[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1)c1cncc(-c2ccc(Cl)s2)c1 ZINC000013803163 561730967 /nfs/dbraw/zinc/73/09/67/561730967.db2.gz DOIXTLSLWVMJJW-RXVVDRJESA-N 0 0 533.094 4.114 1 0 KIAFRN Cn1cc(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000013804822 561731406 /nfs/dbraw/zinc/73/14/06/561731406.db2.gz KQIWQCDKADTHEY-UHFFFAOYSA-N 0 0 503.566 4.345 1 0 KIAFRN CC(CCCCn1cnc2c1NC=NC[C@@H]2O)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000013807829 561731469 /nfs/dbraw/zinc/73/14/69/561731469.db2.gz BWGHNXYMMZLLLX-QHCPKHFHSA-N 0 0 504.587 4.034 1 0 KIAFRN CC(CCCCn1cnc2c1NC=NC[C@H]2O)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000013807831 561731438 /nfs/dbraw/zinc/73/14/38/561731438.db2.gz BWGHNXYMMZLLLX-HSZRJFAPSA-N 0 0 504.587 4.034 1 0 KIAFRN CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1Cl ZINC000013813379 561731846 /nfs/dbraw/zinc/73/18/46/561731846.db2.gz ZWHQLAPMFTYJKB-IBGZPJMESA-N 0 0 509.857 4.219 1 0 KIAFRN CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1cccc(Cl)c1 ZINC000013813384 561731854 /nfs/dbraw/zinc/73/18/54/561731854.db2.gz FCAIKTYDWLTVQR-FQEVSTJZSA-N 0 0 509.857 4.219 1 0 KIAFRN O=C(/C=C/c1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1)N1CCOCC1 ZINC000013814835 561732000 /nfs/dbraw/zinc/73/20/00/561732000.db2.gz FYCLIBMUEUKVCF-VQHVLOKHSA-N 0 0 502.080 4.497 1 0 KIAFRN O=C([O-])c1cccc(NC(=O)N2CCC(C[NH2+]C[C@H](O)COc3cccc4[nH]c5ccccc5c43)CC2)c1 ZINC000013819014 561732404 /nfs/dbraw/zinc/73/24/04/561732404.db2.gz JODNVGYVQPMCKV-QFIPXVFZSA-N 0 0 516.598 4.293 1 0 KIAFRN CCCc1c(COc2ccc(Cc3nnn(CCCCCCc4nn[nH]n4)n3)cc2)ccc(C(C)=O)c1O ZINC000013824195 561732717 /nfs/dbraw/zinc/73/27/17/561732717.db2.gz DXDXBXSDNXXWBT-UHFFFAOYSA-N 0 0 518.622 4.020 1 0 KIAFRN CCCCc1nn(CCCCCC(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832240 561733503 /nfs/dbraw/zinc/73/35/03/561733503.db2.gz PJQHMCYBMZPKDR-UHFFFAOYSA-N 0 0 517.634 4.406 1 0 KIAFRN CCCCc1nn(-c2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832645 561733632 /nfs/dbraw/zinc/73/36/32/561733632.db2.gz KCMDGVOHTNAUCZ-UHFFFAOYSA-N 0 0 509.570 4.059 1 0 KIAFRN CCCCc1nn(-c2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832649 561733625 /nfs/dbraw/zinc/73/36/25/561733625.db2.gz WRSDIEZAVLTZHY-UHFFFAOYSA-N 0 0 509.570 4.059 1 0 KIAFRN CCCCc1nn(Cc2cccc(C(=O)OC)c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832700 561733571 /nfs/dbraw/zinc/73/35/71/561733571.db2.gz APGBIAWZEONLFL-UHFFFAOYSA-N 0 0 523.597 4.118 1 0 KIAFRN CCCCc1nn(Cc2ccc(C(=O)OC)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832701 561733548 /nfs/dbraw/zinc/73/35/48/561733548.db2.gz CTCYKZLAPSMDCH-UHFFFAOYSA-N 0 0 523.597 4.118 1 0 KIAFRN CCCCc1nn([C@@H](C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832702 561733668 /nfs/dbraw/zinc/73/36/68/561733668.db2.gz WPQQQVTXYDQTAE-AREMUKBSSA-N 0 0 523.597 4.045 1 0 KIAFRN CCCCc1nn([C@H](C(=O)OC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832703 561733730 /nfs/dbraw/zinc/73/37/30/561733730.db2.gz WPQQQVTXYDQTAE-SANMLTNESA-N 0 0 523.597 4.045 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)OCc1ccccc1 ZINC000013833711 561733873 /nfs/dbraw/zinc/73/38/73/561733873.db2.gz RICWCUBNTCWPPW-SVBPBHIXSA-N 0 0 530.621 4.368 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)OCc1ccccc1 ZINC000013833712 561733946 /nfs/dbraw/zinc/73/39/46/561733946.db2.gz RICWCUBNTCWPPW-SXOMAYOGSA-N 0 0 530.621 4.368 1 0 KIAFRN CCOc1c(Sc2ccc(/C=C/C(=O)N3CCN(C(C)=O)CC3)cc2Cl)ccc2c1OCCO2 ZINC000013862560 561734768 /nfs/dbraw/zinc/73/47/68/561734768.db2.gz YSCQEWQIIQUHAR-WEVVVXLNSA-N 0 0 503.020 4.365 1 0 KIAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1ccc(O)cc1 ZINC000013863108 561735004 /nfs/dbraw/zinc/73/50/04/561735004.db2.gz KDDUDKICHBLUHR-UHFFFAOYSA-N 0 0 521.522 4.193 1 0 KIAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1-c1cccc(N)c1 ZINC000013863110 561735013 /nfs/dbraw/zinc/73/50/13/561735013.db2.gz NOFQFTSRQWDHQU-UHFFFAOYSA-N 0 0 520.538 4.070 1 0 KIAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4nsnc4c3)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013911062 561735763 /nfs/dbraw/zinc/73/57/63/561735763.db2.gz ICXHSKRYFGHTBQ-MHZLTWQESA-N 0 0 520.563 4.124 1 0 KIAFRN 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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CF ZINC000014096067 561736408 /nfs/dbraw/zinc/73/64/08/561736408.db2.gz IYBGDZCDHJLMSQ-GSDHBNRESA-N 0 0 541.664 4.125 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1=O ZINC000014096697 561736543 /nfs/dbraw/zinc/73/65/43/561736543.db2.gz OBXMLFFPNXDMON-NSOVKSMOSA-N 0 0 593.702 4.268 1 0 KIAFRN CCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)CN)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC(C)C ZINC000014243182 561738178 /nfs/dbraw/zinc/73/81/78/561738178.db2.gz YKTLVHADOSXGLD-QKDODKLFSA-N 0 0 608.771 4.014 1 0 KIAFRN CCOc1nc2cccc(C(=O)O[C@@H](C)OC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000014255257 561738580 /nfs/dbraw/zinc/73/85/80/561738580.db2.gz MHYCZSLRSHMIJZ-SFHVURJKSA-N 0 0 526.553 4.396 1 0 KIAFRN COCC[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCN(C(N)=O)CC1 ZINC000014299657 561739479 /nfs/dbraw/zinc/73/94/79/561739479.db2.gz JXRQSWZVIHDLQO-RBJSKKJNSA-N 0 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BVXWMYQTUQMUTR-CKROWEISSA-N 0 0 582.738 4.135 1 0 KIAFRN COCCCCCN1C(=O)N(CCCCCOC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000014907472 561740214 /nfs/dbraw/zinc/74/02/14/561740214.db2.gz HIMYXPUMLAHVRJ-XAZDILKDSA-N 0 0 526.718 4.302 1 0 KIAFRN O=C1N(Cc2ccc3n[nH]cc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CCO)c1 ZINC000014908092 561740213 /nfs/dbraw/zinc/74/02/13/561740213.db2.gz PHJUBIAVEOBIMZ-WDKGQIBQSA-N 0 0 590.724 4.480 1 0 KIAFRN O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000014908117 561740200 /nfs/dbraw/zinc/74/02/00/561740200.db2.gz ZGLNLADIKLQLDI-CZNDPXEESA-N 0 0 551.687 4.498 1 0 KIAFRN O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccoc2)N1Cc1ccc(CO)cc1 ZINC000014908119 561740185 /nfs/dbraw/zinc/74/01/85/561740185.db2.gz FVXGZVWGOFVUIM-FIRIVFDPSA-N 0 0 541.648 4.091 1 0 KIAFRN CC(C)C[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942888 561740445 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CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc2ccccc2c1)NS(C)(=O)=O)C(=O)NC(C)(C)C ZINC000014943178 561741056 /nfs/dbraw/zinc/74/10/56/561741056.db2.gz IWAJOTAOLYGYBV-FRXPANAUSA-N 0 0 642.888 4.404 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1C(N)=O ZINC000014943188 561741174 /nfs/dbraw/zinc/74/11/74/561741174.db2.gz ROOKYLNNFCRHNK-WJBPYKOESA-N 0 0 571.718 4.247 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943217 561741124 /nfs/dbraw/zinc/74/11/24/561741124.db2.gz XCAIGOGENFFHKM-BANMPPSNSA-N 0 0 560.691 4.212 1 0 KIAFRN C[S@@](=O)c1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000014943279 561741254 /nfs/dbraw/zinc/74/12/54/561741254.db2.gz SWJSIAZKWPALMA-RBKZCNHOSA-N 0 0 606.785 4.244 1 0 KIAFRN C[S@](=O)c1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000014943280 561741253 /nfs/dbraw/zinc/74/12/53/561741253.db2.gz SWJSIAZKWPALMA-XWVVHDMOSA-N 0 0 606.785 4.244 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943282 561741231 /nfs/dbraw/zinc/74/12/31/561741231.db2.gz AXEUVBCBVIQZCZ-BANMPPSNSA-N 0 0 560.691 4.212 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943283 561741234 /nfs/dbraw/zinc/74/12/34/561741234.db2.gz IXMOCJVKYIUCEJ-BANMPPSNSA-N 0 0 560.691 4.212 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(CCO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000014943285 561741255 /nfs/dbraw/zinc/74/12/55/561741255.db2.gz LGYBUYUKEZVHLQ-SWMBRKMBSA-N 0 0 588.745 4.042 1 0 KIAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000014943289 561741241 /nfs/dbraw/zinc/74/12/41/561741241.db2.gz KYTKGYRYFOOIRX-XWHIBYANSA-N 0 0 576.697 4.296 1 0 KIAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000014943292 561741249 /nfs/dbraw/zinc/74/12/49/561741249.db2.gz KYTKGYRYFOOIRX-CPCREDONSA-N 0 0 576.697 4.296 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C ZINC000014943371 561741646 /nfs/dbraw/zinc/74/16/46/561741646.db2.gz UPWOUZDRKCEYPI-XPMOVWHWSA-N 0 0 624.823 4.109 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C ZINC000014943372 561741635 /nfs/dbraw/zinc/74/16/35/561741635.db2.gz UPWOUZDRKCEYPI-UONLKORASA-N 0 0 624.823 4.109 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@H](C(=O)NC(C)(C)C)C(C)(C)C ZINC000014943373 561741607 /nfs/dbraw/zinc/74/16/07/561741607.db2.gz GAAOWWZYXBJCRW-UONLKORASA-N 0 0 624.823 4.109 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@@H](C(=O)NC(C)(C)C)C(C)(C)C ZINC000014943374 561741644 /nfs/dbraw/zinc/74/16/44/561741644.db2.gz GAAOWWZYXBJCRW-XPMOVWHWSA-N 0 0 624.823 4.109 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C ZINC000014943376 561741632 /nfs/dbraw/zinc/74/16/32/561741632.db2.gz UPWOUZDRKCEYPI-NUISNXNRSA-N 0 0 624.823 4.109 1 0 KIAFRN CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C ZINC000014943378 561741584 /nfs/dbraw/zinc/74/15/84/561741584.db2.gz JLBJKFNEWPIYQA-GMQQYTKMSA-N 0 0 539.717 4.358 1 0 KIAFRN CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)(C)C ZINC000014943383 561741630 /nfs/dbraw/zinc/74/16/30/561741630.db2.gz COOPLUBZYCIUFU-LLEAZYAYSA-N 0 0 638.850 4.499 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000014943386 561741601 /nfs/dbraw/zinc/74/16/01/561741601.db2.gz ZWFXDTZPQGCUFZ-UNFRKHOWSA-N 0 0 545.680 4.075 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)C1CCCCC1 ZINC000014943387 561741579 /nfs/dbraw/zinc/74/15/79/561741579.db2.gz QAANQHJXPHLYNG-UNFRKHOWSA-N 0 0 551.728 4.283 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(N)=O ZINC000014943390 561741616 /nfs/dbraw/zinc/74/16/16/561741616.db2.gz PNVCFXPLGXQKBQ-DEGSFCBCSA-N 0 0 598.744 4.426 1 0 KIAFRN CCN(c1ncccc1NC(C)C)C1CCN(C(=O)c2cc3cc(NC(=O)N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC000014943523 561741857 /nfs/dbraw/zinc/74/18/57/561741857.db2.gz BWFUDYUEKKDPNU-UHFFFAOYSA-N 0 0 546.720 4.294 1 0 KIAFRN CNC(=S)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943825 561741980 /nfs/dbraw/zinc/74/19/80/561741980.db2.gz SZXQFOZWAWPFBE-UHFFFAOYSA-N 0 0 541.453 4.500 1 0 KIAFRN Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c21 ZINC000014944882 561742729 /nfs/dbraw/zinc/74/27/29/561742729.db2.gz MDCWIVYFXQKDOP-HAHDFKILSA-N 0 0 560.618 4.220 1 0 KIAFRN Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c21 ZINC000014944884 561742656 /nfs/dbraw/zinc/74/26/56/561742656.db2.gz JHZHWAOFJSCIEJ-XHPQRKPJSA-N 0 0 602.699 4.414 1 0 KIAFRN CN(c1ccc(NS(=O)(=O)Cc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 ZINC000014945127 561742790 /nfs/dbraw/zinc/74/27/90/561742790.db2.gz ROIHUUVUCIGOLZ-UHFFFAOYSA-N 0 0 537.667 4.475 1 0 KIAFRN COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1 ZINC000014945376 561742980 /nfs/dbraw/zinc/74/29/80/561742980.db2.gz RNSUPAGDKUJPOH-UHFFFAOYSA-N 0 0 531.455 4.215 1 0 KIAFRN CCCCOc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)c1C(=O)c1c(F)cccc1F ZINC000014945664 561743137 /nfs/dbraw/zinc/74/31/37/561743137.db2.gz CWPZIVZTUUDPOJ-UHFFFAOYSA-N 0 0 504.559 4.346 1 0 KIAFRN Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccc4c(c3)CCO4)[C@H](O)[C@@H](O)[C@H]2Cc2ccc3c(c2)CCO3)c1 ZINC000014945752 561743241 /nfs/dbraw/zinc/74/32/41/561743241.db2.gz FOVRWBMYYSFRJC-VPZGHRDASA-N 0 0 620.750 4.103 1 0 KIAFRN O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2O)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2O)N1Cc1ccccc1 ZINC000014945759 561743255 /nfs/dbraw/zinc/74/32/55/561743255.db2.gz SJRFWBCULLJDGA-CKROWEISSA-N 0 0 538.644 4.480 1 0 KIAFRN O=C1N(Cc2ccccc2)[C@H](Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(O)cc2)N1Cc1ccccc1 ZINC000014945762 561743246 /nfs/dbraw/zinc/74/32/46/561743246.db2.gz RPTJRADKZYANBI-ZRTHHSRSSA-N 0 0 538.644 4.480 1 0 KIAFRN Nc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(N)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1 ZINC000014945763 561743258 /nfs/dbraw/zinc/74/32/58/561743258.db2.gz FQWCTMAHSVLUKL-ZRTHHSRSSA-N 0 0 536.676 4.233 1 0 KIAFRN O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(F)cc2)N1Cc1ccc(CO)cc1 ZINC000014945772 561743243 /nfs/dbraw/zinc/74/32/43/561743243.db2.gz PSHUCZKRZJVSPI-WZJLIZBTSA-N 0 0 602.678 4.332 1 0 KIAFRN COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(Cc3ccc(CO)cc3)C(=O)N2Cc2ccc(CO)cc2)c1 ZINC000014945773 561743256 /nfs/dbraw/zinc/74/32/56/561743256.db2.gz XZKOCRLLAUYWLK-NWJWHWDBSA-N 0 0 626.750 4.071 1 0 KIAFRN COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3ccc(CO)cc3)C(=O)N2Cc2ccc(CO)cc2)cc1 ZINC000014945775 561743389 /nfs/dbraw/zinc/74/33/89/561743389.db2.gz IBEFZWIXMAEVAT-NWJWHWDBSA-N 0 0 626.750 4.071 1 0 KIAFRN COc1cccc(CCNC(=O)C[C@H](O)[C@H](COCc2ccc(Br)cc2)NC(=O)c2c(F)cc(F)cc2F)c1 ZINC000014945931 561743342 /nfs/dbraw/zinc/74/33/42/561743342.db2.gz BQCVUFHAOOJMIL-DQEYMECFSA-N 0 0 609.439 4.300 1 0 KIAFRN O=C(C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1c(F)cc(F)cc1F)NC1CCCCC1 ZINC000014945932 561743398 /nfs/dbraw/zinc/74/33/98/561743398.db2.gz HNRLJKSYVDQMAQ-VXKWHMMOSA-N 0 0 557.407 4.382 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000014945936 561743471 /nfs/dbraw/zinc/74/34/71/561743471.db2.gz YHTKRGDAFFBWEU-KXDOSHFCSA-N 0 0 511.707 4.111 1 0 in-vitro KIAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@H](C)CC ZINC000014945937 561743455 /nfs/dbraw/zinc/74/34/55/561743455.db2.gz YHTKRGDAFFBWEU-ULKKMRMTSA-N 0 0 511.707 4.111 1 0 KIAFRN CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1 ZINC000014946331 561743460 /nfs/dbraw/zinc/74/34/60/561743460.db2.gz KBIPGDRYFVMXGQ-LOSJGSFVSA-N 0 0 536.691 4.303 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC2CCCCC2)cc1 ZINC000014946333 561743593 /nfs/dbraw/zinc/74/35/93/561743593.db2.gz JTEJMFKHUDDIBU-IZZNHLLZSA-N 0 0 548.702 4.447 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC2CCCC2)cc1 ZINC000014946334 561743603 /nfs/dbraw/zinc/74/36/03/561743603.db2.gz XBQGRVOIPHJWJN-LOSJGSFVSA-N 0 0 534.675 4.057 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2ccccc2)cc1 ZINC000014946336 561743580 /nfs/dbraw/zinc/74/35/80/561743580.db2.gz GCANREIOWKPDFF-IZZNHLLZSA-N 0 0 542.654 4.177 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccnc2)C[C@@H]1Cc1ccccc1 ZINC000014946349 561743586 /nfs/dbraw/zinc/74/35/86/561743586.db2.gz HLIQLUBLCWNUIK-HYKYCYJKSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccccn2)C[C@@H]1Cc1ccccc1 ZINC000014946350 561743613 /nfs/dbraw/zinc/74/36/13/561743613.db2.gz CAZKSSYEWOLGBU-HEEUHZSFSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccncc2)C[C@@H]1Cc1ccccc1 ZINC000014946351 561743566 /nfs/dbraw/zinc/74/35/66/561743566.db2.gz DXWPIROKDWNAHC-HYKYCYJKSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@H](Cc2ccncc2)C[C@@H]1Cc1ccccc1 ZINC000014946352 561743595 /nfs/dbraw/zinc/74/35/95/561743595.db2.gz MSHVMXAQTFDPOX-YCRFLMHJSA-N 0 0 603.763 4.468 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)[C@H](Cc3ccccc3)OC[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000014946355 561743561 /nfs/dbraw/zinc/74/35/61/561743561.db2.gz DESRIHHDJCUSEM-VATRQPNGSA-N 0 0 606.785 4.318 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)[C@@H](Cc3ccccc3)OC[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000014946356 561743617 /nfs/dbraw/zinc/74/36/17/561743617.db2.gz DESRIHHDJCUSEM-AARCXHMLSA-N 0 0 606.785 4.318 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCOCC2 ZINC000014946361 561743584 /nfs/dbraw/zinc/74/35/84/561743584.db2.gz SFZSFNOTTPWXJH-QAXKFHDJSA-N 0 0 582.741 4.011 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)C3(CCCCC3)OC[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000014946362 561743573 /nfs/dbraw/zinc/74/35/73/561743573.db2.gz AYPUGIQXANZCKJ-WUFINQPMSA-N 0 0 584.779 4.410 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1C/C=C\CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946366 561743696 /nfs/dbraw/zinc/74/36/96/561743696.db2.gz FSOOXQRRZAINCT-GEBWOXPISA-N 0 0 530.662 4.185 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946371 561743676 /nfs/dbraw/zinc/74/36/76/561743676.db2.gz KEKJFJPYOLOXEK-UIPNDDLNSA-N 0 0 532.678 4.409 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]2CCCCCCCCOc3c(O)cccc3C(=O)N2)cc1 ZINC000014946394 561743675 /nfs/dbraw/zinc/74/36/75/561743675.db2.gz QYNQJPUXKYUIKF-AHKZPQOWSA-N 0 0 562.729 4.330 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000014946398 561743702 /nfs/dbraw/zinc/74/37/02/561743702.db2.gz IGEOPGFVJYMVIT-UKILVPOCSA-N 0 0 576.712 4.050 1 0 KIAFRN CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000014946646 561743963 /nfs/dbraw/zinc/74/39/63/561743963.db2.gz VMNCMSQBCKDMCX-FRXPANAUSA-N 0 0 575.775 4.284 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946719 561744137 /nfs/dbraw/zinc/74/41/37/561744137.db2.gz NPPRMIZPWNCEAK-LJAQVGFWSA-N 0 0 566.768 4.270 1 0 KIAFRN COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)cc1 ZINC000014946723 561744158 /nfs/dbraw/zinc/74/41/58/561744158.db2.gz PWTBXIFCEAJMHS-LJAQVGFWSA-N 0 0 596.794 4.278 1 0 KIAFRN COc1cccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)c1OC ZINC000014946725 561744125 /nfs/dbraw/zinc/74/41/25/561744125.db2.gz BTVVAWAWQSVPJK-LJAQVGFWSA-N 0 0 626.820 4.287 1 0 KIAFRN COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)cc1OC ZINC000014946727 561744312 /nfs/dbraw/zinc/74/43/12/561744312.db2.gz WKVNGPLMYBRORB-LJAQVGFWSA-N 0 0 626.820 4.287 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1F)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946733 561744285 /nfs/dbraw/zinc/74/42/85/561744285.db2.gz QIIKEDUNGZNOBB-NDEPHWFRSA-N 0 0 584.758 4.409 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946734 561744305 /nfs/dbraw/zinc/74/43/05/561744305.db2.gz MEMWZEJKDLLITJ-LJAQVGFWSA-N 0 0 584.758 4.409 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946735 561744294 /nfs/dbraw/zinc/74/42/94/561744294.db2.gz BHIWBIFSAJDGCM-LJAQVGFWSA-N 0 0 584.758 4.409 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccnc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946746 561744271 /nfs/dbraw/zinc/74/42/71/561744271.db2.gz KUCPBPMVWXJNAI-NDEPHWFRSA-N 0 0 567.756 4.254 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014946747 561744310 /nfs/dbraw/zinc/74/43/10/561744310.db2.gz MPLBXHZCQCEEFQ-NDEPHWFRSA-N 0 0 567.756 4.254 1 0 KIAFRN COC(=O)N[C@H](C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000014947136 561744332 /nfs/dbraw/zinc/74/43/32/561744332.db2.gz QAHLFXYLXBBCPS-MVSFAKPFSA-N 0 0 624.804 4.120 1 0 KIAFRN COC(=O)N[C@@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000014947137 561744366 /nfs/dbraw/zinc/74/43/66/561744366.db2.gz QAHLFXYLXBBCPS-QCENPCRXSA-N 0 0 624.804 4.120 1 0 KIAFRN COC(=O)N[C@@H](C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000014947138 561744360 /nfs/dbraw/zinc/74/43/60/561744360.db2.gz QAHLFXYLXBBCPS-GRKNLSHJSA-N 0 0 624.804 4.120 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)C1CC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014947144 561744471 /nfs/dbraw/zinc/74/44/71/561744471.db2.gz IDZLZILNJRBKDA-DITALETJSA-N 0 0 634.843 4.290 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)N(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000014947146 561744489 /nfs/dbraw/zinc/74/44/89/561744489.db2.gz JTCZQHYELLIGKN-NYDCQLBNSA-N 0 0 637.847 4.035 1 0 KIAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cnc(NC(=O)c2cccc(Cl)c2)nc1 ZINC000014949900 561745329 /nfs/dbraw/zinc/74/53/29/561745329.db2.gz AOXJOSBWMOJKHF-UHFFFAOYSA-N 0 0 550.019 4.179 1 0 KIAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccc(F)c(Cl)c2)nc1 ZINC000014949903 561745298 /nfs/dbraw/zinc/74/52/98/561745298.db2.gz OBJQXZRQUYWVJO-UHFFFAOYSA-N 0 0 568.009 4.318 1 0 KIAFRN CCc1ccc(C(=O)Nc2ncc(Nc3ncnc4cc(OCCCN5CCOCC5)c(OC)cc43)cn2)cc1 ZINC000014949909 561745311 /nfs/dbraw/zinc/74/53/11/561745311.db2.gz DBUXDQRKRMIKFT-UHFFFAOYSA-N 0 0 543.628 4.088 1 0 KIAFRN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014949978 561745335 /nfs/dbraw/zinc/74/53/35/561745335.db2.gz ADSCKFYPYWFTKB-DFBJGRDBSA-N 0 0 528.074 4.198 1 0 KIAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12 ZINC000014950377 561745447 /nfs/dbraw/zinc/74/54/47/561745447.db2.gz QYJVSZKTSGFHME-UHFFFAOYSA-N 0 0 560.489 4.320 1 0 KIAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2c(=O)n(-c2ccc(-c4ccccc4S(N)(=O)=O)cc2)nc3C)cc1 ZINC000014950508 561745594 /nfs/dbraw/zinc/74/55/94/561745594.db2.gz MWWMMKSYCBBFRB-UHFFFAOYSA-N 0 0 555.538 4.222 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccccc4C(N)=O)c3C2=O)cc1 ZINC000014950614 561745650 /nfs/dbraw/zinc/74/56/50/561745650.db2.gz QLWWMHXUPONILX-UHFFFAOYSA-N 0 0 554.550 4.263 1 0 KIAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(N)=O)c1 ZINC000014950621 561745668 /nfs/dbraw/zinc/74/56/68/561745668.db2.gz JXDVPMIGKXIRMQ-UHFFFAOYSA-N 0 0 584.576 4.272 1 0 KIAFRN Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCCCN3CCOCC3)nc(C)n2)s1 ZINC000014952217 561746221 /nfs/dbraw/zinc/74/62/21/561746221.db2.gz CRHCQKSSAJEGRA-UHFFFAOYSA-N 0 0 502.044 4.333 1 0 KIAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 ZINC000014953505 561746645 /nfs/dbraw/zinc/74/66/45/561746645.db2.gz BFNKQTIJVFGCKQ-RMZANEDDSA-N 0 0 588.708 4.293 1 0 KIAFRN CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12 ZINC000014953510 561746613 /nfs/dbraw/zinc/74/66/13/561746613.db2.gz BFNKQTIJVFGCKQ-INJYMACJSA-N 0 0 588.708 4.293 1 0 KIAFRN COc1ccc(C(=O)NC2CCN(CC(=O)N3CCCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000014953615 561746734 /nfs/dbraw/zinc/74/67/34/561746734.db2.gz DHDMHUQPQCPSEY-UHFFFAOYSA-N 0 0 534.484 4.440 1 0 KIAFRN CCc1c(C(=O)NCCCn2ccnc2)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 ZINC000014954098 561746861 /nfs/dbraw/zinc/74/68/61/561746861.db2.gz TYIJYIGEKOSLCM-UHFFFAOYSA-N 0 0 519.613 4.450 1 0 KIAFRN Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C(=O)N4CCOCC4)c3)ccc21 ZINC000014955825 561747493 /nfs/dbraw/zinc/74/74/93/561747493.db2.gz JCBXKMGAKYCOTP-UHFFFAOYSA-N 0 0 542.039 4.426 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000014955845 561747441 /nfs/dbraw/zinc/74/74/41/561747441.db2.gz TVUZXHJCUAQECC-RUZDIDTESA-N 0 0 562.295 4.359 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Cl)c32)CC1 ZINC000014955848 561747480 /nfs/dbraw/zinc/74/74/80/561747480.db2.gz TVUZXHJCUAQECC-VWLOTQADSA-N 0 0 562.295 4.359 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)c(Cl)c3CCc3cc(Br)cnc32)CC1 ZINC000014955860 561747489 /nfs/dbraw/zinc/74/74/89/561747489.db2.gz MKGYPBDRQKFJKZ-VWLOTQADSA-N 0 0 562.295 4.359 1 0 KIAFRN CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956373 561747617 /nfs/dbraw/zinc/74/76/17/561747617.db2.gz YSYPJTRKLLMYQR-UHFFFAOYSA-N 0 0 558.731 4.177 1 0 KIAFRN CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1 ZINC000014956379 561747629 /nfs/dbraw/zinc/74/76/29/561747629.db2.gz SYQPAVSGPRYEOO-UHFFFAOYSA-N 0 0 578.721 4.159 1 0 KIAFRN CC(C)CCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000014957849 561748032 /nfs/dbraw/zinc/74/80/32/561748032.db2.gz MTOKQAVACDTPPW-MXNGIANISA-N 0 0 524.655 4.378 1 0 KIAFRN CC(C)CCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000014957853 561748155 /nfs/dbraw/zinc/74/81/55/561748155.db2.gz MTOKQAVACDTPPW-XOTQVGNESA-N 0 0 524.655 4.378 1 0 KIAFRN CC(C)CCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000014957861 561748133 /nfs/dbraw/zinc/74/81/33/561748133.db2.gz MTOKQAVACDTPPW-IMURIMMNSA-N 0 0 524.655 4.378 1 0 KIAFRN CS(=O)(=O)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959667 561748254 /nfs/dbraw/zinc/74/82/54/561748254.db2.gz DSSBUSBGXAYFEJ-UHFFFAOYSA-N 0 0 519.048 4.213 1 0 KIAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C[C@@H](O)CO)c1Cl ZINC000014963074 561748868 /nfs/dbraw/zinc/74/88/68/561748868.db2.gz UNCBIXCMUDNMIA-OAHLLOKOSA-N 0 0 573.886 4.402 1 0 KIAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C[C@H](O)CO)c1Cl ZINC000014963078 561748773 /nfs/dbraw/zinc/74/87/73/561748773.db2.gz UNCBIXCMUDNMIA-HNNXBMFYSA-N 0 0 573.886 4.402 1 0 KIAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CC(=O)N=C2N)c1Cl ZINC000014963170 561748982 /nfs/dbraw/zinc/74/89/82/561748982.db2.gz YKHVIGACMSKZNP-UHFFFAOYSA-N 0 0 567.842 4.273 1 0 KIAFRN CN1CCC([N@@H+]2CCC[C@@H]2CCNc2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000014964633 561749456 /nfs/dbraw/zinc/74/94/56/561749456.db2.gz AZWPJUJCAJYRBJ-JOCHJYFZSA-N 0 0 540.730 4.425 1 0 KIAFRN CN1CCC([N@@H+]2CCC[C@H]2CCNc2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000014964637 561749400 /nfs/dbraw/zinc/74/94/00/561749400.db2.gz AZWPJUJCAJYRBJ-QFIPXVFZSA-N 0 0 540.730 4.425 1 0 KIAFRN CN1CCC([NH+]2CCC(CNc3ccccc3S(=O)(=O)Nc3ccc4c(c3C(=O)[O-])CCCC4)CC2)CC1 ZINC000014964665 561749386 /nfs/dbraw/zinc/74/93/86/561749386.db2.gz OQLRBPNTDGNIET-UHFFFAOYSA-N 0 0 540.730 4.283 1 0 KIAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c[n+]3[O-])ccc2[nH]1 ZINC000014965535 561749658 /nfs/dbraw/zinc/74/96/58/561749658.db2.gz XAIJULJJMLLWOQ-UHFFFAOYSA-N 0 0 520.399 4.391 1 0 KIAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN(C)C(C)=O)CCC3)cc1 ZINC000014966536 561749977 /nfs/dbraw/zinc/74/99/77/561749977.db2.gz QUBCQRMRMDXUHX-WJOKGBTCSA-N 0 0 630.786 4.296 1 0 KIAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCN2CCCC2=O)CCC3)cc1 ZINC000014966540 561749947 /nfs/dbraw/zinc/74/99/47/561749947.db2.gz GNLDZONRYOENMG-WJOKGBTCSA-N 0 0 642.797 4.440 1 0 KIAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCCO)CCC3)cc1 ZINC000014966562 561750024 /nfs/dbraw/zinc/75/00/24/561750024.db2.gz HEFYJBZEIVFECQ-GDLZYMKVSA-N 0 0 589.733 4.200 1 0 KIAFRN COCCCN1c2cc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc2CCC1=O ZINC000014966571 561749969 /nfs/dbraw/zinc/74/99/69/561749969.db2.gz HSXYVWHEMSHBBB-GDLZYMKVSA-N 0 0 617.743 4.380 1 0 KIAFRN CC(C)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000014969078 561750432 /nfs/dbraw/zinc/75/04/32/561750432.db2.gz RNNRJYLAQGIPJH-OAHLLOKOSA-N 0 0 567.161 4.472 1 0 KIAFRN COc1ccc(-n2nc(C(=O)[O-])c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969387 561750569 /nfs/dbraw/zinc/75/05/69/561750569.db2.gz LXAASMXDKITPJA-XMMPIXPASA-N 0 0 538.604 4.016 1 0 KIAFRN COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(c3ccccc3CN3CCOCC3)CC2)cc1 ZINC000014969617 561750845 /nfs/dbraw/zinc/75/08/45/561750845.db2.gz GEZSGMSCSMDRCW-UHFFFAOYSA-N 0 0 543.590 4.131 1 0 KIAFRN COc1ccc(NCCNC(=O)[C@H](Cc2c(F)c(F)c(F)c(F)c2F)NC(=O)c2cccc(C)c2)cc1 ZINC000014971383 561751199 /nfs/dbraw/zinc/75/11/99/561751199.db2.gz XSNHMLRAMNDWFZ-IBGZPJMESA-N 0 0 521.486 4.269 1 0 KIAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(c3ncc(Br)cn3)CC2)cc1 ZINC000014971429 561751190 /nfs/dbraw/zinc/75/11/90/561751190.db2.gz MCBHNRRDKDEYCE-VWLOTQADSA-N 0 0 587.563 4.148 1 0 KIAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN(c3ncc(Br)cn3)C2)cc1 ZINC000014971433 561751179 /nfs/dbraw/zinc/75/11/79/561751179.db2.gz ILOMOYYBNFSCRF-BWKNWUBXSA-N 0 0 587.563 4.148 1 0 KIAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCN(c3ncc(Br)cn3)C2)cc1 ZINC000014971438 561751208 /nfs/dbraw/zinc/75/12/08/561751208.db2.gz ILOMOYYBNFSCRF-OFVILXPXSA-N 0 0 587.563 4.148 1 0 KIAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cnn(-c3ccccc3)c2C)cc1 ZINC000014971444 561751204 /nfs/dbraw/zinc/75/12/04/561751204.db2.gz SOLUSPIOJGWVKG-MHZLTWQESA-N 0 0 503.647 4.486 1 0 KIAFRN COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@@H](CCO)CN2CCc3cc(F)ccc32)c1 ZINC000014971526 561751188 /nfs/dbraw/zinc/75/11/88/561751188.db2.gz JOSXXJCFANMWHS-BDYUSTAISA-N 0 0 525.665 4.223 1 0 KIAFRN COc1cccc(C(=O)N[C@@H](CCC2CCCCC2)C(=O)N[C@H](CN2CCc3cc(F)ccc32)[C@@H](C)O)c1 ZINC000014971530 561751182 /nfs/dbraw/zinc/75/11/82/561751182.db2.gz WDFFUHXXXVWAOH-JAMKYWPSSA-N 0 0 525.665 4.222 1 0 KIAFRN CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 ZINC000014971750 561751276 /nfs/dbraw/zinc/75/12/76/561751276.db2.gz CHTFNMSXYMATRD-YADHBBJMSA-N 0 0 521.580 4.390 1 0 KIAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000014971770 561751291 /nfs/dbraw/zinc/75/12/91/561751291.db2.gz CNJNVNZFKGRALN-XZOQPEGZSA-N 0 0 507.553 4.171 1 0 KIAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1 ZINC000014971774 561751302 /nfs/dbraw/zinc/75/13/02/561751302.db2.gz KJAHPFVPXUFAGF-XZOQPEGZSA-N 0 0 525.543 4.310 1 0 KIAFRN COc1ccc([C@H](CC(=O)N2CCOCC2)C(=O)N[C@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1 ZINC000014971782 561751281 /nfs/dbraw/zinc/75/12/81/561751281.db2.gz FBLAHLSPEPOPEB-BJKOFHAPSA-N 0 0 537.579 4.179 1 0 KIAFRN Cc1ccc([C@H](CC(=O)N2CCOCC2)C(=O)N[C@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1 ZINC000014971787 561751264 /nfs/dbraw/zinc/75/12/64/561751264.db2.gz DGYZBMMOVGHABN-BJKOFHAPSA-N 0 0 521.580 4.479 1 0 KIAFRN O=C(C[C@H](C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)N1CCOCC1 ZINC000014971811 561751421 /nfs/dbraw/zinc/75/14/21/561751421.db2.gz LCNDBRZXONXLLV-FQEVSTJZSA-N 0 0 533.469 4.165 1 0 KIAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 ZINC000014971832 561751418 /nfs/dbraw/zinc/75/14/18/561751418.db2.gz KRPHKEJLLOAKFV-UWJYYQICSA-N 0 0 501.546 4.310 1 0 KIAFRN CC(=O)N1CCN(C(=O)[C@H](CC2CCCCC2)OC(=O)N[C@@H](C)CN2CC(C)(C)c3cc(F)ccc32)CC1 ZINC000014971898 561751419 /nfs/dbraw/zinc/75/14/19/561751419.db2.gz XIEFYDOZNUXQSB-FNZWTVRRSA-N 0 0 530.685 4.068 1 0 KIAFRN C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@@H]1CCOC1 ZINC000014971962 561751428 /nfs/dbraw/zinc/75/14/28/561751428.db2.gz ZWWCAZDZUZLYET-DQLDELGASA-N 0 0 501.546 4.356 1 0 KIAFRN CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 ZINC000014971978 561751410 /nfs/dbraw/zinc/75/14/10/561751410.db2.gz BQJFNSUGTXLHFL-UGKGYDQZSA-N 0 0 514.589 4.273 1 0 KIAFRN CC(C)C[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O)N(C)C(=O)OCc1ccccc1 ZINC000014972296 561751442 /nfs/dbraw/zinc/75/14/42/561751442.db2.gz JSXZJHBCLGHLND-ULNSLHSMSA-N 0 0 622.763 4.249 1 0 KIAFRN CC(C)C[C@@H](C(=O)N[C@H]1CN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O)N(C)C(=O)OCc1ccccc1 ZINC000014972301 561751457 /nfs/dbraw/zinc/75/14/57/561751457.db2.gz JSXZJHBCLGHLND-AWCRTANDSA-N 0 0 622.763 4.249 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O ZINC000014972316 561751481 /nfs/dbraw/zinc/75/14/81/561751481.db2.gz NTDMZLMRXGXCAE-ULNSLHSMSA-N 0 0 622.763 4.297 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O ZINC000014972321 561751456 /nfs/dbraw/zinc/75/14/56/561751456.db2.gz NTDMZLMRXGXCAE-AWCRTANDSA-N 0 0 622.763 4.297 1 0 KIAFRN CC(C)C[C@@H](CN1CC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C1)NC(=O)OCc1ccccc1 ZINC000014972326 561751445 /nfs/dbraw/zinc/75/14/45/561751445.db2.gz DLJDOHHQJSCLFD-LOAGWBBBSA-N 0 0 601.748 4.090 1 0 KIAFRN CC(C)C[C@@H](CN1CC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C1)NC(=O)OCc1ccccc1 ZINC000014972330 561751470 /nfs/dbraw/zinc/75/14/70/561751470.db2.gz DLJDOHHQJSCLFD-BKHJTQGXSA-N 0 0 601.748 4.090 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000014973203 561751899 /nfs/dbraw/zinc/75/18/99/561751899.db2.gz NJQVVEQQDASVGB-IRLDBZIGSA-N 0 0 502.677 4.343 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000014973207 561751904 /nfs/dbraw/zinc/75/19/04/561751904.db2.gz NJQVVEQQDASVGB-UNMCSNQZSA-N 0 0 502.677 4.343 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000014973211 561751905 /nfs/dbraw/zinc/75/19/05/561751905.db2.gz NJQVVEQQDASVGB-IFMALSPDSA-N 0 0 502.677 4.343 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000014973215 561751866 /nfs/dbraw/zinc/75/18/66/561751866.db2.gz NJQVVEQQDASVGB-RBBKRZOGSA-N 0 0 502.677 4.343 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973219 561751863 /nfs/dbraw/zinc/75/18/63/561751863.db2.gz JWXHFGHEMXYZOR-CTNGQTDRSA-N 0 0 520.667 4.482 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973223 561751885 /nfs/dbraw/zinc/75/18/85/561751885.db2.gz JWXHFGHEMXYZOR-FPOVZHCZSA-N 0 0 520.667 4.482 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973227 561751887 /nfs/dbraw/zinc/75/18/87/561751887.db2.gz JWXHFGHEMXYZOR-TZIWHRDSSA-N 0 0 520.667 4.482 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973231 561751892 /nfs/dbraw/zinc/75/18/92/561751892.db2.gz JWXHFGHEMXYZOR-PZJWPPBQSA-N 0 0 520.667 4.482 1 0 KIAFRN COc1cc([C@@H](C)C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000014973251 561751988 /nfs/dbraw/zinc/75/19/88/561751988.db2.gz OYGOFWNPGFKSDH-IRLDBZIGSA-N 0 0 532.703 4.351 1 0 KIAFRN COc1cc([C@H](C)C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000014973254 561751971 /nfs/dbraw/zinc/75/19/71/561751971.db2.gz OYGOFWNPGFKSDH-UNMCSNQZSA-N 0 0 532.703 4.351 1 0 KIAFRN COc1cc([C@@H](C)C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000014973258 561751996 /nfs/dbraw/zinc/75/19/96/561751996.db2.gz OYGOFWNPGFKSDH-IFMALSPDSA-N 0 0 532.703 4.351 1 0 KIAFRN COc1cc([C@H](C)C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000014973262 561751984 /nfs/dbraw/zinc/75/19/84/561751984.db2.gz OYGOFWNPGFKSDH-RBBKRZOGSA-N 0 0 532.703 4.351 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=O)C2(c3ccc(NS(C)(=O)=O)cc3)CC2)COC(=O)C(C)(C)C)cc1C ZINC000014973288 561752004 /nfs/dbraw/zinc/75/20/04/561752004.db2.gz CXTIQQLCXJJMIN-QFIPXVFZSA-N 0 0 514.688 4.271 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=O)C2(c3ccc(NS(C)(=O)=O)cc3)CC2)COC(=O)C(C)(C)C)cc1C ZINC000014973292 561752006 /nfs/dbraw/zinc/75/20/06/561752006.db2.gz CXTIQQLCXJJMIN-JOCHJYFZSA-N 0 0 514.688 4.271 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CC2)COC(=O)C(C)(C)C)cc1C ZINC000014973296 561751992 /nfs/dbraw/zinc/75/19/92/561751992.db2.gz BZSPLBLRORRSLJ-NRFANRHFSA-N 0 0 532.678 4.410 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=O)C2(c3ccc(NS(C)(=O)=O)c(F)c3)CC2)COC(=O)C(C)(C)C)cc1C ZINC000014973299 561751976 /nfs/dbraw/zinc/75/19/76/561751976.db2.gz BZSPLBLRORRSLJ-OAQYLSRUSA-N 0 0 532.678 4.410 1 0 KIAFRN COc1cc(C2(C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc3ccc(C)c(C)c3)CC2)ccc1NS(C)(=O)=O ZINC000014973303 561752000 /nfs/dbraw/zinc/75/20/00/561752000.db2.gz SNACNEOXLOPRQK-QFIPXVFZSA-N 0 0 544.714 4.280 1 0 KIAFRN COc1cc(C2(C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc3ccc(C)c(C)c3)CC2)ccc1NS(C)(=O)=O ZINC000014973307 561751960 /nfs/dbraw/zinc/75/19/60/561751960.db2.gz SNACNEOXLOPRQK-JOCHJYFZSA-N 0 0 544.714 4.280 1 0 KIAFRN CN(CCO)C(=O)c1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2cc3ccccc3o2)cc1 ZINC000014978429 561752670 /nfs/dbraw/zinc/75/26/70/561752670.db2.gz PIQRJIRBRUZQQL-UHFFFAOYSA-N 0 0 517.607 4.166 1 0 KIAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@H](OC(=O)C(C)C)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](O)C[C@@H]1C ZINC000015155802 561752865 /nfs/dbraw/zinc/75/28/65/561752865.db2.gz PASSAFHUDJPXAL-VUMGHLBKSA-N 0 0 504.620 4.225 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000015268916 561752980 /nfs/dbraw/zinc/75/29/80/561752980.db2.gz KQODQNJLJQHFQV-OGKHPQBTSA-N 0 0 526.722 4.089 1 0 KIAFRN CN(C)Cc1nccn1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000016052516 561754057 /nfs/dbraw/zinc/75/40/57/561754057.db2.gz MGUDDBRJHXFTEY-UHFFFAOYSA-N 0 0 528.523 4.040 1 0 in-vitro KIAFRN CC(C)CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000016612552 561754194 /nfs/dbraw/zinc/75/41/94/561754194.db2.gz HRZLSHMJWBKYGI-UHFFFAOYSA-N 0 0 504.675 4.037 1 0 KIAFRN CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@@H]3C)c2)Nc2ccccc2N=C1CC ZINC000017527712 561755420 /nfs/dbraw/zinc/75/54/20/561755420.db2.gz SCYHVRBJCLBIIJ-SFHVURJKSA-N 0 0 554.669 4.371 1 0 KIAFRN CCOC(=O)C1=C(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC[C@H]3C)c2)Nc2ccccc2N=C1CC ZINC000017527714 561755360 /nfs/dbraw/zinc/75/53/60/561755360.db2.gz SCYHVRBJCLBIIJ-GOSISDBHSA-N 0 0 554.669 4.371 1 0 KIAFRN C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(S(=O)(=O)c1ccc(Cl)c2nonc21)CC3 ZINC000017654457 561757495 /nfs/dbraw/zinc/75/74/95/561757495.db2.gz CXNQSPGPVZBKNO-HNNXBMFYSA-N 0 0 527.002 4.058 1 0 KIAFRN O=C([C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000020285196 561758765 /nfs/dbraw/zinc/75/87/65/561758765.db2.gz DLSRCZNPQXSSQP-MUUNZHRXSA-N 0 0 517.651 4.072 1 0 KIAFRN O=C([C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000020285202 561758634 /nfs/dbraw/zinc/75/86/34/561758634.db2.gz DLSRCZNPQXSSQP-NDEPHWFRSA-N 0 0 517.651 4.072 1 0 KIAFRN COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000021289455 561758808 /nfs/dbraw/zinc/75/88/08/561758808.db2.gz QNIMLRHYPMIYSE-UHFFFAOYSA-N 0 0 522.650 4.368 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2c(Cl)cccc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000021290016 561758862 /nfs/dbraw/zinc/75/88/62/561758862.db2.gz QHZQAZXYYOGXAM-UHFFFAOYSA-N 0 0 591.886 4.477 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(C(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000022448000 561759092 /nfs/dbraw/zinc/75/90/92/561759092.db2.gz QQKJIZOFAXRQPI-LJQANCHMSA-N 0 0 533.576 4.231 1 0 KIAFRN COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1N ZINC000022450571 561759210 /nfs/dbraw/zinc/75/92/10/561759210.db2.gz LFKKHGNEPKOBPZ-UHFFFAOYSA-N 0 0 532.636 4.169 1 0 KIAFRN O=C([O-])C1CC[NH+](C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927882 561760049 /nfs/dbraw/zinc/76/00/49/561760049.db2.gz KKYGPFJNUCFSFY-AREMUKBSSA-N 0 0 508.490 4.135 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccccc4-c4ccccc4)CC3)ccc2s1 ZINC000022932443 561760328 /nfs/dbraw/zinc/76/03/28/561760328.db2.gz BHZUPUZWRZDLLZ-HSZRJFAPSA-N 0 0 516.667 4.268 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(-c5ccccc5)c4)CC3)ccc2s1 ZINC000022932446 561760223 /nfs/dbraw/zinc/76/02/23/561760223.db2.gz SZRMSHBRXJWBFG-RUZDIDTESA-N 0 0 516.667 4.268 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(-c5ccccc5)cc4)CC3)ccc2s1 ZINC000022932449 561760471 /nfs/dbraw/zinc/76/04/71/561760471.db2.gz SYEUUCQERNUTBQ-RUZDIDTESA-N 0 0 516.667 4.268 1 0 KIAFRN C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)C(C)(C)C)cc4OC[C@H]32)CC1 ZINC000022933308 561760428 /nfs/dbraw/zinc/76/04/28/561760428.db2.gz DGXYDPJRLWCWFV-ZXDVGYGBSA-N 0 0 503.643 4.471 1 0 KIAFRN COc1ccc(C(c2ccc(OC)cc2)N2CCN(C[C@@H](O)COc3cccc4ncccc43)CC2)cc1 ZINC000022934425 561760688 /nfs/dbraw/zinc/76/06/88/561760688.db2.gz RLMARSUJTBINAF-RUZDIDTESA-N 0 0 513.638 4.399 1 0 KIAFRN COc1ccc(C(c2ccc(OC)cc2)N2CCN(C[C@H](O)COc3cccc4ncccc43)CC2)cc1 ZINC000022934429 561760730 /nfs/dbraw/zinc/76/07/30/561760730.db2.gz RLMARSUJTBINAF-VWLOTQADSA-N 0 0 513.638 4.399 1 0 KIAFRN COc1ccc(CN(Cc2ccccc2)C(=O)CN2CCN(C)CC2)cc1COc1ccc(NC(C)=O)cc1 ZINC000022940586 561761077 /nfs/dbraw/zinc/76/10/77/561761077.db2.gz JHFPPDBCHVELNR-UHFFFAOYSA-N 0 0 530.669 4.009 1 0 KIAFRN O=c1[nH]c2ccccc2c(=O)n1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000022940789 561761029 /nfs/dbraw/zinc/76/10/29/561761029.db2.gz OEZDKSAWBIOPBE-RPLLCQBOSA-N 0 0 519.020 4.377 1 0 KIAFRN Nc1nc(SCCN2CCN(Cc3ccccc3Cl)CC2)nc(N)c1Cc1ccccc1Cl ZINC000022941215 561761033 /nfs/dbraw/zinc/76/10/33/561761033.db2.gz RIYQCSAKMKDUHA-UHFFFAOYSA-N 0 0 503.503 4.449 1 0 KIAFRN Nc1nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc(N)c1Cc1ccccc1 ZINC000022941221 561761068 /nfs/dbraw/zinc/76/10/68/561761068.db2.gz WEABDHWXDHHIIY-UHFFFAOYSA-N 0 0 502.610 4.161 1 0 KIAFRN Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941902 561761199 /nfs/dbraw/zinc/76/11/99/561761199.db2.gz IICSHLLWAXMCEQ-ZEQRLZLVSA-N 0 0 511.732 4.469 1 0 KIAFRN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000022941906 561761259 /nfs/dbraw/zinc/76/12/59/561761259.db2.gz NIQFKQNWLGIKCV-PMACEKPBSA-N 0 0 533.138 4.088 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000024447427 561762278 /nfs/dbraw/zinc/76/22/78/561762278.db2.gz AOMZDQMIOCTPQP-QHQMVRJISA-N 0 0 652.836 4.218 1 0 investigational KIAFRN CCOP(=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1)OCC ZINC000024880759 561762454 /nfs/dbraw/zinc/76/24/54/561762454.db2.gz FCLYPCIMVVLLRN-FXSYQQGGSA-N 0 0 728.798 4.404 1 0 in-vivo KIAFRN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCN(Cc3ccccc3)C2=O)c1 ZINC000024975881 561762604 /nfs/dbraw/zinc/76/26/04/561762604.db2.gz HZWNNIVRFLRAQW-CHQNGUEUSA-N 0 0 606.714 4.196 1 0 in-vitro KIAFRN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)c1 ZINC000024975929 561762595 /nfs/dbraw/zinc/76/25/95/561762595.db2.gz XKXGRRZAMDHVGR-CPCREDONSA-N 0 0 620.741 4.238 1 0 in-vitro KIAFRN 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O=S(=O)(c1cccc2nonc21)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025982027 561763929 /nfs/dbraw/zinc/76/39/29/561763929.db2.gz VGARCTAIYARSNF-QHCPKHFHSA-N 0 0 514.611 4.158 1 0 KIAFRN COC(=O)c1cc(NC(=O)c2cc(NC(=O)Cn3cc(C4=C(c5c[nH]c6ccccc65)C(=O)NC4=O)c4ccccc43)cn2C)cn1C ZINC000025997015 561765222 /nfs/dbraw/zinc/76/52/22/561765222.db2.gz DWGQPLQKYPXSHE-UHFFFAOYSA-N 0 0 643.660 4.044 1 0 KIAFRN COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1nc2c(cc1Br)CCCN2 ZINC000025999862 561765284 /nfs/dbraw/zinc/76/52/84/561765284.db2.gz CICPWOGAFQCAEW-FQEVSTJZSA-N 0 0 519.440 4.081 1 0 KIAFRN COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)Oc1ccc(Cl)cc1 ZINC000026000330 561765249 /nfs/dbraw/zinc/76/52/49/561765249.db2.gz IZEFCOVMCNDCGL-DPKLXBOPSA-N 0 0 558.963 4.071 1 0 KIAFRN COC(=O)[C@@H](Cc1ccccc1)N[P@](=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)Oc1ccc(Cl)cc1 ZINC000026000337 561765288 /nfs/dbraw/zinc/76/52/88/561765288.db2.gz IZEFCOVMCNDCGL-OESYPQQYSA-N 0 0 558.963 4.071 1 0 KIAFRN 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/nfs/dbraw/zinc/76/64/78/561766478.db2.gz FHTWBDGPAKXUKP-OAQYLSRUSA-N 0 0 641.525 4.432 1 0 KIAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(NC(=O)C(F)(F)F)cc1)C(=O)C(F)(F)F ZINC000026017813 561766412 /nfs/dbraw/zinc/76/64/12/561766412.db2.gz FHTWBDGPAKXUKP-NRFANRHFSA-N 0 0 641.525 4.432 1 0 KIAFRN CC(=O)N[C@@H](CSc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000026018932 561766649 /nfs/dbraw/zinc/76/66/49/561766649.db2.gz HRXSGFOCQPWXOG-YTCPBCGMSA-N 0 0 561.748 4.143 1 0 KIAFRN CC(C)[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1C1CCCCC1)C(=O)C(F)(F)F ZINC000026018993 561766662 /nfs/dbraw/zinc/76/66/62/561766662.db2.gz FDJOVVMWHJYSLR-OAQYLSRUSA-N 0 0 536.551 4.312 1 0 KIAFRN CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1C1CCCCC1)C(=O)C(F)(F)F ZINC000026018999 561766636 /nfs/dbraw/zinc/76/66/36/561766636.db2.gz FDJOVVMWHJYSLR-NRFANRHFSA-N 0 0 536.551 4.312 1 0 KIAFRN COC(=O)Nc1nc2cc(C(=O)NCCc3ccc(NC(=O)c4ccc5[nH]c(NC(=O)OC)nc5c4)cc3)ccc2[nH]1 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508.640 4.442 1 0 KIAFRN O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1C/C=C\CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026150823 561767688 /nfs/dbraw/zinc/76/76/88/561767688.db2.gz FSOOXQRRZAINCT-MVFFEETRSA-N 0 0 530.662 4.185 1 0 KIAFRN O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1C/C=C\CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026150829 561767714 /nfs/dbraw/zinc/76/77/14/561767714.db2.gz FSOOXQRRZAINCT-VPGULHLNSA-N 0 0 530.662 4.185 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1C/C=C\CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026150843 561767680 /nfs/dbraw/zinc/76/76/80/561767680.db2.gz FSOOXQRRZAINCT-OKIXROFJSA-N 0 0 530.662 4.185 1 0 KIAFRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151181 561767682 /nfs/dbraw/zinc/76/76/82/561767682.db2.gz GHFZLQFZZCWSMK-FQLXRVMXSA-N 0 0 501.671 4.027 1 0 KIAFRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N2CCN(C[C@@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151187 561767711 /nfs/dbraw/zinc/76/77/11/561767711.db2.gz GHFZLQFZZCWSMK-WDYNHAJCSA-N 0 0 501.671 4.027 1 0 KIAFRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151194 561767716 /nfs/dbraw/zinc/76/77/16/561767716.db2.gz GHFZLQFZZCWSMK-URLMMPGGSA-N 0 0 501.671 4.027 1 0 KIAFRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N2CCN(C[C@H](O)COc3c(C)cccc3C)CC2)cc1 ZINC000026151202 561767636 /nfs/dbraw/zinc/76/76/36/561767636.db2.gz GHFZLQFZZCWSMK-VMPREFPWSA-N 0 0 501.671 4.027 1 0 KIAFRN O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153846 561767957 /nfs/dbraw/zinc/76/79/57/561767957.db2.gz KEKJFJPYOLOXEK-PWTLFHGOSA-N 0 0 532.678 4.409 1 0 KIAFRN O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153853 561767983 /nfs/dbraw/zinc/76/79/83/561767983.db2.gz KEKJFJPYOLOXEK-SHZNSVIDSA-N 0 0 532.678 4.409 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153859 561767940 /nfs/dbraw/zinc/76/79/40/561767940.db2.gz 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4.444 1 0 KIAFRN CCCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026173310 561770411 /nfs/dbraw/zinc/77/04/11/561770411.db2.gz QZLYOKHNUOFSHZ-UHFFFAOYSA-N 0 0 550.619 4.083 1 0 KIAFRN CCCOP(=O)(OCCC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026174159 561770632 /nfs/dbraw/zinc/77/06/32/561770632.db2.gz KSFTWHLCJBXNSO-XNVUGOGWSA-N 0 0 698.864 4.307 1 0 KIAFRN CCCOP(=O)(OCCC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026174163 561770633 /nfs/dbraw/zinc/77/06/33/561770633.db2.gz KSFTWHLCJBXNSO-HHIOAARCSA-N 0 0 698.864 4.307 1 0 KIAFRN NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026174180 561770613 /nfs/dbraw/zinc/77/06/13/561770613.db2.gz GBNCPSAJWFYGAV-GVBYMILNSA-N 0 0 670.770 4.427 1 0 KIAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nn[nH]n2)c2ccccc12 ZINC000026174995 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CCCOc1ccc(S(=O)(=O)N2CCC(P(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 ZINC000026176085 561770839 /nfs/dbraw/zinc/77/08/39/561770839.db2.gz PGEROQNFPFLCPC-UHFFFAOYSA-N 0 0 609.686 4.484 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000026176933 561770941 /nfs/dbraw/zinc/77/09/41/561770941.db2.gz NFVMZTGQYWKGPM-NTKLDSQTSA-N 0 0 722.883 4.357 1 0 KIAFRN Nc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(-c3cccc(Br)c3)c12 ZINC000026179426 561771398 /nfs/dbraw/zinc/77/13/98/561771398.db2.gz HBKXXYRJGCAAMS-UHFFFAOYSA-N 0 0 519.403 4.442 1 0 KIAFRN CC(C)n1cc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 ZINC000026179437 561771364 /nfs/dbraw/zinc/77/13/64/561771364.db2.gz CAWAMDJVBURMIX-XOPMNVLASA-N 0 0 566.702 4.184 1 0 KIAFRN CC(C)n1cc(C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 ZINC000026179443 561771362 /nfs/dbraw/zinc/77/13/62/561771362.db2.gz 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4.218 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2F)=N[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000026375707 561781754 /nfs/dbraw/zinc/78/17/54/561781754.db2.gz RRZKRPHYMGDLBB-OZXSUGGESA-N 0 0 530.600 4.218 1 0 KIAFRN CCCCCC[P@](=O)([O-])COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)c3c2CCC(=O)N3)cc1 ZINC000026375813 561781840 /nfs/dbraw/zinc/78/18/40/561781840.db2.gz OYCJUQCGJCLQEL-NRFANRHFSA-N 0 0 534.590 4.036 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2F)=N[C@@H](NC(=O)c2cccc(I)c2)C1=O ZINC000026376024 561781873 /nfs/dbraw/zinc/78/18/73/561781873.db2.gz SEIABTQHADRMGY-NRFANRHFSA-N 0 0 513.310 4.000 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3ccccc3)C(=O)C[C@@H]12 ZINC000026376261 561782039 /nfs/dbraw/zinc/78/20/39/561782039.db2.gz GJIMVDRKIKKNJY-DSITVLBTSA-N 0 0 545.640 4.110 1 0 KIAFRN Cc1nc2c(nc(Oc3cccc(C(=O)N(C)C)c3)nc2Oc2cc(C(N)=[NH2+])ccc2[O-])n1Cc1ccccc1 ZINC000026376265 561782070 /nfs/dbraw/zinc/78/20/70/561782070.db2.gz IKOPFZLRBYCQSH-UHFFFAOYSA-N 0 0 537.580 4.459 1 0 KIAFRN C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026376714 561782240 /nfs/dbraw/zinc/78/22/40/561782240.db2.gz RRZHTXXSJBRIGJ-WFCQOVNTSA-N 0 0 740.902 4.213 1 0 KIAFRN C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026376719 561782254 /nfs/dbraw/zinc/78/22/54/561782254.db2.gz RRZHTXXSJBRIGJ-HQKKAZOISA-N 0 0 740.902 4.213 1 0 KIAFRN CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3cc(Cl)cc(Cl)c3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026377822 561782596 /nfs/dbraw/zinc/78/25/96/561782596.db2.gz YOOFKQBDTIAHPV-OXMBMXHISA-N 0 0 711.753 4.304 1 0 KIAFRN Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1C ZINC000026378065 561782681 /nfs/dbraw/zinc/78/26/81/561782681.db2.gz GNVAHIVUDSENRG-HXUWFJFHSA-N 0 0 553.722 4.328 1 0 KIAFRN Cc1ccc(C[C@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2F)cc1C ZINC000026378067 561782705 /nfs/dbraw/zinc/78/27/05/561782705.db2.gz GNVAHIVUDSENRG-FQEVSTJZSA-N 0 0 553.722 4.328 1 0 KIAFRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026379065 561782962 /nfs/dbraw/zinc/78/29/62/561782962.db2.gz FRUPEHGUWUSLCV-MYHRABSESA-N 0 0 575.791 4.098 1 0 KIAFRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026379068 581098698 /nfs/dbraw/zinc/09/86/98/581098698.db2.gz FRUPEHGUWUSLCV-WNJKUOTESA-N 0 0 575.791 4.098 1 0 KIAFRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026379071 581098737 /nfs/dbraw/zinc/09/87/37/581098737.db2.gz FRUPEHGUWUSLCV-UCWKTGAJSA-N 0 0 575.791 4.098 1 0 KIAFRN CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026379074 581098648 /nfs/dbraw/zinc/09/86/48/581098648.db2.gz FRUPEHGUWUSLCV-MLZSXWJDSA-N 0 0 575.791 4.098 1 0 KIAFRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000026380558 561783316 /nfs/dbraw/zinc/78/33/16/561783316.db2.gz HECCHSXNGDXQJD-UIOOFZCWSA-N 0 0 590.856 4.439 1 0 KIAFRN COC(=O)c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000026381317 561783395 /nfs/dbraw/zinc/78/33/95/561783395.db2.gz QWEOVMIDUGDCGU-QNMIOERPSA-N 0 0 533.533 4.013 1 0 KIAFRN C[C@H](C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)[C@H](OCC(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000026381516 561783407 /nfs/dbraw/zinc/78/34/07/561783407.db2.gz YZJDMSYKSJXUBY-MEMLUFBQSA-N 0 0 553.446 4.129 1 0 KIAFRN COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026381619 561783442 /nfs/dbraw/zinc/78/34/42/561783442.db2.gz GRZABEOCWCINDM-QFIPXVFZSA-N 0 0 549.759 4.096 1 0 KIAFRN COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026381623 561783402 /nfs/dbraw/zinc/78/34/02/561783402.db2.gz GRZABEOCWCINDM-JOCHJYFZSA-N 0 0 549.759 4.096 1 0 KIAFRN CCOC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026382137 561783563 /nfs/dbraw/zinc/78/35/63/561783563.db2.gz WFUFILWJHBEQLW-VFFRCKCKSA-N 0 0 605.817 4.106 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026383210 561783691 /nfs/dbraw/zinc/78/36/91/561783691.db2.gz HBTAKNPQCLRELO-PSUXHBTPSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026383214 561783658 /nfs/dbraw/zinc/78/36/58/561783658.db2.gz HBTAKNPQCLRELO-JGBIIJINSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026383217 561783703 /nfs/dbraw/zinc/78/37/03/561783703.db2.gz HBTAKNPQCLRELO-HHMOXRITSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026383223 561783696 /nfs/dbraw/zinc/78/36/96/561783696.db2.gz HBTAKNPQCLRELO-JHFJJOSTSA-N 0 0 581.713 4.471 1 0 KIAFRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000026384062 561783828 /nfs/dbraw/zinc/78/38/28/561783828.db2.gz VGMPGBNZOBQACE-DQEYMECFSA-N 0 0 576.829 4.444 1 0 KIAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000026384171 561783977 /nfs/dbraw/zinc/78/39/77/561783977.db2.gz YYTQYPVRYLFKBE-SKZPZPHBSA-N 0 0 696.808 4.464 1 0 KIAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000026384176 561783948 /nfs/dbraw/zinc/78/39/48/561783948.db2.gz YYTQYPVRYLFKBE-ISDBSSCRSA-N 0 0 696.808 4.464 1 0 KIAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000026384180 561784007 /nfs/dbraw/zinc/78/40/07/561784007.db2.gz YYTQYPVRYLFKBE-PCJOSXSGSA-N 0 0 696.808 4.464 1 0 KIAFRN NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000026384184 561783986 /nfs/dbraw/zinc/78/39/86/561783986.db2.gz YYTQYPVRYLFKBE-SBGOSUNPSA-N 0 0 696.808 4.464 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026384362 561783979 /nfs/dbraw/zinc/78/39/79/561783979.db2.gz HBTAKNPQCLRELO-MUZHKWOHSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026384366 561783955 /nfs/dbraw/zinc/78/39/55/561783955.db2.gz HBTAKNPQCLRELO-JSWXEYCZSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026384370 561783982 /nfs/dbraw/zinc/78/39/82/561783982.db2.gz HBTAKNPQCLRELO-BEJSXWRTSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026384374 561783988 /nfs/dbraw/zinc/78/39/88/561783988.db2.gz HBTAKNPQCLRELO-ODTVBPJYSA-N 0 0 581.713 4.471 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000026384380 561783962 /nfs/dbraw/zinc/78/39/62/561783962.db2.gz RTBOVRLHCZUQJC-DYIKCSJPSA-N 0 0 561.723 4.144 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000026384384 561783970 /nfs/dbraw/zinc/78/39/70/561783970.db2.gz RTBOVRLHCZUQJC-NGDRWEMDSA-N 0 0 561.723 4.144 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000026384388 561784027 /nfs/dbraw/zinc/78/40/27/561784027.db2.gz RTBOVRLHCZUQJC-OIFRRMEBSA-N 0 0 561.723 4.144 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000026384392 561783974 /nfs/dbraw/zinc/78/39/74/561783974.db2.gz RTBOVRLHCZUQJC-DTXPUJKBSA-N 0 0 561.723 4.144 1 0 KIAFRN CCCc1nc(-n2ccc(C(=O)OCC)c2)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026384521 561783942 /nfs/dbraw/zinc/78/39/42/561783942.db2.gz LXQARQZXWFGCIG-UHFFFAOYSA-N 0 0 539.596 4.485 1 0 KIAFRN CSC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026384604 561784108 /nfs/dbraw/zinc/78/41/08/561784108.db2.gz NFJRCRRYYADAGX-AJIIGFCHSA-N 0 0 607.858 4.193 1 0 KIAFRN CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](CCC(=O)[O-])c3ccccc32)CC1 ZINC000026384771 561784105 /nfs/dbraw/zinc/78/41/05/561784105.db2.gz ZVIQIUDGNULUAU-ZEQKJWHPSA-N 0 0 519.686 4.144 1 0 KIAFRN CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](CCC(=O)[O-])c3ccccc32)CC1 ZINC000026384774 561784141 /nfs/dbraw/zinc/78/41/41/561784141.db2.gz ZVIQIUDGNULUAU-JYFHCDHNSA-N 0 0 519.686 4.144 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nc5ccccc5[nH]3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000026385328 561784266 /nfs/dbraw/zinc/78/42/66/561784266.db2.gz PFUKCYUTWLNDPF-ZAJAUZIHSA-N 0 0 515.522 4.102 1 0 KIAFRN CCCc1nc(-n2ccc(C(=O)OC)c2C)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026385660 561784303 /nfs/dbraw/zinc/78/43/03/561784303.db2.gz BNPMTXNFQOUMJI-UHFFFAOYSA-N 0 0 539.596 4.403 1 0 KIAFRN COc1cc(CNC(=S)N(O)C[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026386922 561784664 /nfs/dbraw/zinc/78/46/64/561784664.db2.gz HPZJNYWXJRUXGM-QFIPXVFZSA-N 0 0 565.758 4.197 1 0 KIAFRN COc1cc(CNC(=S)N(O)C[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O ZINC000026386926 561784679 /nfs/dbraw/zinc/78/46/79/561784679.db2.gz HPZJNYWXJRUXGM-JOCHJYFZSA-N 0 0 565.758 4.197 1 0 KIAFRN CCC1(CC)OC[C@@H]([C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 ZINC000026387446 561784838 /nfs/dbraw/zinc/78/48/38/561784838.db2.gz PIPNMGRIVITFEC-RTWAWAEBSA-N 0 0 533.521 4.299 1 0 KIAFRN CCC1(CC)OC[C@H]([C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1 ZINC000026387451 561784764 /nfs/dbraw/zinc/78/47/64/561784764.db2.gz PIPNMGRIVITFEC-NHCUHLMSSA-N 0 0 533.521 4.299 1 0 KIAFRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000026387914 561784970 /nfs/dbraw/zinc/78/49/70/561784970.db2.gz GHEXDRHJDZWBBA-QEUNAIBPSA-N 0 0 609.808 4.294 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000026388077 561784876 /nfs/dbraw/zinc/78/48/76/561784876.db2.gz PECOYPODONSFNP-IZZNHLLZSA-N 0 0 527.625 4.069 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000026388082 561785106 /nfs/dbraw/zinc/78/51/06/561785106.db2.gz PECOYPODONSFNP-UIOOFZCWSA-N 0 0 527.625 4.069 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000026388085 561785102 /nfs/dbraw/zinc/78/51/02/561785102.db2.gz PECOYPODONSFNP-CLJLJLNGSA-N 0 0 527.625 4.069 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000026388088 561785104 /nfs/dbraw/zinc/78/51/04/561785104.db2.gz PECOYPODONSFNP-FTJBHMTQSA-N 0 0 527.625 4.069 1 0 KIAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1cccnc1 ZINC000026388443 561785094 /nfs/dbraw/zinc/78/50/94/561785094.db2.gz GMAUXDNVKGDACQ-UHFFFAOYSA-N 0 0 568.586 4.293 1 0 KIAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccccn1 ZINC000026388447 561785112 /nfs/dbraw/zinc/78/51/12/561785112.db2.gz ZODMRNAOOZTKSY-UHFFFAOYSA-N 0 0 568.586 4.293 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026388567 561785110 /nfs/dbraw/zinc/78/51/10/561785110.db2.gz AYPZRWOPPIDVMT-NRFANRHFSA-N 0 0 553.722 4.328 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000026388571 561785079 /nfs/dbraw/zinc/78/50/79/561785079.db2.gz AYPZRWOPPIDVMT-OAQYLSRUSA-N 0 0 553.722 4.328 1 0 KIAFRN COc1cc2c(cc1OC)C(c1ccnc(-n3ccc4c(OCc5cccnc5)cccc4c3=O)c1)=N[C@H](CO)C2 ZINC000026388865 561785225 /nfs/dbraw/zinc/78/52/25/561785225.db2.gz VLKCAQJYGYQIJK-QHCPKHFHSA-N 0 0 548.599 4.131 1 0 KIAFRN Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000026389704 561785453 /nfs/dbraw/zinc/78/54/53/561785453.db2.gz BJVPJHIGBXMZDK-JOCHJYFZSA-N 0 0 535.732 4.189 1 0 KIAFRN Cc1ccc(C[C@H](COC(=O)C(C)(C)C)CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1C ZINC000026389708 561785449 /nfs/dbraw/zinc/78/54/49/561785449.db2.gz BJVPJHIGBXMZDK-QFIPXVFZSA-N 0 0 535.732 4.189 1 0 KIAFRN CN(C)C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026389845 561785488 /nfs/dbraw/zinc/78/54/88/561785488.db2.gz ZIUJIROLDTUSCB-FIRIVFDPSA-N 0 0 610.759 4.094 1 0 KIAFRN CN(C)C(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026389849 561785429 /nfs/dbraw/zinc/78/54/29/561785429.db2.gz ZIUJIROLDTUSCB-IOWSJCHKSA-N 0 0 610.759 4.094 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026389876 561785425 /nfs/dbraw/zinc/78/54/25/561785425.db2.gz JXHSIHZPZUGAKJ-QFIPXVFZSA-N 0 0 535.732 4.189 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C ZINC000026389880 561785445 /nfs/dbraw/zinc/78/54/45/561785445.db2.gz JXHSIHZPZUGAKJ-JOCHJYFZSA-N 0 0 535.732 4.189 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)[C@H](Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000026390155 561785507 /nfs/dbraw/zinc/78/55/07/561785507.db2.gz NNOFYWJFSHHUJW-SHXMWNRSSA-N 0 0 618.774 4.394 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026390447 561785727 /nfs/dbraw/zinc/78/57/27/561785727.db2.gz DFWWIDHDAIZSDT-GVCUJMLRSA-N 0 0 561.723 4.144 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026390451 561785725 /nfs/dbraw/zinc/78/57/25/561785725.db2.gz DFWWIDHDAIZSDT-ICGWNSLASA-N 0 0 561.723 4.144 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026390455 561785660 /nfs/dbraw/zinc/78/56/60/561785660.db2.gz DFWWIDHDAIZSDT-PLUSWFGESA-N 0 0 561.723 4.144 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026390459 561785689 /nfs/dbraw/zinc/78/56/89/561785689.db2.gz DFWWIDHDAIZSDT-KQZRPSOFSA-N 0 0 561.723 4.144 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)Nc3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000026391488 561785754 /nfs/dbraw/zinc/78/57/54/561785754.db2.gz FOOSQWWDSYDAEZ-LVEBQJTPSA-N 0 0 536.512 4.075 1 0 KIAFRN Cc1ccc(CCC[C@H](CC(=O)[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000026393089 561786315 /nfs/dbraw/zinc/78/63/15/561786315.db2.gz RGTVFBJQARSWHO-IZLXSDGUSA-N 0 0 543.749 4.092 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)COn1nnc2ccccc21 ZINC000026393242 561786268 /nfs/dbraw/zinc/78/62/68/561786268.db2.gz UWTBJSSMRGYAPT-CHQNGUEUSA-N 0 0 656.784 4.029 1 0 KIAFRN CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COn1nnc2ccccc21 ZINC000026393251 561786279 /nfs/dbraw/zinc/78/62/79/561786279.db2.gz UWTBJSSMRGYAPT-YPKYBTACSA-N 0 0 656.784 4.029 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026395556 561786765 /nfs/dbraw/zinc/78/67/65/561786765.db2.gz BMEKUXOGGFWZHX-WUNLWTINSA-N 0 0 547.696 4.274 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026395560 561786791 /nfs/dbraw/zinc/78/67/91/561786791.db2.gz BMEKUXOGGFWZHX-XHWIWGEHSA-N 0 0 547.696 4.274 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026395564 561786797 /nfs/dbraw/zinc/78/67/97/561786797.db2.gz BMEKUXOGGFWZHX-QXIHQKPUSA-N 0 0 547.696 4.274 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000026395568 561786780 /nfs/dbraw/zinc/78/67/80/561786780.db2.gz BMEKUXOGGFWZHX-QYDYLWNGSA-N 0 0 547.696 4.274 1 0 KIAFRN CCOc1nc2cccc(C(=O)OCOC(=O)CC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026395778 561786888 /nfs/dbraw/zinc/78/68/88/561786888.db2.gz LHOCWVFNTNDYBW-UHFFFAOYSA-N 0 0 526.553 4.398 1 0 KIAFRN CCOc1nc2cccc(C(=O)OCOC(C)=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026395782 561786903 /nfs/dbraw/zinc/78/69/03/561786903.db2.gz UEMQOOXUEIMWQP-UHFFFAOYSA-N 0 0 512.526 4.008 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395893 561786896 /nfs/dbraw/zinc/78/68/96/561786896.db2.gz UJANRKZKISPIBJ-GVCUJMLRSA-N 0 0 545.724 4.308 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395896 561786959 /nfs/dbraw/zinc/78/69/59/561786959.db2.gz UJANRKZKISPIBJ-ICGWNSLASA-N 0 0 545.724 4.308 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395900 561786977 /nfs/dbraw/zinc/78/69/77/561786977.db2.gz UJANRKZKISPIBJ-PLUSWFGESA-N 0 0 545.724 4.308 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395904 561786981 /nfs/dbraw/zinc/78/69/81/561786981.db2.gz UJANRKZKISPIBJ-KQZRPSOFSA-N 0 0 545.724 4.308 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395985 561786968 /nfs/dbraw/zinc/78/69/68/561786968.db2.gz YHTKRGDAFFBWEU-AATIFTITSA-N 0 0 511.707 4.111 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395988 561786969 /nfs/dbraw/zinc/78/69/69/561786969.db2.gz YHTKRGDAFFBWEU-KLMILLTLSA-N 0 0 511.707 4.111 1 0 KIAFRN CCCCNC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000026395992 561786937 /nfs/dbraw/zinc/78/69/37/561786937.db2.gz YHTKRGDAFFBWEU-PIENVQBSSA-N 0 0 511.707 4.111 1 0 KIAFRN COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)nc2c(=O)n1Cc1ccncc1 ZINC000026396917 561787271 /nfs/dbraw/zinc/78/72/71/561787271.db2.gz YGOCIAJTWBVJJV-UHFFFAOYSA-N 0 0 568.586 4.293 1 0 KIAFRN O=CN(O)[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2 ZINC000026398075 561787532 /nfs/dbraw/zinc/78/75/32/561787532.db2.gz HUVXWBYSMDRXQZ-QFIPXVFZSA-N 0 0 545.532 4.301 1 0 KIAFRN O=CN(O)[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2 ZINC000026398078 561787527 /nfs/dbraw/zinc/78/75/27/561787527.db2.gz HUVXWBYSMDRXQZ-JOCHJYFZSA-N 0 0 545.532 4.301 1 0 KIAFRN CCC[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)[C@H](O)CC[S@](=O)CC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026398196 561787606 /nfs/dbraw/zinc/78/76/06/561787606.db2.gz XYGYIBMZWDIBCG-GGIZYKPOSA-N 0 0 705.959 4.112 1 0 KIAFRN CCC[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)[C@H](O)CC[S@@](=O)CC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026398202 561787608 /nfs/dbraw/zinc/78/76/08/561787608.db2.gz XYGYIBMZWDIBCG-DVVOCRAGSA-N 0 0 705.959 4.112 1 0 KIAFRN CC(C)n1cnc2c1nc(N1CCCC[C@@H]1CCO)nc2NCc1cccc(I)c1 ZINC000026403093 561788931 /nfs/dbraw/zinc/78/89/31/561788931.db2.gz IVVPGZOWSNQTIN-GOSISDBHSA-N 0 0 520.419 4.365 1 0 KIAFRN CC(C)n1cnc2c1nc(N1CCCC[C@H]1CCO)nc2NCc1cccc(I)c1 ZINC000026403097 561788942 /nfs/dbraw/zinc/78/89/42/561788942.db2.gz IVVPGZOWSNQTIN-SFHVURJKSA-N 0 0 520.419 4.365 1 0 KIAFRN C[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1 ZINC000026404026 561789138 /nfs/dbraw/zinc/78/91/38/561789138.db2.gz FSNYDNKPAXZSDJ-HOFKKMOUSA-N 0 0 618.781 4.085 1 0 KIAFRN C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1 ZINC000026404029 561789321 /nfs/dbraw/zinc/78/93/21/561789321.db2.gz FSNYDNKPAXZSDJ-KCWPFWIISA-N 0 0 618.781 4.085 1 0 KIAFRN O=C(NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccc1Cl ZINC000026404743 561789744 /nfs/dbraw/zinc/78/97/44/561789744.db2.gz QHVMBMXNMSVJQX-QHCPKHFHSA-N 0 0 631.563 4.122 1 0 KIAFRN CCOC(=O)C1=C(COCc2cc(OC)nc(N)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026468689 561790142 /nfs/dbraw/zinc/79/01/42/561790142.db2.gz OKNAAYBOBRHJCJ-YFJJEWJYSA-N 0 0 537.400 4.382 1 0 KIAFRN CCOC(=O)C1=C(COCc2cc(OC)nc(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026468696 561790114 /nfs/dbraw/zinc/79/01/14/561790114.db2.gz OKNAAYBOBRHJCJ-VKQKAZQBSA-N 0 0 537.400 4.382 1 0 KIAFRN CO[C@@]1(NC(=O)Cc2ccc(-c3ccccc3)cc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21 ZINC000026469287 561790100 /nfs/dbraw/zinc/79/01/00/561790100.db2.gz SNGJNKYHUIWDTO-ZUBDYPCQSA-N 0 0 702.793 4.456 1 0 KIAFRN O=C(NCCNS(=O)(=O)c1ccc(-c2ccccn2)s1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(Cl)cccc1Cl ZINC000026469718 561790285 /nfs/dbraw/zinc/79/02/85/561790285.db2.gz UOEZEJSFVDKBQU-QFIPXVFZSA-N 0 0 631.563 4.122 1 0 KIAFRN CC(=O)NCc1cccc(-c2ccc(S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)s2)c1 ZINC000026469762 561790269 /nfs/dbraw/zinc/79/02/69/561790269.db2.gz XJCINKDLVZWFIJ-SANMLTNESA-N 0 0 701.654 4.363 1 0 KIAFRN CCOC(=O)C1=C(COC[C@@](C)(O)Cn2ccnc2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026470260 561790393 /nfs/dbraw/zinc/79/03/93/561790393.db2.gz LHHRCCLWJWZNCC-WCNVMEMSSA-N 0 0 538.428 4.449 1 0 KIAFRN CCOC(=O)C1=C(COC[C@@](C)(O)Cn2ccnc2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026470267 561790365 /nfs/dbraw/zinc/79/03/65/561790365.db2.gz LHHRCCLWJWZNCC-ZMIIFKPFSA-N 0 0 538.428 4.449 1 0 KIAFRN CCOC(=O)C1=C(COC[C@](C)(O)Cn2ccnc2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026470276 561790378 /nfs/dbraw/zinc/79/03/78/561790378.db2.gz LHHRCCLWJWZNCC-CRCOMQCVSA-N 0 0 538.428 4.449 1 0 KIAFRN CCOC(=O)C1=C(COC[C@](C)(O)Cn2ccnc2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026470283 561790438 /nfs/dbraw/zinc/79/04/38/561790438.db2.gz LHHRCCLWJWZNCC-OEJNIVKMSA-N 0 0 538.428 4.449 1 0 KIAFRN CCOC(=O)C1=C(COCc2nnc(N)s2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026470671 561790463 /nfs/dbraw/zinc/79/04/63/561790463.db2.gz IDDUPFNURPGBPF-TXCMAPRMSA-N 0 0 513.403 4.435 1 0 KIAFRN CCOC(=O)C1=C(COCc2nnc(N)s2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026470676 561790448 /nfs/dbraw/zinc/79/04/48/561790448.db2.gz IDDUPFNURPGBPF-HNOLQLOCSA-N 0 0 513.403 4.435 1 0 KIAFRN CCCc1nc(C)n2nc(SCC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026470820 561790431 /nfs/dbraw/zinc/79/04/31/561790431.db2.gz BEKNQDBPXBGALH-UHFFFAOYSA-N 0 0 528.642 4.478 1 0 KIAFRN CCOC(=O)C1=C(COC[C@@](C)(O)CNc2ncccn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026470835 561790391 /nfs/dbraw/zinc/79/03/91/561790391.db2.gz XRSZENRKOUDUNY-SHFUEOPISA-N 0 0 565.454 4.454 1 0 KIAFRN CCOC(=O)C1=C(COC[C@@](C)(O)CNc2ncccn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026470842 561790414 /nfs/dbraw/zinc/79/04/14/561790414.db2.gz XRSZENRKOUDUNY-XJNZMNIPSA-N 0 0 565.454 4.454 1 0 KIAFRN CCOC(=O)C1=C(COC[C@](C)(O)CNc2ncccn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026470850 561790473 /nfs/dbraw/zinc/79/04/73/561790473.db2.gz 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QYNFZZOONQJAIB-UHFFFAOYSA-N 0 0 530.650 4.417 1 0 KIAFRN CCCCc1nc(-c2cc(C(=O)OC)c[n+]([O-])c2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026748756 561819221 /nfs/dbraw/zinc/81/92/21/561819221.db2.gz JOKOXSDZXBGEIA-UHFFFAOYSA-N 0 0 509.570 4.208 1 0 KIAFRN Nc1nccc2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12 ZINC000026748884 561819363 /nfs/dbraw/zinc/81/93/63/561819363.db2.gz CKPLPYKNMZXMFH-NDEPHWFRSA-N 0 0 577.666 4.337 1 0 KIAFRN CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026749447 561819501 /nfs/dbraw/zinc/81/95/01/561819501.db2.gz LLCJOFBOVMWIBL-QKDODKLFSA-N 0 0 523.674 4.175 1 0 KIAFRN CC(=O)OC[C@@]1(CO)OC(=O)c2c1cccc2OCCCCCCCCCCCOc1cccc2c1C(=O)O[C@]2(CO)COC(C)=O ZINC000026749594 561819435 /nfs/dbraw/zinc/81/94/35/561819435.db2.gz MWTUXPWEMGTIAF-VSJLXWSYSA-N 0 0 656.725 4.498 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@@H]1O ZINC000026752929 561820139 /nfs/dbraw/zinc/82/01/39/561820139.db2.gz BXVIHKICSIIIDC-IRSSOGQRSA-N 0 0 560.691 4.343 1 0 KIAFRN COCCOC1CCN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)nn2)CC1 ZINC000026819546 561820869 /nfs/dbraw/zinc/82/08/69/561820869.db2.gz IKAOQCUXWLHTBZ-UHFFFAOYSA-N 0 0 536.434 4.125 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000026819897 561820918 /nfs/dbraw/zinc/82/09/18/561820918.db2.gz UBWLQXFVTNFBFT-RYTSNQFKSA-N 0 0 546.708 4.452 1 0 KIAFRN C/C(=C\c1csc(C)n1)[C@@H]1C[C@H](O)[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](CC(=O)O1)O2 ZINC000026819953 561820847 /nfs/dbraw/zinc/82/08/47/561820847.db2.gz MGQSWFAHNBMNNZ-RNERNZGZSA-N 0 0 507.693 4.478 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2OC[C@H]1O ZINC000026820123 561820867 /nfs/dbraw/zinc/82/08/67/561820867.db2.gz BXVIHKICSIIIDC-OROGXDDESA-N 0 0 560.691 4.343 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000026820576 561820966 /nfs/dbraw/zinc/82/09/66/561820966.db2.gz IXMOCJVKYIUCEJ-YXRRNMOASA-N 0 0 560.691 4.212 1 0 KIAFRN Cc1cccc(NC(=O)N[C@H](CS(=O)(=O)Cc2ccccc2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000026820740 561821154 /nfs/dbraw/zinc/82/11/54/561821154.db2.gz YGVMCMZWGQEBFU-HHHXNRCGSA-N 0 0 547.677 4.222 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000026820842 561821129 /nfs/dbraw/zinc/82/11/29/561821129.db2.gz KXLJTBAQNROGRE-SEFGFODJSA-N 0 0 510.675 4.152 1 0 KIAFRN CCOC(=O)[C@H](CC(C)C)N(C(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1 ZINC000026820872 561821127 /nfs/dbraw/zinc/82/11/27/561821127.db2.gz UMZWJBAJRVUGHT-MHZLTWQESA-N 0 0 563.680 4.179 1 0 KIAFRN CNC(=O)O[C@@]1(c2ccc(OC)cc2)OC(=O)C(c2ccc3c(c2)OCO3)=C1Cc1cc(OC)c(OC)c(OC)c1 ZINC000026822708 561821503 /nfs/dbraw/zinc/82/15/03/561821503.db2.gz OFDMTNIWJSEJHX-SSEXGKCCSA-N 0 0 563.559 4.212 1 0 KIAFRN CNC(=O)O[C@]1(c2ccc(OC)cc2)OC(=O)C(c2ccc3c(c2)OCO3)=C1Cc1cc(OC)c(OC)c(OC)c1 ZINC000026822713 561821495 /nfs/dbraw/zinc/82/14/95/561821495.db2.gz OFDMTNIWJSEJHX-PMERELPUSA-N 0 0 563.559 4.212 1 0 KIAFRN CCOC(=O)CNC(=O)O[C@@]1(c2ccc(OC)cc2)OC(=O)C(c2ccc3c(c2)OCO3)=C1Cc1cc(OC)c(OC)c(OC)c1 ZINC000026822718 561821457 /nfs/dbraw/zinc/82/14/57/561821457.db2.gz CJWHCEUECPKIGE-MGBGTMOVSA-N 0 0 635.622 4.145 1 0 in-vivo KIAFRN COc1ccccc1C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000026824180 561821619 /nfs/dbraw/zinc/82/16/19/561821619.db2.gz TXYUZUBLLXLHPL-TZIWHRDSSA-N 0 0 597.512 4.095 1 0 KIAFRN CCO[C@@H]1CN(c2ccc(-c3cc(-c4cccc(Br)c4)c4c(N)ncnc4n3)nn2)C[C@@H]1OCC ZINC000026824216 561821601 /nfs/dbraw/zinc/82/16/01/561821601.db2.gz GMASAALAZJGHIP-OYRHEFFESA-N 0 0 536.434 4.124 1 0 KIAFRN CC(=O)N1CCC2(CC1)[C@@H]1C(=O)N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)[C@H]1CN2C(=O)COCc1ccccc1 ZINC000026825176 561821851 /nfs/dbraw/zinc/82/18/51/561821851.db2.gz RVKBMGOBDMERLT-ZCYQVOJMSA-N 0 0 625.566 4.266 1 0 KIAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026826991 561822113 /nfs/dbraw/zinc/82/21/13/561822113.db2.gz ULCLWNYLBCRHKU-ABANCFTRSA-N 0 0 701.909 4.240 1 0 KIAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 ZINC000026827277 561822299 /nfs/dbraw/zinc/82/22/99/561822299.db2.gz DCQDUHWLKDMVNO-QRXXMQSMSA-N 0 0 707.872 4.005 1 0 KIAFRN CC(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026827737 561822256 /nfs/dbraw/zinc/82/22/56/561822256.db2.gz UYNUMQYFKIFKCA-SFTDATJTSA-N 0 0 567.486 4.367 1 0 KIAFRN COC(=O)[C@H](Cc1ccc(-c2cccs2)nc1)NC(=O)C1(NC(=O)[C@H](CC(C)C)SC(C)=O)CCCC1 ZINC000026827759 561822254 /nfs/dbraw/zinc/82/22/54/561822254.db2.gz JQGGKGPCDTUUGX-GMAHTHKFSA-N 0 0 545.727 4.134 1 0 KIAFRN Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000026831565 561823123 /nfs/dbraw/zinc/82/31/23/561823123.db2.gz HRFMJPIGMOWHLL-RUZDIDTESA-N 0 0 504.631 4.009 1 0 KIAFRN CCCC[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)NC(=O)[C@H](C(C)C)N1CCCNC1=O ZINC000026831812 561823105 /nfs/dbraw/zinc/82/31/05/561823105.db2.gz XSWGKSUFLHUCJR-KECWCRPSSA-N 0 0 594.797 4.276 1 0 KIAFRN COc1cc(O[C@H](C)c2cc[n+]([O-])cc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026833131 561823450 /nfs/dbraw/zinc/82/34/50/561823450.db2.gz CDEVBWPFXJVAJS-GOSISDBHSA-N 0 0 521.545 4.369 1 0 KIAFRN COC(=O)c1ccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2)cc1 ZINC000026834915 561823987 /nfs/dbraw/zinc/82/39/87/561823987.db2.gz NICZUYPQENTZJZ-VWLOTQADSA-N 0 0 601.578 4.247 1 0 KIAFRN COC(=O)c1ccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c2)cc1 ZINC000026834917 561823991 /nfs/dbraw/zinc/82/39/91/561823991.db2.gz NICZUYPQENTZJZ-RUZDIDTESA-N 0 0 601.578 4.247 1 0 KIAFRN Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 ZINC000026835209 561824074 /nfs/dbraw/zinc/82/40/74/561824074.db2.gz KZFUFLCXQLPQDB-MUUNZHRXSA-N 0 0 556.663 4.430 1 0 KIAFRN CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026835569 561824226 /nfs/dbraw/zinc/82/42/26/561824226.db2.gz SXMCNHGNMUQWRG-LOFFRUMASA-N 0 0 721.899 4.395 1 0 KIAFRN CC(C)[C@@H](NC(=O)Cn1cc(Cc2ccc(O)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026835708 561824270 /nfs/dbraw/zinc/82/42/70/561824270.db2.gz MBNAHZPFQZJIHK-XMMPIXPASA-N 0 0 559.541 4.166 1 0 KIAFRN CC(C)[C@H](NC(=O)Cn1cc(Cc2ccc(O)cc2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026835710 561824272 /nfs/dbraw/zinc/82/42/72/561824272.db2.gz MBNAHZPFQZJIHK-DEOSSOPVSA-N 0 0 559.541 4.166 1 0 KIAFRN CC(=O)Oc1cccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c2)c1 ZINC000026837112 561824690 /nfs/dbraw/zinc/82/46/90/561824690.db2.gz LLIPPYPYLGONNE-AREMUKBSSA-N 0 0 601.578 4.385 1 0 KIAFRN CC(=O)Oc1cccc(Cc2cc(NC(=O)OCc3ccccc3)c(=O)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c2)c1 ZINC000026837116 561824673 /nfs/dbraw/zinc/82/46/73/561824673.db2.gz LLIPPYPYLGONNE-SANMLTNESA-N 0 0 601.578 4.385 1 0 KIAFRN CC(C)[C@@H](NC(=O)Cn1cc(Cc2cccc(O)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026837118 561824705 /nfs/dbraw/zinc/82/47/05/561824705.db2.gz IAAGFSCQEJJDKR-XMMPIXPASA-N 0 0 559.541 4.166 1 0 KIAFRN CC(C)[C@H](NC(=O)Cn1cc(Cc2cccc(O)c2)cc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F ZINC000026837122 561824810 /nfs/dbraw/zinc/82/48/10/561824810.db2.gz IAAGFSCQEJJDKR-DEOSSOPVSA-N 0 0 559.541 4.166 1 0 KIAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N1CCCNC1=O ZINC000026837528 561824809 /nfs/dbraw/zinc/82/48/09/561824809.db2.gz GHRJLZLPJSUIDV-KECWCRPSSA-N 0 0 594.797 4.132 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)C ZINC000026837761 561824911 /nfs/dbraw/zinc/82/49/11/561824911.db2.gz XEUOUBOMTOILCG-LOFFRUMASA-N 0 0 736.914 4.036 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C ZINC000026837765 561824875 /nfs/dbraw/zinc/82/48/75/561824875.db2.gz SHXKZMZCHBAQLN-ABANCFTRSA-N 0 0 701.909 4.240 1 0 KIAFRN COc1ccccc1Cc1c(N)nc(SCCN2CCN(Cc3ccccc3C(F)(F)F)CC2)nc1N ZINC000026838483 561825054 /nfs/dbraw/zinc/82/50/54/561825054.db2.gz HOCMOZCFUYTBIC-UHFFFAOYSA-N 0 0 532.636 4.169 1 0 KIAFRN Cc1ccc(C[C@@H](CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1C ZINC000026838560 561825058 /nfs/dbraw/zinc/82/50/58/561825058.db2.gz OAABLIMKKHORTI-DEOSSOPVSA-N 0 0 539.723 4.355 1 0 KIAFRN Cc1ccc(C[C@H](CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1C ZINC000026838564 561825026 /nfs/dbraw/zinc/82/50/26/561825026.db2.gz 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CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCC(C)C ZINC000026964198 561829769 /nfs/dbraw/zinc/82/97/69/561829769.db2.gz UPGYMGTUYVNKAQ-OFEZKSIWSA-N 0 0 578.703 4.492 1 0 KIAFRN CCCCCS(=O)(=O)N(CCC)CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCCO2 ZINC000026965125 561829952 /nfs/dbraw/zinc/82/99/52/561829952.db2.gz VLMSIJGBYXQALB-ZPJFYFFZSA-N 0 0 588.723 4.260 1 0 KIAFRN CCCN(CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CC(C)C ZINC000026968173 561830229 /nfs/dbraw/zinc/83/02/29/561830229.db2.gz DLLJRVOHSIECEJ-ZFWHIUCFSA-N 0 0 564.676 4.102 1 0 KIAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1O[C@H](C)[C@@H](C)O1 ZINC000026973263 561830585 /nfs/dbraw/zinc/83/05/85/561830585.db2.gz WJTKWTNPJRXMJF-IVHKMSHMSA-N 0 0 532.678 4.243 1 0 KIAFRN CCCCS(=O)(=O)N(CCC)CC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000026974307 561830708 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CC(C)[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)ccc1-c1cccc(O)c1)C(=O)C(F)(F)F ZINC000026981146 561831363 /nfs/dbraw/zinc/83/13/63/561831363.db2.gz LSVUBTXFYRGRQP-QHCPKHFHSA-N 0 0 545.514 4.242 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCNC(=O)c1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026982444 561831489 /nfs/dbraw/zinc/83/14/89/561831489.db2.gz PFJMJBQWTLBHRB-JBOQNHBVSA-N 0 0 586.733 4.410 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCCN1C(=O)c2ccccc2C1=O)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026982847 561831504 /nfs/dbraw/zinc/83/15/04/561831504.db2.gz RDCAEKWUGPXPHR-JBOQNHBVSA-N 0 0 612.727 4.277 1 0 KIAFRN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[N@H+](C)CCc3ccccn3)c2=O)c1 ZINC000026984254 561831631 /nfs/dbraw/zinc/83/16/31/561831631.db2.gz GNENPVYUZQIQKL-FQEVSTJZSA-N 0 0 534.607 4.451 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+][C@H](CCNC(=O)c1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026984417 561831644 /nfs/dbraw/zinc/83/16/44/561831644.db2.gz 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Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)COC(=O)c2c(F)cccc2F)cc1 ZINC000027315221 561851388 /nfs/dbraw/zinc/85/13/88/561851388.db2.gz DWVKZMABYHMWKH-CLJLJLNGSA-N 0 0 586.657 4.120 1 0 KIAFRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)COC(=O)c2c(F)cccc2F)cc1 ZINC000027315226 561851471 /nfs/dbraw/zinc/85/14/71/561851471.db2.gz DWVKZMABYHMWKH-FTJBHMTQSA-N 0 0 586.657 4.120 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027316149 561851617 /nfs/dbraw/zinc/85/16/17/561851617.db2.gz XRBPLWQUFNMNSJ-HXUWFJFHSA-N 0 0 509.386 4.177 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000027316155 561851645 /nfs/dbraw/zinc/85/16/45/561851645.db2.gz XRBPLWQUFNMNSJ-FQEVSTJZSA-N 0 0 509.386 4.177 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl ZINC000027316708 561851784 /nfs/dbraw/zinc/85/17/84/561851784.db2.gz NKSITKXXFVOHPP-XUZZJYLKSA-N 0 0 652.572 4.276 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl ZINC000027316714 561851711 /nfs/dbraw/zinc/85/17/11/561851711.db2.gz NKSITKXXFVOHPP-URXFXBBRSA-N 0 0 652.572 4.276 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl ZINC000027316719 561851724 /nfs/dbraw/zinc/85/17/24/561851724.db2.gz NKSITKXXFVOHPP-ZJSXRUAMSA-N 0 0 652.572 4.276 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)COC(=O)c1c(Cl)ccc(OCCN2CCOCC2)c1Cl ZINC000027316725 561851773 /nfs/dbraw/zinc/85/17/73/561851773.db2.gz NKSITKXXFVOHPP-QPPBQGQZSA-N 0 0 652.572 4.276 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cc5ccccc5s4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027317186 561851935 /nfs/dbraw/zinc/85/19/35/561851935.db2.gz GHNAIWNFGIXSJT-UHFFFAOYSA-N 0 0 613.744 4.150 1 0 KIAFRN CC(C)C[C@@H]1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000027317252 561851921 /nfs/dbraw/zinc/85/19/21/561851921.db2.gz RSSKQQUKMAAQJL-AIUIFLDSSA-N 0 0 541.758 4.458 1 0 KIAFRN CC(C)C[C@H]1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000027317257 561851925 /nfs/dbraw/zinc/85/19/25/561851925.db2.gz RSSKQQUKMAAQJL-RQYFMHENSA-N 0 0 541.758 4.458 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CCCn3ccnc3)C1=O)C2 ZINC000027317796 561852088 /nfs/dbraw/zinc/85/20/88/561852088.db2.gz OHXUQLIGLCELSJ-UQXOEWSESA-N 0 0 593.794 4.042 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1cccnc1)C2 ZINC000027318875 561852196 /nfs/dbraw/zinc/85/21/96/561852196.db2.gz UXAUNHSXCRAYSY-SDDUWZMOSA-N 0 0 549.737 4.149 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccn1)C2 ZINC000027318880 561852289 /nfs/dbraw/zinc/85/22/89/561852289.db2.gz YGLPGRQCTMUUOY-XGJRVREISA-N 0 0 549.737 4.149 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1ccncc1)C2 ZINC000027320234 561852430 /nfs/dbraw/zinc/85/24/30/561852430.db2.gz PPFHOCOROALDFI-OBZNHSRCSA-N 0 0 507.700 4.316 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccncc1)C2 ZINC000027321413 561852712 /nfs/dbraw/zinc/85/27/12/561852712.db2.gz HLXXQCXRVPQYRE-SDDUWZMOSA-N 0 0 549.737 4.149 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)c1cccnc1)C2 ZINC000027322155 561852874 /nfs/dbraw/zinc/85/28/74/561852874.db2.gz UHAAABVBSFIWRT-OBZNHSRCSA-N 0 0 507.700 4.316 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)Cc1ccncc1)C2 ZINC000027322202 561852861 /nfs/dbraw/zinc/85/28/61/561852861.db2.gz VMHDOEZJJPNJJT-WHODAWOQSA-N 0 0 563.764 4.078 1 0 KIAFRN CC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(C(C)=O)c3)S2(=O)=O)c1 ZINC000027323467 561853100 /nfs/dbraw/zinc/85/31/00/561853100.db2.gz SSKLZXDOGDJZRC-NWJWHWDBSA-N 0 0 658.773 4.271 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C=Cc1c[nH]cn1)C2 ZINC000027323643 561853154 /nfs/dbraw/zinc/85/31/54/561853154.db2.gz FIYZNVKXTOGORQ-XCIVTMGESA-N 0 0 522.715 4.044 1 0 KIAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000027325601 561853450 /nfs/dbraw/zinc/85/34/50/561853450.db2.gz JFFBDCJEPWDUJE-ZGIBFIJWSA-N 0 0 589.689 4.434 1 0 KIAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000027325605 561853459 /nfs/dbraw/zinc/85/34/59/561853459.db2.gz JFFBDCJEPWDUJE-YTCPBCGMSA-N 0 0 589.689 4.434 1 0 KIAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000027325611 561853461 /nfs/dbraw/zinc/85/34/61/561853461.db2.gz WKNXHKNTWIOTFP-ZGIBFIJWSA-N 0 0 589.689 4.434 1 0 KIAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000027325614 561853427 /nfs/dbraw/zinc/85/34/27/561853427.db2.gz WKNXHKNTWIOTFP-YTCPBCGMSA-N 0 0 589.689 4.434 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1[nH]cnc1Br)C2 ZINC000027325809 561853604 /nfs/dbraw/zinc/85/36/04/561853604.db2.gz UFPGSTHWQHISPR-FPUALCIBSA-N 0 0 589.600 4.336 1 0 KIAFRN CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 ZINC000027325815 561853564 /nfs/dbraw/zinc/85/35/64/561853564.db2.gz SRWBFDABAOKZPN-ROZHPIASSA-N 0 0 538.758 4.308 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@@H](Cc3cccnc3)C1=O)C2 ZINC000027326490 561853747 /nfs/dbraw/zinc/85/37/47/561853747.db2.gz AQDYZKSTTFQUMN-MUGPPGNLSA-N 0 0 576.763 4.049 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@H](Cc3cccnc3)C1=O)C2 ZINC000027326493 561853762 /nfs/dbraw/zinc/85/37/62/561853762.db2.gz AQDYZKSTTFQUMN-QROPHJSOSA-N 0 0 576.763 4.049 1 0 KIAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ccc(C)nc43)c2C)cn1 ZINC000027327194 561853897 /nfs/dbraw/zinc/85/38/97/561853897.db2.gz PZOVCNKPBXMCDZ-FOWTUZBSSA-N 0 0 551.647 4.286 1 0 KIAFRN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 ZINC000027327993 561854043 /nfs/dbraw/zinc/85/40/43/561854043.db2.gz KZAXYDRLQGEYNI-ZZCZOIRSSA-N 0 0 515.654 4.350 1 0 KIAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)Cc1ccccc1)OC1C2CC3CC(C2)CC1C3 ZINC000027327997 561854057 /nfs/dbraw/zinc/85/40/57/561854057.db2.gz KZAXYDRLQGEYNI-OYRFPAPUSA-N 0 0 515.654 4.350 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccncc1)C2 ZINC000027328312 561854236 /nfs/dbraw/zinc/85/42/36/561854236.db2.gz DMLVYVRRSAAXED-MQRABVPWSA-N 0 0 521.727 4.245 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccn1)C2 ZINC000027328647 561854262 /nfs/dbraw/zinc/85/42/62/561854262.db2.gz GPHPGBKCXLZEMD-RHSVSJCASA-N 0 0 521.727 4.245 1 0 KIAFRN CC(C)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027330299 561854744 /nfs/dbraw/zinc/85/47/44/561854744.db2.gz SHLDBIUPMYLRAK-IOWSJCHKSA-N 0 0 590.724 4.357 1 0 KIAFRN CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027330302 561854723 /nfs/dbraw/zinc/85/47/23/561854723.db2.gz SHLDBIUPMYLRAK-CONSDPRKSA-N 0 0 590.724 4.357 1 0 KIAFRN CC(C)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027330305 561854725 /nfs/dbraw/zinc/85/47/25/561854725.db2.gz SHLDBIUPMYLRAK-FIRIVFDPSA-N 0 0 590.724 4.357 1 0 KIAFRN CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 ZINC000027330308 561854765 /nfs/dbraw/zinc/85/47/65/561854765.db2.gz SHLDBIUPMYLRAK-JSOSNVBQSA-N 0 0 590.724 4.357 1 0 KIAFRN CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccccc1 ZINC000027330314 561854718 /nfs/dbraw/zinc/85/47/18/561854718.db2.gz OSJGWTONJNKRHY-XFCANUNOSA-N 0 0 619.762 4.496 1 0 KIAFRN CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccccc1 ZINC000027330322 561854716 /nfs/dbraw/zinc/85/47/16/561854716.db2.gz OSJGWTONJNKRHY-XKKJXBDVSA-N 0 0 619.762 4.496 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000027405549 561855308 /nfs/dbraw/zinc/85/53/08/561855308.db2.gz VQYAUQQZKIBVFS-HZFUHODCSA-N 0 0 627.660 4.493 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000027405559 561855321 /nfs/dbraw/zinc/85/53/21/561855321.db2.gz VQYAUQQZKIBVFS-OZNIXHKMSA-N 0 0 627.660 4.493 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000027405567 561855442 /nfs/dbraw/zinc/85/54/42/561855442.db2.gz IAIIFNKYOCEUDZ-FDFHNCONSA-N 0 0 649.613 4.169 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000027405576 561855443 /nfs/dbraw/zinc/85/54/43/561855443.db2.gz IAIIFNKYOCEUDZ-BHIFYINESA-N 0 0 649.613 4.169 1 0 KIAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc43)c2C)cc1 ZINC000027405942 561855446 /nfs/dbraw/zinc/85/54/46/561855446.db2.gz NZURFTJEOPZBMH-FOWTUZBSSA-N 0 0 551.647 4.286 1 0 KIAFRN CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4ncc(C)nc43)c2C)cn1 ZINC000027406232 561855431 /nfs/dbraw/zinc/85/54/31/561855431.db2.gz FSZTYVUALDTBLQ-SDNWHVSQSA-N 0 0 552.635 4.280 1 0 KIAFRN C[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H]1N=C(c2ccc3c(c2)OC(F)(F)O3)c2ccccc2N(C)C1=O ZINC000027406699 561855624 /nfs/dbraw/zinc/85/56/24/561855624.db2.gz WADIXAKIDBSZAJ-LFPIHBKWSA-N 0 0 527.474 4.421 1 0 KIAFRN CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)CCCCCCCCC(=O)Nc3ccc4c(c3)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)C4)ccc2N1C ZINC000027409002 561855980 /nfs/dbraw/zinc/85/59/80/561855980.db2.gz PPGHRBWECGBPPP-BHBXGUOQSA-N 0 0 720.956 4.373 1 0 KIAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCc1ccccn1)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027411156 561856469 /nfs/dbraw/zinc/85/64/69/561856469.db2.gz JTNLUMBZCSDYLF-BHQPUTRGSA-N 0 0 745.943 4.408 1 0 KIAFRN Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCc1cccnc1)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027412393 561856556 /nfs/dbraw/zinc/85/65/56/561856556.db2.gz LZZACXZVPRKFLU-BHQPUTRGSA-N 0 0 745.943 4.408 1 0 KIAFRN CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000027413359 561856728 /nfs/dbraw/zinc/85/67/28/561856728.db2.gz BFOUDLDYLQQVEB-FRXPANAUSA-N 0 0 603.716 4.220 1 0 KIAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000027413369 561856692 /nfs/dbraw/zinc/85/66/92/561856692.db2.gz BFOUDLDYLQQVEB-OIFRRMEBSA-N 0 0 603.716 4.220 1 0 KIAFRN C[C@@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)[P@H](=O)C(Oc1ccccc1)Oc1ccccc1 ZINC000027415220 561856941 /nfs/dbraw/zinc/85/69/41/561856941.db2.gz FRJRHCWROCOJPN-NAYZPBBASA-N 0 0 644.750 4.380 1 0 KIAFRN C[C@H](NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C)[P@H](=O)C(Oc1ccccc1)Oc1ccccc1 ZINC000027415227 561856945 /nfs/dbraw/zinc/85/69/45/561856945.db2.gz FRJRHCWROCOJPN-MDQGVCTMSA-N 0 0 644.750 4.380 1 0 KIAFRN CCCNC(=O)CCC(=O)O[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C ZINC000027415775 561857052 /nfs/dbraw/zinc/85/70/52/561857052.db2.gz MDWQLZWCADXFAY-ZIINUWHCSA-N 0 0 696.911 4.223 1 0 KIAFRN CC(=O)CCN1c2ccccc2C(c2ccc3c(c2)OCO3)=N[C@H](NC(=O)[C@@H](C)Cc2ccc(F)c(F)c2)C1=O ZINC000027416777 561857156 /nfs/dbraw/zinc/85/71/56/561857156.db2.gz FEZIWNSYTANXFR-YMGMXPECSA-N 0 0 547.558 4.178 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2CN(Cc3ccccc3)CC[C@@H]12 ZINC000027418007 561857320 /nfs/dbraw/zinc/85/73/20/561857320.db2.gz CNIFEKSWYJQXLP-PKTNWEFCSA-N 0 0 531.701 4.416 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027424011 561858126 /nfs/dbraw/zinc/85/81/26/561858126.db2.gz ABCDOWZVJWRRMY-XZWHSSHBSA-N 0 0 580.685 4.489 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027424016 561858112 /nfs/dbraw/zinc/85/81/12/561858112.db2.gz ABCDOWZVJWRRMY-KYJUHHDHSA-N 0 0 580.685 4.489 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027424021 561858114 /nfs/dbraw/zinc/85/81/14/561858114.db2.gz ABCDOWZVJWRRMY-LOYHVIPDSA-N 0 0 580.685 4.489 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 ZINC000027424025 561858107 /nfs/dbraw/zinc/85/81/07/561858107.db2.gz ABCDOWZVJWRRMY-IHLOFXLRSA-N 0 0 580.685 4.489 1 0 KIAFRN O=C(NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)c1cc(Cl)ccc1Cl ZINC000027424139 561858111 /nfs/dbraw/zinc/85/81/11/561858111.db2.gz BLRRBOJBRJAHJK-INIZCTEOSA-N 0 0 515.390 4.180 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(CCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000027425737 561858379 /nfs/dbraw/zinc/85/83/79/561858379.db2.gz JCOLWPQJAFWTTF-PMERELPUSA-N 0 0 580.795 4.312 1 0 KIAFRN C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO ZINC000027428084 561858793 /nfs/dbraw/zinc/85/87/93/561858793.db2.gz HLDYSXHZRUOUJV-AXYHNHOLSA-N 0 0 554.709 4.023 1 0 KIAFRN C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO ZINC000027428089 561858763 /nfs/dbraw/zinc/85/87/63/561858763.db2.gz HLDYSXHZRUOUJV-OZAODHJPSA-N 0 0 554.709 4.023 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=S)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000027429047 561858953 /nfs/dbraw/zinc/85/89/53/561858953.db2.gz XCJKSJQOSBEHKV-ZNZIZOMTSA-N 0 0 575.735 4.270 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=S)N(Cc3ccccc3)C(=O)C[C@H]12 ZINC000027429057 561858941 /nfs/dbraw/zinc/85/89/41/561858941.db2.gz XCJKSJQOSBEHKV-KKUQBAQOSA-N 0 0 575.735 4.270 1 0 KIAFRN CCN(CC)CC(=O)OCCN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000027430003 561859036 /nfs/dbraw/zinc/85/90/36/561859036.db2.gz RSOKAKNJZRWVOW-GDLZYMKVSA-N 0 0 541.652 4.212 1 0 KIAFRN CCN(CC)CC(=O)OCCN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000027430008 561859092 /nfs/dbraw/zinc/85/90/92/561859092.db2.gz RSOKAKNJZRWVOW-LJAQVGFWSA-N 0 0 541.652 4.212 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)CN(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000027431997 561859543 /nfs/dbraw/zinc/85/95/43/561859543.db2.gz QQFASVMGGRACOC-NDEPHWFRSA-N 0 0 552.741 4.401 1 0 KIAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/[C@@H]2CCCC(=O)O2)C(C)C)c1 ZINC000027434678 561859831 /nfs/dbraw/zinc/85/98/31/561859831.db2.gz CUOWXKAKXZXIMJ-CLMBQHHLSA-N 0 0 603.760 4.253 1 0 KIAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/[C@H]2CCCC(=O)O2)C(C)C)c1 ZINC000027434683 561859849 /nfs/dbraw/zinc/85/98/49/561859849.db2.gz CUOWXKAKXZXIMJ-NODXOAJASA-N 0 0 603.760 4.253 1 0 KIAFRN CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cccc(Cl)c3Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000027435211 561860002 /nfs/dbraw/zinc/86/00/02/561860002.db2.gz NTMNREATHFIDFG-CSKARUKUSA-N 0 0 542.510 4.099 1 0 KIAFRN CC[C@@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1cccc(OC)c1)C(=O)OC(C)(C)C ZINC000027435716 561860098 /nfs/dbraw/zinc/86/00/98/561860098.db2.gz CMKWXVYCKPWWTC-FNWWCKPFSA-N 0 0 593.765 4.333 1 0 KIAFRN CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1cccc(OC)c1)C(=O)OC(C)(C)C ZINC000027435722 561860110 /nfs/dbraw/zinc/86/01/10/561860110.db2.gz CMKWXVYCKPWWTC-QMFGGXMDSA-N 0 0 593.765 4.333 1 0 KIAFRN CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1cccc(OC)c1)C(=O)OC(C)(C)C ZINC000027435727 561860105 /nfs/dbraw/zinc/86/01/05/561860105.db2.gz CMKWXVYCKPWWTC-PBNCGBIJSA-N 0 0 593.765 4.333 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1CC(=O)c1cccc(OC)c1)C(=O)OC(C)(C)C ZINC000027435732 561860091 /nfs/dbraw/zinc/86/00/91/561860091.db2.gz CMKWXVYCKPWWTC-ZQLNIIGMSA-N 0 0 593.765 4.333 1 0 KIAFRN COCCOCCOCCOCCOCCOc1cccc(CSc2nc3ccccc3[nH]2)c1C ZINC000027435943 561860129 /nfs/dbraw/zinc/86/01/29/561860129.db2.gz URBGNLMHOUDYNU-UHFFFAOYSA-N 0 0 504.649 4.255 1 0 KIAFRN COCCOCCOCCOCCOCCSc1cccc(CSc2nc3cc(CO)ccc3[nH]2)c1C ZINC000027436521 561860199 /nfs/dbraw/zinc/86/01/99/561860199.db2.gz IUUXLNUDSLIPQC-UHFFFAOYSA-N 0 0 550.743 4.461 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)/C=C(/Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000027438045 561860407 /nfs/dbraw/zinc/86/04/07/561860407.db2.gz ZUUUDGWTNPADLJ-JZKHDPDLSA-N 0 0 542.676 4.427 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)/C=C(/Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000027438050 561860417 /nfs/dbraw/zinc/86/04/17/561860417.db2.gz ZUUUDGWTNPADLJ-MDJRKZTCSA-N 0 0 542.676 4.427 1 0 KIAFRN COc1ccc2nc(N3C(=O)[C@@H](C)[C@@H]4[C@@H]3CCN4C(=O)[C@@H]3CCCN3C(=O)Nc3ccc(C(C)C)cc3)sc2n1 ZINC000027517533 561861349 /nfs/dbraw/zinc/86/13/49/561861349.db2.gz CHMFMINHSDVAEL-WLZNGNGHSA-N 0 0 562.696 4.472 1 0 KIAFRN NC(=O)COCCN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027517739 561861427 /nfs/dbraw/zinc/86/14/27/561861427.db2.gz AEGNWBZPYYNCRL-QFIPXVFZSA-N 0 0 533.513 4.102 1 0 KIAFRN NC(=O)COCCN1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027517740 561861606 /nfs/dbraw/zinc/86/16/06/561861606.db2.gz AEGNWBZPYYNCRL-JOCHJYFZSA-N 0 0 533.513 4.102 1 0 KIAFRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H](Cc1ccccc1)CC(O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000027518039 561861829 /nfs/dbraw/zinc/86/18/29/561861829.db2.gz NNOFYWJFSHHUJW-UVWVVCGNSA-N 0 0 618.774 4.394 1 0 KIAFRN CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2C(C)(C)C2(C)C)cc1 ZINC000027518439 561862278 /nfs/dbraw/zinc/86/22/78/561862278.db2.gz JYHIHYKJUURNQR-FDTGPBLFSA-N 0 0 522.690 4.463 1 0 KIAFRN C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)Nc3ccc(-c4ccc(Cl)cc4)cc3)[C@H]12 ZINC000027518459 561862243 /nfs/dbraw/zinc/86/22/43/561862243.db2.gz FDZJCEDCYMJMPU-YZEFDVQJSA-N 0 0 535.044 4.388 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000027518816 561862645 /nfs/dbraw/zinc/86/26/45/561862645.db2.gz IXMOCJVKYIUCEJ-HKBLMNGLSA-N 0 0 560.691 4.212 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000027518817 561862634 /nfs/dbraw/zinc/86/26/34/561862634.db2.gz IXMOCJVKYIUCEJ-VWBULWKWSA-N 0 0 560.691 4.212 1 0 KIAFRN CC(=O)O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027519061 561862874 /nfs/dbraw/zinc/86/28/74/561862874.db2.gz CHLPDEFWWDFEPA-HSZRJFAPSA-N 0 0 538.624 4.062 1 0 KIAFRN CC(=O)O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027519062 561862885 /nfs/dbraw/zinc/86/28/85/561862885.db2.gz CHLPDEFWWDFEPA-QHCPKHFHSA-N 0 0 538.624 4.062 1 0 KIAFRN CCCOc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)N3CC[C@H]4[C@H]3[C@H](C)C(=O)N4C(=O)C3CC3)cc2)cc1 ZINC000027519424 561863040 /nfs/dbraw/zinc/86/30/40/561863040.db2.gz UAUWCZVUUQCUBV-QGQKXLEHSA-N 0 0 543.664 4.131 1 0 KIAFRN CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3cccnc3s2)cc1 ZINC000027519549 561863139 /nfs/dbraw/zinc/86/31/39/561863139.db2.gz HAASVDOAMZVHJP-KEIZBESESA-N 0 0 532.670 4.463 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(C)cc2)cc1 ZINC000027519898 561863303 /nfs/dbraw/zinc/86/33/03/561863303.db2.gz KCXAFALIAVCQFE-WUFINQPMSA-N 0 0 524.683 4.053 1 0 KIAFRN CCc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 ZINC000027520072 561863377 /nfs/dbraw/zinc/86/33/77/561863377.db2.gz KSSPPCSVYCLKQN-URLMMPGGSA-N 0 0 538.710 4.307 1 0 KIAFRN Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC(=O)N1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000027520558 561863719 /nfs/dbraw/zinc/86/37/19/561863719.db2.gz HTVXIXXMHMAJFG-WJOKGBTCSA-N 0 0 548.732 4.130 1 0 KIAFRN Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CC(=O)N1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000027520561 561863652 /nfs/dbraw/zinc/86/36/52/561863652.db2.gz HTVXIXXMHMAJFG-HKBQPEDESA-N 0 0 548.732 4.130 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)C(=O)c1ccccc1 ZINC000027520672 561863716 /nfs/dbraw/zinc/86/37/16/561863716.db2.gz MSUCHQGWSGWMEP-ZIUUJSQJSA-N 0 0 558.675 4.147 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](C(=O)N[C@@H]1c2ccccc2C[C@@H]1O)C(=O)c1ccccc1 ZINC000027520675 561863663 /nfs/dbraw/zinc/86/36/63/561863663.db2.gz MSUCHQGWSGWMEP-MYHRABSESA-N 0 0 558.675 4.147 1 0 KIAFRN CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F ZINC000027520765 561863745 /nfs/dbraw/zinc/86/37/45/561863745.db2.gz NKYBNYWDYDMCHF-HBMCJLEFSA-N 0 0 619.628 4.295 1 0 KIAFRN CC(C)[C@H](NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C ZINC000027520767 561863768 /nfs/dbraw/zinc/86/37/68/561863768.db2.gz NKYBNYWDYDMCHF-ACRUOGEOSA-N 0 0 619.628 4.295 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)cc1 ZINC000027521643 561864206 /nfs/dbraw/zinc/86/42/06/561864206.db2.gz DXFRLXFMWCJFHO-WUFINQPMSA-N 0 0 524.683 4.053 1 0 KIAFRN CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(OC)c(COc3cccc4ccc(C)nc43)c2OC)cc1 ZINC000027522090 561864339 /nfs/dbraw/zinc/86/43/39/561864339.db2.gz GQOBRKVINZPHJP-LDADJPATSA-N 0 0 582.657 4.291 1 0 KIAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](CC(=O)N1CCN(C)CC1)Cc1ccccc1 ZINC000027522298 561864420 /nfs/dbraw/zinc/86/44/20/561864420.db2.gz KMZTXQXBVGHHBX-AJISXOSTSA-N 0 0 668.945 4.022 1 0 KIAFRN Cn1nnc(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4CN3)CC2)n1 ZINC000027522614 561864546 /nfs/dbraw/zinc/86/45/46/561864546.db2.gz HKMLEGOMDNGINA-FQLXRVMXSA-N 0 0 604.199 4.037 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000027523074 561864734 /nfs/dbraw/zinc/86/47/34/561864734.db2.gz ODNJAESPMSUTAB-WUFINQPMSA-N 0 0 540.682 4.241 1 0 KIAFRN Cn1nnnc1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027523142 561864862 /nfs/dbraw/zinc/86/48/62/561864862.db2.gz IJYUZXAPJHBRJR-FQLXRVMXSA-N 0 0 604.199 4.037 1 0 KIAFRN CC(C)(C)OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000027523315 561864976 /nfs/dbraw/zinc/86/49/76/561864976.db2.gz RYQQVELPCBULDJ-SZZWIKJPSA-N 0 0 573.694 4.496 1 0 KIAFRN CC(=O)O[C@@H]1[C@@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(C)=O)[C@H](OC(=O)c4cccnc4)[C@](C)(O)[C@]13OC2(C)C ZINC000027523326 561864998 /nfs/dbraw/zinc/86/49/98/561864998.db2.gz BILLVHCBRMUWHZ-MEGWBRACSA-N 0 0 715.752 4.260 1 0 KIAFRN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cc2nn[nH]n2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000027523472 561865095 /nfs/dbraw/zinc/86/50/95/561865095.db2.gz MOSMZJCDBAMZFP-VSGBNLITSA-N 0 0 590.172 4.027 1 0 KIAFRN Cc1ccc2cccc(OCc3c(C(=O)N(C)C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3C(=O)N(C)C)c2n1 ZINC000027523513 561865116 /nfs/dbraw/zinc/86/51/16/561865116.db2.gz HQDLMDUXNLTVKH-RCCKNPSSSA-N 0 0 678.790 4.020 1 0 KIAFRN CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 ZINC000027523560 561865128 /nfs/dbraw/zinc/86/51/28/561865128.db2.gz FDHQBDVFBBZMOU-ZRJLEYOISA-N 0 0 571.678 4.331 1 0 KIAFRN CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 ZINC000027523561 561865107 /nfs/dbraw/zinc/86/51/07/561865107.db2.gz FDHQBDVFBBZMOU-IEUSDUHPSA-N 0 0 571.678 4.331 1 0 KIAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N(C)CCc1ccccn1 ZINC000027523744 561865164 /nfs/dbraw/zinc/86/51/64/561865164.db2.gz DABVIILBWHYEAB-FBBBETDXSA-N 0 0 742.021 4.152 1 0 KIAFRN CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000027524051 561865390 /nfs/dbraw/zinc/86/53/90/561865390.db2.gz FDHQBDVFBBZMOU-DOEKTCAHSA-N 0 0 571.678 4.331 1 0 KIAFRN CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000027524052 561865418 /nfs/dbraw/zinc/86/54/18/561865418.db2.gz FDHQBDVFBBZMOU-URORMMCBSA-N 0 0 571.678 4.331 1 0 KIAFRN CC(=O)O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@H]3C[C@@]2(OC3(C)C)[C@@](C)(O)[C@H]1OC(=O)c1ccccc1 ZINC000027524346 561865721 /nfs/dbraw/zinc/86/57/21/561865721.db2.gz BRFDWBSAUKGYTR-XQTKOGISSA-N 0 0 715.752 4.260 1 0 KIAFRN CC(C)[C@@H](NC(=O)CN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C1Cc2ccccc2C1)C(=O)C(F)(F)F ZINC000027524377 561865726 /nfs/dbraw/zinc/86/57/26/561865726.db2.gz CZNYUGWWZNZONF-FTJBHMTQSA-N 0 0 575.628 4.206 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C1Cc2ccccc2C1 ZINC000027524378 561865719 /nfs/dbraw/zinc/86/57/19/561865719.db2.gz CZNYUGWWZNZONF-UIOOFZCWSA-N 0 0 575.628 4.206 1 0 KIAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)C[C@](C)(O)[C@@]13OC(C)(C)[C@@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(=O)c1ccccc1 ZINC000027524411 561865660 /nfs/dbraw/zinc/86/56/60/561865660.db2.gz IFGBTIWEAAHLBD-HFJCIVGOSA-N 0 0 715.752 4.262 1 0 KIAFRN CC(=O)O[C@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000027524770 561865773 /nfs/dbraw/zinc/86/57/73/561865773.db2.gz ZKNFRNMQEHOVJP-FBARKPCGSA-N 0 0 536.621 4.488 1 0 KIAFRN CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)NCCc1ccccn1)Cc1ccccc1 ZINC000027524837 561865931 /nfs/dbraw/zinc/86/59/31/561865931.db2.gz UEDBHZMPFGYFPJ-DIIQFSBDSA-N 0 0 691.939 4.396 1 0 KIAFRN CC(=O)O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]3C[C@@]2(OC3(C)C)[C@@](C)(O)[C@H]1OC(C)=O ZINC000027525921 561866139 /nfs/dbraw/zinc/86/61/39/561866139.db2.gz VSEGGASILQCUMU-XQTKOGISSA-N 0 0 715.752 4.260 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)c1nc2ccccc2s1 ZINC000027526210 561866121 /nfs/dbraw/zinc/86/61/21/561866121.db2.gz FXCYRCOUBJHXLN-JGHZWZBSSA-N 0 0 685.847 4.409 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)c1nc2ccccc2s1 ZINC000027526213 561866128 /nfs/dbraw/zinc/86/61/28/561866128.db2.gz FXCYRCOUBJHXLN-KQDVIXQYSA-N 0 0 685.847 4.409 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)[C@@H](O)c1nc2ccccc2s1 ZINC000027526216 561866127 /nfs/dbraw/zinc/86/61/27/561866127.db2.gz KMSNEHLBOXFQCL-WKUVLXMOSA-N 0 0 659.809 4.149 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)[C@H](O)c1nc2ccccc2s1 ZINC000027526218 561866133 /nfs/dbraw/zinc/86/61/33/561866133.db2.gz KMSNEHLBOXFQCL-KFZSMJGVSA-N 0 0 659.809 4.149 1 0 KIAFRN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526811 561866355 /nfs/dbraw/zinc/86/63/55/561866355.db2.gz RXBNQUXJGAHNLL-XMMPIXPASA-N 0 0 562.017 4.053 1 0 KIAFRN COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526813 561866386 /nfs/dbraw/zinc/86/63/86/561866386.db2.gz RXBNQUXJGAHNLL-DEOSSOPVSA-N 0 0 562.017 4.053 1 0 KIAFRN CC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 ZINC000027527180 561866650 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CCS(=O)(=O)C[C@H](CC1CCCCC1)[NH2+]Cc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])c(-c2ccccc2C)c1 ZINC000027527296 561866784 /nfs/dbraw/zinc/86/67/84/561866784.db2.gz ASWWGQSASVXGDY-SVEHJYQDSA-N 0 0 620.834 4.143 1 0 KIAFRN CC(=O)Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)N3CC2 ZINC000027527299 561866812 /nfs/dbraw/zinc/86/68/12/561866812.db2.gz DXBKTQMADALMPE-DEOSSOPVSA-N 0 0 522.392 4.030 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccn1 ZINC000027547346 561867049 /nfs/dbraw/zinc/86/70/49/561867049.db2.gz QZHUFCAPALTNSM-LRLYEUBCSA-N 0 0 645.886 4.417 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCC(C)C ZINC000027547455 561867109 /nfs/dbraw/zinc/86/71/09/561867109.db2.gz HFWXMIVGMOQFCK-FVCDFAAQSA-N 0 0 596.854 4.435 1 0 KIAFRN CCOC(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C1Cc2ccccc2C1 ZINC000027547605 561867225 /nfs/dbraw/zinc/86/72/25/561867225.db2.gz UVWQDIOAAZKQMN-YTMVLYRLSA-N 0 0 643.728 4.232 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C ZINC000027549248 561867670 /nfs/dbraw/zinc/86/76/70/561867670.db2.gz LQASYEQHOVVPDN-LOFFRUMASA-N 0 0 736.914 4.036 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000027549253 561867591 /nfs/dbraw/zinc/86/75/91/561867591.db2.gz LKQKRDOPJZEJQV-GFOUJFQOSA-N 0 0 686.854 4.326 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027549512 561867618 /nfs/dbraw/zinc/86/76/18/561867618.db2.gz ZVWSWYSIMOZTTG-YAQJXRFXSA-N 0 0 722.883 4.357 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000027550931 561867870 /nfs/dbraw/zinc/86/78/70/561867870.db2.gz RKNQPYFCXGJISA-RUZDIDTESA-N 0 0 606.746 4.468 1 0 KIAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027551240 561868090 /nfs/dbraw/zinc/86/80/90/561868090.db2.gz QXMXLXMWARQWNN-VWLOTQADSA-N 0 0 560.924 4.011 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C ZINC000027551513 561868048 /nfs/dbraw/zinc/86/80/48/561868048.db2.gz OLNDFNPDSIYQPX-LOFFRUMASA-N 0 0 736.914 4.036 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000027551525 561868092 /nfs/dbraw/zinc/86/80/92/561868092.db2.gz RKNQPYFCXGJISA-VWLOTQADSA-N 0 0 606.746 4.468 1 0 KIAFRN CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1 ZINC000027552609 561868521 /nfs/dbraw/zinc/86/85/21/561868521.db2.gz KWAAYDBLVZPALJ-UPIAJAFBSA-N 0 0 710.872 4.262 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027553093 561868578 /nfs/dbraw/zinc/86/85/78/561868578.db2.gz ZVWSWYSIMOZTTG-CXPJILFNSA-N 0 0 722.883 4.357 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027553097 561868653 /nfs/dbraw/zinc/86/86/53/561868653.db2.gz ZVWSWYSIMOZTTG-RLLYISHSSA-N 0 0 722.883 4.357 1 0 KIAFRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OS(C)(=O)=O ZINC000027553307 561868660 /nfs/dbraw/zinc/86/86/60/561868660.db2.gz BFZTXYLOHPXTMG-UHFFFAOYSA-N 0 0 549.609 4.123 1 0 KIAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027553842 561868770 /nfs/dbraw/zinc/86/87/70/561868770.db2.gz OZXMTUBGYPYLSK-UREOVUFLSA-N 0 0 749.953 4.300 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc32)CC1 ZINC000027554057 561869023 /nfs/dbraw/zinc/86/90/23/561869023.db2.gz HRHHNNZCUHMMDC-VWLOTQADSA-N 0 0 606.746 4.468 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccnc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000027554082 561868934 /nfs/dbraw/zinc/86/89/34/561868934.db2.gz JYWQWMDJPFLZQC-LOFFRUMASA-N 0 0 736.914 4.036 1 0 KIAFRN CCCn1cc(C[C@@H]2NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]3CCCCN3C(=O)[C@H]([C@H](C)CC)NC2=O)c2ccccc21 ZINC000027554177 561868964 /nfs/dbraw/zinc/86/89/64/561868964.db2.gz FXEYCWDKBFMJHM-JOMBJTJASA-N 0 0 635.850 4.419 1 0 KIAFRN CCOC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C ZINC000027554186 561868966 /nfs/dbraw/zinc/86/89/66/561868966.db2.gz ZDKMYUOKGFTFDK-MIPYOGIXSA-N 0 0 589.733 4.137 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1cccnc1)C(C)C ZINC000027554234 561869008 /nfs/dbraw/zinc/86/90/08/561869008.db2.gz LQASYEQHOVVPDN-OWIVKRMQSA-N 0 0 736.914 4.036 1 0 KIAFRN CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027554792 561869204 /nfs/dbraw/zinc/86/92/04/561869204.db2.gz FJIFQKRKEGFBRT-SYQUUIDJSA-N 0 0 602.776 4.099 1 0 KIAFRN COc1ccc([C@@H]2CC(=O)c3c(OC(C)=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1OC(C)=O ZINC000027555061 561869310 /nfs/dbraw/zinc/86/93/10/561869310.db2.gz RNMHQYXPVKLDTC-LJAQVGFWSA-N 0 0 692.718 4.001 1 0 KIAFRN COc1ccc([C@H]2CC(=O)c3c(OC(C)=O)cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1OC(C)=O ZINC000027555063 561869329 /nfs/dbraw/zinc/86/93/29/561869329.db2.gz RNMHQYXPVKLDTC-GDLZYMKVSA-N 0 0 692.718 4.001 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)NC[C@@H](O)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000027555145 561869368 /nfs/dbraw/zinc/86/93/68/561869368.db2.gz TYVQFJGXWDAGDX-HKPHLGJNSA-N 0 0 696.845 4.043 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)NC[C@H](O)c2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000027555147 561869312 /nfs/dbraw/zinc/86/93/12/561869312.db2.gz TYVQFJGXWDAGDX-RHAMUZCRSA-N 0 0 696.845 4.043 1 0 KIAFRN C[C@@H]1CC[C@@H](O)[C@H]1N1CC[C@@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000027556366 561869648 /nfs/dbraw/zinc/86/96/48/561869648.db2.gz FOAJMQHXXJTFOK-GNTRJKDVSA-N 0 0 536.713 4.494 1 0 KIAFRN CC(C)[C@@H](CO)N1CC[C@@](Cc2ccccc2)(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000027556369 561869645 /nfs/dbraw/zinc/86/96/45/561869645.db2.gz UVMLUUONUDDXMR-OVDFTCDZSA-N 0 0 524.702 4.352 1 0 KIAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4)c3cc2c(=O)[nH]1 ZINC000027556373 561869612 /nfs/dbraw/zinc/86/96/12/561869612.db2.gz XOVHUKZPMPURGC-UHFFFAOYSA-N 0 0 586.718 4.103 1 0 KIAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1 ZINC000027556437 561869584 /nfs/dbraw/zinc/86/95/84/561869584.db2.gz PMFZEMKJKBYRAG-UHFFFAOYSA-N 0 0 604.708 4.242 1 0 KIAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4cccc(OC)c4)c3cc2c(=O)[nH]1 ZINC000027556439 561869635 /nfs/dbraw/zinc/86/96/35/561869635.db2.gz MPCOPZZTNXFDBT-UHFFFAOYSA-N 0 0 616.744 4.112 1 0 KIAFRN CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C ZINC000027556997 561869708 /nfs/dbraw/zinc/86/97/08/561869708.db2.gz PHZWHNQZKAIRFH-HHHXNRCGSA-N 0 0 634.663 4.421 1 0 KIAFRN CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C ZINC000027556999 561869776 /nfs/dbraw/zinc/86/97/76/561869776.db2.gz PHZWHNQZKAIRFH-MHZLTWQESA-N 0 0 634.663 4.421 1 0 KIAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4ccccc4OC)c3cc2c(=O)[nH]1 ZINC000027557167 561869736 /nfs/dbraw/zinc/86/97/36/561869736.db2.gz YPILMKPHRIMVNF-UHFFFAOYSA-N 0 0 616.744 4.112 1 0 KIAFRN CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2cc3ncn(Cc4cccc(F)c4)c3cc2c(=O)[nH]1 ZINC000027557794 561870033 /nfs/dbraw/zinc/87/00/33/561870033.db2.gz YZNZHLMDAWPVNW-UHFFFAOYSA-N 0 0 604.708 4.242 1 0 KIAFRN CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])Oc1ccccc1 ZINC000027558056 561870037 /nfs/dbraw/zinc/87/00/37/561870037.db2.gz UWJVDOOSSQISRC-VWLOTQADSA-N 0 0 510.527 4.146 1 0 KIAFRN COCCCCc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027559706 561870514 /nfs/dbraw/zinc/87/05/14/561870514.db2.gz UUPFLHVHHPLDDB-QGZVFWFLSA-N 0 0 611.214 4.317 1 0 KIAFRN COCCCCc1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027559708 561870515 /nfs/dbraw/zinc/87/05/15/561870515.db2.gz UUPFLHVHHPLDDB-KRWDZBQOSA-N 0 0 611.214 4.317 1 0 KIAFRN CC(C)(C)C(=O)c1ccc(C(=O)OCC(CO)(CO)COC(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027560253 561870561 /nfs/dbraw/zinc/87/05/61/561870561.db2.gz RGMYXMWVMLPCRD-UHFFFAOYSA-N 0 0 512.599 4.129 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027561976 561870952 /nfs/dbraw/zinc/87/09/52/561870952.db2.gz KLTAHAGHSUJFOV-WZXFIOQESA-N 0 0 669.892 4.082 1 0 KIAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(CCCCCO)c2)c(I)c1)C(=O)[O-] ZINC000027562186 561870864 /nfs/dbraw/zinc/87/08/64/561870864.db2.gz WSXUNMORVBQKHX-KRWDZBQOSA-N 0 0 611.214 4.053 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(CCCCCO)c2)c(I)c1)C(=O)[O-] ZINC000027562189 561870937 /nfs/dbraw/zinc/87/09/37/561870937.db2.gz WSXUNMORVBQKHX-QGZVFWFLSA-N 0 0 611.214 4.053 1 0 KIAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H](N)c1ccccc1)CC2 ZINC000027562244 561870904 /nfs/dbraw/zinc/87/09/04/561870904.db2.gz DCDXTMCBYGXOBW-NBGIEHNGSA-N 0 0 506.624 4.265 1 0 KIAFRN CCOC(=O)c1c(CCCn2cncn2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027562364 561871001 /nfs/dbraw/zinc/87/10/01/561871001.db2.gz IQXVFYQPYWMOKK-UHFFFAOYSA-N 0 0 506.559 4.337 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3cc(F)ccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027617493 561872140 /nfs/dbraw/zinc/87/21/40/561872140.db2.gz UBDJNLDVQBFRGZ-GZQRKPJDSA-N 0 0 670.826 4.357 1 0 KIAFRN CCOC(=O)c1c(C[S@@](=O)c2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027617582 561872174 /nfs/dbraw/zinc/87/21/74/561872174.db2.gz YZUSMNHHIZSLKG-LHEWISCISA-N 0 0 539.610 4.154 1 0 KIAFRN CCOC(=O)c1c(C[S@](=O)c2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027617588 561872128 /nfs/dbraw/zinc/87/21/28/561872128.db2.gz YZUSMNHHIZSLKG-KXQOOQHDSA-N 0 0 539.610 4.154 1 0 KIAFRN O=C(CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(-c3cccs3)cc2)S1(=O)=O)Nc1nccs1 ZINC000027618076 561872163 /nfs/dbraw/zinc/87/21/63/561872163.db2.gz VJIXURHCUSPWQO-KMYPOQQFSA-N 0 0 706.868 4.490 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CCCCC1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027618678 561872129 /nfs/dbraw/zinc/87/21/29/561872129.db2.gz JTFXMDCTTTWSBN-GUKBDPGMSA-N 0 0 654.296 4.248 1 0 KIAFRN CCCc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027618856 561872306 /nfs/dbraw/zinc/87/23/06/561872306.db2.gz HQDCFDCPNACSEV-OAHLLOKOSA-N 0 0 567.161 4.301 1 0 KIAFRN CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000027620300 561872399 /nfs/dbraw/zinc/87/23/99/561872399.db2.gz HYKIHSUQAOYSDI-VDVKDMFPSA-N 0 0 549.778 4.195 1 0 KIAFRN O=C([O-])C1CC[NH+](C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027620848 561872566 /nfs/dbraw/zinc/87/25/66/561872566.db2.gz KKYGPFJNUCFSFY-SANMLTNESA-N 0 0 508.490 4.135 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(Cl)c2)c(I)c1)C(=O)[O-] ZINC000027621460 561872535 /nfs/dbraw/zinc/87/25/35/561872535.db2.gz OCOJMGAXFLSBDU-GFCCVEGCSA-N 0 0 559.525 4.002 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CP1(=O)OCCCO1 ZINC000027621550 561872509 /nfs/dbraw/zinc/87/25/09/561872509.db2.gz CIJKARFXFYWWKM-DZUOILHNSA-N 0 0 675.764 4.019 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(Br)c2)c(I)c1)C(=O)[O-] ZINC000027622486 561872667 /nfs/dbraw/zinc/87/26/67/561872667.db2.gz VZSBFDREVUPFLX-GFCCVEGCSA-N 0 0 603.976 4.111 1 0 KIAFRN CCO[C@@H](CN1CCN(S(=O)(=O)c2ccc3ncnc(N(C)c4ccccc4)c3c2)CC1)c1ccccc1 ZINC000027623740 561872758 /nfs/dbraw/zinc/87/27/58/561872758.db2.gz MBRKOIZQTQAUQA-NDEPHWFRSA-N 0 0 531.682 4.482 1 0 KIAFRN CCO[C@H](CN1CCN(S(=O)(=O)c2ccc3ncnc(N(C)c4ccccc4)c3c2)CC1)c1ccccc1 ZINC000027623744 561872773 /nfs/dbraw/zinc/87/27/73/561872773.db2.gz MBRKOIZQTQAUQA-MUUNZHRXSA-N 0 0 531.682 4.482 1 0 KIAFRN COCC/C=C/c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027624636 561872961 /nfs/dbraw/zinc/87/29/61/561872961.db2.gz GFMOIWIIWFQNEC-NKEDHYFDSA-N 0 0 609.198 4.398 1 0 KIAFRN COCC/C=C/c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027624642 561872957 /nfs/dbraw/zinc/87/29/57/561872957.db2.gz GFMOIWIIWFQNEC-WVMJFEGXSA-N 0 0 609.198 4.398 1 0 KIAFRN CC(C)SC[C@H](O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000027624845 561873084 /nfs/dbraw/zinc/87/30/84/561873084.db2.gz VOFAPLZQUCFEQV-LJWNLINESA-N 0 0 615.841 4.141 1 0 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Cc1cncc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027708464 561879208 /nfs/dbraw/zinc/87/92/08/561879208.db2.gz CVKYRMYVCQQBND-OZFLXDGESA-N 0 0 681.838 4.362 1 0 KIAFRN Cc1cnc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027708485 561879168 /nfs/dbraw/zinc/87/91/68/561879168.db2.gz ZDQICIPBRYTCIF-KNYYLJOQSA-N 0 0 668.795 4.447 1 0 KIAFRN Cc1cnc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027708490 561879194 /nfs/dbraw/zinc/87/91/94/561879194.db2.gz ZDQICIPBRYTCIF-DYTOPAQESA-N 0 0 668.795 4.447 1 0 KIAFRN Cc1cnc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027708941 561879315 /nfs/dbraw/zinc/87/93/15/561879315.db2.gz NFNMKXPLSKDTKL-KNYYLJOQSA-N 0 0 668.795 4.447 1 0 KIAFRN Cc1cnc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)cn1 ZINC000027708946 561879312 /nfs/dbraw/zinc/87/93/12/561879312.db2.gz NFNMKXPLSKDTKL-DYTOPAQESA-N 0 0 668.795 4.447 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1ccc(N)nc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027709404 561879395 /nfs/dbraw/zinc/87/93/95/561879395.db2.gz AYLFVIBKBVRJLU-UQJYGFKOSA-N 0 0 668.795 4.326 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccc(N)nc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027709410 561879430 /nfs/dbraw/zinc/87/94/30/561879430.db2.gz AYLFVIBKBVRJLU-SUGCFTRWSA-N 0 0 668.795 4.326 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1ccc(N)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027710134 561879522 /nfs/dbraw/zinc/87/95/22/561879522.db2.gz SXTIXEIZCBDGJE-GZXHTMMISA-N 0 0 668.795 4.326 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccc(N)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027710139 561879556 /nfs/dbraw/zinc/87/95/56/561879556.db2.gz SXTIXEIZCBDGJE-CUPIEXAXSA-N 0 0 668.795 4.326 1 0 KIAFRN CC(C)[C@@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1 ZINC000027710305 561879527 /nfs/dbraw/zinc/87/95/27/561879527.db2.gz INNKYOJPFHTURR-GZXHTMMISA-N 0 0 667.811 4.054 1 0 KIAFRN CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1 ZINC000027710310 561879557 /nfs/dbraw/zinc/87/95/57/561879557.db2.gz INNKYOJPFHTURR-CUPIEXAXSA-N 0 0 667.811 4.054 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1 ZINC000027710314 561879535 /nfs/dbraw/zinc/87/95/35/561879535.db2.gz WBZOUQAIUNZBIY-ZWDYZTTJSA-N 0 0 654.768 4.139 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1 ZINC000027710319 561879554 /nfs/dbraw/zinc/87/95/54/561879554.db2.gz WBZOUQAIUNZBIY-YRCZKMHPSA-N 0 0 654.768 4.139 1 0 KIAFRN CC(C)[C@@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1 ZINC000027710590 561879510 /nfs/dbraw/zinc/87/95/10/561879510.db2.gz SOZYOTAORRHNJJ-GZXHTMMISA-N 0 0 667.811 4.054 1 0 KIAFRN CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncnc1 ZINC000027710595 561879507 /nfs/dbraw/zinc/87/95/07/561879507.db2.gz SOZYOTAORRHNJJ-CUPIEXAXSA-N 0 0 667.811 4.054 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1cnco1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027711139 561879663 /nfs/dbraw/zinc/87/96/63/561879663.db2.gz BKNLXIUKCSFQBX-BNAYGLTLSA-N 0 0 643.741 4.337 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1cnco1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027711144 561879672 /nfs/dbraw/zinc/87/96/72/561879672.db2.gz BKNLXIUKCSFQBX-MCEBTLFFSA-N 0 0 643.741 4.337 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027711162 561879595 /nfs/dbraw/zinc/87/95/95/561879595.db2.gz BSLRJBLSEOQXKG-DMBLRCPMSA-N 0 0 654.768 4.139 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027711167 561879626 /nfs/dbraw/zinc/87/96/26/561879626.db2.gz BSLRJBLSEOQXKG-BBXFGWPUSA-N 0 0 654.768 4.139 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1cnco1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027711599 561879781 /nfs/dbraw/zinc/87/97/81/561879781.db2.gz FTHSWMJRJFIQII-BNAYGLTLSA-N 0 0 643.741 4.337 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1cnco1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027711604 561879791 /nfs/dbraw/zinc/87/97/91/561879791.db2.gz FTHSWMJRJFIQII-MCEBTLFFSA-N 0 0 643.741 4.337 1 0 KIAFRN CC(C)[C@@H](NC(=O)OCc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027712716 561879859 /nfs/dbraw/zinc/87/98/59/561879859.db2.gz QYMRDXRVBUCQAP-DMBLRCPMSA-N 0 0 654.768 4.139 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 ZINC000027712721 561879857 /nfs/dbraw/zinc/87/98/57/561879857.db2.gz QYMRDXRVBUCQAP-BBXFGWPUSA-N 0 0 654.768 4.139 1 0 KIAFRN Cc1cncc(COC(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027713794 561880046 /nfs/dbraw/zinc/88/00/46/561880046.db2.gz LZMXDPVSVPTYCL-KNYYLJOQSA-N 0 0 668.795 4.447 1 0 KIAFRN Cc1cncc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027713800 561879992 /nfs/dbraw/zinc/87/99/92/561879992.db2.gz LZMXDPVSVPTYCL-DYTOPAQESA-N 0 0 668.795 4.447 1 0 KIAFRN COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c3ncnc4OC)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000027713894 561880000 /nfs/dbraw/zinc/88/00/00/561880000.db2.gz JPEYYRBOIQJKDD-NFFKMHHLSA-N 0 0 684.658 4.066 1 0 KIAFRN COc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000027713901 561879982 /nfs/dbraw/zinc/87/99/82/561879982.db2.gz WSCAFXARAHJOHP-JAVQUFKRSA-N 0 0 594.580 4.041 1 0 KIAFRN Cc1cncc(CN(C)C(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027718090 561880401 /nfs/dbraw/zinc/88/04/01/561880401.db2.gz IOBFXFKMVBUCCY-HPSGNIKNSA-N 0 0 681.838 4.362 1 0 KIAFRN Cc1cncc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cccnc2)C(C)C)n1 ZINC000027718098 561880394 /nfs/dbraw/zinc/88/03/94/561880394.db2.gz IOBFXFKMVBUCCY-OZFLXDGESA-N 0 0 681.838 4.362 1 0 KIAFRN C[C@@H](NC(=O)c1ccsc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027721932 561880605 /nfs/dbraw/zinc/88/06/05/561880605.db2.gz KKGIXXSEDMOFHD-HXUWFJFHSA-N 0 0 563.655 4.336 1 0 KIAFRN COC(=O)c1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc(C(=O)OC)c(O)c3)cc2)cc1O ZINC000027723031 561880781 /nfs/dbraw/zinc/88/07/81/561880781.db2.gz ILOGGTQTKZAHRL-UHFFFAOYSA-N 0 0 526.596 4.289 1 0 KIAFRN CC(C)[C@@H](NCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1Cc2ccccc2C1)C(=O)C(F)(F)F ZINC000027724384 561880815 /nfs/dbraw/zinc/88/08/15/561880815.db2.gz OZAZAELQXITESY-YADHBBJMSA-N 0 0 527.628 4.277 1 0 KIAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN[C@H](C(=O)C(F)(F)F)C(C)C)C1Cc2ccccc2C1 ZINC000027724390 561880835 /nfs/dbraw/zinc/88/08/35/561880835.db2.gz OZAZAELQXITESY-VXKWHMMOSA-N 0 0 527.628 4.277 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000027725428 561880847 /nfs/dbraw/zinc/88/08/47/561880847.db2.gz IKRCWAVITYKYTF-SGNDLWITSA-N 0 0 561.601 4.163 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C ZINC000027725440 561880817 /nfs/dbraw/zinc/88/08/17/561880817.db2.gz IKRCWAVITYKYTF-HJOGWXRNSA-N 0 0 561.601 4.163 1 0 KIAFRN COC(=O)c1ccc(NC(=S)Nc2cccc(NC(=S)Nc3ccc(C(=O)OC)c(O)c3)c2)cc1O ZINC000027727753 561881033 /nfs/dbraw/zinc/88/10/33/561881033.db2.gz PBRSQKSHODBQHQ-UHFFFAOYSA-N 0 0 526.596 4.289 1 0 KIAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000027732930 561881421 /nfs/dbraw/zinc/88/14/21/561881421.db2.gz UAZHKINNICKCCP-YZYNAAERSA-N 0 0 515.610 4.161 1 0 KIAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N[C@H](C)c1ccccc1 ZINC000027732937 561881467 /nfs/dbraw/zinc/88/14/67/561881467.db2.gz UAZHKINNICKCCP-BAEUJYSMSA-N 0 0 515.610 4.161 1 0 KIAFRN C[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027733254 561881546 /nfs/dbraw/zinc/88/15/46/561881546.db2.gz GOPBYLBBVXWEQA-OAQYLSRUSA-N 0 0 581.664 4.479 1 0 KIAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21 ZINC000027733532 561881559 /nfs/dbraw/zinc/88/15/59/561881559.db2.gz QQTWJGZZLJPVHO-FCEKVYKBSA-N 0 0 541.648 4.477 1 0 KIAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N[C@H]1CCCc2ccccc21 ZINC000027733540 561881568 /nfs/dbraw/zinc/88/15/68/561881568.db2.gz QQTWJGZZLJPVHO-IARZGTGTSA-N 0 0 541.648 4.477 1 0 KIAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N1CCC[C@@H]1c1cccnc1 ZINC000027733846 561881592 /nfs/dbraw/zinc/88/15/92/561881592.db2.gz GSCAICSUTUHIKD-KWXIBIRDSA-N 0 0 542.636 4.042 1 0 KIAFRN CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N1CCC[C@H]1c1cccnc1 ZINC000027733855 561881552 /nfs/dbraw/zinc/88/15/52/561881552.db2.gz GSCAICSUTUHIKD-PVHODMMVSA-N 0 0 542.636 4.042 1 0 KIAFRN C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734711 561881730 /nfs/dbraw/zinc/88/17/30/561881730.db2.gz JDMGMTPOIHYIKK-OAQYLSRUSA-N 0 0 581.664 4.479 1 0 KIAFRN C[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734792 561881773 /nfs/dbraw/zinc/88/17/73/561881773.db2.gz LSLKPVQOFVGVSL-HSZRJFAPSA-N 0 0 606.743 4.406 1 0 KIAFRN CCOC(=O)CSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000027734871 561881786 /nfs/dbraw/zinc/88/17/86/561881786.db2.gz IDZBCNLCPPWHLT-SVBPBHIXSA-N 0 0 562.688 4.117 1 0 KIAFRN C[C@@H](NC(=O)c1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735177 561881739 /nfs/dbraw/zinc/88/17/39/561881739.db2.gz BAOSTAGMWRQRGC-OAQYLSRUSA-N 0 0 579.673 4.046 1 0 KIAFRN C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735234 561881754 /nfs/dbraw/zinc/88/17/54/561881754.db2.gz JCVAZIMPWSIVFG-OAQYLSRUSA-N 0 0 581.664 4.479 1 0 KIAFRN CC(C)CC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735380 561881685 /nfs/dbraw/zinc/88/16/85/561881685.db2.gz NIBAIPSQQLCTGH-OAQYLSRUSA-N 0 0 543.684 4.072 1 0 KIAFRN COc1cccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)c1 ZINC000027735614 561881847 /nfs/dbraw/zinc/88/18/47/561881847.db2.gz NUJZKQGZZSYKDJ-JOCHJYFZSA-N 0 0 593.700 4.349 1 0 KIAFRN COc1ccccc1C(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735628 561881883 /nfs/dbraw/zinc/88/18/83/561881883.db2.gz GATNKHOEINGPKG-JOCHJYFZSA-N 0 0 593.700 4.349 1 0 KIAFRN C[C@@H](NC(=O)c1cccc(N(C)C)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027735809 561881887 /nfs/dbraw/zinc/88/18/87/561881887.db2.gz BYZDFNOLEVZVON-HSZRJFAPSA-N 0 0 606.743 4.406 1 0 KIAFRN COc1ccc(CCN(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1OC ZINC000027735855 561881813 /nfs/dbraw/zinc/88/18/13/561881813.db2.gz JORCZFGTWLRNKD-SVBPBHIXSA-N 0 0 623.669 4.298 1 0 KIAFRN COc1ccc(CCN(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1OC ZINC000027735860 561881866 /nfs/dbraw/zinc/88/18/66/561881866.db2.gz JORCZFGTWLRNKD-SXOMAYOGSA-N 0 0 623.669 4.298 1 0 KIAFRN C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027736350 561881858 /nfs/dbraw/zinc/88/18/58/561881858.db2.gz DLLYJIKYBNYCMK-JOCHJYFZSA-N 0 0 557.626 4.274 1 0 KIAFRN CC(C)C[C@@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N[C@@H](C)c1ccccc1 ZINC000027737522 561882065 /nfs/dbraw/zinc/88/20/65/561882065.db2.gz UAZHKINNICKCCP-AFWDCEBSSA-N 0 0 515.610 4.161 1 0 KIAFRN CC(C)C[C@@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)N[C@H](C)c1ccccc1 ZINC000027737527 561882182 /nfs/dbraw/zinc/88/21/82/561882182.db2.gz UAZHKINNICKCCP-WGURPXDASA-N 0 0 515.610 4.161 1 0 KIAFRN CCCCc1ccc(CN(C(C)C)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027737896 561882212 /nfs/dbraw/zinc/88/22/12/561882212.db2.gz GJTNHLFNVUXTQU-UHFFFAOYSA-N 0 0 534.686 4.256 1 0 KIAFRN CC(C)CCC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027738248 561882124 /nfs/dbraw/zinc/88/21/24/561882124.db2.gz UDXQIFUTTZBFQK-JOCHJYFZSA-N 0 0 557.711 4.462 1 0 KIAFRN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027738256 561882149 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561882650 /nfs/dbraw/zinc/88/26/50/561882650.db2.gz GCUDDJNJGDEKFU-JOCHJYFZSA-N 0 0 623.726 4.357 1 0 KIAFRN C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(CCCOc2ccc(-c3noc(-c4ccccc4)n3)c(F)c2)CC1 ZINC000027742924 561882748 /nfs/dbraw/zinc/88/27/48/561882748.db2.gz IXXJRACDUQTBHS-HXUWFJFHSA-N 0 0 563.655 4.336 1 0 KIAFRN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027743006 561882752 /nfs/dbraw/zinc/88/27/52/561882752.db2.gz RYHRAWNYGIQDOB-HXUWFJFHSA-N 0 0 543.684 4.072 1 0 KIAFRN CCCCC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027743028 561882797 /nfs/dbraw/zinc/88/27/97/561882797.db2.gz NNOTZNYAHCYJMR-OAQYLSRUSA-N 0 0 543.684 4.216 1 0 KIAFRN O=C(CSCCCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000027744301 561882804 /nfs/dbraw/zinc/88/28/04/561882804.db2.gz OPXNDNRDMGBPJU-KYJUHHDHSA-N 0 0 573.759 4.302 1 0 KIAFRN CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000027744905 561882918 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HOOSOKYKVZPGIB-PKTZIBPZSA-N 0 0 619.740 4.349 1 0 KIAFRN C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C ZINC000027876703 561888696 /nfs/dbraw/zinc/88/86/96/561888696.db2.gz HVHGZTFFYDUNRF-RPWUZVMVSA-N 0 0 611.786 4.169 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCc2n[nH]cc2C1)C(c1ccccc1)c1ccccc1 ZINC000027883187 561889265 /nfs/dbraw/zinc/88/92/65/561889265.db2.gz MSTIGXVQOTXJJI-KBKXWFDOSA-N 0 0 571.722 4.347 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCc2n[nH]cc2C1)C(c1ccccc1)c1ccccc1 ZINC000027883194 561889331 /nfs/dbraw/zinc/88/93/31/561889331.db2.gz MSTIGXVQOTXJJI-DETITRACSA-N 0 0 571.722 4.347 1 0 KIAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCc2n[nH]cc2C1 ZINC000027887689 561889600 /nfs/dbraw/zinc/88/96/00/561889600.db2.gz YATITYZYEBKANM-ZQMYSKGWSA-N 0 0 564.514 4.065 1 0 KIAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCc2n[nH]cc2C1 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CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)CS(=O)(=O)[C@H]12 ZINC000027896127 561890306 /nfs/dbraw/zinc/89/03/06/561890306.db2.gz ZIIMENNVDQGAMX-UKILVPOCSA-N 0 0 611.500 4.030 1 0 KIAFRN CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)CS(=O)(=O)[C@@H]12 ZINC000027896136 561890267 /nfs/dbraw/zinc/89/02/67/561890267.db2.gz ZIIMENNVDQGAMX-ZCYQVOJMSA-N 0 0 611.500 4.030 1 0 KIAFRN CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCC[n+]2cccc(Cl)c2)cc1 ZINC000027899430 561890619 /nfs/dbraw/zinc/89/06/19/561890619.db2.gz ZAIRRNUDMRIYEK-UHFFFAOYSA-O 0 0 547.078 4.194 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900382 561890871 /nfs/dbraw/zinc/89/08/71/561890871.db2.gz CJBLARKUPVJXQH-AGGIAQGOSA-N 0 0 682.903 4.393 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900386 561890848 /nfs/dbraw/zinc/89/08/48/561890848.db2.gz CJBLARKUPVJXQH-ZTTXAYQISA-N 0 0 682.903 4.393 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900390 561890882 /nfs/dbraw/zinc/89/08/82/561890882.db2.gz CJBLARKUPVJXQH-IJLINHMISA-N 0 0 682.903 4.393 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900394 561890895 /nfs/dbraw/zinc/89/08/95/561890895.db2.gz CJBLARKUPVJXQH-PMUGGPHNSA-N 0 0 682.903 4.393 1 0 KIAFRN COc1cc(C(=O)O[C@@H](CCN2CCN(c3ccccc3)CC2)C(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000027900623 561890836 /nfs/dbraw/zinc/89/08/36/561890836.db2.gz JJNZZDBCXKHKKK-VWLOTQADSA-N 0 0 536.600 4.472 1 0 KIAFRN COc1cc(C(=O)O[C@H](CCN2CCN(c3ccccc3)CC2)C(=O)c2ccc(F)cc2)cc(OC)c1OC ZINC000027900629 561890897 /nfs/dbraw/zinc/89/08/97/561890897.db2.gz JJNZZDBCXKHKKK-RUZDIDTESA-N 0 0 536.600 4.472 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)/C=C/[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900798 561891001 /nfs/dbraw/zinc/89/10/01/561891001.db2.gz DSJXPTBHMCLQOG-HWXHTAOGSA-N 0 0 680.887 4.169 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)/C=C/[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900801 561891009 /nfs/dbraw/zinc/89/10/09/561891009.db2.gz DSJXPTBHMCLQOG-IEZJHREKSA-N 0 0 680.887 4.169 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)/C=C/[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900805 561890988 /nfs/dbraw/zinc/89/09/88/561890988.db2.gz DSJXPTBHMCLQOG-UUWUVBFHSA-N 0 0 680.887 4.169 1 0 KIAFRN CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)/C=C/[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 ZINC000027900808 561891010 /nfs/dbraw/zinc/89/10/10/561891010.db2.gz DSJXPTBHMCLQOG-FIFQRMMYSA-N 0 0 680.887 4.169 1 0 KIAFRN CCN(CCc1c2c(nc3cc4c(cc31)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC)C(=O)OCc1ccccc1 ZINC000027979542 561891437 /nfs/dbraw/zinc/89/14/37/561891437.db2.gz SNJYBAJACUNLGR-MGBGTMOVSA-N 0 0 597.624 4.010 1 0 KIAFRN CCN(CCc1c2c(nc3cc4c(cc31)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC)C(=O)OCc1ccccc1 ZINC000027979548 561891398 /nfs/dbraw/zinc/89/13/98/561891398.db2.gz SNJYBAJACUNLGR-XIFFEERXSA-N 0 0 597.624 4.010 1 0 KIAFRN O=C(Nc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027988860 561892701 /nfs/dbraw/zinc/89/27/01/561892701.db2.gz CJKUZCQCDLBCPJ-HSZRJFAPSA-N 0 0 528.838 4.169 1 0 KIAFRN O=C(Nc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027988866 561892728 /nfs/dbraw/zinc/89/27/28/561892728.db2.gz CJKUZCQCDLBCPJ-QHCPKHFHSA-N 0 0 528.838 4.169 1 0 KIAFRN CCCNC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027989059 561892654 /nfs/dbraw/zinc/89/26/54/561892654.db2.gz OKOVKCWYONLBLP-MUUNZHRXSA-N 0 0 524.109 4.289 1 0 KIAFRN CCCNC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027989065 561892641 /nfs/dbraw/zinc/89/26/41/561892641.db2.gz OKOVKCWYONLBLP-NDEPHWFRSA-N 0 0 524.109 4.289 1 0 KIAFRN CC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027989304 561892801 /nfs/dbraw/zinc/89/28/01/561892801.db2.gz SEHLSBMUTCCSCL-HHHXNRCGSA-N 0 0 559.936 4.478 1 0 KIAFRN CC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027989310 561892835 /nfs/dbraw/zinc/89/28/35/561892835.db2.gz SEHLSBMUTCCSCL-MHZLTWQESA-N 0 0 559.936 4.478 1 0 KIAFRN CC(C)OC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000027989859 561892842 /nfs/dbraw/zinc/89/28/42/561892842.db2.gz KXXFHCZMQSDTGH-UHFFFAOYSA-N 0 0 530.643 4.101 1 0 KIAFRN O=C(Cc1cccnc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027990656 561892967 /nfs/dbraw/zinc/89/29/67/561892967.db2.gz HJVVXXLJKNYHAR-RUZDIDTESA-N 0 0 511.851 4.467 1 0 KIAFRN O=C(Cc1cccnc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027990662 561892993 /nfs/dbraw/zinc/89/29/93/561892993.db2.gz HJVVXXLJKNYHAR-VWLOTQADSA-N 0 0 511.851 4.467 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC000027991750 561893191 /nfs/dbraw/zinc/89/31/91/561893191.db2.gz BAERKTIXPZLGLW-MHDHXZMLSA-N 0 0 623.754 4.106 1 0 KIAFRN O=C(Oc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027991871 561893201 /nfs/dbraw/zinc/89/32/01/561893201.db2.gz PZDLWSGRQNLKCH-HSZRJFAPSA-N 0 0 529.822 4.136 1 0 KIAFRN O=C(Oc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027991880 561893216 /nfs/dbraw/zinc/89/32/16/561893216.db2.gz PZDLWSGRQNLKCH-QHCPKHFHSA-N 0 0 529.822 4.136 1 0 KIAFRN CNC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027993068 561893349 /nfs/dbraw/zinc/89/33/49/561893349.db2.gz XWCMUCOWDZOIAS-AREMUKBSSA-N 0 0 574.951 4.271 1 0 KIAFRN CNC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027993074 561893338 /nfs/dbraw/zinc/89/33/38/561893338.db2.gz XWCMUCOWDZOIAS-SANMLTNESA-N 0 0 574.951 4.271 1 0 KIAFRN CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1cc[n+]([O-])cc1 ZINC000027993142 561893324 /nfs/dbraw/zinc/89/33/24/561893324.db2.gz LIUDLSBEEMADMK-RUZDIDTESA-N 0 0 555.904 4.441 1 0 KIAFRN CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1cc[n+]([O-])cc1 ZINC000027993149 561893277 /nfs/dbraw/zinc/89/32/77/561893277.db2.gz LIUDLSBEEMADMK-VWLOTQADSA-N 0 0 555.904 4.441 1 0 KIAFRN COCC[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1cc[n+]([O-])cc1 ZINC000027993166 561893281 /nfs/dbraw/zinc/89/32/81/561893281.db2.gz OVQRCNZLFIDOIZ-RBJSKKJNSA-N 0 0 585.930 4.111 1 0 KIAFRN COCC[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1cc[n+]([O-])cc1 ZINC000027993171 561893326 /nfs/dbraw/zinc/89/33/26/561893326.db2.gz OVQRCNZLFIDOIZ-CUBQBAPOSA-N 0 0 585.930 4.111 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1 ZINC000027993445 561893321 /nfs/dbraw/zinc/89/33/21/561893321.db2.gz NPDQYTSFLXMUQL-RUZDIDTESA-N 0 0 525.834 4.091 1 0 KIAFRN O=C(Cc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1 ZINC000027993449 561893344 /nfs/dbraw/zinc/89/33/44/561893344.db2.gz NPDQYTSFLXMUQL-VWLOTQADSA-N 0 0 525.834 4.091 1 0 KIAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N(C)Cc1ccccc1 ZINC000027993507 561893412 /nfs/dbraw/zinc/89/34/12/561893412.db2.gz GTHSXPMJBBRRTH-QKDODKLFSA-N 0 0 642.744 4.117 1 0 KIAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N(C)Cc1ccccc1 ZINC000027993512 561893466 /nfs/dbraw/zinc/89/34/66/561893466.db2.gz GTHSXPMJBBRRTH-PVHODMMVSA-N 0 0 642.744 4.117 1 0 KIAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4C=Cc4cc(Br)cnc43)CC2)CC1 ZINC000027994093 561893451 /nfs/dbraw/zinc/89/34/51/561893451.db2.gz SKECBVYVVSSXSD-RUZDIDTESA-N 0 0 558.908 4.396 1 0 KIAFRN NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C=Cc4cc(Br)cnc43)CC2)CC1 ZINC000027994096 561893424 /nfs/dbraw/zinc/89/34/24/561893424.db2.gz SKECBVYVVSSXSD-VWLOTQADSA-N 0 0 558.908 4.396 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccccc1)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC000027994676 561893588 /nfs/dbraw/zinc/89/35/88/561893588.db2.gz ZVRFDDIXIMHJLH-DJHGZAOCSA-N 0 0 619.766 4.009 1 0 KIAFRN O=C(Cc1ccncc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027995495 561893758 /nfs/dbraw/zinc/89/37/58/561893758.db2.gz CXHRDHMBLZINQP-RUZDIDTESA-N 0 0 511.851 4.467 1 0 KIAFRN O=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027995500 561893740 /nfs/dbraw/zinc/89/37/40/561893740.db2.gz CXHRDHMBLZINQP-VWLOTQADSA-N 0 0 511.851 4.467 1 0 KIAFRN CN1CCN(C(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000027995710 561893789 /nfs/dbraw/zinc/89/37/89/561893789.db2.gz RADFHKFDHAMEFP-HSZRJFAPSA-N 0 0 537.532 4.219 1 0 KIAFRN CN1CCN(C(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000027995717 561893799 /nfs/dbraw/zinc/89/37/99/561893799.db2.gz RADFHKFDHAMEFP-QHCPKHFHSA-N 0 0 537.532 4.219 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1CC(=O)N[C@H](Cc2ccccc2)C1 ZINC000027996030 561893927 /nfs/dbraw/zinc/89/39/27/561893927.db2.gz BAERKTIXPZLGLW-DPFTZIENSA-N 0 0 623.754 4.106 1 0 KIAFRN CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1ccc[n+]([O-])c1 ZINC000027996056 561893950 /nfs/dbraw/zinc/89/39/50/561893950.db2.gz LKJVJLHCXBTZOM-RUZDIDTESA-N 0 0 555.904 4.441 1 0 KIAFRN CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1ccc[n+]([O-])c1 ZINC000027996063 561893951 /nfs/dbraw/zinc/89/39/51/561893951.db2.gz LKJVJLHCXBTZOM-VWLOTQADSA-N 0 0 555.904 4.441 1 0 KIAFRN COCC[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCN(C(N)=O)CC1 ZINC000027996144 561893886 /nfs/dbraw/zinc/89/38/86/561893886.db2.gz JXRQSWZVIHDLQO-CUBQBAPOSA-N 0 0 619.004 4.416 1 0 KIAFRN COCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000027997970 561894150 /nfs/dbraw/zinc/89/41/50/561894150.db2.gz RZQOZDQCODMKDK-SVBPBHIXSA-N 0 0 585.792 4.441 1 0 KIAFRN O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028003419 561895088 /nfs/dbraw/zinc/89/50/88/561895088.db2.gz JTMOULOSRHDSIC-HSZRJFAPSA-N 0 0 528.838 4.169 1 0 KIAFRN O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028003424 561895082 /nfs/dbraw/zinc/89/50/82/561895082.db2.gz JTMOULOSRHDSIC-QHCPKHFHSA-N 0 0 528.838 4.169 1 0 KIAFRN COC(=O)c1ccc(CN2C(=O)N(Cc3ccc(C(=O)OC)cc3)[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@H]2COc2ccccc2)cc1 ZINC000028003947 561895234 /nfs/dbraw/zinc/89/52/34/561895234.db2.gz QHCPFNABVWBWET-WZJLIZBTSA-N 0 0 654.716 4.315 1 0 KIAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccccc1 ZINC000028003979 561895236 /nfs/dbraw/zinc/89/52/36/561895236.db2.gz PAWIHPFXDRGRSR-SDHOMARFSA-N 0 0 614.690 4.097 1 0 KIAFRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccccc1 ZINC000028003982 561895212 /nfs/dbraw/zinc/89/52/12/561895212.db2.gz PAWIHPFXDRGRSR-DSITVLBTSA-N 0 0 614.690 4.097 1 0 KIAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2S(=O)(=O)C(C)C ZINC000028012774 561896638 /nfs/dbraw/zinc/89/66/38/561896638.db2.gz WZJFHZDDJXYPSI-UHFFFAOYSA-N 0 0 530.606 4.347 1 0 KIAFRN COC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)OC)C(C)C)C(C)C)cc2c1 ZINC000028014157 561897006 /nfs/dbraw/zinc/89/70/06/561897006.db2.gz LBJLRNGNKAGHEL-LENAEUCASA-N 0 0 671.832 4.316 1 0 KIAFRN Cc1nc2cnccc2n1CCN1CCN(S(=O)(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 ZINC000028018598 561897980 /nfs/dbraw/zinc/89/79/80/561897980.db2.gz MDKJGIHJFSFYBC-UHFFFAOYSA-N 0 0 589.697 4.037 1 0 KIAFRN CNC(=O)c1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)oc1C ZINC000028021179 561898466 /nfs/dbraw/zinc/89/84/66/561898466.db2.gz GJMWRNQOTARVKK-BJKOFHAPSA-N 0 0 536.677 4.224 1 0 KIAFRN Cc1nc2cnccc2n1CCN1CCN(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)CC1 ZINC000028023000 561898830 /nfs/dbraw/zinc/89/88/30/561898830.db2.gz QPAOGZQDABNROT-UHFFFAOYSA-N 0 0 553.642 4.488 1 0 KIAFRN Nc1ccc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000028086233 561899107 /nfs/dbraw/zinc/89/91/07/561899107.db2.gz PBIBDSDWIMZYDT-UHFFFAOYSA-N 0 0 566.437 4.245 1 0 KIAFRN Nc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000028086238 561899125 /nfs/dbraw/zinc/89/91/25/561899125.db2.gz ZCSWLBURSBZESH-UHFFFAOYSA-N 0 0 521.986 4.136 1 0 KIAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000028087089 561899260 /nfs/dbraw/zinc/89/92/60/561899260.db2.gz XINUKPYXEBNDSW-GCXHJFECSA-N 0 0 640.822 4.219 1 0 KIAFRN O=C(CCCN1CCN(S(=O)(=O)Oc2ccccc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21 ZINC000028087440 561899410 /nfs/dbraw/zinc/89/94/10/561899410.db2.gz KCDLMWBZBCPMFC-MUUNZHRXSA-N 0 0 537.707 4.220 1 0 KIAFRN O=C(CCCN1CCN(S(=O)(=O)Oc2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21 ZINC000028087446 561899370 /nfs/dbraw/zinc/89/93/70/561899370.db2.gz KCDLMWBZBCPMFC-NDEPHWFRSA-N 0 0 537.707 4.220 1 0 KIAFRN CC(C)(C)NC(=O)c1ccccc1SC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2c1 ZINC000028088831 561899573 /nfs/dbraw/zinc/89/95/73/561899573.db2.gz AVAHNMONCARLTC-DTXPUJKBSA-N 0 0 640.806 4.223 1 0 KIAFRN CCCCCC[N@H+](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028089519 561899685 /nfs/dbraw/zinc/89/96/85/561899685.db2.gz VPGGRNFQPDREAD-RRPNLBNLSA-N 0 0 576.694 4.246 1 0 KIAFRN CCCCCC[N@H+](C)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028089526 561899671 /nfs/dbraw/zinc/89/96/71/561899671.db2.gz VPGGRNFQPDREAD-SVBPBHIXSA-N 0 0 576.694 4.246 1 0 KIAFRN COC(=O)[C@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028089872 561899662 /nfs/dbraw/zinc/89/96/62/561899662.db2.gz RARVWDBODUOHND-KKUQBAQOSA-N 0 0 541.689 4.283 1 0 KIAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028090502 561899772 /nfs/dbraw/zinc/89/97/72/561899772.db2.gz QIPQJRGZJNZSHX-XHPANXIASA-N 0 0 654.849 4.466 1 0 KIAFRN Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000028090785 561899847 /nfs/dbraw/zinc/89/98/47/561899847.db2.gz IWXNKCVTYVGGPQ-NSOVKSMOSA-N 0 0 526.633 4.420 1 0 KIAFRN Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000028090792 561899805 /nfs/dbraw/zinc/89/98/05/561899805.db2.gz IWXNKCVTYVGGPQ-IZLXSDGUSA-N 0 0 526.633 4.420 1 0 KIAFRN Nc1ccc(NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(C(=O)Nc2ccc(Br)cn2)c1 ZINC000028093838 561900401 /nfs/dbraw/zinc/90/04/01/561900401.db2.gz BCTHOXQGNCNZPW-UHFFFAOYSA-N 0 0 566.437 4.245 1 0 KIAFRN CC(C)[C@@H](C(=O)N[C@H]1c2ccccc2C[C@@H]1O)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ncccc1OCCOc1ccccc1 ZINC000028095135 561900655 /nfs/dbraw/zinc/90/06/55/561900655.db2.gz VVWOZKSDLNYDJU-BGHFVXQJSA-N 0 0 659.824 4.377 1 0 KIAFRN CC(C)[C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ncccc1OCCOc1ccccc1 ZINC000028095140 561900631 /nfs/dbraw/zinc/90/06/31/561900631.db2.gz VVWOZKSDLNYDJU-YQLPLSENSA-N 0 0 659.824 4.377 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC3(CCCC3)CCO2)cc1 ZINC000028102445 561901814 /nfs/dbraw/zinc/90/18/14/561901814.db2.gz QJDAHGQPUYDKFR-NHKHRBQYSA-N 0 0 572.768 4.170 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CC3(CCCC3)CCO2)cc1 ZINC000028102451 561901795 /nfs/dbraw/zinc/90/17/95/561901795.db2.gz QJDAHGQPUYDKFR-ZGIBFIJWSA-N 0 0 572.768 4.170 1 0 KIAFRN CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(O)cc1 ZINC000028103016 561901965 /nfs/dbraw/zinc/90/19/65/561901965.db2.gz LHJDLZYPKPNPHM-VXKWHMMOSA-N 0 0 537.748 4.117 1 0 KIAFRN C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(=O)c2ccccc2)cc1 ZINC000028107635 561902639 /nfs/dbraw/zinc/90/26/39/561902639.db2.gz PFCVZVLSSSVSSB-CHJDUVSTSA-N 0 0 583.635 4.287 1 0 KIAFRN CC[C@@H](C)[C@H]1NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 ZINC000028110079 561902889 /nfs/dbraw/zinc/90/28/89/561902889.db2.gz JQFURXDLANWKPX-ZLQMDWIKSA-N 0 0 705.907 4.462 1 0 KIAFRN COc1ccc2ccc(S(=O)(=O)N[C@@H](Cc3ccc4ccnc(N)c4c3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000028110160 561903027 /nfs/dbraw/zinc/90/30/27/561903027.db2.gz IEUYOUGDJWEGKK-MHZLTWQESA-N 0 0 532.666 4.127 1 0 KIAFRN COc1ccc2ccc(S(=O)(=O)N[C@H](Cc3ccc4ccnc(N)c4c3)C(=O)N3CCC(C)CC3)cc2c1 ZINC000028110166 561903033 /nfs/dbraw/zinc/90/30/33/561903033.db2.gz IEUYOUGDJWEGKK-HHHXNRCGSA-N 0 0 532.666 4.127 1 0 KIAFRN CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028110920 561903052 /nfs/dbraw/zinc/90/30/52/561903052.db2.gz AMEWHDOLPPKSNY-PZGSVQSZSA-N 0 0 592.520 4.354 1 0 KIAFRN C/C(=C\c1ccccc1)CN1CCN(C[C@@H]2ON=C3c4ccc(OC(=O)c5ccncc5)cc4OC[C@H]32)CC1 ZINC000028111658 561903128 /nfs/dbraw/zinc/90/31/28/561903128.db2.gz OLAGLCHGSUYVBF-HXSUMWGRSA-N 0 0 524.621 4.133 1 0 KIAFRN CC(C)(C)OC(=O)NCCCC(=O)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn21 ZINC000028117050 561903924 /nfs/dbraw/zinc/90/39/24/561903924.db2.gz WPRTUYQAOVQLSK-UHFFFAOYSA-N 0 0 530.589 4.220 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5ccc(F)cc5)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028122384 561904510 /nfs/dbraw/zinc/90/45/10/561904510.db2.gz LKWRGPUPPVWOTK-UHFFFAOYSA-N 0 0 504.522 4.141 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(F)c2)C(=O)[C@@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028122744 561904621 /nfs/dbraw/zinc/90/46/21/561904621.db2.gz IQZZSRVNEXTPDD-FQRHUJGMSA-N 0 0 512.530 4.433 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(F)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028122751 561904616 /nfs/dbraw/zinc/90/46/16/561904616.db2.gz IQZZSRVNEXTPDD-XAGHGKQISA-N 0 0 512.530 4.433 1 0 KIAFRN NC(=O)c1cccc(N2C(=O)N(c3cccc(C(N)=O)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000028125020 561904762 /nfs/dbraw/zinc/90/47/62/561904762.db2.gz LUOOIXNNRYGGEB-IDZRBWSNSA-N 0 0 548.643 4.305 1 0 KIAFRN CC(C)(Nc1ccccc1Oc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028128140 561905208 /nfs/dbraw/zinc/90/52/08/561905208.db2.gz XXUNGTTWGJQVKU-MUUNZHRXSA-N 0 0 544.696 4.235 1 0 KIAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CC(=O)N(Cc2ccc3ncccc3c2)[C@@H](CC(C)C)C1=O ZINC000028129174 561905410 /nfs/dbraw/zinc/90/54/10/561905410.db2.gz NTENNIUZAXAGRB-VMPREFPWSA-N 0 0 522.649 4.331 1 0 KIAFRN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000028129229 561905355 /nfs/dbraw/zinc/90/53/55/561905355.db2.gz RAVNZMCDLGQATP-VSGBNLITSA-N 0 0 635.753 4.070 1 0 KIAFRN CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CCN(CCS(=O)(=O)N3CCCC3)C2)C1 ZINC000028129236 561905382 /nfs/dbraw/zinc/90/53/82/561905382.db2.gz RAVNZMCDLGQATP-WUFINQPMSA-N 0 0 635.753 4.070 1 0 KIAFRN Cc1c(=O)[nH]c(=O)n(COCN(C(=O)c2ccccc2)C(=O)c2ccccc2)c1SC1CCCCC1 ZINC000028129456 561905416 /nfs/dbraw/zinc/90/54/16/561905416.db2.gz NSLLZDHALQPRRX-UHFFFAOYSA-N 0 0 507.612 4.184 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5cccc(C)c5)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028130285 561905599 /nfs/dbraw/zinc/90/55/99/561905599.db2.gz RAYVCIZUKXEHDM-UHFFFAOYSA-N 0 0 500.559 4.311 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5OC)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028130291 561905583 /nfs/dbraw/zinc/90/55/83/561905583.db2.gz JNJWKLSCJORTLT-UHFFFAOYSA-N 0 0 516.558 4.011 1 0 KIAFRN CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028130963 561905677 /nfs/dbraw/zinc/90/56/77/561905677.db2.gz XMVGCUFAWKLZGS-LJAQVGFWSA-N 0 0 529.681 4.077 1 0 KIAFRN COc1cc(CO[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N2CCNC(C)=O)cc(OC)c1O ZINC000028131766 561905804 /nfs/dbraw/zinc/90/58/04/561905804.db2.gz ATHVCKRHVRFRFD-HHHXNRCGSA-N 0 0 510.974 4.073 1 0 KIAFRN COc1cc(CO[C@@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N2CCNC(C)=O)cc(OC)c1O ZINC000028131771 561905795 /nfs/dbraw/zinc/90/57/95/561905795.db2.gz ATHVCKRHVRFRFD-MHZLTWQESA-N 0 0 510.974 4.073 1 0 KIAFRN CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028132528 561905915 /nfs/dbraw/zinc/90/59/15/561905915.db2.gz MQECEGKYFAVSKQ-LJAQVGFWSA-N 0 0 529.681 4.077 1 0 KIAFRN CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(C/C=C/c2ccncc2)[C@@H](CC(C)C)C1=O ZINC000028132831 561906026 /nfs/dbraw/zinc/90/60/26/561906026.db2.gz AQMLUIURUPLBCR-ZPGBJXAKSA-N 0 0 512.654 4.081 1 0 KIAFRN O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028133232 561906013 /nfs/dbraw/zinc/90/60/13/561906013.db2.gz SILRXFHWSPZKLR-HHHXNRCGSA-N 0 0 520.605 4.189 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccccc5F)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028133868 561906189 /nfs/dbraw/zinc/90/61/89/561906189.db2.gz WEHIFBIGHCEEOQ-UHFFFAOYSA-N 0 0 504.522 4.141 1 0 KIAFRN O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028133894 561906231 /nfs/dbraw/zinc/90/62/31/561906231.db2.gz MXLKWPNPHPHNAA-MUUNZHRXSA-N 0 0 552.622 4.115 1 0 KIAFRN CS(=O)(=O)c1ccc(N(CC2CCCC2)C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000028134452 561906249 /nfs/dbraw/zinc/90/62/49/561906249.db2.gz FEZQDAVTVSBLEP-UHFFFAOYSA-N 0 0 507.659 4.332 1 0 KIAFRN CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1cccc(Oc2cccc(F)c2)c1 ZINC000028134602 561906347 /nfs/dbraw/zinc/90/63/47/561906347.db2.gz FENAWYROLNYVEY-NDEPHWFRSA-N 0 0 534.632 4.214 1 0 KIAFRN O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028134649 561906273 /nfs/dbraw/zinc/90/62/73/561906273.db2.gz JINMJMRQNUSOIK-HHHXNRCGSA-N 0 0 502.615 4.050 1 0 KIAFRN Cc1ccc(COc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000028136924 561906706 /nfs/dbraw/zinc/90/67/06/561906706.db2.gz CTKYBSXOAQSROD-GDLZYMKVSA-N 0 0 530.669 4.145 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5F)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028137036 561906709 /nfs/dbraw/zinc/90/67/09/561906709.db2.gz IHLGTHQZIHOELI-UHFFFAOYSA-N 0 0 504.522 4.141 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5cccc(OC)c5)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028137188 561906929 /nfs/dbraw/zinc/90/69/29/561906929.db2.gz QILHXEYZDONICH-UHFFFAOYSA-N 0 0 516.558 4.011 1 0 KIAFRN NC(=O)c1cccc(N2C(=O)N(c3cccc(C(N)=O)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000028137568 561906904 /nfs/dbraw/zinc/90/69/04/561906904.db2.gz LUOOIXNNRYGGEB-DTXPUJKBSA-N 0 0 548.643 4.305 1 0 KIAFRN CN(C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1cccc(Oc2cccc(F)c2)c1 ZINC000028137853 561906941 /nfs/dbraw/zinc/90/69/41/561906941.db2.gz FENAWYROLNYVEY-MUUNZHRXSA-N 0 0 534.632 4.214 1 0 KIAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028137867 561906946 /nfs/dbraw/zinc/90/69/46/561906946.db2.gz IOSMSZSIGNYMDR-MHZLTWQESA-N 0 0 502.615 4.050 1 0 KIAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)(C)C)Cc1ccccc1 ZINC000028224661 561907802 /nfs/dbraw/zinc/90/78/02/561907802.db2.gz SFBZPAAKHLJDKZ-CHAHKKNJSA-N 0 0 587.783 4.474 1 0 KIAFRN Cc1cn([C@H]2C=C[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O2)c(=O)[nH]c1=O ZINC000028225194 561907762 /nfs/dbraw/zinc/90/77/62/561907762.db2.gz WZAOLLDCKXJLRG-NXEZZACHSA-N 0 0 566.973 4.197 1 0 KIAFRN Cc1cn([C@@H]2C=C[C@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O2)c(=O)[nH]c1=O ZINC000028225198 561907970 /nfs/dbraw/zinc/90/79/70/561907970.db2.gz WZAOLLDCKXJLRG-ZJUUUORDSA-N 0 0 566.973 4.197 1 0 KIAFRN Cc1cn([C@H]2C=C[C@@H](COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O2)c(=O)[nH]c1=O ZINC000028225202 561907969 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/nfs/dbraw/zinc/91/36/09/561913609.db2.gz IDNXFVZPYHDCNJ-SFHVURJKSA-N 0 0 531.652 4.347 1 0 KIAFRN COc1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000028338469 561913758 /nfs/dbraw/zinc/91/37/58/561913758.db2.gz PHYXOBLODUURFV-NDEPHWFRSA-N 0 0 532.641 4.059 1 0 KIAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028338588 561913744 /nfs/dbraw/zinc/91/37/44/561913744.db2.gz IOSMSZSIGNYMDR-HHHXNRCGSA-N 0 0 502.615 4.050 1 0 KIAFRN CC(C)(C)NC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccccc3F)ccc2n1Cc1ccccc1 ZINC000028339314 561913837 /nfs/dbraw/zinc/91/38/37/561913837.db2.gz MRSUWPQFCWJPFL-UHFFFAOYSA-N 0 0 537.661 4.342 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccc(C)cc5)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028339873 561913865 /nfs/dbraw/zinc/91/38/65/561913865.db2.gz MTTFKOZHQXOLAS-UHFFFAOYSA-N 0 0 500.559 4.311 1 0 KIAFRN CC(C)(Nc1ccccc1Oc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028339889 561913885 /nfs/dbraw/zinc/91/38/85/561913885.db2.gz XXUNGTTWGJQVKU-NDEPHWFRSA-N 0 0 544.696 4.235 1 0 KIAFRN Cc1ccc(COc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000028340620 561914037 /nfs/dbraw/zinc/91/40/37/561914037.db2.gz CTKYBSXOAQSROD-LJAQVGFWSA-N 0 0 530.669 4.145 1 0 KIAFRN O=C(Nc1ccc(OCc2cccc(Cl)c2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028340749 561914012 /nfs/dbraw/zinc/91/40/12/561914012.db2.gz FGVLMFXEISDVJN-NDEPHWFRSA-N 0 0 551.087 4.490 1 0 KIAFRN O=C(Nc1ccccc1Oc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028340868 561913989 /nfs/dbraw/zinc/91/39/89/561913989.db2.gz CTXVGGUZZFAQMB-SANMLTNESA-N 0 0 502.615 4.050 1 0 KIAFRN CC(C)(Oc1ccccc1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028340988 561913971 /nfs/dbraw/zinc/91/39/71/561913971.db2.gz YDXOCMSAXGPCJQ-NDEPHWFRSA-N 0 0 529.681 4.077 1 0 KIAFRN O=C(CN1CCCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028341229 561914139 /nfs/dbraw/zinc/91/41/39/561914139.db2.gz BRINYKVTOUEAPK-HOOSLVGPSA-N 0 0 508.109 4.298 1 0 KIAFRN O=C(CN1CCCCC1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000028341236 561914074 /nfs/dbraw/zinc/91/40/74/561914074.db2.gz BRINYKVTOUEAPK-RHGYRFJNSA-N 0 0 508.109 4.298 1 0 KIAFRN O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3C(F)(F)F)n2)n2n1CC1(C2)OCCO1 ZINC000028341291 561914097 /nfs/dbraw/zinc/91/40/97/561914097.db2.gz KRMGXHKSHZQFFX-UHFFFAOYSA-N 0 0 527.478 4.301 1 0 KIAFRN CN(C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1ccc(Oc2ccccc2)cc1 ZINC000028341362 561914153 /nfs/dbraw/zinc/91/41/53/561914153.db2.gz ANXVEUKNBZKYSA-MUUNZHRXSA-N 0 0 516.642 4.075 1 0 KIAFRN CC(C)(Oc1cccc(-c2ccccc2)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028341545 561914135 /nfs/dbraw/zinc/91/41/35/561914135.db2.gz MQECEGKYFAVSKQ-GDLZYMKVSA-N 0 0 529.681 4.077 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccc(OC)cc5)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028342254 561914339 /nfs/dbraw/zinc/91/43/39/561914339.db2.gz PDRZVSZGCJACJG-UHFFFAOYSA-N 0 0 516.558 4.011 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4noc(-c5ccc(F)cc5)n4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028342273 561914360 /nfs/dbraw/zinc/91/43/60/561914360.db2.gz LHMYROXNDKDUQN-UHFFFAOYSA-N 0 0 504.522 4.141 1 0 KIAFRN CCCNC(=O)N[C@@H](C)c1ccc(S(=O)(=O)c2ccc(OC)cc2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000028342358 561914315 /nfs/dbraw/zinc/91/43/15/561914315.db2.gz BLZJLLXBXHHRTG-SFHVURJKSA-N 0 0 546.667 4.140 1 0 KIAFRN CN(C(=O)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000028342554 561914390 /nfs/dbraw/zinc/91/43/90/561914390.db2.gz CUBBKVSXLZRWPC-MUUNZHRXSA-N 0 0 516.642 4.075 1 0 KIAFRN CN(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1)c1cccc(Oc2ccccc2)c1 ZINC000028342954 561914328 /nfs/dbraw/zinc/91/43/28/561914328.db2.gz CUBBKVSXLZRWPC-NDEPHWFRSA-N 0 0 516.642 4.075 1 0 KIAFRN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028342974 561914394 /nfs/dbraw/zinc/91/43/94/561914394.db2.gz CKNCGPICNNNDLB-HHHXNRCGSA-N 0 0 520.605 4.189 1 0 KIAFRN COc1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)cc2)cc1 ZINC000028343276 561914513 /nfs/dbraw/zinc/91/45/13/561914513.db2.gz PHYXOBLODUURFV-MUUNZHRXSA-N 0 0 532.641 4.059 1 0 KIAFRN O=C(/C=C/c1ccccc1)N[C@@H](NC(=S)Nc1ccccn1)C(Br)(Br)Br ZINC000028343310 561914491 /nfs/dbraw/zinc/91/44/91/561914491.db2.gz AELLYOABUTVWTB-FEAKQIBJSA-N 0 0 563.113 4.362 1 0 KIAFRN O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1ccccn1)C(Br)(Br)Br ZINC000028343316 561914490 /nfs/dbraw/zinc/91/44/90/561914490.db2.gz AELLYOABUTVWTB-BOLDSZDNSA-N 0 0 563.113 4.362 1 0 KIAFRN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)Cc2ccccc2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000028343348 561914470 /nfs/dbraw/zinc/91/44/70/561914470.db2.gz LHDFIWUZFKJCBX-JHOUSYSJSA-N 0 0 672.251 4.373 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5ccc(C)cc5)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028343592 561914469 /nfs/dbraw/zinc/91/44/69/561914469.db2.gz OIOHCERAXJETSD-UHFFFAOYSA-N 0 0 500.559 4.311 1 0 KIAFRN CCCn1c2[nH]c(-c3ccc(OCc4nc(-c5ccccc5C)no4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028343912 561914492 /nfs/dbraw/zinc/91/44/92/561914492.db2.gz HVVIGJWBRVNGNX-UHFFFAOYSA-N 0 0 500.559 4.311 1 0 KIAFRN O=C(Nc1cccc(Oc2ccccc2)c1)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000028343944 561914504 /nfs/dbraw/zinc/91/45/04/561914504.db2.gz JINMJMRQNUSOIK-MHZLTWQESA-N 0 0 502.615 4.050 1 0 KIAFRN O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2NS(=O)(=O)c2ccccc2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000028344409 561914593 /nfs/dbraw/zinc/91/45/93/561914593.db2.gz JGBLVRVFDFNBFC-AJQTZOPKSA-N 0 0 658.224 4.231 1 0 KIAFRN O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(S(=O)(=O)c2ccccc2)N1Cc1ccc(O)cc1 ZINC000028347875 561915162 /nfs/dbraw/zinc/91/51/62/561915162.db2.gz YXDNBDGRWPPLNE-LOYHVIPDSA-N 0 0 573.671 4.114 1 0 KIAFRN Cc1ccccc1S(=O)(=O)N1C[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N1Cc1ccc(O)cc1 ZINC000028347884 561915202 /nfs/dbraw/zinc/91/52/02/561915202.db2.gz NSENBIADJFSRLP-LOYHVIPDSA-N 0 0 587.698 4.422 1 0 KIAFRN CCOC(=O)CSc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028349999 561915413 /nfs/dbraw/zinc/91/54/13/561915413.db2.gz NBNPQODMHXVLAD-UHFFFAOYSA-N 0 0 513.616 4.357 1 0 KIAFRN NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000028353838 561916013 /nfs/dbraw/zinc/91/60/13/561916013.db2.gz VPHOCCVGAFUUSL-ZEQRLZLVSA-N 0 0 575.609 4.249 1 0 KIAFRN NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CC(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028354906 561916008 /nfs/dbraw/zinc/91/60/08/561916008.db2.gz OIEVLXXHZDVSNT-UHFFFAOYSA-N 0 0 525.677 4.114 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(Cl)c1 ZINC000028357602 561916306 /nfs/dbraw/zinc/91/63/06/561916306.db2.gz KFSFYLCHRKHXSZ-DWNJJFLRSA-N 0 0 605.220 4.241 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1 ZINC000028357619 561916289 /nfs/dbraw/zinc/91/62/89/561916289.db2.gz XIFYEJYQRVQJKZ-HPJAXEMBSA-N 0 0 598.829 4.205 1 0 KIAFRN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)nc(CCNC(=O)NC(C)(C)C)n3Cc2ccccc2)cc1 ZINC000028357730 561916295 /nfs/dbraw/zinc/91/62/95/561916295.db2.gz RSUHQYDTZUCNTK-UHFFFAOYSA-N 0 0 549.697 4.212 1 0 KIAFRN O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)nc(SCCN1CCOCC1)n2Cc1ccccc1 ZINC000028358836 561916445 /nfs/dbraw/zinc/91/64/45/561916445.db2.gz HONLKSCJALNEPV-UHFFFAOYSA-N 0 0 540.686 4.127 1 0 KIAFRN CC(C)(C)NC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 ZINC000028358915 561916455 /nfs/dbraw/zinc/91/64/55/561916455.db2.gz DYPJOPACONFRFB-UHFFFAOYSA-N 0 0 537.661 4.342 1 0 KIAFRN CC(C)(C)NC(=O)NCCc1nc2cc(S(=O)(=O)NCc3ccccc3)ccc2n1Cc1ccccc1 ZINC000028358938 561916457 /nfs/dbraw/zinc/91/64/57/561916457.db2.gz YIUYFBFILWBTCV-UHFFFAOYSA-N 0 0 519.671 4.203 1 0 KIAFRN Cc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(O)cc3)C(=O)N2Cc2ccc(O)cc2)cc1 ZINC000028359807 561916624 /nfs/dbraw/zinc/91/66/24/561916624.db2.gz WRQARCSSMDANTK-FIRIVFDPSA-N 0 0 587.698 4.422 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccccc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028360681 561916762 /nfs/dbraw/zinc/91/67/62/561916762.db2.gz TXDHFCIIPGIWCD-NRFANRHFSA-N 0 0 542.640 4.097 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccccc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028360688 561916750 /nfs/dbraw/zinc/91/67/50/561916750.db2.gz TXDHFCIIPGIWCD-OAQYLSRUSA-N 0 0 542.640 4.097 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(OC)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028360695 561916738 /nfs/dbraw/zinc/91/67/38/561916738.db2.gz SCWKZEKLYUXGBX-FQEVSTJZSA-N 0 0 590.656 4.245 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(OC)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028360703 561916748 /nfs/dbraw/zinc/91/67/48/561916748.db2.gz SCWKZEKLYUXGBX-HXUWFJFHSA-N 0 0 590.656 4.245 1 0 KIAFRN O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3cccc(C(F)(F)F)c3)n2)n2n1CC1(C2)OCCO1 ZINC000028361813 561916943 /nfs/dbraw/zinc/91/69/43/561916943.db2.gz VSLHBWYZAFBLBO-UHFFFAOYSA-N 0 0 527.478 4.301 1 0 KIAFRN NC(=O)COc1ccc(C[C@H](CC(=O)CN2C(=O)[C@@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000028366529 561917700 /nfs/dbraw/zinc/91/77/00/561917700.db2.gz DDUJVCOQBVKGPL-DNEORQGQSA-N 0 0 673.810 4.146 1 0 KIAFRN NC(=O)COc1ccc(C[C@H](CC(=O)CN2C(=O)[C@@H](Cc3ccccc3)C[C@@H]2Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000028366536 561917688 /nfs/dbraw/zinc/91/76/88/561917688.db2.gz DDUJVCOQBVKGPL-KMSHNVPMSA-N 0 0 673.810 4.146 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cc(C)cc(C)c1 ZINC000028367586 561917856 /nfs/dbraw/zinc/91/78/56/561917856.db2.gz VQFFDAVWRQSYDL-SOLWDGIASA-N 0 0 501.712 4.214 1 0 KIAFRN O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2CO)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028368221 561917902 /nfs/dbraw/zinc/91/79/02/561917902.db2.gz CDFNDYAUXUMVJA-DEOSSOPVSA-N 0 0 565.468 4.143 1 0 KIAFRN COc1cccc(S(=O)(=O)N2C[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(O)cc3)C(=O)N2Cc2ccc(O)cc2)c1 ZINC000028370029 561918216 /nfs/dbraw/zinc/91/82/16/561918216.db2.gz XKSCKFLNYCPZFM-FIRIVFDPSA-N 0 0 603.697 4.122 1 0 KIAFRN O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(S(=O)(=O)c2cccc(F)c2)N1Cc1ccc(O)cc1 ZINC000028370035 561918166 /nfs/dbraw/zinc/91/81/66/561918166.db2.gz QZBYUBPFEPCXED-LOYHVIPDSA-N 0 0 591.661 4.253 1 0 KIAFRN Cc1cccc(S(=O)(=O)N2C[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(O)cc3)C(=O)N2Cc2ccc(O)cc2)c1 ZINC000028370046 561918214 /nfs/dbraw/zinc/91/82/14/561918214.db2.gz WNTJOTLDEPZCHU-FIRIVFDPSA-N 0 0 587.698 4.422 1 0 KIAFRN COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(O)cc3)C(=O)N2Cc2ccc(O)cc2)cc1 ZINC000028370052 561918175 /nfs/dbraw/zinc/91/81/75/561918175.db2.gz PGFLJPIQPWFGNU-FIRIVFDPSA-N 0 0 603.697 4.122 1 0 KIAFRN CCOC(=O)CN1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028370225 561918241 /nfs/dbraw/zinc/91/82/41/561918241.db2.gz POMNQNLISTUMAO-UHFFFAOYSA-N 0 0 584.016 4.372 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3c(OC)cccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028370290 561918155 /nfs/dbraw/zinc/91/81/55/561918155.db2.gz FKBJWCGWLOCQFC-FQEVSTJZSA-N 0 0 590.656 4.245 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3c(OC)cccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028370297 561918218 /nfs/dbraw/zinc/91/82/18/561918218.db2.gz FKBJWCGWLOCQFC-HXUWFJFHSA-N 0 0 590.656 4.245 1 0 KIAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)cc1 ZINC000028372348 561918611 /nfs/dbraw/zinc/91/86/11/561918611.db2.gz OHUMBPPYPVGBOE-LUMKLEGXSA-N 0 0 664.733 4.251 1 0 KIAFRN O=S1(=O)CCN(CCOc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)CC1 ZINC000028372715 561918679 /nfs/dbraw/zinc/91/86/79/561918679.db2.gz WVTMGMFRIVZXOS-IZZNHLLZSA-N 0 0 513.637 4.174 1 0 KIAFRN O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccc(C(F)(F)F)cc3)n2)n2n1CC1(C2)OCCO1 ZINC000028372916 561918681 /nfs/dbraw/zinc/91/86/81/561918681.db2.gz UTPHJDXEUPTAIJ-UHFFFAOYSA-N 0 0 527.478 4.301 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028373983 561918924 /nfs/dbraw/zinc/91/89/24/561918924.db2.gz FTPPJHRFCSXVGZ-FQEVSTJZSA-N 0 0 560.630 4.236 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028373990 561918988 /nfs/dbraw/zinc/91/89/88/561918988.db2.gz FTPPJHRFCSXVGZ-HXUWFJFHSA-N 0 0 560.630 4.236 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(OC(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000028374125 561918990 /nfs/dbraw/zinc/91/89/90/561918990.db2.gz WLEDIZGDERNADK-GOSISDBHSA-N 0 0 549.575 4.111 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N[C@@H](CCCCCCCc1ccc3c([nH+]1)NCCC3)C(=O)[O-])C(=O)C2 ZINC000028374706 561918973 /nfs/dbraw/zinc/91/89/73/561918973.db2.gz SDUQEHZORCVRMT-SBQVMTCPSA-N 0 0 519.708 4.091 1 0 KIAFRN CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cc4c(cc2c(-c2ccc(Cl)cc2)c1C3)OCO4 ZINC000028374805 561918927 /nfs/dbraw/zinc/91/89/27/561918927.db2.gz YTEMFWSDLINXNE-MHZLTWQESA-N 0 0 502.910 4.129 1 0 KIAFRN Cc1ccccc1CNC(=O)[C@@H]1N(C(=O)[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)CSC1(C)C ZINC000028374853 561919051 /nfs/dbraw/zinc/91/90/51/561919051.db2.gz JXBKSJFOHYUWPQ-QKMMQOFESA-N 0 0 603.785 4.076 1 0 KIAFRN Cc1ccccc1CNC(=O)[C@@H]1N(C(=O)[C@H](O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)CSC1(C)C ZINC000028374870 561919095 /nfs/dbraw/zinc/91/90/95/561919095.db2.gz JXBKSJFOHYUWPQ-BAAXXLTASA-N 0 0 603.785 4.076 1 0 KIAFRN O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2CN2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Cl)cn1 ZINC000028375687 561919210 /nfs/dbraw/zinc/91/92/10/561919210.db2.gz RNIJHAMGTJDJFY-NDEPHWFRSA-N 0 0 590.124 4.374 1 0 KIAFRN CC(C)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000028375880 561919240 /nfs/dbraw/zinc/91/92/40/561919240.db2.gz MKPLKVHSHYCHOC-GNEFKIEZSA-N 0 0 500.554 4.427 1 0 KIAFRN O=C(C[C@@H](NC(=O)c1ccc(-c2ccccc2CN2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Cl)cn1 ZINC000028376984 561919350 /nfs/dbraw/zinc/91/93/50/561919350.db2.gz RNIJHAMGTJDJFY-MUUNZHRXSA-N 0 0 590.124 4.374 1 0 KIAFRN O=C(C[C@H](NC(=O)c1ccc(-c2ccccc2CN2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028376999 561919403 /nfs/dbraw/zinc/91/94/03/561919403.db2.gz RNWIEKPBSGXHQY-NDEPHWFRSA-N 0 0 634.575 4.483 1 0 KIAFRN O=C(C[C@@H](NC(=O)c1ccc(-c2ccccc2CN2CCOCC2)cc1)C(=O)N1CCCCC1)Nc1ccc(Br)cn1 ZINC000028377008 561919418 /nfs/dbraw/zinc/91/94/18/561919418.db2.gz RNWIEKPBSGXHQY-MUUNZHRXSA-N 0 0 634.575 4.483 1 0 KIAFRN COc1ccc(N(Cc2nc3ccccc3c(=O)n2N2CCN(C)CC2)C(=O)Nc2cccc(Cl)c2)c(OC)c1 ZINC000028377321 561919573 /nfs/dbraw/zinc/91/95/73/561919573.db2.gz SVFTTXTUNZHAJQ-UHFFFAOYSA-N 0 0 563.058 4.189 1 0 KIAFRN O=C(CCN1CCN(CCO)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028378273 561919549 /nfs/dbraw/zinc/91/95/49/561919549.db2.gz NRVRWSKBMSBIES-UHFFFAOYSA-N 0 0 570.033 4.234 1 0 KIAFRN CCC(=O)OC[C@]1(C)[C@H](OC(=O)CC)CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3OC(=O)CC)[C@]3(CO3)CC[C@H]12 ZINC000028378436 561919706 /nfs/dbraw/zinc/91/97/06/561919706.db2.gz SVSFCRWMXLAUGS-BCNOSNJYSA-N 0 0 534.646 4.058 1 0 KIAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)Nc2ccccc2)cc1 ZINC000028378874 561919658 /nfs/dbraw/zinc/91/96/58/561919658.db2.gz BFVCDQDSARMQIK-HSZRJFAPSA-N 0 0 637.516 4.316 1 0 KIAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)Nc2ccccc2)cc1 ZINC000028378881 561919645 /nfs/dbraw/zinc/91/96/45/561919645.db2.gz BFVCDQDSARMQIK-QHCPKHFHSA-N 0 0 637.516 4.316 1 0 KIAFRN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)CN1CCOCC1 ZINC000028379163 561919802 /nfs/dbraw/zinc/91/98/02/561919802.db2.gz SUWXNTVLLYXJAC-OAHLLOKOSA-N 0 0 514.953 4.358 1 0 KIAFRN O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)CN1CCOCC1 ZINC000028379172 561919820 /nfs/dbraw/zinc/91/98/20/561919820.db2.gz SUWXNTVLLYXJAC-HNNXBMFYSA-N 0 0 514.953 4.358 1 0 KIAFRN CO[C@@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028379445 561919834 /nfs/dbraw/zinc/91/98/34/561919834.db2.gz XDUDPLJFZCFHHJ-BVAGGSTKSA-N 0 0 596.153 4.437 1 0 KIAFRN CN1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028379879 561919987 /nfs/dbraw/zinc/91/99/87/561919987.db2.gz DROAXDKMEJHTFB-UHFFFAOYSA-N 0 0 511.953 4.439 1 0 KIAFRN CC(C)COC(=O)N[C@H](C(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(-c2nn[nH]n2)cc1F)C(C)C ZINC000028380320 561919941 /nfs/dbraw/zinc/91/99/41/561919941.db2.gz DCTIRYQEVHXMIQ-NLALRGLNSA-N 0 0 724.801 4.148 1 0 KIAFRN CCC(=O)OC[C@]1(C)[C@H](OC(=O)CC)CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3OC(=O)CNC(=O)OC(C)(C)C)[C@]3(CO3)CC[C@H]12 ZINC000028380445 561919960 /nfs/dbraw/zinc/91/99/60/561919960.db2.gz YMBKMLMXPOTYNG-ILGNAAOTSA-N 0 0 635.751 4.173 1 0 KIAFRN C[C@H](c1nc2ccccc2c(=O)n1N1CCN(C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1F ZINC000028380581 561919933 /nfs/dbraw/zinc/91/99/33/561919933.db2.gz UYTZPZBOUDKPHW-GOSISDBHSA-N 0 0 536.558 4.497 1 0 KIAFRN C[C@@H](c1nc2ccccc2c(=O)n1N1CCN(C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccc(F)cc1F ZINC000028380589 561919950 /nfs/dbraw/zinc/91/99/50/561919950.db2.gz UYTZPZBOUDKPHW-SFHVURJKSA-N 0 0 536.558 4.497 1 0 KIAFRN NC(=O)Cc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028382932 561920505 /nfs/dbraw/zinc/92/05/05/561920505.db2.gz FYIMDESKIXVZCQ-JVPUTLAUSA-N 0 0 659.827 4.101 1 0 KIAFRN NC(=O)Cc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028382939 561920586 /nfs/dbraw/zinc/92/05/86/561920586.db2.gz FYIMDESKIXVZCQ-DHRIHLTOSA-N 0 0 659.827 4.101 1 0 KIAFRN COc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@@H](C)c1nc2ccccc2c(=O)n1N1CCN(C)CC1 ZINC000028383203 561920526 /nfs/dbraw/zinc/92/05/26/561920526.db2.gz GECKDOQOXMPHEM-FQEVSTJZSA-N 0 0 530.604 4.227 1 0 KIAFRN COc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@H](C)c1nc2ccccc2c(=O)n1N1CCN(C)CC1 ZINC000028383208 561920566 /nfs/dbraw/zinc/92/05/66/561920566.db2.gz GECKDOQOXMPHEM-HXUWFJFHSA-N 0 0 530.604 4.227 1 0 KIAFRN NC(=O)C1CCN(C(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)CC1 ZINC000028383365 561920463 /nfs/dbraw/zinc/92/04/63/561920463.db2.gz NPXXRJXMWXRGFS-UHFFFAOYSA-N 0 0 539.963 4.389 1 0 KIAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H]([NH3+])Cc2cc(F)c(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028383913 561920651 /nfs/dbraw/zinc/92/06/51/561920651.db2.gz RTCDYLCGLLQXOI-VVMVZBAXSA-N 0 0 585.570 4.039 1 0 KIAFRN CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028383920 561920632 /nfs/dbraw/zinc/92/06/32/561920632.db2.gz RTCDYLCGLLQXOI-FMNCTDSISA-N 0 0 585.570 4.039 1 0 KIAFRN COC(=O)Nc1ccc2nc([C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)n(N3CCN(C)CC3)c(=O)c2c1 ZINC000028384495 561920775 /nfs/dbraw/zinc/92/07/75/561920775.db2.gz KZFZDUHCUKJPJL-HXUWFJFHSA-N 0 0 633.681 4.414 1 0 KIAFRN COC(=O)Nc1ccc2nc([C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)n(N3CCN(C)CC3)c(=O)c2c1 ZINC000028384499 561920792 /nfs/dbraw/zinc/92/07/92/561920792.db2.gz KZFZDUHCUKJPJL-FQEVSTJZSA-N 0 0 633.681 4.414 1 0 KIAFRN COc1ccc(N(C(=O)c2ccc(Cl)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028384532 561920825 /nfs/dbraw/zinc/92/08/25/561920825.db2.gz DBCRSRSYXBMLOI-FQEVSTJZSA-N 0 0 562.070 4.359 1 0 KIAFRN COc1ccc(N(C(=O)c2ccc(Cl)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028384536 561920781 /nfs/dbraw/zinc/92/07/81/561920781.db2.gz DBCRSRSYXBMLOI-HXUWFJFHSA-N 0 0 562.070 4.359 1 0 KIAFRN COC(=O)c1ccc2c(c1)nc([C@@H](C)N(C(=O)Nc1ccc(F)cc1)c1cccc(OC)c1)n(N1CCN(C)CC1)c2=O ZINC000028384712 561920794 /nfs/dbraw/zinc/92/07/94/561920794.db2.gz DANSSTRGIDXROV-HXUWFJFHSA-N 0 0 588.640 4.014 1 0 KIAFRN COC(=O)c1ccc2c(c1)nc([C@H](C)N(C(=O)Nc1ccc(F)cc1)c1cccc(OC)c1)n(N1CCN(C)CC1)c2=O ZINC000028384716 561920783 /nfs/dbraw/zinc/92/07/83/561920783.db2.gz DANSSTRGIDXROV-FQEVSTJZSA-N 0 0 588.640 4.014 1 0 KIAFRN C[C@H](c1nc2ccccc2c(=O)n1N1CCN(C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000028384758 561920785 /nfs/dbraw/zinc/92/07/85/561920785.db2.gz CCDQJVDXWSZWCH-HXUWFJFHSA-N 0 0 500.578 4.219 1 0 KIAFRN C[C@@H](c1nc2ccccc2c(=O)n1N1CCN(C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000028384762 561920802 /nfs/dbraw/zinc/92/08/02/561920802.db2.gz CCDQJVDXWSZWCH-FQEVSTJZSA-N 0 0 500.578 4.219 1 0 KIAFRN CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@H]12 ZINC000028385016 561920909 /nfs/dbraw/zinc/92/09/09/561920909.db2.gz PJYUGMQDFKZFAB-KKUQBAQOSA-N 0 0 516.642 4.396 1 0 KIAFRN CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000028385022 561920903 /nfs/dbraw/zinc/92/09/03/561920903.db2.gz PJYUGMQDFKZFAB-GSDHBNRESA-N 0 0 516.642 4.396 1 0 KIAFRN CCC[C@H](NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028385189 561921007 /nfs/dbraw/zinc/92/10/07/561921007.db2.gz HXTMIBPLBAXENS-JTHGSUROSA-N 0 0 743.950 4.045 1 0 KIAFRN CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028385204 561920887 /nfs/dbraw/zinc/92/08/87/561920887.db2.gz HXTMIBPLBAXENS-JIQNWCPWSA-N 0 0 743.950 4.045 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(Cl)cc1 ZINC000028385832 561921068 /nfs/dbraw/zinc/92/10/68/561921068.db2.gz KVVCIDKVEWGLJL-BMFOWHTDSA-N 0 0 508.103 4.250 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CO1 ZINC000028386011 561921010 /nfs/dbraw/zinc/92/10/10/561921010.db2.gz NLTUFOYHNSWGQU-PHNAZJBWSA-N 0 0 608.640 4.234 1 0 KIAFRN CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cc4c(cc2c(-c2ccc(C(F)(F)F)cc2)c1C3)OCO4 ZINC000028386767 561921226 /nfs/dbraw/zinc/92/12/26/561921226.db2.gz WLSIGMVEGURPOY-MHZLTWQESA-N 0 0 536.462 4.494 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cc(F)ccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028387695 561921427 /nfs/dbraw/zinc/92/14/27/561921427.db2.gz CVIAXEZOVOUAPI-IBGZPJMESA-N 0 0 578.620 4.375 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc1OC ZINC000028387992 561921532 /nfs/dbraw/zinc/92/15/32/561921532.db2.gz MUCYMELBKSHOOY-FQEVSTJZSA-N 0 0 560.630 4.236 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc1OC ZINC000028387998 561921540 /nfs/dbraw/zinc/92/15/40/561921540.db2.gz MUCYMELBKSHOOY-HXUWFJFHSA-N 0 0 560.630 4.236 1 0 KIAFRN COc1cc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc(OC)c1OC ZINC000028388009 561921492 /nfs/dbraw/zinc/92/14/92/561921492.db2.gz AGSFFQFFLLTMPP-FQEVSTJZSA-N 0 0 590.656 4.245 1 0 KIAFRN COc1cc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc(OC)c1OC ZINC000028388014 561921496 /nfs/dbraw/zinc/92/14/96/561921496.db2.gz AGSFFQFFLLTMPP-HXUWFJFHSA-N 0 0 590.656 4.245 1 0 KIAFRN CNC(=O)NCCCC[C@H](NC(=O)OCC1(Cc2c(F)cccc2F)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028388046 561921547 /nfs/dbraw/zinc/92/15/47/561921547.db2.gz PHOYZFBMOQWHOV-NLFFAJNJSA-N 0 0 572.653 4.318 1 0 KIAFRN C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1 ZINC000028388050 561921526 /nfs/dbraw/zinc/92/15/26/561921526.db2.gz BSRQMYCWEZBYDT-YWEHKCAJSA-N 0 0 610.727 4.292 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3cccc(F)c3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388156 561921481 /nfs/dbraw/zinc/92/14/81/561921481.db2.gz NGNBDSMGHRWYQZ-IBGZPJMESA-N 0 0 578.620 4.375 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cccc(F)c3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388161 561921513 /nfs/dbraw/zinc/92/15/13/561921513.db2.gz NGNBDSMGHRWYQZ-LJQANCHMSA-N 0 0 578.620 4.375 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc(F)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388167 561921651 /nfs/dbraw/zinc/92/16/51/561921651.db2.gz PHHZQAMWSQCKLY-IBGZPJMESA-N 0 0 578.620 4.375 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc(F)cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388173 561921691 /nfs/dbraw/zinc/92/16/91/561921691.db2.gz PHHZQAMWSQCKLY-LJQANCHMSA-N 0 0 578.620 4.375 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3cc(F)ccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028388179 561921649 /nfs/dbraw/zinc/92/16/49/561921649.db2.gz CVIAXEZOVOUAPI-LJQANCHMSA-N 0 0 578.620 4.375 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 ZINC000028388531 561921643 /nfs/dbraw/zinc/92/16/43/561921643.db2.gz JDTDIXFLFPXHAN-UHFFFAOYSA-N 0 0 514.638 4.202 1 0 KIAFRN NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028388820 561921768 /nfs/dbraw/zinc/92/17/68/561921768.db2.gz MYZUTXFUCSGVDT-YSBXLBHBSA-N 0 0 645.800 4.172 1 0 KIAFRN NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)c1 ZINC000028388828 561921778 /nfs/dbraw/zinc/92/17/78/561921778.db2.gz MYZUTXFUCSGVDT-CXZKGOBISA-N 0 0 645.800 4.172 1 0 KIAFRN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@@H](O)CN1CCN(C(C)=O)CC1 ZINC000028389353 561921912 /nfs/dbraw/zinc/92/19/12/561921912.db2.gz CFOFPVFWPMHQNW-SFHVURJKSA-N 0 0 570.033 4.493 1 0 KIAFRN COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1SC[C@H](O)CN1CCN(C(C)=O)CC1 ZINC000028389360 561921967 /nfs/dbraw/zinc/92/19/67/561921967.db2.gz CFOFPVFWPMHQNW-GOSISDBHSA-N 0 0 570.033 4.493 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc1 ZINC000028389815 561921962 /nfs/dbraw/zinc/92/19/62/561921962.db2.gz GKCLMPNKUYHIPK-FQEVSTJZSA-N 0 0 530.604 4.227 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc1 ZINC000028389820 561921945 /nfs/dbraw/zinc/92/19/45/561921945.db2.gz GKCLMPNKUYHIPK-HXUWFJFHSA-N 0 0 530.604 4.227 1 0 KIAFRN COc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390632 561922115 /nfs/dbraw/zinc/92/21/15/561922115.db2.gz XHBAPWKCPDDIRT-FQEVSTJZSA-N 0 0 562.070 4.359 1 0 KIAFRN COc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028390637 561922089 /nfs/dbraw/zinc/92/20/89/561922089.db2.gz XHBAPWKCPDDIRT-HXUWFJFHSA-N 0 0 562.070 4.359 1 0 KIAFRN COc1ccc(NC(=O)N(c2ccc(OC)cc2OC)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc1 ZINC000028390679 561922119 /nfs/dbraw/zinc/92/21/19/561922119.db2.gz YPAHUBDALMGTHW-NRFANRHFSA-N 0 0 572.666 4.105 1 0 KIAFRN COc1ccc(NC(=O)N(c2ccc(OC)cc2OC)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)cc1 ZINC000028390685 561922121 /nfs/dbraw/zinc/92/21/21/561922121.db2.gz YPAHUBDALMGTHW-OAQYLSRUSA-N 0 0 572.666 4.105 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(C)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028391171 561922217 /nfs/dbraw/zinc/92/22/17/561922217.db2.gz SHEJATWAFFDQMS-QFIPXVFZSA-N 0 0 556.667 4.405 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(C)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028391177 561922239 /nfs/dbraw/zinc/92/22/39/561922239.db2.gz SHEJATWAFFDQMS-JOCHJYFZSA-N 0 0 556.667 4.405 1 0 KIAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028391585 561922352 /nfs/dbraw/zinc/92/23/52/561922352.db2.gz HUBMFCUEIVDDSO-FQEVSTJZSA-N 0 0 530.604 4.227 1 0 KIAFRN COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028391590 561922334 /nfs/dbraw/zinc/92/23/34/561922334.db2.gz HUBMFCUEIVDDSO-HXUWFJFHSA-N 0 0 530.604 4.227 1 0 KIAFRN COc1cc(OC)c(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028391596 561922356 /nfs/dbraw/zinc/92/23/56/561922356.db2.gz ATWNBKGTYGNLGF-FQEVSTJZSA-N 0 0 590.656 4.245 1 0 KIAFRN COc1cc(OC)c(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028391602 561922341 /nfs/dbraw/zinc/92/23/41/561922341.db2.gz ATWNBKGTYGNLGF-HXUWFJFHSA-N 0 0 590.656 4.245 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(C)c(C)c1 ZINC000028391980 561922545 /nfs/dbraw/zinc/92/25/45/561922545.db2.gz GEGQLUKUTCSFHJ-SOLWDGIASA-N 0 0 501.712 4.214 1 0 KIAFRN CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc([N-]S(=O)(=O)c4ccc(Br)s4)c3)c[nH]c21 ZINC000028392025 561922513 /nfs/dbraw/zinc/92/25/13/561922513.db2.gz WYKXEIYTRGBZEI-IBGZPJMESA-N 0 0 598.566 4.062 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nnc(-c5ccc(C(F)(F)F)cc5)o4)CC3)ccc2s1 ZINC000028392156 561922475 /nfs/dbraw/zinc/92/24/75/561922475.db2.gz YVINUCTXLVXVHS-LJQANCHMSA-N 0 0 533.576 4.231 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000028392316 561922530 /nfs/dbraw/zinc/92/25/30/561922530.db2.gz MXBVGHFRPXPRKM-UHFFFAOYSA-N 0 0 514.638 4.202 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 ZINC000028392466 561922549 /nfs/dbraw/zinc/92/25/49/561922549.db2.gz CCNMGGCEWSMFAI-NDEPHWFRSA-N 0 0 529.102 4.283 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2CCCN(CC[C@@](O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 ZINC000028392625 561922601 /nfs/dbraw/zinc/92/26/01/561922601.db2.gz NOOLGAZVGRTVEZ-MUUNZHRXSA-N 0 0 529.102 4.283 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4noc(-c5ccc(C(C)C)cc5)n4)CC3)ccc2s1 ZINC000028392773 561922634 /nfs/dbraw/zinc/92/26/34/561922634.db2.gz ZNMQOIGIWXNDAH-JOCHJYFZSA-N 0 0 507.660 4.336 1 0 KIAFRN CCc1cccc(C(C)(C)[C@H]([NH2+]C)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)c1 ZINC000028393031 561922631 /nfs/dbraw/zinc/92/26/31/561922631.db2.gz DCMKGHBBBBUFAJ-NKFIOLHFSA-N 0 0 501.712 4.159 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(Cl)c1 ZINC000028393105 561922661 /nfs/dbraw/zinc/92/26/61/561922661.db2.gz OJNVNSUVFJBDOZ-ZYRIPLEJSA-N 0 0 508.103 4.250 1 0 KIAFRN O=C([C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)CC(F)(F)F)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028393157 561922590 /nfs/dbraw/zinc/92/25/90/561922590.db2.gz NKLCOMWMFXMEHP-RUZDIDTESA-N 0 0 629.170 4.475 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2C[C@@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028393235 561922598 /nfs/dbraw/zinc/92/25/98/561922598.db2.gz KEFPSVGFDUVLLS-GAEBJGTQSA-N 0 0 681.855 4.323 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028393245 561922615 /nfs/dbraw/zinc/92/26/15/561922615.db2.gz KEFPSVGFDUVLLS-PHPRYWTDSA-N 0 0 681.855 4.323 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2C[C@@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028393253 561922670 /nfs/dbraw/zinc/92/26/70/561922670.db2.gz KEFPSVGFDUVLLS-NTGQVKCDSA-N 0 0 681.855 4.323 1 0 KIAFRN CS(=O)(=O)c1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)C2=O)cc1 ZINC000028393261 561922665 /nfs/dbraw/zinc/92/26/65/561922665.db2.gz KEFPSVGFDUVLLS-MQMCASKGSA-N 0 0 681.855 4.323 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(Br)c1 ZINC000028393883 561922778 /nfs/dbraw/zinc/92/27/78/561922778.db2.gz SHCSFCZXLYKOQM-ZYRIPLEJSA-N 0 0 552.554 4.360 1 0 KIAFRN Cc1nc2cc(OC[C@H](O)CN3CCN(Cc4nc(-c5ccc(C(C)C)cc5)no4)CC3)ccc2s1 ZINC000028394179 561922783 /nfs/dbraw/zinc/92/27/83/561922783.db2.gz ILNJIQZGGVHSFH-JOCHJYFZSA-N 0 0 507.660 4.336 1 0 KIAFRN CCOC(=O)N1C[C@H](O)[C@@H](OC(=O)NCc2ccccc2-c2ccccc2)[C@H]1Cc1ccc(OC)cc1 ZINC000028394498 561922968 /nfs/dbraw/zinc/92/29/68/561922968.db2.gz LIRSMDBPTDXFDL-PVHODMMVSA-N 0 0 504.583 4.401 1 0 KIAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccncc2)C[C@@H]1Cc1ccccc1 ZINC000028394664 561922913 /nfs/dbraw/zinc/92/29/13/561922913.db2.gz DXWPIROKDWNAHC-ISWVPUIOSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccncc2)C[C@H]1Cc1ccccc1 ZINC000028394671 561922963 /nfs/dbraw/zinc/92/29/63/561922963.db2.gz DXWPIROKDWNAHC-DLMQWBNLSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccncc2)C[C@H]1Cc1ccccc1 ZINC000028394681 561922882 /nfs/dbraw/zinc/92/28/82/561922882.db2.gz DXWPIROKDWNAHC-FFWRVQFCSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(c1cc(Cl)nc(Cl)c1)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028395133 561922876 /nfs/dbraw/zinc/92/28/76/561922876.db2.gz BEKDJVBFUIBALF-GOSISDBHSA-N 0 0 517.394 4.047 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@H](Cc2cccnc2)C[C@@H]1Cc1ccccc1 ZINC000028395290 561923047 /nfs/dbraw/zinc/92/30/47/561923047.db2.gz KONRRMAJECBXQJ-YCRFLMHJSA-N 0 0 603.763 4.468 1 0 KIAFRN 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561923055 /nfs/dbraw/zinc/92/30/55/561923055.db2.gz HLIQLUBLCWNUIK-ISWVPUIOSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccnc2)C[C@H]1Cc1ccccc1 ZINC000028395910 561922992 /nfs/dbraw/zinc/92/29/92/561922992.db2.gz HLIQLUBLCWNUIK-DLMQWBNLSA-N 0 0 604.751 4.315 1 0 KIAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2cccnc2)C[C@H]1Cc1ccccc1 ZINC000028395917 561923028 /nfs/dbraw/zinc/92/30/28/561923028.db2.gz HLIQLUBLCWNUIK-FFWRVQFCSA-N 0 0 604.751 4.315 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])Cc1ccccc1)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028396408 561923158 /nfs/dbraw/zinc/92/31/58/561923158.db2.gz GAVQDHXSPWAMJP-YRVXYSIBSA-N 0 0 521.702 4.184 1 0 KIAFRN O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)N(Cc2ccccn2)C[C@@H]1Cc1ccccc1 ZINC000028396412 561923196 /nfs/dbraw/zinc/92/31/96/561923196.db2.gz CAZKSSYEWOLGBU-LPANQVQLSA-N 0 0 604.751 4.315 1 0 KIAFRN 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Cc1cc(-n2ccnc2)cc2nc(-c3c(=O)[nH]ccc3NC[C@H](O)c3cccc(Br)c3)[nH]c21 ZINC000028703505 561947760 /nfs/dbraw/zinc/94/77/60/561947760.db2.gz SQNXDJMPLAKIID-FQEVSTJZSA-N 0 0 505.376 4.320 1 0 KIAFRN O=C(NCCCn1ccnc1)OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704171 561948440 /nfs/dbraw/zinc/94/84/40/561948440.db2.gz USBVEDXPQQBCKJ-OAQYLSRUSA-N 0 0 503.024 4.253 1 0 KIAFRN O=C(NCCCn1ccnc1)OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704174 561948371 /nfs/dbraw/zinc/94/83/71/561948371.db2.gz USBVEDXPQQBCKJ-NRFANRHFSA-N 0 0 503.024 4.253 1 0 KIAFRN O=C(NCCCn1ccnc1)OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028704279 561948573 /nfs/dbraw/zinc/94/85/73/561948573.db2.gz PFBWHSMRQDVUIR-GGAORHGYSA-N 0 0 503.024 4.247 1 0 KIAFRN CCCN(CCC)C(=O)c1cc(C(=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000028705244 561949038 /nfs/dbraw/zinc/94/90/38/561949038.db2.gz SGXPAUVERYLCOT-XZWHSSHBSA-N 0 0 575.706 4.147 1 0 KIAFRN CCNC(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705608 561948976 /nfs/dbraw/zinc/94/89/76/561948976.db2.gz USVYTPWVNKIUNR-OAQYLSRUSA-N 0 0 617.682 4.336 1 0 KIAFRN CCNC(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705611 561948981 /nfs/dbraw/zinc/94/89/81/561948981.db2.gz USVYTPWVNKIUNR-NRFANRHFSA-N 0 0 617.682 4.336 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000028705633 561949133 /nfs/dbraw/zinc/94/91/33/561949133.db2.gz USSOIXUCEOLILT-ZTOMLWHTSA-N 0 0 644.704 4.312 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(OC)c1 ZINC000028705636 561949127 /nfs/dbraw/zinc/94/91/27/561949127.db2.gz USSOIXUCEOLILT-MNNSJKJDSA-N 0 0 644.704 4.312 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000028705639 561949135 /nfs/dbraw/zinc/94/91/35/561949135.db2.gz USSOIXUCEOLILT-PZGXJGMVSA-N 0 0 644.704 4.312 1 0 KIAFRN COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H]3CCCO3)CC2)c(OC)c1 ZINC000028705642 561949136 /nfs/dbraw/zinc/94/91/36/561949136.db2.gz USSOIXUCEOLILT-KPURRNSFSA-N 0 0 644.704 4.312 1 0 KIAFRN COC(=O)N(C)[C@@H](C)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705740 561949285 /nfs/dbraw/zinc/94/92/85/561949285.db2.gz SAIBSQHAFGSCGI-PKTZIBPZSA-N 0 0 689.745 4.219 1 0 KIAFRN COC(=O)N(C)[C@@H](C)C(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705743 561949253 /nfs/dbraw/zinc/94/92/53/561949253.db2.gz SAIBSQHAFGSCGI-GOTSBHOMSA-N 0 0 689.745 4.219 1 0 KIAFRN COC(=O)N[C@@H]1CCN(C(=O)N2CCN(n3c(=O)c4ccccc4nc3[C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)CC2)C1 ZINC000028705766 561949255 /nfs/dbraw/zinc/94/92/55/561949255.db2.gz CMZISWXQFVHMOI-ZEQKJWHPSA-N 0 0 716.771 4.156 1 0 KIAFRN COC(=O)N[C@@H]1CCN(C(=O)N2CCN(n3c(=O)c4ccccc4nc3[C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)CC2)C1 ZINC000028705769 561949300 /nfs/dbraw/zinc/94/93/00/561949300.db2.gz CMZISWXQFVHMOI-JYFHCDHNSA-N 0 0 716.771 4.156 1 0 KIAFRN COC(=O)N[C@H]1CCN(C(=O)N2CCN(n3c(=O)c4ccccc4nc3[C@@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)CC2)C1 ZINC000028705772 561949297 /nfs/dbraw/zinc/94/92/97/561949297.db2.gz CMZISWXQFVHMOI-BVAGGSTKSA-N 0 0 716.771 4.156 1 0 KIAFRN COC(=O)N[C@H]1CCN(C(=O)N2CCN(n3c(=O)c4ccccc4nc3[C@H](C)N(C(=O)Nc3ccc(F)cc3)c3ccc(OC)cc3OC)CC2)C1 ZINC000028705775 561949274 /nfs/dbraw/zinc/94/92/74/561949274.db2.gz CMZISWXQFVHMOI-OZXSUGGESA-N 0 0 716.771 4.156 1 0 KIAFRN Cc1cc(Nc2ncnc3cnc(N4CCOCC4)cc32)ccc1OC1CCN(C(=O)C2CCCC2)CC1 ZINC000028706412 561949747 /nfs/dbraw/zinc/94/97/47/561949747.db2.gz GSUCDZWFLIUUSV-UHFFFAOYSA-N 0 0 516.646 4.473 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)c4cccc(OC)c4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706563 561949711 /nfs/dbraw/zinc/94/97/11/561949711.db2.gz KIPGDUQBBQHQDW-RPBOFIJWSA-N 0 0 510.612 4.061 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cccc(OC)c4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706565 561949748 /nfs/dbraw/zinc/94/97/48/561949748.db2.gz IUMGQZXSKADXGR-RPBOFIJWSA-N 0 0 510.612 4.061 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)CCNc4ccccc4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706580 561949746 /nfs/dbraw/zinc/94/97/46/561949746.db2.gz QKIYRCPRFNAXAQ-IZLXSDGUSA-N 0 0 551.709 4.375 1 0 KIAFRN CC1(C)Oc2ccc(C(=O)NCCc3ccccc3)cc2[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H]1O ZINC000028706617 561949780 /nfs/dbraw/zinc/94/97/80/561949780.db2.gz ILUSBUCMQFNCGG-RPWUZVMVSA-N 0 0 548.583 4.229 1 0 KIAFRN CC1(C)Oc2ccc(C(=O)NCCc3ccccc3)cc2[C@@H](NS(=O)(=O)c2ccccc2OC(F)(F)F)[C@@H]1O ZINC000028706660 561949827 /nfs/dbraw/zinc/94/98/27/561949827.db2.gz FTXHDGBKIZXPRJ-RPWUZVMVSA-N 0 0 564.582 4.109 1 0 KIAFRN CCc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)[C@@H]2c3cc(C(=O)NCCc4ccccc4)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706754 561949840 /nfs/dbraw/zinc/94/98/40/561949840.db2.gz ICGQHBWRNYOVPM-IHLOFXLRSA-N 0 0 588.730 4.409 1 0 KIAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(C(c2cccc(Cl)c2)c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000028707195 561949973 /nfs/dbraw/zinc/94/99/73/561949973.db2.gz HOJPKYYAHGUTRJ-GOSISDBHSA-N 0 0 503.386 4.213 1 0 KIAFRN NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000028707198 561949952 /nfs/dbraw/zinc/94/99/52/561949952.db2.gz LGKIITYELNYMBN-GOSISDBHSA-N 0 0 503.386 4.213 1 0 KIAFRN Cc1c(O)ccc2cc(NC(=O)c3cccc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)c3)c(=O)oc12 ZINC000028708410 561950431 /nfs/dbraw/zinc/95/04/31/561950431.db2.gz STEQDZIBMDBHLC-UHFFFAOYSA-N 0 0 512.474 4.432 1 0 KIAFRN CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12 ZINC000028708669 561950406 /nfs/dbraw/zinc/95/04/06/561950406.db2.gz GGLVPRNAEJAPJX-UHFFFAOYSA-N 0 0 524.408 4.140 1 0 KIAFRN CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCc4c(ncnc4-c4ccc(F)cc4F)C3)cc12 ZINC000028708673 561950411 /nfs/dbraw/zinc/95/04/11/561950411.db2.gz RYXYWAJJDZLEOT-UHFFFAOYSA-N 0 0 537.954 4.036 1 0 KIAFRN CCCCn1c2[nH]c(Cc3ccc(NS(=O)(=O)Cc4ccccc4)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000028708810 561950422 /nfs/dbraw/zinc/95/04/22/561950422.db2.gz MYXWAXVSMZAIJW-UHFFFAOYSA-N 0 0 575.666 4.407 1 0 KIAFRN CCCCn1c2[nH]c(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c(=O)n(Cc2ccccc2F)c1=O ZINC000028708812 561950451 /nfs/dbraw/zinc/95/04/51/561950451.db2.gz AFGRQQIJWPUNJH-UHFFFAOYSA-N 0 0 561.639 4.265 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@@]1(=O)OCC[C@@H](c3ccc(Cl)c(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710264 561951289 /nfs/dbraw/zinc/95/12/89/561951289.db2.gz BSSNAZJPBXYGRN-CPOMBGILSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@]1(=O)OCC[C@@H](c3ccc(Cl)c(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710265 561951265 /nfs/dbraw/zinc/95/12/65/561951265.db2.gz BSSNAZJPBXYGRN-QRPOCGTOSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@@]1(=O)OCC[C@H](c3ccc(Cl)c(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710266 561951260 /nfs/dbraw/zinc/95/12/60/561951260.db2.gz BSSNAZJPBXYGRN-XLCAPLSUSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@]1(=O)OCC[C@H](c3ccc(Cl)c(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710267 561951325 /nfs/dbraw/zinc/95/13/25/561951325.db2.gz BSSNAZJPBXYGRN-FPGVIEJPSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@@]1(=O)OCC[C@@H](c3cc(Cl)cc(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710268 561951338 /nfs/dbraw/zinc/95/13/38/561951338.db2.gz DITFTJNKYDGTCL-CPOMBGILSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@]1(=O)OCC[C@@H](c3cc(Cl)cc(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710269 561951327 /nfs/dbraw/zinc/95/13/27/561951327.db2.gz DITFTJNKYDGTCL-QRPOCGTOSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@@]1(=O)OCC[C@H](c3cc(Cl)cc(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710270 561951344 /nfs/dbraw/zinc/95/13/44/561951344.db2.gz DITFTJNKYDGTCL-XLCAPLSUSA-N 0 0 572.298 4.210 1 0 KIAFRN C[C@@]12OC(=O)O[C@@H]1[C@@H](CO[P@]1(=O)OCC[C@H](c3cc(Cl)cc(Cl)c3)O1)O[C@H]2n1cnc2c1ncnc2N ZINC000028710271 561951324 /nfs/dbraw/zinc/95/13/24/561951324.db2.gz DITFTJNKYDGTCL-FPGVIEJPSA-N 0 0 572.298 4.210 1 0 KIAFRN COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCCN5CCOCC5)nc4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710606 561951552 /nfs/dbraw/zinc/95/15/52/561951552.db2.gz HCKRXHOVWPVNJZ-UHFFFAOYSA-N 0 0 677.828 4.500 1 0 KIAFRN CCCCN(CCCC)c1nc(NCCO)nc2c1nc(NCCO)nc2N(CCCC)CCCC ZINC000028710633 561951623 /nfs/dbraw/zinc/95/16/23/561951623.db2.gz MROWCGKFRVUCTO-UHFFFAOYSA-N 0 0 504.724 4.041 1 0 KIAFRN OCCN(CCO)c1nc2c(nc(N(CCO)CCO)nc2N(Cc2ccccc2)Cc2ccccc2)c(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000028710642 561951625 /nfs/dbraw/zinc/95/16/25/561951625.db2.gz JDORZGRCFFBCHE-UHFFFAOYSA-N 0 0 728.898 4.415 1 0 KIAFRN CCOCCN(CCOCC)c1nc2c(nc(N(CCOCC)CCOCC)nc2N2CCCCC2)c(N2CCCCC2)n1 ZINC000028710702 561951729 /nfs/dbraw/zinc/95/17/29/561951729.db2.gz AOBJTQWTURSZHV-UHFFFAOYSA-N 0 0 616.852 4.159 1 0 KIAFRN CCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)[C@@H](O)[C@@]1(C)O ZINC000028711183 561951782 /nfs/dbraw/zinc/95/17/82/561951782.db2.gz MJPPZERFIMFKSX-BKLYGQPDSA-N 0 0 610.004 4.311 1 0 KIAFRN CCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)[C@@H](O)[C@@]1(C)O ZINC000028711184 561951784 /nfs/dbraw/zinc/95/17/84/561951784.db2.gz MJPPZERFIMFKSX-HEWQCKBUSA-N 0 0 610.004 4.311 1 0 KIAFRN CCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)[C@@H](O)[C@@]1(C)O ZINC000028711185 561951804 /nfs/dbraw/zinc/95/18/04/561951804.db2.gz MJPPZERFIMFKSX-PMECOXFFSA-N 0 0 610.004 4.311 1 0 KIAFRN CCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)[C@@H](O)[C@@]1(C)O ZINC000028711186 561951806 /nfs/dbraw/zinc/95/18/06/561951806.db2.gz MJPPZERFIMFKSX-GIOGXBSXSA-N 0 0 610.004 4.311 1 0 KIAFRN CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)O1)C(C)C ZINC000028711199 561951776 /nfs/dbraw/zinc/95/17/76/561951776.db2.gz LLSDCSYISTWPMW-QDNWXXHKSA-N 0 0 682.740 4.397 1 0 KIAFRN O=C(Cc1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000028711208 561951771 /nfs/dbraw/zinc/95/17/71/561951771.db2.gz RWBIVIUXFGDQLF-JSRYUEOTSA-N 0 0 635.717 4.189 1 0 KIAFRN CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1C ZINC000028711375 561951965 /nfs/dbraw/zinc/95/19/65/561951965.db2.gz BLRUJASUUSHZAZ-DRWUBOAHSA-N 0 0 591.749 4.449 1 0 KIAFRN CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1C ZINC000028711377 561951967 /nfs/dbraw/zinc/95/19/67/561951967.db2.gz UYWZXPNZOMVPHP-DRWUBOAHSA-N 0 0 591.749 4.449 1 0 KIAFRN CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C ZINC000028711378 561951974 /nfs/dbraw/zinc/95/19/74/561951974.db2.gz NXXPWTMOMCWMPK-BRCQKJOASA-N 0 0 577.722 4.059 1 0 KIAFRN CN(C(=O)c1cc2ccccc2s1)C1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCCC1 ZINC000028711596 561952038 /nfs/dbraw/zinc/95/20/38/561952038.db2.gz DNEUGVXAWSDVJO-HHHXNRCGSA-N 0 0 590.790 4.242 1 0 KIAFRN O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=S)Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC000028711608 561952204 /nfs/dbraw/zinc/95/22/04/561952204.db2.gz CVURWAPIHYSXSB-RUZDIDTESA-N 0 0 606.620 4.159 1 0 KIAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1ccc(-c2ccccc2)s1 ZINC000028711617 561952186 /nfs/dbraw/zinc/95/21/86/561952186.db2.gz PQYCMTFNJKGIIP-HHHXNRCGSA-N 0 0 588.774 4.024 1 0 KIAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2c(cccc2Cl)s1 ZINC000028711691 561952354 /nfs/dbraw/zinc/95/23/54/561952354.db2.gz XPTKYCXAIGZREM-RUZDIDTESA-N 0 0 597.181 4.163 1 0 KIAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cc(Cl)ccc2s1 ZINC000028711692 561952333 /nfs/dbraw/zinc/95/23/33/561952333.db2.gz DVEZRJMAJLAJHO-RUZDIDTESA-N 0 0 597.181 4.163 1 0 KIAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccc(Cl)cc2s1 ZINC000028711693 561952292 /nfs/dbraw/zinc/95/22/92/561952292.db2.gz FVLPYPJFTZMMIJ-RUZDIDTESA-N 0 0 597.181 4.163 1 0 KIAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cccc(Cl)c2s1 ZINC000028711694 561952286 /nfs/dbraw/zinc/95/22/86/561952286.db2.gz JGPVMVGMLHDLCW-RUZDIDTESA-N 0 0 597.181 4.163 1 0 KIAFRN O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1sc2ccccc2c1Cl ZINC000028711695 561952373 /nfs/dbraw/zinc/95/23/73/561952373.db2.gz VNAHOPJAVRNAKH-XMMPIXPASA-N 0 0 597.181 4.163 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1[nH]nc(NC(=O)c2ccccc2F)c1Br ZINC000028711975 561952632 /nfs/dbraw/zinc/95/26/32/561952632.db2.gz YXSTXRFNEUXQIX-QHCPKHFHSA-N 0 0 561.371 4.109 1 0 KIAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1[nH]nc(NC(=O)c2ccccc2F)c1Br ZINC000028711976 561952567 /nfs/dbraw/zinc/95/25/67/561952567.db2.gz YXSTXRFNEUXQIX-HSZRJFAPSA-N 0 0 561.371 4.109 1 0 KIAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000028712794 561953275 /nfs/dbraw/zinc/95/32/75/561953275.db2.gz MNUOBIWENBHCHD-CHQNGUEUSA-N 0 0 621.738 4.343 1 0 KIAFRN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(I)c(-c2nc3cc(C)c(C)cc3[nH]2)c(I)c1 ZINC000028712799 561953467 /nfs/dbraw/zinc/95/34/67/561953467.db2.gz WBHDUINWRBPWIT-IBGZPJMESA-N 0 0 669.261 4.293 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1O)C(=O)OC ZINC000028712819 561953500 /nfs/dbraw/zinc/95/35/00/561953500.db2.gz ATTFTEBGKPAXMR-KXXXHFJOSA-N 0 0 522.646 4.401 1 0 KIAFRN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1O ZINC000028712821 561953455 /nfs/dbraw/zinc/95/34/55/561953455.db2.gz ZUYNXVUQUGSGHN-ZFNDORMUSA-N 0 0 716.795 4.486 1 0 KIAFRN CCCCCCNC(=O)C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC)OCO3 ZINC000028712888 561953447 /nfs/dbraw/zinc/95/34/47/561953447.db2.gz GTRVPRYFUPNDMD-CLJLJLNGSA-N 0 0 525.598 4.456 1 0 KIAFRN COC(=O)[C@@H]1C(C(=O)Nc2ccccc2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028712890 561953489 /nfs/dbraw/zinc/95/34/89/561953489.db2.gz BMFBJSDZMZGZNJ-CLJLJLNGSA-N 0 0 517.534 4.398 1 0 KIAFRN COC(=O)[C@@H]1C(C(=O)Nc2cc(OC)c(OC)c(OC)c2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028712893 561953449 /nfs/dbraw/zinc/95/34/49/561953449.db2.gz NNMXJNWPEBSCOR-VSGBNLITSA-N 0 0 607.612 4.424 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1Cl ZINC000028713025 561953569 /nfs/dbraw/zinc/95/35/69/561953569.db2.gz IDMZIBZGPBRQTC-NDEPHWFRSA-N 0 0 571.003 4.311 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1Cl ZINC000028713026 561953640 /nfs/dbraw/zinc/95/36/40/561953640.db2.gz IDMZIBZGPBRQTC-MUUNZHRXSA-N 0 0 571.003 4.311 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000028713027 561953648 /nfs/dbraw/zinc/95/36/48/561953648.db2.gz FPFXPMBDLAYAJE-NDEPHWFRSA-N 0 0 571.003 4.311 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1cccc(Cl)c1 ZINC000028713028 561953620 /nfs/dbraw/zinc/95/36/20/561953620.db2.gz FPFXPMBDLAYAJE-MUUNZHRXSA-N 0 0 571.003 4.311 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000028713029 561953565 /nfs/dbraw/zinc/95/35/65/561953565.db2.gz WISOPSSQWPWRPW-NDEPHWFRSA-N 0 0 571.003 4.311 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC000028713030 561953603 /nfs/dbraw/zinc/95/36/03/561953603.db2.gz WISOPSSQWPWRPW-MUUNZHRXSA-N 0 0 571.003 4.311 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1Br ZINC000028713033 561953586 /nfs/dbraw/zinc/95/35/86/561953586.db2.gz PJWSCDIYXMIWDW-NDEPHWFRSA-N 0 0 615.454 4.420 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1Br ZINC000028713034 561953573 /nfs/dbraw/zinc/95/35/73/561953573.db2.gz PJWSCDIYXMIWDW-MUUNZHRXSA-N 0 0 615.454 4.420 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1cccc(Br)c1 ZINC000028713035 561953611 /nfs/dbraw/zinc/95/36/11/561953611.db2.gz GTDDNCGQRXFHIS-NDEPHWFRSA-N 0 0 615.454 4.420 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1cccc(Br)c1 ZINC000028713036 561953635 /nfs/dbraw/zinc/95/36/35/561953635.db2.gz GTDDNCGQRXFHIS-MUUNZHRXSA-N 0 0 615.454 4.420 1 0 KIAFRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c(C)c1 ZINC000028713045 561953644 /nfs/dbraw/zinc/95/36/44/561953644.db2.gz KIZRNVWJORLXBH-SSEXGKCCSA-N 0 0 564.612 4.275 1 0 KIAFRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c(C)c1 ZINC000028713046 561953632 /nfs/dbraw/zinc/95/36/32/561953632.db2.gz KIZRNVWJORLXBH-PMERELPUSA-N 0 0 564.612 4.275 1 0 KIAFRN 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1 0 KIAFRN CC1([C@@H](C(=O)OCc2ccccc2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)OCCO1 ZINC000028713298 561953911 /nfs/dbraw/zinc/95/39/11/561953911.db2.gz SVRROAFHVMFZDD-AHRFURGPSA-N 0 0 568.626 4.348 1 0 KIAFRN CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)C1CC1 ZINC000028714053 561954618 /nfs/dbraw/zinc/95/46/18/561954618.db2.gz AUPUISUFWLRHDJ-MXWLWILKSA-N 0 0 649.836 4.140 1 0 KIAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccco2)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1 ZINC000028714432 561955041 /nfs/dbraw/zinc/95/50/41/561955041.db2.gz YGJUWPJFQDTWFS-FALCZEPVSA-N 0 0 626.611 4.102 1 0 KIAFRN CCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 ZINC000028714436 561955141 /nfs/dbraw/zinc/95/51/41/561955141.db2.gz FOPXXSNSOUZYTD-XEUMRDSQSA-N 0 0 574.623 4.079 1 0 KIAFRN 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CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C[C@@](C)(O)[C@]13OC(C)(C)[C@H](C(=O)[C@H]2OC(=O)c1ccccc1)[C@H]3OC(C)=O ZINC000028714512 561955207 /nfs/dbraw/zinc/95/52/07/561955207.db2.gz UNXHKUBBGHPHHO-MBXJAUQFSA-N 0 0 728.747 4.046 1 0 KIAFRN CC(=O)O[C@@H]1C[C@@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3 ZINC000028714516 561955270 /nfs/dbraw/zinc/95/52/70/561955270.db2.gz ZKNFRNMQEHOVJP-XAAUVGDWSA-N 0 0 536.621 4.488 1 0 KIAFRN C[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@]2(C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@H]3C[C@]12OC3(C)C ZINC000028714519 561955250 /nfs/dbraw/zinc/95/52/50/561955250.db2.gz KIKMHSYUECQPAT-LIGCDIBHSA-N 0 0 520.622 4.173 1 0 KIAFRN CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](OC(C)=O)[C@H](OC(=O)c4cccnc4)[C@@](C)(O)[C@@]13OC2(C)C ZINC000028714522 561955204 /nfs/dbraw/zinc/95/52/04/561955204.db2.gz BILLVHCBRMUWHZ-JYFWMKORSA-N 0 0 715.752 4.260 1 0 KIAFRN 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Cc1cccc(Cc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)no2)c1 ZINC000028755316 561955501 /nfs/dbraw/zinc/95/55/01/561955501.db2.gz LXHVEKHVIYKCLN-MYKRZTLLSA-N 0 0 603.720 4.234 1 0 KIAFRN CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[nH]n5)cc4)c3c2)CCC1=O ZINC000028755519 561955575 /nfs/dbraw/zinc/95/55/75/561955575.db2.gz DMFOCHQSMRMIAV-UHFFFAOYSA-N 0 0 573.661 4.224 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2ccc(Cl)cc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028756321 561956154 /nfs/dbraw/zinc/95/61/54/561956154.db2.gz LLRLIIOQJHJNCZ-UHFFFAOYSA-N 0 0 591.886 4.477 1 0 KIAFRN CCOc1cc2cc(C(=O)N3CCN(CCO)CC3)c(C(=O)OC)c(-c3cc(Br)c(OC)c(OC)c3)c2cc1OC ZINC000028756690 561956419 /nfs/dbraw/zinc/95/64/19/561956419.db2.gz CBNVDUFLBYGPJT-UHFFFAOYSA-N 0 0 631.520 4.231 1 0 KIAFRN C[C@@H]1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 ZINC000028757124 561956713 /nfs/dbraw/zinc/95/67/13/561956713.db2.gz JFKKZPKIWBQQMN-HXUWFJFHSA-N 0 0 587.688 4.470 1 0 KIAFRN C[C@H]1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2c1 ZINC000028757127 561956665 /nfs/dbraw/zinc/95/66/65/561956665.db2.gz JFKKZPKIWBQQMN-FQEVSTJZSA-N 0 0 587.688 4.470 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCC(CO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000028757180 561956670 /nfs/dbraw/zinc/95/66/70/561956670.db2.gz QHDLEZLGYAPVBX-UHFFFAOYSA-N 0 0 553.608 4.181 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(Cl)cc(Cl)c1 ZINC000028757189 561956725 /nfs/dbraw/zinc/95/67/25/561956725.db2.gz KRKXWCRADHOFFQ-UHFFFAOYSA-N 0 0 547.435 4.368 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCC(=O)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000028757375 561956862 /nfs/dbraw/zinc/95/68/62/561956862.db2.gz VXCYZQMKOKQJGU-UHFFFAOYSA-N 0 0 537.565 4.142 1 0 KIAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCCc2cccc(Cl)c2)C1=O ZINC000028757650 561956971 /nfs/dbraw/zinc/95/69/71/561956971.db2.gz HNMXJDSIYLDSQI-WJOKGBTCSA-N 0 0 573.093 4.475 1 0 KIAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCCc2cccc(Cl)c2)C1=O ZINC000028757652 561956984 /nfs/dbraw/zinc/95/69/84/561956984.db2.gz HNMXJDSIYLDSQI-HKBQPEDESA-N 0 0 573.093 4.475 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2ccc(C)cc2c1-c1cc(Br)c(OC)c(OC)c1 ZINC000028757783 561956973 /nfs/dbraw/zinc/95/69/73/561956973.db2.gz QNNXOUINPUFDMQ-UHFFFAOYSA-N 0 0 571.468 4.132 1 0 KIAFRN COC(=O)c1c(C(=O)N2CCN(CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1ccc(Cl)c(Cl)c1 ZINC000028757829 561956986 /nfs/dbraw/zinc/95/69/86/561956986.db2.gz XHKLSGZEVBYKMR-UHFFFAOYSA-N 0 0 547.435 4.368 1 0 KIAFRN CCCCc1nc2ccc(S(C)(=O)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028757881 561957138 /nfs/dbraw/zinc/95/71/38/561957138.db2.gz UDAHGYXACBSDBI-UHFFFAOYSA-N 0 0 514.611 4.038 1 0 KIAFRN O=C(Cc1ccc(OCCN2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000028758704 561957401 /nfs/dbraw/zinc/95/74/01/561957401.db2.gz KZFFKTOTKBALES-UHFFFAOYSA-N 0 0 577.600 4.029 1 0 KIAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2Cl)C1=O ZINC000028758981 561957476 /nfs/dbraw/zinc/95/74/76/561957476.db2.gz LASGWKQEIASTKX-SSEXGKCCSA-N 0 0 559.066 4.085 1 0 KIAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2ccccc2Cl)C1=O ZINC000028758983 561957498 /nfs/dbraw/zinc/95/74/98/561957498.db2.gz LASGWKQEIASTKX-PMERELPUSA-N 0 0 559.066 4.085 1 0 KIAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O ZINC000028759319 561957573 /nfs/dbraw/zinc/95/75/73/561957573.db2.gz IMXOBOWYUGVXFF-SSEXGKCCSA-N 0 0 559.066 4.085 1 0 KIAFRN CC(=O)CCCC(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(CC(=O)NCCc2cccc(Cl)c2)C1=O ZINC000028759321 561957593 /nfs/dbraw/zinc/95/75/93/561957593.db2.gz IMXOBOWYUGVXFF-PMERELPUSA-N 0 0 559.066 4.085 1 0 KIAFRN CC(=O)CCCC(=O)N[C@@H]1N=C(C2CCCCC2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O ZINC000028759524 561957620 /nfs/dbraw/zinc/95/76/20/561957620.db2.gz YJNLCATYBUFBRQ-VVFBEHOQSA-N 0 0 642.584 4.124 1 0 KIAFRN O=C(Cc1ccc(N2CCOCC2)cc1OCC(F)(F)F)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000028759621 561957635 /nfs/dbraw/zinc/95/76/35/561957635.db2.gz ILWNLFNLQHLIQK-UHFFFAOYSA-N 0 0 533.547 4.155 1 0 KIAFRN CNC(=O)OCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028760663 561957922 /nfs/dbraw/zinc/95/79/22/561957922.db2.gz AIBPXPDBMXDYCO-QHCPKHFHSA-N 0 0 613.806 4.165 1 0 KIAFRN COC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761068 561958003 /nfs/dbraw/zinc/95/80/03/561958003.db2.gz RMSYZZDLBCSCEN-QHCPKHFHSA-N 0 0 613.806 4.165 1 0 KIAFRN CN(C)C(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761758 561958250 /nfs/dbraw/zinc/95/82/50/561958250.db2.gz OJIKFVMXSZHJEB-DEOSSOPVSA-N 0 0 626.849 4.080 1 0 KIAFRN CCNC(=O)NCCC1CCN(C(=O)[C@H](Cc2nc3ccccc3s2)NS(=O)(=O)c2cccc3c2NCC(C)(C)C3)CC1 ZINC000028761897 561958319 /nfs/dbraw/zinc/95/83/19/561958319.db2.gz PRBJKHXLDVTRPN-DEOSSOPVSA-N 0 0 626.849 4.128 1 0 KIAFRN CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1 ZINC000028762519 561958433 /nfs/dbraw/zinc/95/84/33/561958433.db2.gz REAZZDPREXHWNV-QXZSLKGJSA-N 0 0 592.726 4.387 1 0 in-vitro KIAFRN CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1 ZINC000028762521 561958468 /nfs/dbraw/zinc/95/84/68/561958468.db2.gz REAZZDPREXHWNV-HJUJCDCNSA-N 0 0 592.726 4.387 1 0 KIAFRN COc1cccc(CNC(=O)c2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3n3c2CCCC3)c1OC ZINC000028763918 561958895 /nfs/dbraw/zinc/95/88/95/561958895.db2.gz DQBOLYOAFHZWDL-UHFFFAOYSA-N 0 0 590.675 4.358 1 0 KIAFRN Cc1cc2c(cc1Cl)N(C(=O)CN1CCN(c3ccccc3)CC1)c1ccccc1N(C)S2(=O)=O ZINC000028765978 561959659 /nfs/dbraw/zinc/95/96/59/561959659.db2.gz DGKMVDYBHUOOMX-UHFFFAOYSA-N 0 0 511.047 4.274 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccccc3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000028768672 561960455 /nfs/dbraw/zinc/96/04/55/561960455.db2.gz DQJBUVJFBGCGSL-JHOAZWNMSA-N 0 0 505.523 4.235 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(O)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000028768681 561960430 /nfs/dbraw/zinc/96/04/30/561960430.db2.gz SMHHILRFPHUDOD-QNMIOERPSA-N 0 0 505.523 4.235 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(O)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000028768744 561960494 /nfs/dbraw/zinc/96/04/94/561960494.db2.gz BJOSWXASMFECEB-QNMIOERPSA-N 0 0 505.523 4.235 1 0 KIAFRN CC(C)(C)NC(=O)c1c(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)ccc2ccccc21 ZINC000028770004 561961004 /nfs/dbraw/zinc/96/10/04/561961004.db2.gz JIOGFGHGVPFHGE-XFCANUNOSA-N 0 0 659.787 4.221 1 0 KIAFRN CCOC(=O)c1cccc(CN2C(=O)N(CCCCCO)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000028770148 561961023 /nfs/dbraw/zinc/96/10/23/561961023.db2.gz IZMLLFHMZHNYNG-ZRTHHSRSSA-N 0 0 574.718 4.208 1 0 KIAFRN CCCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC)N1CC[C@@H](Cc2ccccc2)C1=O ZINC000028770198 561961151 /nfs/dbraw/zinc/96/11/51/561961151.db2.gz RNFJMSWSDKXCPZ-CTWVXTEMSA-N 0 0 649.877 4.161 1 0 KIAFRN CCCC[C@@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccccn1)[C@H](C)CC)N1CC[C@H](Cc2ccccc2)C1=O ZINC000028770200 561961171 /nfs/dbraw/zinc/96/11/71/561961171.db2.gz RNFJMSWSDKXCPZ-UXMXTRJOSA-N 0 0 649.877 4.161 1 0 KIAFRN O=C1N(CCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000028770362 561961100 /nfs/dbraw/zinc/96/11/00/561961100.db2.gz NGSRYSDZRCBGIJ-XAZDILKDSA-N 0 0 502.655 4.031 1 0 KIAFRN COc1cc(/C=C/C(=O)N[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc(OC)c1O ZINC000028770437 561961105 /nfs/dbraw/zinc/96/11/05/561961105.db2.gz CYSBENSAJWWJEO-SQEWALACSA-N 0 0 563.603 4.288 1 0 KIAFRN CC(C)(C)NC(=O)c1cc2ccccc2cc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000028771113 561961324 /nfs/dbraw/zinc/96/13/24/561961324.db2.gz HXMBEZJAQPKBCT-DHWXLLNHSA-N 0 0 659.787 4.221 1 0 KIAFRN CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2)=NN1CC(=O)OC ZINC000028771441 561961505 /nfs/dbraw/zinc/96/15/05/561961505.db2.gz IXIXBSDMHVLAFF-UHFFFAOYSA-N 0 0 518.440 4.290 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(N5CCOCC5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028771540 561961484 /nfs/dbraw/zinc/96/14/84/561961484.db2.gz SABCZMGALMNHPA-ALMBTRMVSA-N 0 0 560.603 4.063 1 0 KIAFRN C/C=C/CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816016 561963633 /nfs/dbraw/zinc/96/36/33/561963633.db2.gz XHHZZXNPCYLODY-MUTNHWFVSA-N 0 0 516.671 4.019 1 0 KIAFRN C/C=C/CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)cn2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816018 561963597 /nfs/dbraw/zinc/96/35/97/561963597.db2.gz XHHZZXNPCYLODY-LZKGHRGQSA-N 0 0 516.671 4.019 1 0 KIAFRN Cn1cnc(CN2C[C@@H](N(Cc3ccc(S(C)(=O)=O)cc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816081 561963791 /nfs/dbraw/zinc/96/37/91/561963791.db2.gz KYCIBOQUKCPKGY-LJAQVGFWSA-N 0 0 630.796 4.047 1 0 KIAFRN Cn1cnc(CN2C[C@H](N(Cc3ccc(S(C)(=O)=O)cc3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816083 561963772 /nfs/dbraw/zinc/96/37/72/561963772.db2.gz KYCIBOQUKCPKGY-GDLZYMKVSA-N 0 0 630.796 4.047 1 0 KIAFRN Cn1cnc(CN2C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816085 561963950 /nfs/dbraw/zinc/96/39/50/561963950.db2.gz NHALPVGPZRKRDP-MHZLTWQESA-N 0 0 572.735 4.019 1 0 KIAFRN Cn1cnc(CN2C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816087 561963901 /nfs/dbraw/zinc/96/39/01/561963901.db2.gz NHALPVGPZRKRDP-HHHXNRCGSA-N 0 0 572.735 4.019 1 0 KIAFRN O=C(NCCCn1ccnc1)OC[C@@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816470 561964063 /nfs/dbraw/zinc/96/40/63/561964063.db2.gz YYDLJWLXGUNJPL-FQEVSTJZSA-N 0 0 506.987 4.002 1 0 KIAFRN O=C(NCCCn1ccnc1)OC[C@H]1CCc2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816472 561964135 /nfs/dbraw/zinc/96/41/35/561964135.db2.gz YYDLJWLXGUNJPL-HXUWFJFHSA-N 0 0 506.987 4.002 1 0 KIAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3c(F)cc5c(c3F)NC(=O)CS5)C4)c2c1 ZINC000028817468 561964919 /nfs/dbraw/zinc/96/49/19/561964919.db2.gz KCQHXMJWRCNUHF-AWEZNQCLSA-N 0 0 521.549 4.039 1 0 KIAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3c(F)cc5c(c3F)NC(=O)CS5)C4)c2c1 ZINC000028817470 561964982 /nfs/dbraw/zinc/96/49/82/561964982.db2.gz KCQHXMJWRCNUHF-CQSZACIVSA-N 0 0 521.549 4.039 1 0 KIAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2c1 ZINC000028817475 561964903 /nfs/dbraw/zinc/96/49/03/561964903.db2.gz XMCCZOFLMSGZJE-HNNXBMFYSA-N 0 0 520.014 4.414 1 0 KIAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3Cl)SCC(=O)N5)C4)c2c1 ZINC000028817476 561964884 /nfs/dbraw/zinc/96/48/84/561964884.db2.gz XMCCZOFLMSGZJE-OAHLLOKOSA-N 0 0 520.014 4.414 1 0 KIAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2n1 ZINC000028817481 561964944 /nfs/dbraw/zinc/96/49/44/561964944.db2.gz UDRNZJAFPXOHJH-AWEZNQCLSA-N 0 0 554.554 4.174 1 0 KIAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(F)(F)F)SCC(=O)N5)C4)c2n1 ZINC000028817482 561964961 /nfs/dbraw/zinc/96/49/61/561964961.db2.gz UDRNZJAFPXOHJH-CQSZACIVSA-N 0 0 554.554 4.174 1 0 KIAFRN COc1cc(-c2nnc(Sc3ncnc4c3cc(OC)c(OC)c4OC)s2)cc(OC)c1OC ZINC000028819721 561965624 /nfs/dbraw/zinc/96/56/24/561965624.db2.gz ZFNHRJUZWXJTGA-UHFFFAOYSA-N 0 0 502.574 4.351 1 0 KIAFRN COc1cc(-c2nnc(Sc3ncnc4ccc(I)cc43)o2)cc(OC)c1OC ZINC000028819729 561965777 /nfs/dbraw/zinc/96/57/77/561965777.db2.gz BPVHHOQNIHGKNU-UHFFFAOYSA-N 0 0 522.324 4.461 1 0 KIAFRN COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819844 561965751 /nfs/dbraw/zinc/96/57/51/561965751.db2.gz DGNDBVCUQXYIIK-QGZVFWFLSA-N 0 0 638.058 4.452 1 0 KIAFRN COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819846 561965792 /nfs/dbraw/zinc/96/57/92/561965792.db2.gz DGNDBVCUQXYIIK-KRWDZBQOSA-N 0 0 638.058 4.452 1 0 KIAFRN COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819850 561965839 /nfs/dbraw/zinc/96/58/39/561965839.db2.gz OESLUDZQEBAFHS-LJQANCHMSA-N 0 0 617.640 4.107 1 0 KIAFRN COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819852 561965808 /nfs/dbraw/zinc/96/58/08/561965808.db2.gz OESLUDZQEBAFHS-IBGZPJMESA-N 0 0 617.640 4.107 1 0 KIAFRN CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819861 561965804 /nfs/dbraw/zinc/96/58/04/561965804.db2.gz AFGAWKCMBMRUAW-LJQANCHMSA-N 0 0 617.640 4.189 1 0 KIAFRN CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819863 561965833 /nfs/dbraw/zinc/96/58/33/561965833.db2.gz AFGAWKCMBMRUAW-IBGZPJMESA-N 0 0 617.640 4.189 1 0 KIAFRN 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/nfs/dbraw/zinc/96/92/98/561969298.db2.gz AUZUBZUZHSEFBR-ZEQRLZLVSA-N 0 0 507.578 4.437 1 0 KIAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F ZINC000028824244 561969327 /nfs/dbraw/zinc/96/93/27/561969327.db2.gz NRXSCWKFYGUTJR-HSZRJFAPSA-N 0 0 512.479 4.132 1 0 KIAFRN COc1ccc(F)cc1C(C)(C)C[C@](O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F ZINC000028824245 561969304 /nfs/dbraw/zinc/96/93/04/561969304.db2.gz NRXSCWKFYGUTJR-QHCPKHFHSA-N 0 0 512.479 4.132 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000028824308 561969412 /nfs/dbraw/zinc/96/94/12/561969412.db2.gz RUEPQTQOKXMCFR-YIXXDRMTSA-N 0 0 515.658 4.393 1 0 KIAFRN O=C(N[C@H]1CC[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000028824309 561969429 /nfs/dbraw/zinc/96/94/29/561969429.db2.gz RUEPQTQOKXMCFR-KCWPFWIISA-N 0 0 515.658 4.393 1 0 KIAFRN O=C(N[C@@H]1CC[C@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000028824310 561969425 /nfs/dbraw/zinc/96/94/25/561969425.db2.gz RUEPQTQOKXMCFR-WNCULLNHSA-N 0 0 515.658 4.393 1 0 KIAFRN O=C(N[C@H]1CC[C@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000028824311 561969427 /nfs/dbraw/zinc/96/94/27/561969427.db2.gz RUEPQTQOKXMCFR-HOFKKMOUSA-N 0 0 515.658 4.393 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000028824312 561969369 /nfs/dbraw/zinc/96/93/69/561969369.db2.gz CLPPWVGSNJNGGK-XNMGPUDCSA-N 0 0 527.669 4.375 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2ccccc2)CN(CC2CC2)C1=O)N1CCC(N2CCc3ccccc3NC2=O)CC1 ZINC000028824313 561969410 /nfs/dbraw/zinc/96/94/10/561969410.db2.gz GKEYVYYYUKUCAC-LEAFIULHSA-N 0 0 529.685 4.435 1 0 KIAFRN O=C(N[C@@H]1C[C@@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000028824320 561969377 /nfs/dbraw/zinc/96/93/77/561969377.db2.gz YOTPJQUOGGWKAG-AHKZPQOWSA-N 0 0 527.669 4.375 1 0 KIAFRN O=C(N[C@H]1C[C@@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000028824321 561969373 /nfs/dbraw/zinc/96/93/73/561969373.db2.gz YOTPJQUOGGWKAG-BDYUSTAISA-N 0 0 527.669 4.375 1 0 KIAFRN O=C(N[C@@H]1C[C@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000028824322 561969380 /nfs/dbraw/zinc/96/93/80/561969380.db2.gz YOTPJQUOGGWKAG-XNMGPUDCSA-N 0 0 527.669 4.375 1 0 KIAFRN O=C(N[C@H]1C[C@H](c2ccccc2)CCN(CC2CC2)C1=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1 ZINC000028824323 561969433 /nfs/dbraw/zinc/96/94/33/561969433.db2.gz YOTPJQUOGGWKAG-VPUSJEBWSA-N 0 0 527.669 4.375 1 0 KIAFRN CN(c1cc2cc(n1)CC[C@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824423 561969633 /nfs/dbraw/zinc/96/96/33/561969633.db2.gz QMGASVJSBNQBAN-VAVYLYDRSA-N 0 0 521.683 4.143 1 0 KIAFRN CN(c1cc2cc(n1)CC[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O ZINC000028824424 561969683 /nfs/dbraw/zinc/96/96/83/561969683.db2.gz QMGASVJSBNQBAN-ABYGYWHVSA-N 0 0 521.683 4.143 1 0 KIAFRN COC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3nc4ccccc4n3CCC(C)C)c2=O)cc1 ZINC000028824529 561969769 /nfs/dbraw/zinc/96/97/69/561969769.db2.gz SNHHISJDYSFRGT-UHFFFAOYSA-N 0 0 510.594 4.442 1 0 KIAFRN COc1cc(N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)nc(OC)n1 ZINC000028824662 561969840 /nfs/dbraw/zinc/96/98/40/561969840.db2.gz HYRWSDQCIYWWRL-UHFFFAOYSA-N 0 0 562.618 4.316 1 0 KIAFRN Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N5CCN(c6cccc(C(F)(F)F)c6)CC5)cs4)CC3)c(C)n2n1 ZINC000028824680 561969835 /nfs/dbraw/zinc/96/98/35/561969835.db2.gz JJHNHXBRNSFWJF-UHFFFAOYSA-N 0 0 598.655 4.199 1 0 KIAFRN O=C(Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1csc(C2CCN(c3ccnc4ncnn43)CC2)n1 ZINC000028824698 561969828 /nfs/dbraw/zinc/96/98/28/561969828.db2.gz FNHVLVHPJMCTOW-UHFFFAOYSA-N 0 0 549.620 4.324 1 0 KIAFRN COc1nc(OC)nc(N2CCC(c3nc(C(=O)Nc4nc5cc(C(=O)c6ccsc6)ccc5[nH]4)cs3)CC2)n1 ZINC000028824713 561969994 /nfs/dbraw/zinc/96/99/94/561969994.db2.gz UCHFWSJIIHGGQJ-UHFFFAOYSA-N 0 0 576.664 4.150 1 0 KIAFRN COC(=O)c1nc2nccc(N3CCC(c4nc(C(=O)Nc5nc6cc(C(=O)c7ccccc7)ccc6[nH]5)cs4)CC3)n2n1 ZINC000028824715 561970009 /nfs/dbraw/zinc/97/00/09/561970009.db2.gz SXGGTKPFKVEJKV-UHFFFAOYSA-N 0 0 607.656 4.111 1 0 KIAFRN COc1nc(OC)nc(N2CCC(c3nc(C(=O)Nc4nc5cc(C(=O)c6ccccc6)ccc5[nH]4)cs3)CC2)n1 ZINC000028824717 561969988 /nfs/dbraw/zinc/96/99/88/561969988.db2.gz QEDPORPIDXMPLR-UHFFFAOYSA-N 0 0 570.635 4.089 1 0 KIAFRN CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O ZINC000028825153 561970300 /nfs/dbraw/zinc/97/03/00/561970300.db2.gz FAIHNFWWIAKTEP-RPWUZVMVSA-N 0 0 562.736 4.078 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O ZINC000028825154 561970309 /nfs/dbraw/zinc/97/03/09/561970309.db2.gz FAIHNFWWIAKTEP-ZEQRLZLVSA-N 0 0 562.736 4.078 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O ZINC000028825155 561970290 /nfs/dbraw/zinc/97/02/90/561970290.db2.gz FAIHNFWWIAKTEP-BJKOFHAPSA-N 0 0 562.736 4.078 1 0 KIAFRN CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)C(N)=O ZINC000028825156 561970358 /nfs/dbraw/zinc/97/03/58/561970358.db2.gz FAIHNFWWIAKTEP-DNQXCXABSA-N 0 0 562.736 4.078 1 0 KIAFRN O=C(N[C@]1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 ZINC000028825226 561970616 /nfs/dbraw/zinc/97/06/16/561970616.db2.gz GXIZWYDJPVSHBX-BVGRYSDNSA-N 0 0 610.780 4.039 1 0 KIAFRN O=C(N[C@@]1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1 ZINC000028825227 561970596 /nfs/dbraw/zinc/97/05/96/561970596.db2.gz GXIZWYDJPVSHBX-UYHPJTEGSA-N 0 0 610.780 4.039 1 0 KIAFRN COc1cc2c(cc1OCCCCCN1CCN(C3=NS(=O)(=O)c4ccccc4N3C(C)C)CC1)N=C[C@@H]1CCCN1C2=O ZINC000028826333 561971410 /nfs/dbraw/zinc/97/14/10/561971410.db2.gz URMMLBDHISLATP-DEOSSOPVSA-N 0 0 622.792 4.156 1 0 KIAFRN COc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c2=O)cc1 ZINC000028826549 561971400 /nfs/dbraw/zinc/97/14/00/561971400.db2.gz IHYMBMWMBGROQG-UHFFFAOYSA-N 0 0 506.562 4.103 1 0 KIAFRN O=C(OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028827203 561971626 /nfs/dbraw/zinc/97/16/26/561971626.db2.gz KKKLWLSGVSXCDO-LOSJGSFVSA-N 0 0 584.085 4.182 1 0 KIAFRN CC[C@@H]1CCC[C@H](C2(OC(=O)N3CCC(CCO)(OC)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028827249 561971613 /nfs/dbraw/zinc/97/16/13/561971613.db2.gz ZHOWHCLRECEVRT-IFMALSPDSA-N 0 0 529.099 4.194 1 0 KIAFRN CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000028827370 561971757 /nfs/dbraw/zinc/97/17/57/561971757.db2.gz HZSIRKVWEQGPAH-UHFFFAOYSA-N 0 0 526.586 4.451 1 0 KIAFRN CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccccc1 ZINC000028863394 561972217 /nfs/dbraw/zinc/97/22/17/561972217.db2.gz JEGAIRIQZHETPY-UHFFFAOYSA-N 0 0 507.065 4.073 1 0 KIAFRN CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC(=N)c4cc5ccccc5cn4)cn3C)cn2C)nc1C(=O)NCCN1CCOCC1 ZINC000028863404 561972212 /nfs/dbraw/zinc/97/22/12/561972212.db2.gz MXHHPOHVQWFANP-UHFFFAOYSA-N 0 0 696.838 4.496 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccc(Cl)c4)cn3C)cn2C)cc1C(=O)NCCc1ccccn1 ZINC000028863406 561972214 /nfs/dbraw/zinc/97/22/14/561972214.db2.gz NAYGRDPSEJERLV-UHFFFAOYSA-N 0 0 627.105 4.480 1 0 KIAFRN CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(F)cc1 ZINC000028863471 561972391 /nfs/dbraw/zinc/97/23/91/561972391.db2.gz MSIBVYJYGNWRQY-UHFFFAOYSA-N 0 0 525.055 4.213 1 0 KIAFRN COc1cccc(-n2c(=O)c3c(n(Cc4c(F)cccc4F)c2=O)CN(Cc2ccc(C)cc2)CC3)c1 ZINC000028863526 561972352 /nfs/dbraw/zinc/97/23/52/561972352.db2.gz MCITZAXHYIHCRB-UHFFFAOYSA-N 0 0 503.549 4.201 1 0 KIAFRN COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cc2)c1 ZINC000028864418 561973031 /nfs/dbraw/zinc/97/30/31/561973031.db2.gz HIAQEQTVGOIVIG-BQYQJAHWSA-N 0 0 610.715 4.109 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3csc(/C=C/c4ccc5ccccc5n4)n3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000028864897 561973230 /nfs/dbraw/zinc/97/32/30/561973230.db2.gz QIFCRXBKHBAQNC-MDZDMXLPSA-N 0 0 638.754 4.105 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4nc5ccccc5o4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000028864914 561973234 /nfs/dbraw/zinc/97/32/34/561973234.db2.gz XXNVXSZDRLNMNH-FMIVXFBMSA-N 0 0 621.698 4.242 1 0 KIAFRN CSc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cn2)cc1 ZINC000028864928 561973222 /nfs/dbraw/zinc/97/32/22/561973222.db2.gz PYGSPYDYTVEQQH-XBXARRHUSA-N 0 0 627.771 4.218 1 0 KIAFRN CCCN(C(=O)CC(=O)[O-])C1=C(C)C[C@@H](c2ccc(C(N)=[NH2+])cc2)N([C@@H](C)c2ccc(OC)cc2)C1=O ZINC000028869549 561973879 /nfs/dbraw/zinc/97/38/79/561973879.db2.gz RWZZZEBMERBDSV-MBSDFSHPSA-N 0 0 506.603 4.001 1 0 KIAFRN CCCN(C(=O)CC(=O)[O-])C1=C(C)C[C@H](c2ccc(C(N)=[NH2+])cc2)N([C@@H](C)c2ccc(OC)cc2)C1=O ZINC000028869553 561973861 /nfs/dbraw/zinc/97/38/61/561973861.db2.gz RWZZZEBMERBDSV-FDDCHVKYSA-N 0 0 506.603 4.001 1 0 KIAFRN COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(CS(C)(=O)=O)c3=O)CC2)C(C)C)c1 ZINC000028874880 561975346 /nfs/dbraw/zinc/97/53/46/561975346.db2.gz OMKMEVVZWURZKJ-SANMLTNESA-N 0 0 529.703 4.253 1 0 KIAFRN COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(CS(C)(=O)=O)c3=O)CC2)C(C)C)c1 ZINC000028874885 561975326 /nfs/dbraw/zinc/97/53/26/561975326.db2.gz OMKMEVVZWURZKJ-AREMUKBSSA-N 0 0 529.703 4.253 1 0 KIAFRN CN1CN(C)C2(CCN(C(=O)OC[C@@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000028879047 561976131 /nfs/dbraw/zinc/97/61/31/561976131.db2.gz HZAVUUXVJPCTKH-ZCYQVOJMSA-N 0 0 611.111 4.235 1 0 KIAFRN CN1CN(C)C2(CCN(C(=O)OC[C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000028879052 561976173 /nfs/dbraw/zinc/97/61/73/561976173.db2.gz HZAVUUXVJPCTKH-NOZRDPDXSA-N 0 0 611.111 4.235 1 0 KIAFRN O=C(OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879576 561976479 /nfs/dbraw/zinc/97/64/79/561976479.db2.gz IRYDPZOKPJBEFP-DQEYMECFSA-N 0 0 566.095 4.043 1 0 KIAFRN O=C(OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879583 561976423 /nfs/dbraw/zinc/97/64/23/561976423.db2.gz IRYDPZOKPJBEFP-LOSJGSFVSA-N 0 0 566.095 4.043 1 0 KIAFRN O=C(OC1([C@@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879589 561976438 /nfs/dbraw/zinc/97/64/38/561976438.db2.gz IRYDPZOKPJBEFP-RPBOFIJWSA-N 0 0 566.095 4.043 1 0 KIAFRN O=C(OC1([C@H]2CCC[C@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879596 561976477 /nfs/dbraw/zinc/97/64/77/561976477.db2.gz IRYDPZOKPJBEFP-JWQCQUIFSA-N 0 0 566.095 4.043 1 0 KIAFRN C[C@H]1CN(CCO)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879601 561976451 /nfs/dbraw/zinc/97/64/51/561976451.db2.gz MFDZSGSRFDWNEW-XZZVZQAVSA-N 0 0 580.122 4.431 1 0 KIAFRN C[C@H]1CN(CCO)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879607 561976417 /nfs/dbraw/zinc/97/64/17/561976417.db2.gz MFDZSGSRFDWNEW-YMSRPXOMSA-N 0 0 580.122 4.431 1 0 KIAFRN C[C@H]1CN(C(C)(CO)CO)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879611 561976481 /nfs/dbraw/zinc/97/64/81/561976481.db2.gz RMMNMQOLNRMZRW-PUUVEUEGSA-N 0 0 624.175 4.182 1 0 KIAFRN C[C@H]1CN(C(C)(CO)CO)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cccc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879617 561976457 /nfs/dbraw/zinc/97/64/57/561976457.db2.gz RMMNMQOLNRMZRW-NJTBCWBZSA-N 0 0 624.175 4.182 1 0 KIAFRN O=C(OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879712 561976554 /nfs/dbraw/zinc/97/65/54/561976554.db2.gz KKKLWLSGVSXCDO-DQEYMECFSA-N 0 0 584.085 4.182 1 0 KIAFRN O=C(OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879718 561976508 /nfs/dbraw/zinc/97/65/08/561976508.db2.gz KKKLWLSGVSXCDO-RPBOFIJWSA-N 0 0 584.085 4.182 1 0 KIAFRN O=C(OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(CCO)CC1 ZINC000028879725 561976571 /nfs/dbraw/zinc/97/65/71/561976571.db2.gz KKKLWLSGVSXCDO-JWQCQUIFSA-N 0 0 584.085 4.182 1 0 KIAFRN COC(=O)[C@@H]1Cc2cc(OC)c(OC)c(OC)c2[C@H]([C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)N1C ZINC000028879952 561976696 /nfs/dbraw/zinc/97/66/96/561976696.db2.gz SOAVSWOSFAPHMZ-DPLHUUCSSA-N 0 0 526.630 4.145 1 0 KIAFRN CCN(Cc1ccnc(N)c1)C(=O)OC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880175 561976698 /nfs/dbraw/zinc/97/66/98/561976698.db2.gz SPIOBNKVXQIRNR-NRFANRHFSA-N 0 0 515.035 4.486 1 0 KIAFRN CCN(Cc1ccnc(N)c1)C(=O)OC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028880183 561976653 /nfs/dbraw/zinc/97/66/53/561976653.db2.gz SPIOBNKVXQIRNR-OAQYLSRUSA-N 0 0 515.035 4.486 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)c1ccco1)C(C)C ZINC000028882852 561977185 /nfs/dbraw/zinc/97/71/85/561977185.db2.gz NYKUNUMFBVIJLR-FIXSFTCYSA-N 0 0 527.662 4.270 1 0 KIAFRN CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)c1ccco1 ZINC000028882864 561977281 /nfs/dbraw/zinc/97/72/81/561977281.db2.gz LNSIAJIPIYBJHV-KLJDGLGGSA-N 0 0 561.679 4.467 1 0 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561982050 /nfs/dbraw/zinc/98/20/50/561982050.db2.gz ULSOMKMKKHUWGA-WOJBJXKFSA-N 0 0 505.537 4.149 1 0 KIAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2cc(F)ccc2F)NC(=O)OC(C)(C)C)C1=O ZINC000028952716 561982212 /nfs/dbraw/zinc/98/22/12/561982212.db2.gz HEMMPJBFWMJXLO-FGZHOGPDSA-N 0 0 501.574 4.273 1 0 KIAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)OC(C)(C)C)C1=O ZINC000028952719 561982229 /nfs/dbraw/zinc/98/22/29/561982229.db2.gz YALMTJOCIGQSJL-FGZHOGPDSA-N 0 0 501.574 4.273 1 0 KIAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2cc(N3CC(O)C3)ncn2)cc1 ZINC000028953218 561982360 /nfs/dbraw/zinc/98/23/60/561982360.db2.gz JOVDVIIPDXZESZ-UHFFFAOYSA-N 0 0 531.495 4.330 1 0 KIAFRN CC(=O)C1=NN(c2cc(Br)ccc2F)C[C@@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953497 561982297 /nfs/dbraw/zinc/98/22/97/561982297.db2.gz BNJKWXPRZSOHBL-SANMLTNESA-N 0 0 529.454 4.236 1 0 KIAFRN CC(=O)C1=NN(c2cc(Br)ccc2F)C[C@]1(CCCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC000028953499 561982289 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0 0 537.638 4.222 1 0 KIAFRN COc1ccccc1-c1c(C[NH2+][C@H](CCSC)C(=O)[O-])cccc1NC(=O)C[C@@H]1COc2ncccc2O1 ZINC000028957525 561983258 /nfs/dbraw/zinc/98/32/58/561983258.db2.gz KSWPITUCMJFZCN-DENIHFKCSA-N 0 0 537.638 4.222 1 0 KIAFRN COc1ccccc1-c1c(C[NH2+][C@H](CCSC)C(=O)[O-])cccc1NC(=O)C[C@H]1COc2ncccc2O1 ZINC000028957527 561983328 /nfs/dbraw/zinc/98/33/28/561983328.db2.gz KSWPITUCMJFZCN-SIKLNZKXSA-N 0 0 537.638 4.222 1 0 KIAFRN COc1ccccc1-c1c(C[NH2+][C@@H](CCSC)C(=O)[O-])cccc1NC(=O)C[C@@H]1COc2ncccc2O1 ZINC000028957533 561983304 /nfs/dbraw/zinc/98/33/04/561983304.db2.gz KSWPITUCMJFZCN-KNQAVFIVSA-N 0 0 537.638 4.222 1 0 KIAFRN Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12 ZINC000028957666 561983316 /nfs/dbraw/zinc/98/33/16/561983316.db2.gz PUJPRSYMMNNGBM-UHFFFAOYSA-N 0 0 569.087 4.056 1 0 KIAFRN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccccn2)C1=O ZINC000028958065 561983507 /nfs/dbraw/zinc/98/35/07/561983507.db2.gz CCCGBJZHYIPUTE-DHIUTWEWSA-N 0 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/nfs/dbraw/zinc/98/37/79/561983779.db2.gz CCFWKNLIRQRUNI-UHFFFAOYSA-N 0 0 568.537 4.132 1 0 KIAFRN NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ccc(-c1ccc(N3CCCCC3=O)cc1F)c2F ZINC000028964209 561984628 /nfs/dbraw/zinc/98/46/28/561984628.db2.gz SSQLZVKKFYFNKQ-UHFFFAOYSA-N 0 0 502.481 4.310 1 0 KIAFRN CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(=O)CCCNC(=O)OC(C)(C)C)c1)c(OC(C)=O)c2=O ZINC000028966432 561985129 /nfs/dbraw/zinc/98/51/29/561985129.db2.gz JTGPKNQWLUXLDF-UHFFFAOYSA-N 0 0 655.609 4.372 1 0 KIAFRN COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)Nc1ccccc1)OC3=O ZINC000028966722 561985217 /nfs/dbraw/zinc/98/52/17/561985217.db2.gz DDCALZNRUXMYCG-WXQZTUQOSA-N 0 0 507.583 4.425 1 0 KIAFRN COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)Nc1cccc(O)c1)OC3=O ZINC000028966747 561985214 /nfs/dbraw/zinc/98/52/14/561985214.db2.gz UAYSVKCLIAMAMY-SYTQJVIASA-N 0 0 523.582 4.130 1 0 KIAFRN COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)Nc1ccccc1O)OC3=O ZINC000028966752 561985219 /nfs/dbraw/zinc/98/52/19/561985219.db2.gz XCEQOUFPLJJKHE-LZZOSRSJSA-N 0 0 523.582 4.130 1 0 KIAFRN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000028968529 561985499 /nfs/dbraw/zinc/98/54/99/561985499.db2.gz WPRACYICKOKGTO-XZWHSSHBSA-N 0 0 531.697 4.449 1 0 in-vitro KIAFRN CC[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000028974061 561986298 /nfs/dbraw/zinc/98/62/98/561986298.db2.gz FQKAHLJHUHFLAB-FRMKCVIWSA-N 0 0 741.882 4.175 1 0 KIAFRN C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976055 561986558 /nfs/dbraw/zinc/98/65/58/561986558.db2.gz FXJUXKWZBMDVAH-QGZVFWFLSA-N 0 0 541.457 4.083 1 0 KIAFRN C[C@H](CCOC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976094 561986770 /nfs/dbraw/zinc/98/67/70/561986770.db2.gz 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1 0 KIAFRN CN1CCN([C@H](Cc2ccc(C(=O)Nc3ccccc3N)cc2)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000028976624 561987017 /nfs/dbraw/zinc/98/70/17/561987017.db2.gz CBUQIZJUUZMCSA-GDLZYMKVSA-N 0 0 507.638 4.472 1 0 KIAFRN O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977469 561987201 /nfs/dbraw/zinc/98/72/01/561987201.db2.gz UQJXREUQULDMBU-HJOGWXRNSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977475 561987218 /nfs/dbraw/zinc/98/72/18/561987218.db2.gz UQJXREUQULDMBU-SGNDLWITSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977481 561987188 /nfs/dbraw/zinc/98/71/88/561987188.db2.gz UQJXREUQULDMBU-KMDXXIMOSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977488 561987132 /nfs/dbraw/zinc/98/71/32/561987132.db2.gz UQJXREUQULDMBU-TZRRMPRUSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977494 561987147 /nfs/dbraw/zinc/98/71/47/561987147.db2.gz UQJXREUQULDMBU-VXNXHJTFSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977499 561987152 /nfs/dbraw/zinc/98/71/52/561987152.db2.gz UQJXREUQULDMBU-SMIHKQSGSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977505 561987223 /nfs/dbraw/zinc/98/72/23/561987223.db2.gz UQJXREUQULDMBU-RBZQAINGSA-N 0 0 606.648 4.069 1 0 KIAFRN O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=[NH+]C[C@H](c4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977511 561987197 /nfs/dbraw/zinc/98/71/97/561987197.db2.gz UQJXREUQULDMBU-WXFUMESZSA-N 0 0 606.648 4.069 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000028979531 561988158 /nfs/dbraw/zinc/98/81/58/561988158.db2.gz GFNBLRVHGQFIQU-XSSIKURBSA-N 0 0 555.074 4.307 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000028979537 561988198 /nfs/dbraw/zinc/98/81/98/561988198.db2.gz GFNBLRVHGQFIQU-BPOBUFBUSA-N 0 0 555.074 4.307 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)cc3)C2=O)c(F)c1 ZINC000028979549 561988182 /nfs/dbraw/zinc/98/81/82/561988182.db2.gz VMWBUJQMUMVTRC-UVEFMEQMSA-N 0 0 549.045 4.245 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)cc3)C2=O)c(F)c1 ZINC000028979552 561988176 /nfs/dbraw/zinc/98/81/76/561988176.db2.gz VMWBUJQMUMVTRC-LVANHBEFSA-N 0 0 549.045 4.245 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000028979556 561988274 /nfs/dbraw/zinc/98/82/74/561988274.db2.gz AGGUXHLPVWPMGW-QGZVFWFLSA-N 0 0 580.084 4.243 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000028979558 561988253 /nfs/dbraw/zinc/98/82/53/561988253.db2.gz AGGUXHLPVWPMGW-KRWDZBQOSA-N 0 0 580.084 4.243 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3cc4ccc(Cl)cc4o3)C2=O)c(F)c1 ZINC000028979563 561988229 /nfs/dbraw/zinc/98/82/29/561988229.db2.gz WXJFYWVEBPDPFE-HXUWFJFHSA-N 0 0 563.028 4.380 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4o3)C2=O)c(F)c1 ZINC000028979569 561988281 /nfs/dbraw/zinc/98/82/81/561988281.db2.gz WXJFYWVEBPDPFE-FQEVSTJZSA-N 0 0 563.028 4.380 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3cc4cc(Cl)ccc4o3)C2=O)c(F)c1 ZINC000028979574 561988332 /nfs/dbraw/zinc/98/83/32/561988332.db2.gz RPEBFLBSZDYQHK-HXUWFJFHSA-N 0 0 563.028 4.380 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4cc(Cl)ccc4o3)C2=O)c(F)c1 ZINC000028979580 561988296 /nfs/dbraw/zinc/98/82/96/561988296.db2.gz RPEBFLBSZDYQHK-FQEVSTJZSA-N 0 0 563.028 4.380 1 0 KIAFRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000028979805 561988486 /nfs/dbraw/zinc/98/84/86/561988486.db2.gz SIOWVROFOZTBLX-CYBMUJFWSA-N 0 0 501.493 4.135 1 0 KIAFRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC000028979808 561988385 /nfs/dbraw/zinc/98/83/85/561988385.db2.gz SIOWVROFOZTBLX-ZDUSSCGKSA-N 0 0 501.493 4.135 1 0 KIAFRN Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1 ZINC000029037231 561988420 /nfs/dbraw/zinc/98/84/20/561988420.db2.gz UFNUYYXZNINYFN-UHFFFAOYSA-N 0 0 503.628 4.454 1 0 KIAFRN CCc1c(=O)[nH]c(=O)n(COCc2ccc(I)cc2)c1Cc1cc(C)cc(C)c1 ZINC000029037408 561988579 /nfs/dbraw/zinc/98/85/79/561988579.db2.gz IFQKCKRDLQPSOC-UHFFFAOYSA-N 0 0 504.368 4.086 1 0 KIAFRN COc1c(O)cc2cc1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)CC/C=C(\C)C(=O)N2 ZINC000029037420 561988584 /nfs/dbraw/zinc/98/85/84/561988584.db2.gz VFJOOSVDHSUNKR-DQJDZTSCSA-N 0 0 548.677 4.085 1 0 in-vitro KIAFRN CO[C@H]1C[C@H](C)Cc2cc(O)cc(c2)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000029037430 561988564 /nfs/dbraw/zinc/98/85/64/561988564.db2.gz HUXWGTSMSXMDBH-UQMARRQJSA-N 0 0 518.651 4.077 1 0 KIAFRN COc1c2cc(cc1OC(C)=O)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)C2 ZINC000029037435 561988510 /nfs/dbraw/zinc/98/85/10/561988510.db2.gz RXOFEGOQJXDELP-YMPNCKEDSA-N 0 0 590.714 4.305 1 0 KIAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12 ZINC000029037658 561988520 /nfs/dbraw/zinc/98/85/20/561988520.db2.gz FCURRHNYTFIDQY-UHFFFAOYSA-N 0 0 541.511 4.354 1 0 KIAFRN Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12 ZINC000029037661 561988518 /nfs/dbraw/zinc/98/85/18/561988518.db2.gz GBJUQIHMJNTHNS-UHFFFAOYSA-N 0 0 559.501 4.493 1 0 KIAFRN CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1 ZINC000029037688 561988723 /nfs/dbraw/zinc/98/87/23/561988723.db2.gz VQBNZDYHKWNFIA-UHFFFAOYSA-N 0 0 509.492 4.287 1 0 KIAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3cc(C(=O)NC4CC4)c[n+]([O-])c3)c2)c1)S(C)(=O)=O ZINC000029037767 561988693 /nfs/dbraw/zinc/98/86/93/561988693.db2.gz NUGXMHLDJZPDLJ-UHFFFAOYSA-N 0 0 501.608 4.374 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4cccc(Br)n4)s3)c2)CC1 ZINC000029038274 561988854 /nfs/dbraw/zinc/98/88/54/561988854.db2.gz MUXBCOWHOKDKRR-UHFFFAOYSA-N 0 0 518.462 4.500 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2ccccc2Sc2cnc(Nc3cccc(Br)n3)s2)CC1 ZINC000029038276 561988784 /nfs/dbraw/zinc/98/87/84/561988784.db2.gz YPFTVEKSXWOCOW-UHFFFAOYSA-N 0 0 518.462 4.500 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2ccc(Sc3cnc(Nc4cccc(Br)n4)s3)cc2)CC1 ZINC000029038278 561988810 /nfs/dbraw/zinc/98/88/10/561988810.db2.gz UZBWVIWDQYBJDL-UHFFFAOYSA-N 0 0 518.462 4.500 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4ccc(Br)cn4)s3)c2)CC1 ZINC000029038305 561988861 /nfs/dbraw/zinc/98/88/61/561988861.db2.gz UOWHYCWHEPEBAN-UHFFFAOYSA-N 0 0 518.462 4.500 1 0 KIAFRN CC[C@@H]1CCC[C@H](C2(Cc3noc(CN(C)C(C)(C)CO)n3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029038600 561989205 /nfs/dbraw/zinc/98/92/05/561989205.db2.gz MLBHRXIETSMRAN-TZIWHRDSSA-N 0 0 525.115 4.270 1 0 KIAFRN CN(Cc1nc(CC2([C@H]3CCC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)no1)C(C)(C)CO ZINC000029038648 561989068 /nfs/dbraw/zinc/98/90/68/561989068.db2.gz VPGTXENSHDCTLV-FCHUYYIVSA-N 0 0 537.126 4.270 1 0 KIAFRN CC[C@@H]1CCC[C@H](C2(Cc3nc(CN(C)C(C)(C)CO)no3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029038656 561989114 /nfs/dbraw/zinc/98/91/14/561989114.db2.gz QWBIJZNHHTVJRM-TZIWHRDSSA-N 0 0 525.115 4.270 1 0 KIAFRN CN(Cc1noc(CC2([C@H]3CCC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)n1)C(C)(C)CO ZINC000029038671 561989152 /nfs/dbraw/zinc/98/91/52/561989152.db2.gz ULUAOKMJKCFHDN-FCHUYYIVSA-N 0 0 537.126 4.270 1 0 KIAFRN O=C(NCc1c(F)cccc1Cl)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 ZINC000029038978 561989514 /nfs/dbraw/zinc/98/95/14/561989514.db2.gz NGKSRKYOGVIJBP-UHFFFAOYSA-N 0 0 514.804 4.437 1 0 KIAFRN O=C(NCc1ccnc2ccccc12)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 ZINC000029039007 561989480 /nfs/dbraw/zinc/98/94/80/561989480.db2.gz QODMNQLSDFVBJL-UHFFFAOYSA-N 0 0 513.417 4.193 1 0 KIAFRN CN1c2ccccc2N(CC2CCC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O ZINC000029040456 561990658 /nfs/dbraw/zinc/99/06/58/561990658.db2.gz YEPYJCGQGXMMOS-DHIUTWEWSA-N 0 0 524.637 4.029 1 0 KIAFRN CN1c2ccccc2N(Cc2ccccc2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O ZINC000029040461 561990664 /nfs/dbraw/zinc/99/06/64/561990664.db2.gz TYLQJNXEEPKAOZ-JWQCQUIFSA-N 0 0 546.643 4.430 1 0 KIAFRN CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O ZINC000029040465 561990678 /nfs/dbraw/zinc/99/06/78/561990678.db2.gz JAILSWWOYIPNQK-DNQXCXABSA-N 0 0 538.664 4.418 1 0 KIAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O ZINC000029040467 561990633 /nfs/dbraw/zinc/99/06/33/561990633.db2.gz GJWICHQWPXNIIA-FGZHOGPDSA-N 0 0 560.617 4.433 1 0 KIAFRN CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O ZINC000029040480 561990665 /nfs/dbraw/zinc/99/06/65/561990665.db2.gz YWAMPHXTVIKHNU-DNQXCXABSA-N 0 0 520.674 4.279 1 0 KIAFRN CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2cccc(F)c2)NC(=O)OC(C)(C)C)C1=O ZINC000029040506 561990686 /nfs/dbraw/zinc/99/06/86/561990686.db2.gz BKLPMGFIXKCEOE-DNQXCXABSA-N 0 0 538.664 4.418 1 0 KIAFRN CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)OC(C)(C)C)C1=O ZINC000029040510 561990676 /nfs/dbraw/zinc/99/06/76/561990676.db2.gz GEEJZAFVZDXTOW-DNQXCXABSA-N 0 0 538.664 4.418 1 0 KIAFRN Cc1c(OCCN2CCOCC2)cn2ncnc(Oc3ccc(NC(=O)c4cc(C)ccc4F)cc3F)c12 ZINC000029040582 561990655 /nfs/dbraw/zinc/99/06/55/561990655.db2.gz GXNJVTWXIDPNSY-UHFFFAOYSA-N 0 0 523.540 4.380 1 0 KIAFRN CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000029042532 290680807 /nfs/dbraw/zinc/68/08/07/290680807.db2.gz XZBVNQWNPRMHRH-LAMASETHSA-N 0 0 558.712 4.414 1 0 biogenic,in-vitro KIAFRN COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@@H](C)C(C)(C)C)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029043731 561992055 /nfs/dbraw/zinc/99/20/55/561992055.db2.gz QURFEIPUUCEGFP-SFHVURJKSA-N 0 0 586.759 4.146 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@H](C)c4ccccc4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029043749 561992019 /nfs/dbraw/zinc/99/20/19/561992019.db2.gz LNLSXESGEUYARJ-HXUWFJFHSA-N 0 0 606.749 4.473 1 0 KIAFRN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)[C@@H]2CCCN2C(=O)c2cccnc2)C1 ZINC000029043801 561992183 /nfs/dbraw/zinc/99/21/83/561992183.db2.gz NJJNWOIPCMOQGI-JKSBSHDWSA-N 0 0 513.436 4.206 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N(C)Cc4ccccc4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029043888 561992221 /nfs/dbraw/zinc/99/22/21/561992221.db2.gz OHDLJQSKTJYPMI-UHFFFAOYSA-N 0 0 606.749 4.254 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@@H](C)c4ccccc4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029043891 561992174 /nfs/dbraw/zinc/99/21/74/561992174.db2.gz LNLSXESGEUYARJ-FQEVSTJZSA-N 0 0 606.749 4.473 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NCC4CCCCC4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029044021 561992203 /nfs/dbraw/zinc/99/22/03/561992203.db2.gz XDDCGVSHLSUOOS-UHFFFAOYSA-N 0 0 598.770 4.292 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)N[C@H](C)C(C)(C)C)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029046060 561992697 /nfs/dbraw/zinc/99/26/97/561992697.db2.gz QURFEIPUUCEGFP-GOSISDBHSA-N 0 0 586.759 4.146 1 0 KIAFRN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000029046419 561992858 /nfs/dbraw/zinc/99/28/58/561992858.db2.gz XCCDRASOIOEUOF-UHFFFAOYSA-N 0 0 542.017 4.128 1 0 KIAFRN COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(-n2ccccc2=O)nc1 ZINC000029048140 561993455 /nfs/dbraw/zinc/99/34/55/561993455.db2.gz DCEORBKVWCVUFX-UHFFFAOYSA-N 0 0 510.337 4.448 1 0 KIAFRN O=C(CN1CCCCC1)Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029048264 561993441 /nfs/dbraw/zinc/99/34/41/561993441.db2.gz CQPRHEXCEDEGFM-GDLZYMKVSA-N 0 0 548.594 4.010 1 0 KIAFRN O=C(CN1CCCCC1)Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029048267 561993430 /nfs/dbraw/zinc/99/34/30/561993430.db2.gz CQPRHEXCEDEGFM-LJAQVGFWSA-N 0 0 548.594 4.010 1 0 KIAFRN COC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c2c1C ZINC000029048444 561993570 /nfs/dbraw/zinc/99/35/70/561993570.db2.gz NVXMCSRBATURAJ-IBGZPJMESA-N 0 0 575.645 4.082 1 0 KIAFRN Cc1c(C(=O)NC(C)C)cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c12 ZINC000029048536 561993602 /nfs/dbraw/zinc/99/36/02/561993602.db2.gz YLPVZKWVIJFOON-UHFFFAOYSA-N 0 0 545.619 4.456 1 0 KIAFRN CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c2c1C ZINC000029048547 561993532 /nfs/dbraw/zinc/99/35/32/561993532.db2.gz VHIZLNMGYAFBOD-UHFFFAOYSA-N 0 0 545.619 4.458 1 0 KIAFRN CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c2c1C ZINC000029048552 561993534 /nfs/dbraw/zinc/99/35/34/561993534.db2.gz PEKBDXNYIPOYCI-UHFFFAOYSA-N 0 0 531.592 4.067 1 0 KIAFRN CCOC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c2c1C ZINC000029048714 561993705 /nfs/dbraw/zinc/99/37/05/561993705.db2.gz GYHNNUSRTFIIMA-UHFFFAOYSA-N 0 0 532.576 4.494 1 0 KIAFRN CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(N5CCCC5=O)c4)ccc3C)c2c1C ZINC000029049146 561993903 /nfs/dbraw/zinc/99/39/03/561993903.db2.gz HELDTQWJEULUSA-UHFFFAOYSA-N 0 0 511.586 4.219 1 0 KIAFRN Cc1c(C(=O)N(C)C)cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)ccc3C)c12 ZINC000029050486 561994228 /nfs/dbraw/zinc/99/42/28/561994228.db2.gz WSSIAUNECLVTMM-UHFFFAOYSA-N 0 0 531.592 4.020 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2ccsc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000029054447 561994700 /nfs/dbraw/zinc/99/47/00/561994700.db2.gz MVYHSKAZPGLQBF-PEVIRZATSA-N 0 0 500.569 4.356 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000029054594 561994704 /nfs/dbraw/zinc/99/47/04/561994704.db2.gz BZNOPGMFTTXDTR-KBJPRCPTSA-N 0 0 500.569 4.356 1 0 KIAFRN O=S(=O)(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCOCC1 ZINC000029054868 561994864 /nfs/dbraw/zinc/99/48/64/561994864.db2.gz ATTMVRXVYVAUKY-UHFFFAOYSA-N 0 0 513.440 4.076 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(OC)cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000029055211 561994816 /nfs/dbraw/zinc/99/48/16/561994816.db2.gz QTJRSFJCMFHRFT-UTFYOTOKSA-N 0 0 524.566 4.303 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc(OC)c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000029055219 561994855 /nfs/dbraw/zinc/99/48/55/561994855.db2.gz MWJDXNHLIAFHDP-UTFYOTOKSA-N 0 0 524.566 4.303 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2OC)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000029055410 561994811 /nfs/dbraw/zinc/99/48/11/561994811.db2.gz VHCNOYOSVSAAAS-CFMDGPSZSA-N 0 0 524.566 4.303 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)c4cc(F)ccc4F)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029055539 561994990 /nfs/dbraw/zinc/99/49/90/561994990.db2.gz YAICTTBNWOLACU-RPWUZVMVSA-N 0 0 545.608 4.140 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)c4cccc(C)c4)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029055547 561995028 /nfs/dbraw/zinc/99/50/28/561995028.db2.gz DRAUGUMVJFZZLN-RPBOFIJWSA-N 0 0 523.655 4.171 1 0 KIAFRN CCOC(=O)/C=C/[C@H](CCC(N)=O)CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000029055730 561994986 /nfs/dbraw/zinc/99/49/86/561994986.db2.gz ZTRQNOUTGCQYCB-XZONTWPSSA-N 0 0 593.721 4.015 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccc(C)cc4)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029055819 561994984 /nfs/dbraw/zinc/99/49/84/561994984.db2.gz XLTWTLLOULZZJA-FTJBHMTQSA-N 0 0 537.682 4.166 1 0 KIAFRN CN(C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C1CCN(c2cccc3nccn32)CC1 ZINC000029055876 561995014 /nfs/dbraw/zinc/99/50/14/561995014.db2.gz NYVNKBGCLGMZEM-UHFFFAOYSA-N 0 0 511.047 4.432 1 0 KIAFRN CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(Br)cc4)cnc3OC(C)(C)[C@H]2O)cc1 ZINC000029056236 561995080 /nfs/dbraw/zinc/99/50/80/561995080.db2.gz QJNKIIBVWDIDPK-YADHBBJMSA-N 0 0 560.470 4.210 1 0 KIAFRN CCCn1c2cc(-c3ccc(O[C@@H](C)C(=O)N4CCc5ccccc5C4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029057369 561995271 /nfs/dbraw/zinc/99/52/71/561995271.db2.gz QIJQMGMWNNEWQE-FQEVSTJZSA-N 0 0 514.626 4.331 1 0 KIAFRN CCCn1c2cc(-c3ccc(O[C@H](C)C(=O)N4CCc5ccccc5C4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029057372 561995249 /nfs/dbraw/zinc/99/52/49/561995249.db2.gz QIJQMGMWNNEWQE-HXUWFJFHSA-N 0 0 514.626 4.331 1 0 KIAFRN CCCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029057376 561995264 /nfs/dbraw/zinc/99/52/64/561995264.db2.gz FUEMYLOSTYUJAL-UHFFFAOYSA-N 0 0 599.519 4.408 1 0 KIAFRN O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)c1ccc(Br)cc1 ZINC000029057633 561995237 /nfs/dbraw/zinc/99/52/37/561995237.db2.gz SRIOHAAPAJTZCW-UHFFFAOYSA-N 0 0 501.956 4.386 1 0 KIAFRN O=C(CN1C(=O)C(=O)c2cc(Br)cc(Br)c21)c1cccc(Br)c1 ZINC000029057778 561995252 /nfs/dbraw/zinc/99/52/52/561995252.db2.gz CHKYWCSCNASFRB-UHFFFAOYSA-N 0 0 501.956 4.386 1 0 KIAFRN CCCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5ccccc5Cl)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029057828 561995268 /nfs/dbraw/zinc/99/52/68/561995268.db2.gz RMAKKUPIQMHZBE-UHFFFAOYSA-N 0 0 564.086 4.359 1 0 KIAFRN CCCn1c2cc(-c3ccc(O[C@@H](C)C(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029057833 561995310 /nfs/dbraw/zinc/99/53/10/561995310.db2.gz HGCVDYJWBKDNNU-QFIPXVFZSA-N 0 0 543.668 4.094 1 0 KIAFRN CCCn1c2cc(-c3ccc(O[C@H](C)C(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029057838 561995320 /nfs/dbraw/zinc/99/53/20/561995320.db2.gz HGCVDYJWBKDNNU-JOCHJYFZSA-N 0 0 543.668 4.094 1 0 KIAFRN Cn1c2cc(-c3ccc(OCC(=O)N4CCC(c5ccccc5)(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O ZINC000029057978 561995318 /nfs/dbraw/zinc/99/53/18/561995318.db2.gz KVESXUWUIFEJCU-UHFFFAOYSA-N 0 0 548.643 4.220 1 0 KIAFRN O=C(COc1ccc(-c2cc3c([nH]2)c(=O)n(CC(F)(F)F)c(=O)n3CC(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 ZINC000029058258 561995341 /nfs/dbraw/zinc/99/53/41/561995341.db2.gz ACZPVONLWCNWJJ-UHFFFAOYSA-N 0 0 609.527 4.011 1 0 KIAFRN CCCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029058632 561995331 /nfs/dbraw/zinc/99/53/31/561995331.db2.gz LFSSHPZPGDYFIC-UHFFFAOYSA-N 0 0 564.086 4.359 1 0 KIAFRN CCCn1c2cc(-c3ccc(OCC(=O)N4CCN(c5nc6ccc(Cl)cc6s5)CC4)cc3)[nH]c2c(=O)n(C)c1=O ZINC000029058759 561995452 /nfs/dbraw/zinc/99/54/52/561995452.db2.gz AXULASFETXLXAO-UHFFFAOYSA-N 0 0 593.109 4.096 1 0 KIAFRN CCCn1c2cc(-c3ccc(OC(C)(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029059285 561995432 /nfs/dbraw/zinc/99/54/32/561995432.db2.gz RCNXLDXCCDAYCZ-UHFFFAOYSA-N 0 0 557.695 4.485 1 0 KIAFRN CCOC(=O)c1nn2c(c1C(=O)OCC)c1cc(NC(=O)Nc3cccc(C(=O)OCC)c3)c(Cl)cc1[nH]c2=O ZINC000029059574 561995517 /nfs/dbraw/zinc/99/55/17/561995517.db2.gz WCOFGBIUFGPKNK-UHFFFAOYSA-N 0 0 569.958 4.416 1 0 KIAFRN COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](C)NCc3nccs3)c2=O)c1F ZINC000029061013 561995785 /nfs/dbraw/zinc/99/57/85/561995785.db2.gz SHSXQSNMXRKMPX-HNNXBMFYSA-N 0 0 530.572 4.094 1 0 KIAFRN CCOC(=O)c1nn2c(c1C(=O)OCC)c1cc(NC(=O)Nc3ccc(C(=O)OCC)cc3)c(Cl)cc1[nH]c2=O ZINC000029061481 561995865 /nfs/dbraw/zinc/99/58/65/561995865.db2.gz LGFHUAJUQCFNCK-UHFFFAOYSA-N 0 0 569.958 4.416 1 0 KIAFRN CCN(CC)c1oc2cc(OC(C)=O)ccc2c(=O)c1Cc1c(OC(C)=O)ccc2c(C)cc(=O)oc21 ZINC000029061629 561995852 /nfs/dbraw/zinc/99/58/52/561995852.db2.gz MPTPAHVFEQDXJO-UHFFFAOYSA-N 0 0 505.523 4.495 1 0 KIAFRN CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(S(C)(=O)=O)n(CC(C)=O)n1 ZINC000029061914 561995887 /nfs/dbraw/zinc/99/58/87/561995887.db2.gz PGBDIVHQIBRHKM-UHFFFAOYSA-N 0 0 526.014 4.152 1 0 KIAFRN COC(=O)c1c(-c2ccc(CO)cc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC000029063484 561996221 /nfs/dbraw/zinc/99/62/21/561996221.db2.gz TVLQXWFJAFVMNR-UHFFFAOYSA-N 0 0 511.983 4.053 1 0 KIAFRN COC(=O)c1c(-c2cccc(CO)c2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC000029063489 561996187 /nfs/dbraw/zinc/99/61/87/561996187.db2.gz CHOAYBHGHQSHIQ-UHFFFAOYSA-N 0 0 511.983 4.053 1 0 KIAFRN O=C1NC(=O)[C@H](Cc2cc(I)c(Oc3ccc(O)c(C4CC4)c3)c(I)c2)N1 ZINC000029123797 561996996 /nfs/dbraw/zinc/99/69/96/561996996.db2.gz HFNOBCLNQQFRAY-HNNXBMFYSA-N 0 0 590.155 4.022 1 0 KIAFRN O=C1NC(=O)[C@@H](Cc2cc(I)c(Oc3ccc(O)c(C4CC4)c3)c(I)c2)N1 ZINC000029123799 561996978 /nfs/dbraw/zinc/99/69/78/561996978.db2.gz HFNOBCLNQQFRAY-OAHLLOKOSA-N 0 0 590.155 4.022 1 0 KIAFRN CC(C)c1cc(Oc2c(I)cc(C[C@@H]3NC(=O)NC3=O)cc2I)ccc1O ZINC000029123941 561996980 /nfs/dbraw/zinc/99/69/80/561996980.db2.gz JWJXVEFUJLKBBT-HNNXBMFYSA-N 0 0 592.171 4.268 1 0 KIAFRN CC(C)c1cc(Oc2c(I)cc(C[C@H]3NC(=O)NC3=O)cc2I)ccc1O ZINC000029123943 561996971 /nfs/dbraw/zinc/99/69/71/561996971.db2.gz JWJXVEFUJLKBBT-OAHLLOKOSA-N 0 0 592.171 4.268 1 0 KIAFRN CCCC[C@H](NC(=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nnc(-c2ccco2)o1 ZINC000029125013 561997229 /nfs/dbraw/zinc/99/72/29/561997229.db2.gz NLXIOLKMPAPISS-PMACEKPBSA-N 0 0 524.574 4.098 1 0 KIAFRN CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000029125456 561997636 /nfs/dbraw/zinc/99/76/36/561997636.db2.gz CFXDZWKOHJIHCS-DIQBKTCGSA-N 0 0 595.737 4.206 1 0 KIAFRN CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000029125535 561997723 /nfs/dbraw/zinc/99/77/23/561997723.db2.gz AVRGZSGQIWZAMC-QLQYCETDSA-N 0 0 561.720 4.009 1 0 KIAFRN CCN(CC)c1ccc2cc(C(=O)NCCCCNC(=O)CCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)c(=O)oc2c1 ZINC000029125600 561997843 /nfs/dbraw/zinc/99/78/43/561997843.db2.gz ZFWPJHVPHGLNTP-DEOSSOPVSA-N 0 0 631.730 4.064 1 0 KIAFRN CCOC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000029125672 561997873 /nfs/dbraw/zinc/99/78/73/561997873.db2.gz PUCLSOFFFSEYNY-BHWQCOLDSA-N 0 0 545.721 4.304 1 0 KIAFRN CCN(CC)c1ccc2cc(C(=O)NCCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)c(=O)oc2c1 ZINC000029125685 561997943 /nfs/dbraw/zinc/99/79/43/561997943.db2.gz JGXCNNCUSKZZRX-NRFANRHFSA-N 0 0 546.624 4.167 1 0 KIAFRN O=c1ccccn1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125835 561998078 /nfs/dbraw/zinc/99/80/78/561998078.db2.gz ZZCDITNUCFNEMT-HSZRJFAPSA-N 0 0 525.989 4.257 1 0 KIAFRN O=c1ccccn1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125836 561998073 /nfs/dbraw/zinc/99/80/73/561998073.db2.gz ZZCDITNUCFNEMT-QHCPKHFHSA-N 0 0 525.989 4.257 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1 ZINC000029125891 561998071 /nfs/dbraw/zinc/99/80/71/561998071.db2.gz SGFSFNNCXKZEQZ-HXUWFJFHSA-N 0 0 575.665 4.087 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c(F)c1 ZINC000029125892 561998063 /nfs/dbraw/zinc/99/80/63/561998063.db2.gz SGFSFNNCXKZEQZ-FQEVSTJZSA-N 0 0 575.665 4.087 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc(Cl)c3)C2=O)c(F)c1 ZINC000029125944 561998232 /nfs/dbraw/zinc/99/82/32/561998232.db2.gz XKVFZQILGAGVTI-OAQYLSRUSA-N 0 0 537.034 4.024 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc(Cl)c3)C2=O)c(F)c1 ZINC000029125945 561998234 /nfs/dbraw/zinc/99/82/34/561998234.db2.gz XKVFZQILGAGVTI-NRFANRHFSA-N 0 0 537.034 4.024 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029125982 561998296 /nfs/dbraw/zinc/99/82/96/561998296.db2.gz MZFWRIWUKKIZFN-QGZVFWFLSA-N 0 0 543.063 4.085 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029125983 561998281 /nfs/dbraw/zinc/99/82/81/561998281.db2.gz MZFWRIWUKKIZFN-KRWDZBQOSA-N 0 0 543.063 4.085 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c(F)c1 ZINC000029125984 561998304 /nfs/dbraw/zinc/99/83/04/561998304.db2.gz OQOPYHYINIESRI-OAQYLSRUSA-N 0 0 537.034 4.024 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2=O)c(F)c1 ZINC000029125985 561998311 /nfs/dbraw/zinc/99/83/11/561998311.db2.gz OQOPYHYINIESRI-NRFANRHFSA-N 0 0 537.034 4.024 1 0 KIAFRN CN(C)Cc1nccn1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029126070 561998428 /nfs/dbraw/zinc/99/84/28/561998428.db2.gz AIIIGKLNGWXHFW-XMMPIXPASA-N 0 0 556.063 4.354 1 0 KIAFRN CN(C)Cc1nccn1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029126071 561998398 /nfs/dbraw/zinc/99/83/98/561998398.db2.gz AIIIGKLNGWXHFW-DEOSSOPVSA-N 0 0 556.063 4.354 1 0 KIAFRN CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2COC(=O)CCc1ccccc1 ZINC000029126783 561998932 /nfs/dbraw/zinc/99/89/32/561998932.db2.gz NGHLJRBYGDWUHY-WJOKGBTCSA-N 0 0 524.573 4.146 1 0 KIAFRN CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2COC(=O)CCc1ccccc1 ZINC000029126784 561998935 /nfs/dbraw/zinc/99/89/35/561998935.db2.gz NGHLJRBYGDWUHY-HKBQPEDESA-N 0 0 524.573 4.146 1 0 KIAFRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCC2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127097 561999434 /nfs/dbraw/zinc/99/94/34/561999434.db2.gz HWNLTPXRJQGMPC-KCIBBDPESA-N 0 0 613.763 4.208 1 0 KIAFRN Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000029127123 561999479 /nfs/dbraw/zinc/99/94/79/561999479.db2.gz BCVLVGSGZQVOKG-UHFFFAOYSA-N 0 0 519.985 4.342 1 0 KIAFRN O=C1NC(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(OCCCN3CCOCC3)c(O)cc21 ZINC000029127360 561999762 /nfs/dbraw/zinc/99/97/62/561999762.db2.gz PRKCCLJEHATTSX-UHFFFAOYSA-N 0 0 505.958 4.332 1 0 KIAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(COC(=O)/C=C/c2ccccc2)c1C3 ZINC000029127534 561999984 /nfs/dbraw/zinc/99/99/84/561999984.db2.gz STOJQJKRHIBTEH-MSDMSBKNSA-N 0 0 522.557 4.226 1 0 KIAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(COC(=O)/C=C/c2ccccc2)c1C3 ZINC000029127535 561999927 /nfs/dbraw/zinc/99/99/27/561999927.db2.gz STOJQJKRHIBTEH-NMRIGVFYSA-N 0 0 522.557 4.226 1 0 KIAFRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(COCCO)C2)cc1 ZINC000029127905 562000329 /nfs/dbraw/zinc/00/03/29/562000329.db2.gz ONRIJZVBAOPUHE-GDLZYMKVSA-N 0 0 539.673 4.338 1 0 KIAFRN COc1nc(NCCN2CCOCC2)ncc1C(=O)Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1C ZINC000029127911 562000358 /nfs/dbraw/zinc/00/03/58/562000358.db2.gz WUMDGSDOEVTXMW-UHFFFAOYSA-N 0 0 558.561 4.061 1 0 KIAFRN COCCOC[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000029127957 562000505 /nfs/dbraw/zinc/00/05/05/562000505.db2.gz RROWGHHVPJSOMA-HHHXNRCGSA-N 0 0 511.619 4.003 1 0 KIAFRN CCN(C(=O)[C@H]1S[C@@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)[C@H](O)[C@@H]1O)c1ccccc1 ZINC000029128133 562000561 /nfs/dbraw/zinc/00/05/61/562000561.db2.gz REMDNJBPGYCGTO-CMCWBKRRSA-N 0 0 650.930 4.085 1 0 KIAFRN O=C(Nc1cc(-c2cccc(F)c2F)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000029128798 562001249 /nfs/dbraw/zinc/00/12/49/562001249.db2.gz GTIVALHFRYXWRY-UHFFFAOYSA-N 0 0 548.472 4.263 1 0 KIAFRN O=C(Nc1cc(-c2cccc(F)c2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000029128844 562001218 /nfs/dbraw/zinc/00/12/18/562001218.db2.gz XWYBCZLTGWYNFJ-UHFFFAOYSA-N 0 0 530.482 4.124 1 0 KIAFRN O=C(Nc1cc(-c2ccccc2F)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000029128848 562001296 /nfs/dbraw/zinc/00/12/96/562001296.db2.gz KWFVVFFVJWGHHI-UHFFFAOYSA-N 0 0 530.482 4.124 1 0 KIAFRN COP(=O)(N[C@H]1CO[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC ZINC000029128951 562001410 /nfs/dbraw/zinc/00/14/10/562001410.db2.gz BKDLVUAMNOKZPA-CXSMSNRLSA-N 0 0 601.482 4.124 1 0 KIAFRN O=C(Nc1cc(-c2ccsc2)cn(CC(F)(F)F)c1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000029128989 562001641 /nfs/dbraw/zinc/00/16/41/562001641.db2.gz FFKPPUNDGBQEFD-UHFFFAOYSA-N 0 0 518.521 4.046 1 0 KIAFRN C[C@H](CC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nnnn2C)cc(C(C)(C)C(=O)[O-])c1 ZINC000029129117 562001561 /nfs/dbraw/zinc/00/15/61/562001561.db2.gz HJYDRMMVPRLQMJ-CTNGQTDRSA-N 0 0 551.667 4.233 1 0 KIAFRN CC(C)(C)[C@@H]1CCNC(=O)[C@@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129131 562001734 /nfs/dbraw/zinc/00/17/34/562001734.db2.gz ALVBQHIETRKVBZ-YKSBVNFPSA-N 0 0 532.106 4.364 1 0 KIAFRN CC(C)(C)[C@H]1CCNC(=O)[C@@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129132 562001715 /nfs/dbraw/zinc/00/17/15/562001715.db2.gz ALVBQHIETRKVBZ-RDPSFJRHSA-N 0 0 532.106 4.364 1 0 KIAFRN CC(C)(C)[C@@H]1CCNC(=O)[C@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129133 562001675 /nfs/dbraw/zinc/00/16/75/562001675.db2.gz ALVBQHIETRKVBZ-HYBUGGRVSA-N 0 0 532.106 4.364 1 0 KIAFRN CC(C)(C)[C@H]1CCNC(=O)[C@H](N(Cc2ccc(C(=O)NC3CC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000029129134 562001677 /nfs/dbraw/zinc/00/16/77/562001677.db2.gz ALVBQHIETRKVBZ-GBXCKJPGSA-N 0 0 532.106 4.364 1 0 KIAFRN CC(C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1 ZINC000029129286 562001797 /nfs/dbraw/zinc/00/17/97/562001797.db2.gz DYFRVDHUQASANK-UHFFFAOYSA-N 0 0 587.098 4.267 1 0 KIAFRN CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1 ZINC000029129455 562001921 /nfs/dbraw/zinc/00/19/21/562001921.db2.gz JQDOPFIRNIQEFE-UHFFFAOYSA-N 0 0 574.055 4.306 1 0 KIAFRN C[C@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)C(=O)N(C)CCO ZINC000029129963 562002099 /nfs/dbraw/zinc/00/20/99/562002099.db2.gz WZEUNGUUUBFSGF-KRWDZBQOSA-N 0 0 507.978 4.219 1 0 KIAFRN C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)C(=O)N(C)CCO ZINC000029129970 562002304 /nfs/dbraw/zinc/00/23/04/562002304.db2.gz WZEUNGUUUBFSGF-QGZVFWFLSA-N 0 0 507.978 4.219 1 0 KIAFRN O=C(COc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c21)N1CCOCC1 ZINC000029130050 562002254 /nfs/dbraw/zinc/00/22/54/562002254.db2.gz IIDKWOQWPGRLIW-UHFFFAOYSA-N 0 0 505.962 4.238 1 0 KIAFRN CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(C(F)(F)F)o1 ZINC000029130282 562002349 /nfs/dbraw/zinc/00/23/49/562002349.db2.gz WRYKATOCEQATEA-UEVCKROQSA-N 0 0 519.564 4.021 1 0 KIAFRN COc1ccc(-c2cn(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000029130485 562002554 /nfs/dbraw/zinc/00/25/54/562002554.db2.gz MAKFHTCKNLJRQQ-UHFFFAOYSA-N 0 0 581.578 4.152 1 0 KIAFRN COc1ccc(-c2cn(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000029130500 562002498 /nfs/dbraw/zinc/00/24/98/562002498.db2.gz VVOANWANPSMKBB-UHFFFAOYSA-N 0 0 580.594 4.029 1 0 KIAFRN CN(C)Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000029130542 562002728 /nfs/dbraw/zinc/00/27/28/562002728.db2.gz KCAWJHOCWIRPFO-LJQANCHMSA-N 0 0 548.065 4.025 1 0 KIAFRN CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3cc4cc(Cl)ccc4s3)C2=O)c(F)c1 ZINC000029130544 562002725 /nfs/dbraw/zinc/00/27/25/562002725.db2.gz KCAWJHOCWIRPFO-IBGZPJMESA-N 0 0 548.065 4.025 1 0 KIAFRN COc1ccc(-c2cn(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029130587 562002724 /nfs/dbraw/zinc/00/27/24/562002724.db2.gz WWAINSFBDFQZJB-UHFFFAOYSA-N 0 0 595.605 4.455 1 0 KIAFRN 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CC(C)CCC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029345727 562016268 /nfs/dbraw/zinc/01/62/68/562016268.db2.gz WYTJYTNQWLQXNY-WXIAYYLYSA-N 0 0 585.790 4.291 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 ZINC000029346272 562016235 /nfs/dbraw/zinc/01/62/35/562016235.db2.gz XNVGWPYPQGBJJT-ZDCRTTOTSA-N 0 0 642.797 4.264 1 0 KIAFRN CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CCc1ccccc1 ZINC000029346547 562016365 /nfs/dbraw/zinc/01/63/65/562016365.db2.gz BMAQDUHKRYZROC-VCWDAVCJSA-N 0 0 539.717 4.152 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 ZINC000029347045 562016318 /nfs/dbraw/zinc/01/63/18/562016318.db2.gz MIQDHSJSFPFQOV-NMYDEOLLSA-N 0 0 642.797 4.264 1 0 KIAFRN CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCC1 ZINC000029348373 562016669 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562016883 /nfs/dbraw/zinc/01/68/83/562016883.db2.gz HUSFNZORCKCZQT-HSZRJFAPSA-N 0 0 502.640 4.440 1 0 KIAFRN COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ccccn1)C(C)=O ZINC000029389241 562017058 /nfs/dbraw/zinc/01/70/58/562017058.db2.gz HUSFNZORCKCZQT-QHCPKHFHSA-N 0 0 502.640 4.440 1 0 KIAFRN O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000029389814 562017017 /nfs/dbraw/zinc/01/70/17/562017017.db2.gz OAFMEAWUYFZEGB-YIXXDRMTSA-N 0 0 647.547 4.500 1 0 KIAFRN O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CCNS(=O)(=O)CCCN2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029389831 562016979 /nfs/dbraw/zinc/01/69/79/562016979.db2.gz GVDLCXQBFCFNDJ-GRKNLSHJSA-N 0 0 679.692 4.437 1 0 KIAFRN CCOc1nc2c(cccc2OCc2c(C)ccc(N(C)C(=O)CNC(=O)/C=C/c3ccc(C(=O)NC)cc3)c2C)n1C ZINC000029390662 562017323 /nfs/dbraw/zinc/01/73/23/562017323.db2.gz OYGXRMUXXLTYPE-NBVRZTHBSA-N 0 0 583.689 4.320 1 0 KIAFRN Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](F)[C@@H]2F)c(=O)[nH]c1=O 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COc1cccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2OC)C(C)=O)c1 ZINC000029395025 562018238 /nfs/dbraw/zinc/01/82/38/562018238.db2.gz UUJQVACJUNWDCP-DEOSSOPVSA-N 0 0 515.610 4.340 1 0 KIAFRN Cc1cccc(CNC(=O)C[C@H]2S[C@H](c3ccc(Cl)cc3Cl)N(CC(=O)NCCCN3CCOCC3)C2=O)c1C ZINC000029395472 562018405 /nfs/dbraw/zinc/01/84/05/562018405.db2.gz KLSPPLPVUSPEIE-VAVYLYDRSA-N 0 0 607.604 4.098 1 0 KIAFRN CCCCc1nc2ccn(CC(=O)NC(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029396078 562018606 /nfs/dbraw/zinc/01/86/06/562018606.db2.gz NTVPMPFYEITAQZ-UHFFFAOYSA-N 0 0 538.656 4.351 1 0 KIAFRN CCCCc1nc2ccn(CC(=O)N3CCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029396098 562018614 /nfs/dbraw/zinc/01/86/14/562018614.db2.gz SGKFZODOLUDBTL-UHFFFAOYSA-N 0 0 536.640 4.058 1 0 KIAFRN COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1OC)C(C)=O ZINC000029396137 562018621 /nfs/dbraw/zinc/01/86/21/562018621.db2.gz OAHIKBKHNJMARY-XMMPIXPASA-N 0 0 515.610 4.340 1 0 KIAFRN COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1OC)C(C)=O ZINC000029396139 562018623 /nfs/dbraw/zinc/01/86/23/562018623.db2.gz OAHIKBKHNJMARY-DEOSSOPVSA-N 0 0 515.610 4.340 1 0 KIAFRN COc1ccc(OCC(=O)N[C@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2OC)C(C)=O)cc1 ZINC000029396848 562018853 /nfs/dbraw/zinc/01/88/53/562018853.db2.gz SIBIOTUKPPIJSS-XMMPIXPASA-N 0 0 515.610 4.340 1 0 KIAFRN COc1ccc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2OC)C(C)=O)cc1 ZINC000029396851 562018871 /nfs/dbraw/zinc/01/88/71/562018871.db2.gz SIBIOTUKPPIJSS-DEOSSOPVSA-N 0 0 515.610 4.340 1 0 KIAFRN COc1ccc2c(c1)CC[C@H](NC(=O)CN1CCC(n3c4ccccc4[nH]c3=O)CC1)[C@@H]2Cc1cccnc1 ZINC000029397720 562019085 /nfs/dbraw/zinc/01/90/85/562019085.db2.gz XGRFTVVYUASJBI-SXOMAYOGSA-N 0 0 525.653 4.240 1 0 KIAFRN COc1ccc2c(c1)CC[C@H](NC(=O)CN1CCC(n3c4ccccc4[nH]c3=O)CC1)[C@H]2Cc1cccnc1 ZINC000029397724 562019108 /nfs/dbraw/zinc/01/91/08/562019108.db2.gz XGRFTVVYUASJBI-SVBPBHIXSA-N 0 0 525.653 4.240 1 0 KIAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)CN1CCC(n3c4ccccc4[nH]c3=O)CC1)[C@@H]2Cc1cccnc1 ZINC000029397727 562019133 /nfs/dbraw/zinc/01/91/33/562019133.db2.gz XGRFTVVYUASJBI-KAYWLYCHSA-N 0 0 525.653 4.240 1 0 KIAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)CN1CCC(n3c4ccccc4[nH]c3=O)CC1)[C@H]2Cc1cccnc1 ZINC000029397730 562019093 /nfs/dbraw/zinc/01/90/93/562019093.db2.gz XGRFTVVYUASJBI-RRPNLBNLSA-N 0 0 525.653 4.240 1 0 KIAFRN O=C(CN1[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N(Cc2ccc(-c3cccs3)cc2)S1(=O)=O)Nc1nccs1 ZINC000029398631 562019211 /nfs/dbraw/zinc/01/92/11/562019211.db2.gz VJIXURHCUSPWQO-RYNFHTSCSA-N 0 0 706.868 4.490 1 0 KIAFRN CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1cccc2cccnc21 ZINC000029398711 562019268 /nfs/dbraw/zinc/01/92/68/562019268.db2.gz ABEPSBWODXCWNX-VATRQPNGSA-N 0 0 652.858 4.454 1 0 KIAFRN COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccc2c(c1)OCCO2)C(C)=O ZINC000029400831 562019745 /nfs/dbraw/zinc/01/97/45/562019745.db2.gz 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4.187 1 0 KIAFRN Cc1nc(-c2ccccc2)nc(C(=O)N2CCN(C(=O)/C=C/c3ccccc3)[C@H](C)C2)c1C(=O)OC(C)C ZINC000035174281 562044846 /nfs/dbraw/zinc/04/48/46/562044846.db2.gz KASIHEVLTZLALY-UFBKIKKCSA-N 0 0 512.610 4.404 1 0 KIAFRN Cc1nc(-c2ccccc2)nc(C(=O)N2CCN(C(=O)/C=C/c3ccccc3)[C@@H](C)C2)c1C(=O)OC(C)C ZINC000035174285 562044863 /nfs/dbraw/zinc/04/48/63/562044863.db2.gz KASIHEVLTZLALY-ANUWBXLYSA-N 0 0 512.610 4.404 1 0 KIAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)NC(C)C)CC2)c2ccccc12 ZINC000035242588 562044968 /nfs/dbraw/zinc/04/49/68/562044968.db2.gz BCPVJZZVPJKYEL-UHFFFAOYSA-N 0 0 508.644 4.261 1 0 KIAFRN COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)[C@H](O)C3)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2 ZINC000035276592 562045120 /nfs/dbraw/zinc/04/51/20/562045120.db2.gz RFLJGOACFXZRHJ-BHWVVENISA-N 0 0 510.627 4.107 1 0 in-vitro KIAFRN COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)[C@@H](O)C3)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2 ZINC000035276596 562045141 /nfs/dbraw/zinc/04/51/41/562045141.db2.gz RFLJGOACFXZRHJ-HCGPEOTMSA-N 0 0 510.627 4.107 1 0 in-vitro KIAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3cccnc3)nc2N)cc1I ZINC000035297931 562045130 /nfs/dbraw/zinc/04/51/30/562045130.db2.gz IHNHMMFNGTVVAB-UHFFFAOYSA-N 0 0 505.316 4.235 1 0 KIAFRN COc1cc(C(C)C)c(Oc2cnc(NC(=O)c3ccccn3)nc2N)cc1I ZINC000035297940 562045109 /nfs/dbraw/zinc/04/51/09/562045109.db2.gz YAQRULIDSUOGIX-UHFFFAOYSA-N 0 0 505.316 4.235 1 0 KIAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2ccccn2)cc1I ZINC000035297944 562045135 /nfs/dbraw/zinc/04/51/35/562045135.db2.gz JDVGDKICJFMVCY-UHFFFAOYSA-N 0 0 505.316 4.235 1 0 KIAFRN CO/C=C(/C(=O)OC)c1ccccc1CSc1nnc(CSc2nc3nc(C)cc(C)n3n2)s1 ZINC000035328657 562045247 /nfs/dbraw/zinc/04/52/47/562045247.db2.gz FOJHQTZRVGSZOG-LICLKQGHSA-N 0 0 514.658 4.338 1 0 KIAFRN Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)nnn1Cc1ccccc1 ZINC000035835717 562045521 /nfs/dbraw/zinc/04/55/21/562045521.db2.gz AARWRAFDYZSYPD-UHFFFAOYSA-N 0 0 501.462 4.274 1 0 KIAFRN CC(C)(C)c1cc(C(=O)N2CCNS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 ZINC000035881003 562045684 /nfs/dbraw/zinc/04/56/84/562045684.db2.gz LEWJIOBXCCELHK-UHFFFAOYSA-N 0 0 500.646 4.218 1 0 KIAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035881097 562045618 /nfs/dbraw/zinc/04/56/18/562045618.db2.gz GKDILEMEJZZFKD-DXIQSLLYSA-N 0 0 503.382 4.083 1 0 KIAFRN COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000035881099 562045665 /nfs/dbraw/zinc/04/56/65/562045665.db2.gz GKDILEMEJZZFKD-XQBPLPMBSA-N 0 0 503.382 4.083 1 0 KIAFRN COc1cc(OC)cc(-c2cc(=O)c3ccc(OC[C@H](O)CN4CCN(c5ccccc5)CC4)cc3o2)c1 ZINC000035923279 562045742 /nfs/dbraw/zinc/04/57/42/562045742.db2.gz VEFGHGXUZUXBRO-HSZRJFAPSA-N 0 0 516.594 4.039 1 0 KIAFRN COc1cc(OC)cc(-c2cc(=O)c3ccc(OC[C@@H](O)CN4CCN(c5ccccc5)CC4)cc3o2)c1 ZINC000035923280 562045748 /nfs/dbraw/zinc/04/57/48/562045748.db2.gz VEFGHGXUZUXBRO-QHCPKHFHSA-N 0 0 516.594 4.039 1 0 KIAFRN Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc12 ZINC000035975318 562046057 /nfs/dbraw/zinc/04/60/57/562046057.db2.gz RKYAKLHNWRREPV-UHFFFAOYSA-N 0 0 525.034 4.039 1 0 KIAFRN COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H]3CCC[C@H]([NH2+]Cc4ccccc4)C3)cc2)cc1 ZINC000036089056 562046760 /nfs/dbraw/zinc/04/67/60/562046760.db2.gz ZYWQCDFNGKDOSB-DXBVXKBHSA-N 0 0 508.640 4.442 1 0 KIAFRN COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H]3CCC[C@H]([NH2+]Cc4ccccc4)C3)cc2)cc1 ZINC000036089063 562046774 /nfs/dbraw/zinc/04/67/74/562046774.db2.gz ZYWQCDFNGKDOSB-DPZBCOQUSA-N 0 0 508.640 4.442 1 0 KIAFRN COc1cc(C(=O)NN2c3ccccc3N=C(N3CCN(C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC ZINC000036089407 562046956 /nfs/dbraw/zinc/04/69/56/562046956.db2.gz GBUIXGKLAPQZFJ-UHFFFAOYSA-N 0 0 536.032 4.488 1 0 KIAFRN COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc32)cc(OC)c1OC ZINC000036089466 562047109 /nfs/dbraw/zinc/04/71/09/562047109.db2.gz PUAJJDPOGQASSI-UHFFFAOYSA-N 0 0 536.032 4.488 1 0 KIAFRN COc1cccc(OC)c1C(=O)NN1c2ccccc2N=C(N2CCN(C)CC2)c2cc(Cl)ccc21 ZINC000036089502 562047049 /nfs/dbraw/zinc/04/70/49/562047049.db2.gz XNTIHSLDWFOSCV-UHFFFAOYSA-N 0 0 506.006 4.479 1 0 KIAFRN CCNc1ccc([C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 ZINC000036093426 562047203 /nfs/dbraw/zinc/04/72/03/562047203.db2.gz NARAZZSRADOLSU-FIBWVYCGSA-N 0 0 597.757 4.147 1 0 KIAFRN CCC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H]2CCOC2=O)O1 ZINC000036113910 562047458 /nfs/dbraw/zinc/04/74/58/562047458.db2.gz SAVSWSLDYAAIDF-CELQMKJTSA-N 0 0 526.642 4.426 1 0 KIAFRN CCC[C@@H]1O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H]2CCOC2=O)O1 ZINC000036113912 562047452 /nfs/dbraw/zinc/04/74/52/562047452.db2.gz SAVSWSLDYAAIDF-AJMNZRGXSA-N 0 0 526.642 4.426 1 0 KIAFRN CCC[C@@H]1O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H]2CCOC2=O)O1 ZINC000036113914 562047473 /nfs/dbraw/zinc/04/74/73/562047473.db2.gz SAVSWSLDYAAIDF-CNVMOSFFSA-N 0 0 526.642 4.426 1 0 KIAFRN CN(CC(=O)[O-])C(=[NH2+])c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000036126767 562047617 /nfs/dbraw/zinc/04/76/17/562047617.db2.gz WNNYSMQZUJIVFQ-UHFFFAOYSA-N 0 0 500.342 4.235 1 0 KIAFRN OCc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H](COCc2ccc(CO)cc2)OCc2ccccc2)cc1 ZINC000036139922 562047816 /nfs/dbraw/zinc/04/78/16/562047816.db2.gz XVHHRLFERBKTML-VKAPFSNZSA-N 0 0 602.724 4.297 1 0 KIAFRN COC(=O)N[C@H](Cc1ccccc1-c1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000036140485 562048031 /nfs/dbraw/zinc/04/80/31/562048031.db2.gz ITPCOYBFHFPVCV-QCENPCRXSA-N 0 0 624.804 4.197 1 0 KIAFRN NC(=O)Cn1c(Br)nc2c1c(Br)c(Br)c(Br)c2Br ZINC000036144198 562048254 /nfs/dbraw/zinc/04/82/54/562048254.db2.gz JVAJCXQLQKHJCT-UHFFFAOYSA-N 0 0 569.671 4.334 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000036144383 562048270 /nfs/dbraw/zinc/04/82/70/562048270.db2.gz UJANRKZKISPIBJ-DNMLDJFRSA-N 0 0 545.724 4.308 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC ZINC000036144392 562048226 /nfs/dbraw/zinc/04/82/26/562048226.db2.gz YHTKRGDAFFBWEU-HRYCJUHNSA-N 0 0 511.707 4.111 1 0 KIAFRN CC(C)OC(=O)CCC(=O)O[C@]1(C(=O)CCl)[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 ZINC000036159616 562048330 /nfs/dbraw/zinc/04/83/30/562048330.db2.gz ITGLZIFDZRGHLP-USAOXFDNSA-N 0 0 553.067 4.425 1 0 KIAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CC(F)F)CC3)cn2)c(F)c1 ZINC000036161547 562048785 /nfs/dbraw/zinc/04/87/85/562048785.db2.gz CQPMFDYJJMEXAC-UHFFFAOYSA-N 0 0 530.522 4.448 1 0 KIAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(CCF)CC3)cn2)c(F)c1 ZINC000036161568 562048798 /nfs/dbraw/zinc/04/87/98/562048798.db2.gz HWAYQVLYHKHIPR-UHFFFAOYSA-N 0 0 512.532 4.153 1 0 KIAFRN CCCN1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175561 562048949 /nfs/dbraw/zinc/04/89/49/562048949.db2.gz OBEHBYVZGXFFMR-UZQPLGKSSA-N 0 0 519.035 4.016 1 0 KIAFRN CC(C)N1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175565 562048923 /nfs/dbraw/zinc/04/89/23/562048923.db2.gz KIKHYLCLMBUGBG-UZQPLGKSSA-N 0 0 519.035 4.015 1 0 KIAFRN CC(C)(C)N1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O ZINC000036175570 562048944 /nfs/dbraw/zinc/04/89/44/562048944.db2.gz ZYRMZCQXHXDRBU-VSUDMRMVSA-N 0 0 533.062 4.405 1 0 KIAFRN O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@@H]2NS(=O)(=O)N(C3CCC3)C[C@@H]2C1 ZINC000036175608 562049004 /nfs/dbraw/zinc/04/90/04/562049004.db2.gz QJVCGYBQNGBULL-UQDCGMOVSA-N 0 0 531.046 4.159 1 0 KIAFRN COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000036175864 562049123 /nfs/dbraw/zinc/04/91/23/562049123.db2.gz DINAVFJXFRFCRE-ATIZSFMBSA-N 0 0 640.822 4.424 1 0 KIAFRN COC(=O)[C@@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000036175867 562049125 /nfs/dbraw/zinc/04/91/25/562049125.db2.gz RARVWDBODUOHND-TWJOJJKGSA-N 0 0 541.689 4.283 1 0 KIAFRN COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000036175870 562049127 /nfs/dbraw/zinc/04/91/27/562049127.db2.gz DINAVFJXFRFCRE-MIPYOGIXSA-N 0 0 640.822 4.424 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000036177779 562049430 /nfs/dbraw/zinc/04/94/30/562049430.db2.gz AXTGDADPVWGFHK-SANMLTNESA-N 0 0 576.579 4.449 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O ZINC000036177796 562049450 /nfs/dbraw/zinc/04/94/50/562049450.db2.gz DVOYYJOBWWTHGZ-HHHXNRCGSA-N 0 0 522.609 4.048 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C1=O ZINC000036177799 562049427 /nfs/dbraw/zinc/04/94/27/562049427.db2.gz DVOYYJOBWWTHGZ-MHZLTWQESA-N 0 0 522.609 4.048 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3cnccc3NC2=O)CC1 ZINC000036177810 562049471 /nfs/dbraw/zinc/04/94/71/562049471.db2.gz VINJYNHLDRNZMN-SANMLTNESA-N 0 0 591.594 4.376 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3ncccc3NC2=O)CC1 ZINC000036177813 562049459 /nfs/dbraw/zinc/04/94/59/562049459.db2.gz LLZSWYVZJCATSU-SANMLTNESA-N 0 0 591.594 4.376 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3cccnc3NC2=O)CC1 ZINC000036177820 562049452 /nfs/dbraw/zinc/04/94/52/562049452.db2.gz DIUPIPJGFBZPQQ-SANMLTNESA-N 0 0 591.594 4.376 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3ccncc3NC2=O)CC1 ZINC000036177823 562049485 /nfs/dbraw/zinc/04/94/85/562049485.db2.gz VVNUSRVWEZRZFD-SANMLTNESA-N 0 0 591.594 4.376 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@H](c3ccncc3)NC2=O)CC1 ZINC000036177874 562049564 /nfs/dbraw/zinc/04/95/64/562049564.db2.gz WWTGPTRYHIVKDU-SQHAQQRYSA-N 0 0 605.621 4.095 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@@H](c3ccncc3)NC2=O)CC1 ZINC000036177878 562049566 /nfs/dbraw/zinc/04/95/66/562049566.db2.gz WWTGPTRYHIVKDU-IGKIAQTJSA-N 0 0 605.621 4.095 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@H](c3cccnc3)NC2=O)CC1 ZINC000036177886 562049582 /nfs/dbraw/zinc/04/95/82/562049582.db2.gz MODDEHGGCIZLAD-SQHAQQRYSA-N 0 0 605.621 4.095 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@@H](c3cccnc3)NC2=O)CC1 ZINC000036177891 562049588 /nfs/dbraw/zinc/04/95/88/562049588.db2.gz MODDEHGGCIZLAD-IGKIAQTJSA-N 0 0 605.621 4.095 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@H](c3ccccn3)NC2=O)CC1 ZINC000036177902 562049563 /nfs/dbraw/zinc/04/95/63/562049563.db2.gz OMRUELRQHOQYQY-SQHAQQRYSA-N 0 0 605.621 4.095 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2C[C@@H](c3ccccn3)NC2=O)CC1 ZINC000036177906 562049577 /nfs/dbraw/zinc/04/95/77/562049577.db2.gz OMRUELRQHOQYQY-IGKIAQTJSA-N 0 0 605.621 4.095 1 0 KIAFRN CC(C)c1cn(C2CCN(C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)CC2)c(=O)[nH]1 ZINC000036177912 562049592 /nfs/dbraw/zinc/04/95/92/562049592.db2.gz ACRITJBLUVYWQP-VWLOTQADSA-N 0 0 568.600 4.419 1 0 KIAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(n2cc(-c3ccccn3)[nH]c2=O)CC1 ZINC000036177943 562049661 /nfs/dbraw/zinc/04/96/61/562049661.db2.gz GLDCZEIFTKNZAP-MHZLTWQESA-N 0 0 603.605 4.358 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)OCc3ccccc3)[C@H]2C(=O)OCc2ccccc2)C1 ZINC000036178665 562049777 /nfs/dbraw/zinc/04/97/77/562049777.db2.gz NVKGRFHLDCHWEL-CRNKYVSFSA-N 0 0 635.758 4.231 1 0 KIAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N2[C@H](C(=O)OCc3ccccc3)[C@H]2C(=O)OCc2ccccc2)C1 ZINC000036178756 562049776 /nfs/dbraw/zinc/04/97/76/562049776.db2.gz NVKGRFHLDCHWEL-VVZGZWEYSA-N 0 0 635.758 4.231 1 0 KIAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)OCc3ccccc3)[C@H]2C(=O)OCc2ccccc2)C1 ZINC000036178773 562049768 /nfs/dbraw/zinc/04/97/68/562049768.db2.gz NVKGRFHLDCHWEL-DZUOILHNSA-N 0 0 635.758 4.231 1 0 KIAFRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N2[C@H](C(=O)OCc3ccccc3)[C@H]2C(=O)OCc2ccccc2)C1 ZINC000036178776 562049767 /nfs/dbraw/zinc/04/97/67/562049767.db2.gz NVKGRFHLDCHWEL-GKQHHHCTSA-N 0 0 635.758 4.231 1 0 KIAFRN O=C(N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NC[C@@H]1CC(Br)=NO1)OCc1cnc2ccccc2c1 ZINC000036184589 562050306 /nfs/dbraw/zinc/05/03/06/562050306.db2.gz SUDBOOMQYSPULE-CVDCTZTESA-N 0 0 568.403 4.306 1 0 KIAFRN O=C(N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)NC[C@H]1CC(Br)=NO1)OCc1cnc2ccccc2c1 ZINC000036184590 562050273 /nfs/dbraw/zinc/05/02/73/562050273.db2.gz SUDBOOMQYSPULE-XXBNENTESA-N 0 0 568.403 4.306 1 0 KIAFRN COc1ccc(CSc2cnc(NC(=O)c3ccc(N(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 ZINC000036184830 562050441 /nfs/dbraw/zinc/05/04/41/562050441.db2.gz 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4.058 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2ccc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)s2)CC1 ZINC000036184852 562050442 /nfs/dbraw/zinc/05/04/42/562050442.db2.gz RVSKMYIRDKWVJE-UHFFFAOYSA-N 0 0 529.713 4.120 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2cc(C)cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1 ZINC000036184853 562050447 /nfs/dbraw/zinc/05/04/47/562050447.db2.gz QGACHVMLSDBCDF-UHFFFAOYSA-N 0 0 537.711 4.366 1 0 KIAFRN COc1cc(CSc2cnc(NC(=O)c3ccc(N(C)C)cc3)s2)cc(C(=O)N2CCN(C(C)=O)CC2)c1 ZINC000036184856 562050450 /nfs/dbraw/zinc/05/04/50/562050450.db2.gz MCOTWBOPJHLZIX-UHFFFAOYSA-N 0 0 553.710 4.067 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2ccc(C)c(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1 ZINC000036184877 562050535 /nfs/dbraw/zinc/05/05/35/562050535.db2.gz HJANPQFKWPVSDK-UHFFFAOYSA-N 0 0 523.684 4.225 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)ccc2C)CC1 ZINC000036184881 562050534 /nfs/dbraw/zinc/05/05/34/562050534.db2.gz MBQXWTBSEOBPNA-UHFFFAOYSA-N 0 0 523.684 4.225 1 0 KIAFRN CC(=O)N1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2O)CC1 ZINC000036184884 562050494 /nfs/dbraw/zinc/05/04/94/562050494.db2.gz MBSUFDFTBSAUCT-UHFFFAOYSA-N 0 0 534.461 4.205 1 0 KIAFRN CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000036184903 562050671 /nfs/dbraw/zinc/05/06/71/562050671.db2.gz ILPPYSQNXLYJCB-BHLSWWIFSA-N 0 0 641.831 4.019 1 0 KIAFRN Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)N3CCCC3)CC2)c2ccccc12 ZINC000036184929 562050681 /nfs/dbraw/zinc/05/06/81/562050681.db2.gz XVLLKCMFVWAZFA-UHFFFAOYSA-N 0 0 520.655 4.359 1 0 KIAFRN CC(C)[C@@H](Nc1ccccc1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)C(=O)[O-] ZINC000036187748 562050910 /nfs/dbraw/zinc/05/09/10/562050910.db2.gz GSZHOWDOPPWVOO-XMMPIXPASA-N 0 0 509.676 4.150 1 0 KIAFRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C ZINC000036188297 581098718 /nfs/dbraw/zinc/09/87/18/581098718.db2.gz FRUPEHGUWUSLCV-OTJWULCMSA-N 0 0 575.791 4.098 1 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/nfs/dbraw/zinc/05/21/28/562052128.db2.gz IKRCWAVITYKYTF-SMIHKQSGSA-N 0 0 561.601 4.163 1 0 KIAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1O[C@@H](C)[C@H](C)O1 ZINC000036248045 562052287 /nfs/dbraw/zinc/05/22/87/562052287.db2.gz WJTKWTNPJRXMJF-BKQQZYNJSA-N 0 0 532.678 4.243 1 0 KIAFRN CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@@H]1O ZINC000036269592 562053046 /nfs/dbraw/zinc/05/30/46/562053046.db2.gz ZOBGGAIYJYPPGQ-FCAFVEAOSA-N 0 0 582.767 4.113 1 0 KIAFRN CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)Nc1ccccc1S2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@H]1O ZINC000036269596 562053102 /nfs/dbraw/zinc/05/31/02/562053102.db2.gz ZOBGGAIYJYPPGQ-JGERWQEUSA-N 0 0 582.767 4.113 1 0 KIAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cccc(-c5cccc6c5OC(C)(C)OC6)c4O3)O2)c(=O)[nH]c1=O ZINC000036287157 562054768 /nfs/dbraw/zinc/05/47/68/562054768.db2.gz CCBOYGOTQIYLJA-ZUKGHPDRSA-N 0 0 554.492 4.345 1 0 in-vivo KIAFRN Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cccc(-c5cccc6c5OC(C)(C)OC6)c4O3)O2)c(=O)[nH]c1=O ZINC000036287161 562054741 /nfs/dbraw/zinc/05/47/41/562054741.db2.gz CCBOYGOTQIYLJA-UEPOBXHLSA-N 0 0 554.492 4.345 1 0 in-vivo KIAFRN CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)OCCc2ccccc2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000036287228 562054734 /nfs/dbraw/zinc/05/47/34/562054734.db2.gz DBCVBIWNCCLZGI-LJGDZFJRSA-N 0 0 565.667 4.334 1 0 KIAFRN CCCC[C@H](NC(=O)O[C@@H]1C(=O)N(C(=O)c2ccc3[nH]ccc3c2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000036287240 562054806 /nfs/dbraw/zinc/05/48/06/562054806.db2.gz MZPXGBOXSJSLGE-YZXAJQSBSA-N 0 0 560.651 4.277 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)NCC1CCCCC1)[C@@H](C)CC ZINC000036295345 562054997 /nfs/dbraw/zinc/05/49/97/562054997.db2.gz KOEQMVDCLYAUJM-FQMQIHGHSA-N 0 0 596.854 4.435 1 0 KIAFRN O=C(Cc1ccncc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCC1CC1 ZINC000036330379 562055655 /nfs/dbraw/zinc/05/56/55/562055655.db2.gz KGSICNXNFOBMJP-LITSAYRRSA-N 0 0 608.968 4.362 1 0 KIAFRN O=C(Cc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCC1CC1 ZINC000036330380 562055653 /nfs/dbraw/zinc/05/56/53/562055653.db2.gz KGSICNXNFOBMJP-WNJJXGMVSA-N 0 0 608.968 4.362 1 0 KIAFRN CC(=O)CCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330382 562055625 /nfs/dbraw/zinc/05/56/25/562055625.db2.gz ZARKMBOXAZGLSX-LITSAYRRSA-N 0 0 624.967 4.279 1 0 KIAFRN CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1ccc[n+]([O-])c1 ZINC000036330386 562055641 /nfs/dbraw/zinc/05/56/41/562055641.db2.gz DHQXPCXDOGMDQA-LITSAYRRSA-N 0 0 626.983 4.338 1 0 KIAFRN CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCCc1c[nH]cn1 ZINC000036330396 562055658 /nfs/dbraw/zinc/05/56/58/562055658.db2.gz YVPYFTVDDPMUSO-LBNVMWSVSA-N 0 0 613.988 4.471 1 0 KIAFRN CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1ncc[nH]1 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515.458 4.007 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000038371650 562071437 /nfs/dbraw/zinc/07/14/37/562071437.db2.gz IAIIFNKYOCEUDZ-FKBYEOEOSA-N 0 0 649.613 4.169 1 0 KIAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NC[C@H](O)c1c(F)c(F)c(F)c(F)c1F ZINC000038371652 562071436 /nfs/dbraw/zinc/07/14/36/562071436.db2.gz IAIIFNKYOCEUDZ-FSSWDIPSSA-N 0 0 649.613 4.169 1 0 KIAFRN CCCn1cc(C(=O)[C@H]2NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]3CCCCN3C(=O)[C@H]([C@@H](C)CC)NC2=O)c2ccccc21 ZINC000038377705 562071618 /nfs/dbraw/zinc/07/16/18/562071618.db2.gz GIVUNOYVRYOCFE-ARPQJKGZSA-N 0 0 649.833 4.059 1 0 KIAFRN CC[C@H](CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O)SC(C)=O ZINC000038377722 562071715 /nfs/dbraw/zinc/07/17/15/562071715.db2.gz ZMLFRAJSAWUTBS-KFTXAETJSA-N 0 0 697.943 4.189 1 0 KIAFRN 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CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc4c(c2cc1C3)CN(c1ccccc1Cl)CO4 ZINC000040392572 562073665 /nfs/dbraw/zinc/07/36/65/562073665.db2.gz HDDZIZFIFBVZON-NDEPHWFRSA-N 0 0 515.953 4.090 1 0 KIAFRN COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000040393853 562074101 /nfs/dbraw/zinc/07/41/01/562074101.db2.gz JICKSVCCOKLTPI-UHFFFAOYSA-N 0 0 523.636 4.260 1 0 KIAFRN O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2ccc(-c3cn(-c4ccc(F)cc4)cn3)cc2C1 ZINC000040394466 562074231 /nfs/dbraw/zinc/07/42/31/562074231.db2.gz IPBZZTDOABSBMR-DCLXLUIPSA-N 0 0 520.552 4.254 1 0 KIAFRN CCc1ccc(NCC(=O)Nc2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc(CC)cc2)[C@H](O)CC3)cc1 ZINC000040394669 562074242 /nfs/dbraw/zinc/07/42/42/562074242.db2.gz NVZDHOIHGQRPAE-IXCJQBJRSA-N 0 0 507.656 4.189 1 0 KIAFRN Clc1ccc2c(c1Nc1ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n1)OCO2 ZINC000040395425 562074487 /nfs/dbraw/zinc/07/44/87/562074487.db2.gz IVXGFXACZQBKSB-UHFFFAOYSA-N 0 0 510.982 4.019 1 0 in-vivo KIAFRN 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ZINC000040413507 562075490 /nfs/dbraw/zinc/07/54/90/562075490.db2.gz ZEYWMGADROPMQC-XMMPIXPASA-N 0 0 518.658 4.309 1 0 KIAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Oc2ccc(C(C)C)cc2)CC1 ZINC000040413510 562075451 /nfs/dbraw/zinc/07/54/51/562075451.db2.gz ZEYWMGADROPMQC-DEOSSOPVSA-N 0 0 518.658 4.309 1 0 KIAFRN O=C(NCC1(c2ncccc2F)CCN(S(=O)(=O)CC2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000040420667 562075701 /nfs/dbraw/zinc/07/57/01/562075701.db2.gz DZOYUTVNBRSSFW-UHFFFAOYSA-N 0 0 500.423 4.031 1 0 KIAFRN COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2Cc3ccccc3C2)cc1OC ZINC000040421158 562075712 /nfs/dbraw/zinc/07/57/12/562075712.db2.gz RLJVDLOZEWOSAC-AREMUKBSSA-N 0 0 516.638 4.147 1 0 KIAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2Cc3ccccc3C2)cc1OC ZINC000040421161 562075683 /nfs/dbraw/zinc/07/56/83/562075683.db2.gz RLJVDLOZEWOSAC-SANMLTNESA-N 0 0 516.638 4.147 1 0 KIAFRN Cc1ccc([C@@H](CC(=O)N2CCOCC2)C(=O)N[C@@H](CNc2ccc(OC(F)(F)F)cc2)C(C)C)cc1 ZINC000040421621 562075753 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O=C(NCC1(c2ccccn2)CCN(S(=O)(=O)CC(F)(F)F)CC1)c1ccc(Cl)cc1Cl ZINC000040898376 562083314 /nfs/dbraw/zinc/08/33/14/562083314.db2.gz ZCVMNEZDHWTCNB-UHFFFAOYSA-N 0 0 510.365 4.044 1 0 KIAFRN CCCCCCNC(=O)CC[C@H](NS(=O)(=O)c1cc(C)ccc1Cl)C(=O)NCCCCCC ZINC000040899595 562083428 /nfs/dbraw/zinc/08/34/28/562083428.db2.gz QRFSPXGWVMRKNZ-NRFANRHFSA-N 0 0 502.121 4.469 1 0 KIAFRN CCCCCCNC(=O)CC[C@@H](NS(=O)(=O)c1cc(C)ccc1Cl)C(=O)NCCCCCC ZINC000040899598 562083446 /nfs/dbraw/zinc/08/34/46/562083446.db2.gz QRFSPXGWVMRKNZ-OAQYLSRUSA-N 0 0 502.121 4.469 1 0 KIAFRN Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3ccc(OCCN4CCOCC4)cc3)n2)cc1 ZINC000040900255 562083399 /nfs/dbraw/zinc/08/33/99/562083399.db2.gz JNQMEXNWVKEEEP-UHFFFAOYSA-N 0 0 524.625 4.301 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Cc1cccc(Br)c1 ZINC000040900509 562083547 /nfs/dbraw/zinc/08/35/47/562083547.db2.gz AHOUIMHHWJWBNV-UHFFFAOYSA-N 0 0 511.420 4.209 1 0 KIAFRN O=C(CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000040913764 562083606 /nfs/dbraw/zinc/08/36/06/562083606.db2.gz IHKWSSASDVEPKY-NRFANRHFSA-N 0 0 518.507 4.318 1 0 KIAFRN O=C(CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1)NC1CCCCC1 ZINC000040913766 562083664 /nfs/dbraw/zinc/08/36/64/562083664.db2.gz IHKWSSASDVEPKY-OAQYLSRUSA-N 0 0 518.507 4.318 1 0 KIAFRN Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000040914678 562083761 /nfs/dbraw/zinc/08/37/61/562083761.db2.gz POCIFVRYGQKGFJ-UHFFFAOYSA-N 0 0 512.953 4.473 1 0 KIAFRN O=C(CNC(=O)c1ccccc1)Nc1ccc(Oc2cccc(NC(=O)CNC(=O)c3ccccc3)c2)cc1 ZINC000040914918 562083886 /nfs/dbraw/zinc/08/38/86/562083886.db2.gz GWLMQLCCXZIKJN-UHFFFAOYSA-N 0 0 522.561 4.216 1 0 KIAFRN COc1ccc(Cn2c(C)cc3c(c2=O)C=C2CC[C@H]([C@H](C)Cn4cnc(N)c5ncnc4-5)C[C@@H]2O3)cc1 ZINC000040915394 562083888 /nfs/dbraw/zinc/08/38/88/562083888.db2.gz JJLTTZRSKXPMKZ-YQOVMPOYSA-N 0 0 512.614 4.168 1 0 KIAFRN COc1ccccc1[C@H]1SCC(=O)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040916254 562083998 /nfs/dbraw/zinc/08/39/98/562083998.db2.gz SLKVYHKQVDSVII-HXUWFJFHSA-N 0 0 507.626 4.442 1 0 KIAFRN COc1ccccc1[C@@H]1SCC(=O)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040916256 562083986 /nfs/dbraw/zinc/08/39/86/562083986.db2.gz SLKVYHKQVDSVII-FQEVSTJZSA-N 0 0 507.626 4.442 1 0 KIAFRN Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 ZINC000040917606 562084094 /nfs/dbraw/zinc/08/40/94/562084094.db2.gz XKZZIPLEGIRBDK-HKWRFOASSA-N 0 0 500.933 4.012 1 0 KIAFRN CC(=O)O[C@H](COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@]1(C)CC[C@@H](C(C)(C)OC(C)=O)O1 ZINC000040917772 562084157 /nfs/dbraw/zinc/08/41/57/562084157.db2.gz NWFSKNVSMJBGAK-IWVFXYMLSA-N 0 0 511.615 4.249 1 0 KIAFRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)OC(C)(C)C ZINC000040918726 562084400 /nfs/dbraw/zinc/08/44/00/562084400.db2.gz QULCOOMRHIVRLT-ZCYQVOJMSA-N 0 0 516.598 4.212 1 0 KIAFRN CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C(C)=O)CC1 ZINC000040933156 562084580 /nfs/dbraw/zinc/08/45/80/562084580.db2.gz DBKVWUKBIXASQQ-UHFFFAOYSA-N 0 0 502.402 4.451 1 0 KIAFRN CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3nc(Cl)c(C(F)(F)F)cc3Cl)CC1)C(=O)C2 ZINC000040934550 562084872 /nfs/dbraw/zinc/08/48/72/562084872.db2.gz OFJZXWRIIVGABW-CWTRNNRKSA-N 0 0 514.397 4.254 1 0 KIAFRN COCCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1 ZINC000040935093 562084983 /nfs/dbraw/zinc/08/49/83/562084983.db2.gz UBBOYTZYPGUBTI-UHFFFAOYSA-N 0 0 504.418 4.161 1 0 KIAFRN CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1ccc(Br)cc1)n2CCC(N)=O ZINC000040936835 562085255 /nfs/dbraw/zinc/08/52/55/562085255.db2.gz NXRLGKUUBJUCPC-UHFFFAOYSA-N 0 0 526.435 4.470 1 0 KIAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040936971 562085236 /nfs/dbraw/zinc/08/52/36/562085236.db2.gz FHQNAXMIFPVUME-RUZDIDTESA-N 0 0 517.674 4.260 1 0 KIAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)CC1 ZINC000040936973 562085225 /nfs/dbraw/zinc/08/52/25/562085225.db2.gz FHQNAXMIFPVUME-VWLOTQADSA-N 0 0 517.674 4.260 1 0 KIAFRN COc1cccc(OC)c1C(=O)N(C(=S)OCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 ZINC000040936975 562085206 /nfs/dbraw/zinc/08/52/06/562085206.db2.gz FGRQVDYVUFTHSH-UHFFFAOYSA-N 0 0 504.564 4.257 1 0 KIAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1nc(C(=O)Nc2ccccc2)cs1 ZINC000040938736 562085447 /nfs/dbraw/zinc/08/54/47/562085447.db2.gz RIBFZRWGJCKRQH-UHFFFAOYSA-N 0 0 520.615 4.192 1 0 KIAFRN COc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040940247 562085772 /nfs/dbraw/zinc/08/57/72/562085772.db2.gz BICATCSNUYXZFB-QHCPKHFHSA-N 0 0 520.699 4.278 1 0 KIAFRN COc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000040940249 562085724 /nfs/dbraw/zinc/08/57/24/562085724.db2.gz BICATCSNUYXZFB-HSZRJFAPSA-N 0 0 520.699 4.278 1 0 KIAFRN O=C(CCCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O)N1CCOCC1 ZINC000040940421 562085812 /nfs/dbraw/zinc/08/58/12/562085812.db2.gz QEHQRRBWGWGIBP-UHFFFAOYSA-N 0 0 517.969 4.343 1 0 KIAFRN COc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ncc(C(=O)Nc2ccccc2)s1 ZINC000040940466 562085780 /nfs/dbraw/zinc/08/57/80/562085780.db2.gz ROGHHIGHHTZCFT-UHFFFAOYSA-N 0 0 520.615 4.192 1 0 KIAFRN CCOc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040943705 562085872 /nfs/dbraw/zinc/08/58/72/562085872.db2.gz KHFHYDTYDGINAZ-OAQYLSRUSA-N 0 0 527.090 4.198 1 0 KIAFRN CCOc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1 ZINC000040943707 562085887 /nfs/dbraw/zinc/08/58/87/562085887.db2.gz KHFHYDTYDGINAZ-NRFANRHFSA-N 0 0 527.090 4.198 1 0 KIAFRN CC1(C)Oc2ccc(S(=O)(=O)c3cccc(F)c3)cc2[C@@H](n2oc3cc(Cl)ccc3c2=O)[C@@H]1O ZINC000040949367 562085865 /nfs/dbraw/zinc/08/58/65/562085865.db2.gz LHSSZOZFYAFNRR-YADHBBJMSA-N 0 0 503.935 4.341 1 0 KIAFRN COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2CC(=O)NCCc2ccccc2)cc1OC ZINC000040950371 562085965 /nfs/dbraw/zinc/08/59/65/562085965.db2.gz YVHFWLYZVUCPFZ-VWLOTQADSA-N 0 0 504.627 4.222 1 0 KIAFRN COc1cc2c(cc1OC)[C@H](Cc1ccc3c(c1)OCO3)N(CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040950436 562086012 /nfs/dbraw/zinc/08/60/12/562086012.db2.gz PSMVBRYVVNJIGG-RPBOFIJWSA-N 0 0 500.595 4.378 1 0 KIAFRN COc1cc2c(cc1OC)[C@@H](Cc1ccc3c(c1)OCO3)N(CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040950438 562086024 /nfs/dbraw/zinc/08/60/24/562086024.db2.gz PSMVBRYVVNJIGG-JWQCQUIFSA-N 0 0 500.595 4.378 1 0 KIAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000040950499 562085957 /nfs/dbraw/zinc/08/59/57/562085957.db2.gz CNJNVNZFKGRALN-GOTSBHOMSA-N 0 0 507.553 4.171 1 0 KIAFRN CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000040950501 562086055 /nfs/dbraw/zinc/08/60/55/562086055.db2.gz CNJNVNZFKGRALN-DHIUTWEWSA-N 0 0 507.553 4.171 1 0 KIAFRN CC(C)[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000040950503 562086053 /nfs/dbraw/zinc/08/60/53/562086053.db2.gz CNJNVNZFKGRALN-PKTZIBPZSA-N 0 0 507.553 4.171 1 0 KIAFRN C[C@@H]1CN(CC2(c3ccncc3)CCCC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040951120 562086030 /nfs/dbraw/zinc/08/60/30/562086030.db2.gz PTSDYTXQGBOHHD-XXBNENTESA-N 0 0 511.610 4.058 1 0 KIAFRN COc1ccc(S(=O)(=O)c2ccc3c(c2)[C@@H](n2oc4cc(Cl)ccc4c2=O)[C@H](O)C(C)(C)O3)cc1 ZINC000040951576 562085983 /nfs/dbraw/zinc/08/59/83/562085983.db2.gz MUWPSWHMNVWJOX-PKTZIBPZSA-N 0 0 515.971 4.211 1 0 KIAFRN CCc1cccc(-n2cc(C(=O)[N-]OC)c(=O)c3cnc(Nc4ccc(C5CC[NH+](C)CC5)cc4)nc32)c1 ZINC000040952028 562086127 /nfs/dbraw/zinc/08/61/27/562086127.db2.gz ZRWCAZWEYZHFAN-UHFFFAOYSA-N 0 0 512.614 4.187 1 0 KIAFRN CC(C)NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NC(C)C)cc2C(=O)[O-])c(C(=O)[O-])c1 ZINC000040952253 562086136 /nfs/dbraw/zinc/08/61/36/562086136.db2.gz BZKWJISJMAWQEP-UHFFFAOYSA-N 0 0 512.607 4.358 1 0 KIAFRN CCN(CC)C(=O)CN(c1cc(N(CC)CC)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000040952518 562086338 /nfs/dbraw/zinc/08/63/38/562086338.db2.gz SMQQXFDYSJEWEM-UHFFFAOYSA-N 0 0 512.072 4.267 1 0 KIAFRN CNC(=O)CCn1c(=O)c(-c2ccc(OC)cc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)nc21 ZINC000040952842 562086366 /nfs/dbraw/zinc/08/63/66/562086366.db2.gz ZNFKEOYKZWMUEZ-UHFFFAOYSA-N 0 0 511.504 4.234 1 0 KIAFRN O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2ccc(-c3cn(-c4ccccc4F)cn3)cc2C1 ZINC000040953923 562086433 /nfs/dbraw/zinc/08/64/33/562086433.db2.gz TVOQHHUFTWLFQD-DCLXLUIPSA-N 0 0 520.552 4.254 1 0 KIAFRN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4ccnc(S(C)(=O)=O)n4)CC3)[nH]2)cc1 ZINC000040954236 562086415 /nfs/dbraw/zinc/08/64/15/562086415.db2.gz QCZSISOQQMNQRF-UHFFFAOYSA-N 0 0 504.660 4.043 1 0 KIAFRN CCN(CC)C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000040955314 562086576 /nfs/dbraw/zinc/08/65/76/562086576.db2.gz ZPBRRONLQIUFGU-UHFFFAOYSA-N 0 0 512.053 4.339 1 0 KIAFRN COc1ccc(-c2nc3ccc(NCc4ccc(C(F)(F)F)cc4)nc3n(CCNC(C)=O)c2=O)cc1 ZINC000040955448 562086575 /nfs/dbraw/zinc/08/65/75/562086575.db2.gz ZEJRGJKYGUNDPO-UHFFFAOYSA-N 0 0 511.504 4.234 1 0 KIAFRN COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)nc3n(CCNC(C)=O)c2=O)cc1 ZINC000040955546 562086584 /nfs/dbraw/zinc/08/65/84/562086584.db2.gz KJTLQXZRANMVLM-UHFFFAOYSA-N 0 0 511.504 4.234 1 0 KIAFRN NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2cc(-c3cccs3)ccc2[nH]1 ZINC000040956064 562086556 /nfs/dbraw/zinc/08/65/56/562086556.db2.gz YRIDWNXYEOZNIQ-FQEVSTJZSA-N 0 0 513.645 4.222 1 0 KIAFRN COc1cc(-c2nc(NCCc3ccccn3)ncc2C(=O)NCCOc2ccccc2)cc(OC)c1OC ZINC000040957465 562086716 /nfs/dbraw/zinc/08/67/16/562086716.db2.gz YVDYJIGJQVQYRV-UHFFFAOYSA-N 0 0 529.597 4.028 1 0 KIAFRN O=S1(=O)N[C@@]2(CN1CC(F)(F)F)[C@@H]1CC[C@H]2Cc2ccc(-c3cn(-c4cccc(F)c4)cn3)cc2C1 ZINC000040957558 562086954 /nfs/dbraw/zinc/08/69/54/562086954.db2.gz BDNSLMRUQZNJGS-DCLXLUIPSA-N 0 0 520.552 4.254 1 0 KIAFRN COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(N(C)C(=O)Cn2ccnc2)cc1)c1ccccc1 ZINC000040973088 562086925 /nfs/dbraw/zinc/08/69/25/562086925.db2.gz FTERNYMEXWLTAM-RQZHXJHFSA-N 0 0 507.550 4.265 1 0 KIAFRN CN(C)CC(=O)c1c[nH]c2nccc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12 ZINC000040973190 562086917 /nfs/dbraw/zinc/08/69/17/562086917.db2.gz BKWQPMUHWJESCV-UHFFFAOYSA-N 0 0 507.497 4.269 1 0 KIAFRN CCN(CC)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000040976825 562087313 /nfs/dbraw/zinc/08/73/13/562087313.db2.gz FGPKKZFMCYCTAW-UHFFFAOYSA-N 0 0 508.946 4.440 1 0 KIAFRN CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 ZINC000042802823 562087881 /nfs/dbraw/zinc/08/78/81/562087881.db2.gz IJCRJKKXFRMQMS-JTSKRJEESA-N 0 0 614.712 4.400 1 0 KIAFRN Cc1ccc([C@@H](CC(N)=O)NC(=O)C[C@H](O)COc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042803878 562088463 /nfs/dbraw/zinc/08/84/63/562088463.db2.gz HMWIHFLBDRCNSO-XUZZJYLKSA-N 0 0 568.461 4.412 1 0 KIAFRN Cc1ccc([C@H](CC(N)=O)NC(=O)C[C@H](O)COc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042803883 562088440 /nfs/dbraw/zinc/08/84/40/562088440.db2.gz HMWIHFLBDRCNSO-URXFXBBRSA-N 0 0 568.461 4.412 1 0 KIAFRN CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 ZINC000042804240 562088643 /nfs/dbraw/zinc/08/86/43/562088643.db2.gz XUBJVNAJFOTKCB-JTSKRJEESA-N 0 0 614.712 4.447 1 0 KIAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H](CO)C[C@H](O)C(=O)C(C)(C)O)[C@]12C ZINC000042804384 562088736 /nfs/dbraw/zinc/08/87/36/562088736.db2.gz REBXJVOENPJSGD-NVLRHTLVSA-N 0 0 544.729 4.178 1 0 KIAFRN COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(=O)/C=C/c2ccc(O)cc2)ccc1O ZINC000042804494 562088846 /nfs/dbraw/zinc/08/88/46/562088846.db2.gz NJRCZZBEKGHAHH-JMGYAOOXSA-N 0 0 532.501 4.359 1 0 KIAFRN COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3CC2=C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000042804549 562088854 /nfs/dbraw/zinc/08/88/54/562088854.db2.gz RDGOSTXDEPKFIL-NZNOUQMUSA-N 0 0 576.646 4.083 1 0 KIAFRN CC[C@@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H]([NH3+])C(C)C)c1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000042805451 562089208 /nfs/dbraw/zinc/08/92/08/562089208.db2.gz BYFLMWCNPHKMKZ-YMUMJAELSA-N 0 0 588.705 4.064 1 0 KIAFRN COCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(=O)cccc3[C@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042805640 562089297 /nfs/dbraw/zinc/08/92/97/562089297.db2.gz TUWXDFQYVJARAO-JZEPBHRJSA-N 0 0 577.106 4.223 1 0 KIAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(Cc6ccc7c(c6)OCO7)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000042806769 562089798 /nfs/dbraw/zinc/08/97/98/562089798.db2.gz IAOXYOHMYPHVLC-NGZZPPDDSA-N 0 0 510.719 4.276 1 0 KIAFRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(C[C@H](C)C(C)(C)O6)[C@]6(C)O[C@@H](O)[C@@]4(C[C@H](O)[C@@H]32)[C@H]56)C1 ZINC000042807250 562090021 /nfs/dbraw/zinc/09/00/21/562090021.db2.gz QIIQIIUEZGRUMJ-IXDUNUBMSA-N 0 0 518.691 4.175 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CNc5ccc(C)cc5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000042807309 562090192 /nfs/dbraw/zinc/09/01/92/562090192.db2.gz ZNQZXZRYMXGUNT-ALMBTRMVSA-N 0 0 570.602 4.174 1 0 KIAFRN Nc1nc(Nc2ccc3ncsc3c2)cc(N2CCC[C@H]2C(=O)NCCc2cccc(I)c2)n1 ZINC000042807399 562090174 /nfs/dbraw/zinc/09/01/74/562090174.db2.gz TVINOYCKZQEBIB-IBGZPJMESA-N 0 0 585.475 4.344 1 0 KIAFRN CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4cccc5ccccc54)CC3)ccc1OCC)[nH]c2=O ZINC000042834096 581094978 /nfs/dbraw/zinc/09/49/78/581094978.db2.gz RZQPIOPAKAGCBC-UHFFFAOYSA-N 0 0 586.718 4.339 1 0 KIAFRN CO[C@H]1C[C@H](C)Cc2cc(ccc2O)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000042851461 581097654 /nfs/dbraw/zinc/09/76/54/581097654.db2.gz SIXVFZKPBRDLQR-LRFOCFGISA-N 0 0 518.651 4.077 1 0 KIAFRN CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)c3ccco3)[C@]3(OC2(C)C)[C@H](C)CC[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccco1 ZINC000042851701 291827589 /nfs/dbraw/zinc/82/75/89/291827589.db2.gz MSYVANBPYSRLJX-QFRBWOKISA-N 0 0 558.580 4.101 1 0 biogenic,in-vitro KIAFRN O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4S(=O)(=O)N4CCCC4)n3)ccc2N1 ZINC000042922950 581101556 /nfs/dbraw/zinc/10/15/56/581101556.db2.gz CKRPEFXFIJADJE-UHFFFAOYSA-N 0 0 532.548 4.130 1 0 KIAFRN CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccc(OC)cc1)cc3NS(=O)(=O)CCC2 ZINC000042966911 581091753 /nfs/dbraw/zinc/09/17/53/581091753.db2.gz PZOWVJSFRDNGMG-LMSSTIIKSA-N 0 0 576.719 4.172 1 0 KIAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccc(CO)cc2)c1C(OC)OC ZINC000043023322 562644962 /nfs/dbraw/zinc/64/49/62/562644962.db2.gz OGQUZSKDROMMFB-SHPZBJSMSA-N 0 0 594.672 4.003 1 0 KIAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccc(CO)cc2)c1C(OC)OC ZINC000043023331 562645034 /nfs/dbraw/zinc/64/50/34/562645034.db2.gz OGQUZSKDROMMFB-AMYCCCOXSA-N 0 0 594.672 4.003 1 0 KIAFRN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(F)cc1F)C2 ZINC000043058946 562645079 /nfs/dbraw/zinc/64/50/79/562645079.db2.gz XROUWOIMNDBMRK-UHFFFAOYSA-N 0 0 502.587 4.047 1 0 KIAFRN COC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1ccccc1C(F)(F)F ZINC000043059115 562645119 /nfs/dbraw/zinc/64/51/19/562645119.db2.gz QWFLSDYHEXUFAM-UHFFFAOYSA-N 0 0 504.490 4.281 1 0 KIAFRN COc1c(CCC(C)C)c2ccccc2c(O)c1C1=NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc2N1 ZINC000043060024 562645149 /nfs/dbraw/zinc/64/51/49/562645149.db2.gz ULKBTXJCZJAZMB-UHFFFAOYSA-N 0 0 517.629 4.075 1 0 KIAFRN CN(C)C(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000043063012 562645249 /nfs/dbraw/zinc/64/52/49/562645249.db2.gz JEVAOYJIHLQDGB-UHFFFAOYSA-N 0 0 537.045 4.472 1 0 KIAFRN COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)ccc2C(=O)NCCOc2ccccc2)c(OC)n1 ZINC000043064524 562645318 /nfs/dbraw/zinc/64/53/18/562645318.db2.gz YMCJDYIILUDXOU-UHFFFAOYSA-N 0 0 528.565 4.310 1 0 KIAFRN CC(C)CCc1c(F)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c(O)c2ccccc21 ZINC000043064724 562645286 /nfs/dbraw/zinc/64/52/86/562645286.db2.gz SKNZVSIWDQKRCH-UHFFFAOYSA-N 0 0 505.593 4.206 1 0 KIAFRN CCCN(CCC)C(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(F)(F)F ZINC000043065269 562645372 /nfs/dbraw/zinc/64/53/72/562645372.db2.gz APFSDMPVIMYHIW-SFTDATJTSA-N 0 0 529.600 4.373 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)NCc3ccccc3)cn2C)cc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000043065340 562645366 /nfs/dbraw/zinc/64/53/66/562645366.db2.gz DSPBLRNERKSNFB-UHFFFAOYSA-N 0 0 537.624 4.391 1 0 KIAFRN C[C@@H](c1ccccc1C(F)(F)F)n1c(Nc2ccc(S(N)(=O)=O)cc2)nc2cc(C(N)=O)ccc21 ZINC000043066632 562645402 /nfs/dbraw/zinc/64/54/02/562645402.db2.gz MBTCJFAQKYTMFO-ZDUSSCGKSA-N 0 0 503.506 4.154 1 0 KIAFRN C[C@H](c1ccccc1C(F)(F)F)n1c(Nc2ccc(S(N)(=O)=O)cc2)nc2cc(C(N)=O)ccc21 ZINC000043066636 562645425 /nfs/dbraw/zinc/64/54/25/562645425.db2.gz MBTCJFAQKYTMFO-CYBMUJFWSA-N 0 0 503.506 4.154 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(Cl)cc(Cl)c1 ZINC000043068177 562645441 /nfs/dbraw/zinc/64/54/41/562645441.db2.gz NLYUYINFBOVJOZ-IZZNHLLZSA-N 0 0 556.490 4.242 1 0 KIAFRN CCN(C[C@@](O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000043068411 562645479 /nfs/dbraw/zinc/64/54/79/562645479.db2.gz HRGGQSZHXQPAKU-DEOSSOPVSA-N 0 0 518.561 4.442 1 0 KIAFRN CCN(C[C@](O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1 ZINC000043068416 562645447 /nfs/dbraw/zinc/64/54/47/562645447.db2.gz HRGGQSZHXQPAKU-XMMPIXPASA-N 0 0 518.561 4.442 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c(Cl)cccc1Cl ZINC000043068972 562645452 /nfs/dbraw/zinc/64/54/52/562645452.db2.gz CNWZHFUTIODVDI-LOSJGSFVSA-N 0 0 556.490 4.242 1 0 KIAFRN COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(CCN3CCN(c4ccccn4)CC3)c2c1 ZINC000043071067 562645575 /nfs/dbraw/zinc/64/55/75/562645575.db2.gz RXUYCWPAECQTMQ-UHFFFAOYSA-N 0 0 530.625 4.124 1 0 KIAFRN O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2ccc(Br)cc12 ZINC000043072554 562645559 /nfs/dbraw/zinc/64/55/59/562645559.db2.gz WAHJVVBFOFEHSE-UHFFFAOYSA-N 0 0 515.371 4.065 1 0 KIAFRN CC(=O)O[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@@H](C)OC(C)=O)c(O)c1-c1ccc(O)cc1 ZINC000043073884 562645624 /nfs/dbraw/zinc/64/56/24/562645624.db2.gz ZSTKODOFTJPOLN-HZPDHXFCSA-N 0 0 582.558 4.337 1 0 KIAFRN CC(=O)O[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)OC(C)=O)c(O)c1-c1ccc(O)cc1 ZINC000043073887 560085601 /nfs/dbraw/zinc/08/56/01/560085601.db2.gz ZSTKODOFTJPOLN-HOTGVXAUSA-N 0 0 582.558 4.337 1 0 biogenic,in-vitro KIAFRN CCCC[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000043075405 562645686 /nfs/dbraw/zinc/64/56/86/562645686.db2.gz VMZJLCOUDXEVIH-HRBBJJPOSA-N 0 0 500.603 4.370 1 0 KIAFRN CCCC[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000043075409 562645700 /nfs/dbraw/zinc/64/57/00/562645700.db2.gz VMZJLCOUDXEVIH-RGPPVUSESA-N 0 0 500.603 4.370 1 0 KIAFRN NC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1csc2ccc(Cl)cc12 ZINC000043076790 562645689 /nfs/dbraw/zinc/64/56/89/562645689.db2.gz RARSFKGVWYACTI-UHFFFAOYSA-N 0 0 512.016 4.443 1 0 KIAFRN CN(C)C(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2Cc1ccccc1C(F)(F)F ZINC000043077242 562645743 /nfs/dbraw/zinc/64/57/43/562645743.db2.gz ZGDGWVKORMETFB-UHFFFAOYSA-N 0 0 517.533 4.196 1 0 KIAFRN CCOC(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000043078178 562645730 /nfs/dbraw/zinc/64/57/30/562645730.db2.gz RTTXKQKKQCZTHM-DEOSSOPVSA-N 0 0 555.628 4.139 1 0 KIAFRN C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(N2CCC(O)CC2)cc1Cl ZINC000043078792 562645814 /nfs/dbraw/zinc/64/58/14/562645814.db2.gz CUDXFXSBVVMGQV-OAHLLOKOSA-N 0 0 535.991 4.358 1 0 KIAFRN O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2cc(Br)ccc12 ZINC000043079862 562645873 /nfs/dbraw/zinc/64/58/73/562645873.db2.gz OXUZVGQBCQAWEF-UHFFFAOYSA-N 0 0 515.371 4.065 1 0 KIAFRN Cn1cc(C2=C(c3nn(CCCn4cncn4)c4ncccc34)C(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000043080228 562645862 /nfs/dbraw/zinc/64/58/62/562645862.db2.gz YRLWXIOFNWVUQB-UHFFFAOYSA-N 0 0 528.576 4.089 1 0 KIAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2c2ccccc2)c1OC ZINC000043100698 562645899 /nfs/dbraw/zinc/64/58/99/562645899.db2.gz NFQBNKYRVDDBSW-DBQZHCBRSA-N 0 0 520.593 4.228 1 0 in-vitro KIAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2c2ccccc2)c1OC ZINC000043100703 562645938 /nfs/dbraw/zinc/64/59/38/562645938.db2.gz NFQBNKYRVDDBSW-QSRYBZNWSA-N 0 0 520.593 4.228 1 0 in-vitro KIAFRN CC(=O)N(C(C)=O)c1nc2ccc3c(ccn3Cc3ccccc3C(F)(F)F)c2c(N(C(C)=O)C(C)=O)n1 ZINC000043100788 562645928 /nfs/dbraw/zinc/64/59/28/562645928.db2.gz RHIGRXPIVZTMRS-UHFFFAOYSA-N 0 0 525.487 4.450 1 0 KIAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2C2CCCC2)c1OC ZINC000043120148 562646066 /nfs/dbraw/zinc/64/60/66/562646066.db2.gz WKCUTOHVUOVBOV-TYBKAHOSSA-N 0 0 512.614 4.370 1 0 KIAFRN COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2C2CCCC2)c1OC ZINC000043120149 562646034 /nfs/dbraw/zinc/64/60/34/562646034.db2.gz WKCUTOHVUOVBOV-GIPLCNRYSA-N 0 0 512.614 4.370 1 0 KIAFRN O=C(C=C1CCN(C(=O)c2ccc(F)cc2[O-])CC1)N[C@@H]1CC[N@H+](Cc2ccc3cc(F)ccc3c2)C1 ZINC000043120857 562646088 /nfs/dbraw/zinc/64/60/88/562646088.db2.gz CNRGFQVKYSOJGD-RUZDIDTESA-N 0 0 505.565 4.377 1 0 KIAFRN C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(NC(=O)N2CCOCC2)cc1Cl ZINC000043121166 562646189 /nfs/dbraw/zinc/64/61/89/562646189.db2.gz VMVKIHDYEAVBLX-OAHLLOKOSA-N 0 0 564.989 4.261 1 0 KIAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C(=O)c1ccc(CO[N+](=O)[O-])cc1)CC2 ZINC000043123178 562646247 /nfs/dbraw/zinc/64/62/47/562646247.db2.gz UNBOJXVOGRRRJR-QFIPXVFZSA-N 0 0 550.564 4.216 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)OC(=O)Nc1ncccc12 ZINC000043129050 562646313 /nfs/dbraw/zinc/64/63/13/562646313.db2.gz RCACDZUECGFLCL-DNVCBOLYSA-N 0 0 567.515 4.260 1 0 KIAFRN CC(=O)OC[C@H]1O[C@@H](n2c(Br)nc3c2cc(Cl)c(Cl)c3Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000043129487 562646315 /nfs/dbraw/zinc/64/63/15/562646315.db2.gz IXBNBIINIMMUIN-GAEVZRCVSA-N 0 0 558.596 4.083 1 0 KIAFRN O=C(Cc1cccc(NC(=O)OCCCN2CCOCC2)c1)N1CCC(c2cc(Cl)ccc2Cl)=N1 ZINC000043152508 562646410 /nfs/dbraw/zinc/64/64/10/562646410.db2.gz UQFDRYMBMUKMBN-UHFFFAOYSA-N 0 0 519.429 4.443 1 0 KIAFRN Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@@H](C)CNc1cccc2c1cnn2-c1ccc(F)nc1 ZINC000043152881 562646439 /nfs/dbraw/zinc/64/64/39/562646439.db2.gz NUUMMLYSKRRLTQ-INIZCTEOSA-N 0 0 511.627 4.267 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)NCC)ncnc2Nc1ccc(Br)cc1F ZINC000043153187 562646453 /nfs/dbraw/zinc/64/64/53/562646453.db2.gz FFMVKPOWYKTXJH-UHFFFAOYSA-N 0 0 517.359 4.097 1 0 KIAFRN CCS(=O)(=O)NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000043154107 562646463 /nfs/dbraw/zinc/64/64/63/562646463.db2.gz NBTDDGIXDNBYKH-JKXTWKSPSA-N 0 0 520.019 4.035 1 0 KIAFRN CO[C@H]1C[C@H](C)[C@@H](O)c2cc(O)cc(c2)NC(=O)/C(C)=C/CC[C@H](C)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000043154389 562646486 /nfs/dbraw/zinc/64/64/86/562646486.db2.gz LBNWXNLPJPGKSU-FHCPNLCOSA-N 0 0 518.651 4.189 1 0 KIAFRN Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(Cn6cccn6)cc5)nc4ncc3Br)CC2)no1 ZINC000043170393 562646549 /nfs/dbraw/zinc/64/65/49/562646549.db2.gz GJXNCIVQXIAUQN-UHFFFAOYSA-N 0 0 533.434 4.251 1 0 KIAFRN Cc1cc[nH+]c(NC[C@@H]2CC(=O)N(c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)C2)c1 ZINC000043171696 562646519 /nfs/dbraw/zinc/64/65/19/562646519.db2.gz UEBUMZGZKUPTHB-ZCYQVOJMSA-N 0 0 514.626 4.206 1 0 KIAFRN Cc1cc[nH+]c(NC[C@H]2CC(=O)N(c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)C2)c1 ZINC000043171698 562646529 /nfs/dbraw/zinc/64/65/29/562646529.db2.gz UEBUMZGZKUPTHB-NOZRDPDXSA-N 0 0 514.626 4.206 1 0 KIAFRN Cc1cc[nH+]c(NC[C@@H]2CC(=O)N(c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)C2)c1 ZINC000043171700 562646539 /nfs/dbraw/zinc/64/65/39/562646539.db2.gz UEBUMZGZKUPTHB-UKILVPOCSA-N 0 0 514.626 4.206 1 0 KIAFRN Cc1cc[nH+]c(NC[C@H]2CC(=O)N(c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)C2)c1 ZINC000043171702 562646604 /nfs/dbraw/zinc/64/66/04/562646604.db2.gz UEBUMZGZKUPTHB-ILBGXUMGSA-N 0 0 514.626 4.206 1 0 KIAFRN 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/nfs/dbraw/zinc/65/57/86/562655786.db2.gz MPUDAUOZKYFNAX-UHFFFAOYSA-N 0 0 560.106 4.196 1 0 KIAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044386259 562655857 /nfs/dbraw/zinc/65/58/57/562655857.db2.gz JYUWGEYEISNAQW-IZZNHLLZSA-N 0 0 559.754 4.325 1 0 KIAFRN C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)C(C)C)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000044386810 562655978 /nfs/dbraw/zinc/65/59/78/562655978.db2.gz PASSAFHUDJPXAL-JXHLGRMOSA-N 0 0 504.620 4.225 1 0 KIAFRN COc1ccc([C@H]2SCC(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccccc3c2=O)cc1 ZINC000044386828 562655995 /nfs/dbraw/zinc/65/59/95/562655995.db2.gz ILFBXFLDASZLPE-RUZDIDTESA-N 0 0 544.618 4.053 1 0 KIAFRN COc1ccc([C@@H]2SCC(=O)N2n2c(CSc3nnc(-c4ccncc4)o3)nc3ccccc3c2=O)cc1 ZINC000044386831 562655997 /nfs/dbraw/zinc/65/59/97/562655997.db2.gz ILFBXFLDASZLPE-VWLOTQADSA-N 0 0 544.618 4.053 1 0 KIAFRN CCOP(=O)(CCC[NH+]1CCN(CCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)CC1)OCC ZINC000044386919 562655975 /nfs/dbraw/zinc/65/59/75/562655975.db2.gz PVBLRHUACWQHFD-QFIPXVFZSA-N 0 0 550.637 4.058 1 0 KIAFRN COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3ccsc3C(N)=O)n1)N(C(=O)CN(C)C)CCC2(C)C ZINC000044386931 562655992 /nfs/dbraw/zinc/65/59/92/562655992.db2.gz YNSCKPCDFIDINW-UHFFFAOYSA-N 0 0 548.673 4.190 1 0 in-vitro KIAFRN COc1cc2c(cc1OCCCCCSc1nnc3n1S(=O)(=O)c1ccccc1N3C)N=C[C@@H]1CCCN1C2=O ZINC000044387169 562656069 /nfs/dbraw/zinc/65/60/69/562656069.db2.gz KMEMIQMGGRDYQS-SFHVURJKSA-N 0 0 582.708 4.267 1 0 KIAFRN CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc4c(c2cc1C3)CN(c1ccc(F)c(Cl)c1)CO4 ZINC000044387441 562656115 /nfs/dbraw/zinc/65/61/15/562656115.db2.gz LOHCKCVNNRUJMM-NDEPHWFRSA-N 0 0 533.943 4.229 1 0 KIAFRN CCOC(=O)CC[C@H](NC(=O)c1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1)C(=O)OCC ZINC000044387607 562656137 /nfs/dbraw/zinc/65/61/37/562656137.db2.gz VMTODJCTVNGYMG-QHCPKHFHSA-N 0 0 556.623 4.210 1 0 KIAFRN CCOC(=O)CC[C@@H](NC(=O)c1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1)C(=O)OCC ZINC000044387610 562656155 /nfs/dbraw/zinc/65/61/55/562656155.db2.gz VMTODJCTVNGYMG-HSZRJFAPSA-N 0 0 556.623 4.210 1 0 KIAFRN C[C@H](OC(=O)c1ccccc1)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)c1ccccc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O ZINC000044387647 562656156 /nfs/dbraw/zinc/65/61/56/562656156.db2.gz DEVNXOBDICHYSQ-PEVLGTTMSA-N 0 0 590.713 4.352 1 0 KIAFRN CN1CCN(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2-c2ccc(I)cc2)CC1 ZINC000044387872 562656206 /nfs/dbraw/zinc/65/62/06/562656206.db2.gz VYLFPGWPSXCAAB-UHFFFAOYSA-N 0 0 556.235 4.343 1 0 KIAFRN CCOC(=O)/C=C/[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1C ZINC000044387970 562656236 /nfs/dbraw/zinc/65/62/36/562656236.db2.gz BAOAGARIVZSPLZ-DRWUBOAHSA-N 0 0 591.749 4.449 1 0 KIAFRN Nc1nccc(Oc2ccc(NC(=O)c3c(=O)n(-c4ccc(F)cc4)ccc3OCCO)cc2F)c1Cl ZINC000044387985 562656231 /nfs/dbraw/zinc/65/62/31/562656231.db2.gz OWZVZGPZNVFUJF-UHFFFAOYSA-N 0 0 528.899 4.162 1 0 KIAFRN Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)c3ccccn3)ncn2)[nH]c1=O ZINC000044404551 562656461 /nfs/dbraw/zinc/65/64/61/562656461.db2.gz QBFKAXSBCHLQJH-UHFFFAOYSA-N 0 0 519.443 4.421 1 0 KIAFRN CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000044405354 562656658 /nfs/dbraw/zinc/65/66/58/562656658.db2.gz OIOKJSPMDFSKEA-JAMKYWPSSA-N 0 0 567.733 4.441 1 0 KIAFRN COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CN1CCCCC1)CCC2 ZINC000044405528 562656685 /nfs/dbraw/zinc/65/66/85/562656685.db2.gz OTTBPQUZNFGLAM-UHFFFAOYSA-N 0 0 572.645 4.457 1 0 KIAFRN COC(C)(C)[C@@H](O)[C@@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@@]21CO3 ZINC000044406027 562656764 /nfs/dbraw/zinc/65/67/64/562656764.db2.gz ANFJBMXRWPPYJK-ZUKOLFMSSA-N 0 0 520.751 4.434 1 0 KIAFRN COC(C)(C)[C@@H](O)[C@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@@]21CO3 ZINC000044406031 562656774 /nfs/dbraw/zinc/65/67/74/562656774.db2.gz ANFJBMXRWPPYJK-AOKNQTQYSA-N 0 0 520.751 4.434 1 0 KIAFRN COC(C)(C)[C@H](O)[C@@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@@]21CO3 ZINC000044406035 562656783 /nfs/dbraw/zinc/65/67/83/562656783.db2.gz ANFJBMXRWPPYJK-XSMPOHGCSA-N 0 0 520.751 4.434 1 0 KIAFRN COC(C)(C)[C@H](O)[C@H](O)/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@@]21CO3 ZINC000044406039 562656763 /nfs/dbraw/zinc/65/67/63/562656763.db2.gz ANFJBMXRWPPYJK-SBKPHWDJSA-N 0 0 520.751 4.434 1 0 KIAFRN CO[C@H]1C[C@H](C)Cc2cccc(c2)NC(=O)/C(C)=C/CC[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O ZINC000044406109 562656771 /nfs/dbraw/zinc/65/67/71/562656771.db2.gz VSRDDIXOACNXNB-DULVUOHVSA-N 0 0 502.652 4.371 1 0 KIAFRN Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)c3ccncc3)ncn2)[nH]c1=O ZINC000044406495 562656888 /nfs/dbraw/zinc/65/68/88/562656888.db2.gz SPEZGVQUSUFDTK-UHFFFAOYSA-N 0 0 519.443 4.421 1 0 KIAFRN COc1cccc(C(=O)Nc2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)[C@H](O)CC3)c1 ZINC000044406556 562656905 /nfs/dbraw/zinc/65/69/05/562656905.db2.gz HFBBMHMKLWLIPO-DHIUTWEWSA-N 0 0 531.428 4.037 1 0 KIAFRN COc1ccccc1CCNC(=O)CN(CCOc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000044416928 562657029 /nfs/dbraw/zinc/65/70/29/562657029.db2.gz MZESOPTZVWSSAY-UHFFFAOYSA-N 0 0 581.474 4.159 1 0 KIAFRN O=C(CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417027 562657004 /nfs/dbraw/zinc/65/70/04/562657004.db2.gz DBSBLCASTUVZSA-QFIPXVFZSA-N 0 0 534.465 4.053 1 0 KIAFRN O=C(CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417031 562657025 /nfs/dbraw/zinc/65/70/25/562657025.db2.gz DBSBLCASTUVZSA-JOCHJYFZSA-N 0 0 534.465 4.053 1 0 KIAFRN COc1cc(Nc2nc(NCc3ccc(CC(=O)OC(C)(C)C)cc3)n3ccnc3c2C(N)=O)cc(OC)c1 ZINC000044417342 562657103 /nfs/dbraw/zinc/65/71/03/562657103.db2.gz ODGKOKWUUQQWAV-UHFFFAOYSA-N 0 0 532.601 4.085 1 0 KIAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)S(C)(=O)=O)CC4)cc2)CC3)cc1 ZINC000044417643 562657127 /nfs/dbraw/zinc/65/71/27/562657127.db2.gz KZGFYQSFKUIBPO-UHFFFAOYSA-N 0 0 548.587 4.026 1 0 KIAFRN O=C(CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417861 562657213 /nfs/dbraw/zinc/65/72/13/562657213.db2.gz UEOJTDKWVNWAHF-QHCPKHFHSA-N 0 0 534.465 4.053 1 0 KIAFRN O=C(CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1 ZINC000044417865 562657193 /nfs/dbraw/zinc/65/71/93/562657193.db2.gz UEOJTDKWVNWAHF-HSZRJFAPSA-N 0 0 534.465 4.053 1 0 KIAFRN O=C(CN1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)NCCN2CCOCC2)c1 ZINC000044417954 562657252 /nfs/dbraw/zinc/65/72/52/562657252.db2.gz AJQPACFJCOHFMZ-UHFFFAOYSA-N 0 0 551.091 4.118 1 0 KIAFRN O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)c(F)c2)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000044418710 562657352 /nfs/dbraw/zinc/65/73/52/562657352.db2.gz SWJILZSUKFKHJS-QDPGVEIFSA-N 0 0 565.964 4.297 1 0 KIAFRN O=C([C@@H]1CCc2c(S(=O)(=O)c3ccccc3)cc(OCc3ccc(C(F)(F)F)cc3)c(=O)n21)N1CCCC1 ZINC000044419297 562657465 /nfs/dbraw/zinc/65/74/65/562657465.db2.gz XOSIQOPUSDWKGW-QFIPXVFZSA-N 0 0 546.567 4.389 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CC[C@]3(CCCO3)C2)cc1 ZINC000044419340 562657460 /nfs/dbraw/zinc/65/74/60/562657460.db2.gz DAGHEYWNTBUEHR-FCVSFWEXSA-N 0 0 574.740 4.142 1 0 KIAFRN Cc1ccc([C@@]2(O)C[C@H](C(=O)Nc3ccc(-n4ccccc4=O)cn3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000044430388 562657481 /nfs/dbraw/zinc/65/74/81/562657481.db2.gz WXMJXVQQXMDGML-FUFSCUOVSA-N 0 0 544.011 4.327 1 0 KIAFRN COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CCN(C)CC5)c(Cl)c4=O)c3C)cc2)cn1 ZINC000044430432 562657523 /nfs/dbraw/zinc/65/75/23/562657523.db2.gz IUZKBFCBDOJCDA-UHFFFAOYSA-N 0 0 559.070 4.328 1 0 KIAFRN Cc1cccc([C@@]2(O)C[C@H](C(=O)Nc3ccc(-n4ccccc4=O)cn3)N(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000044430436 562657539 /nfs/dbraw/zinc/65/75/39/562657539.db2.gz DWCNHTNYFFRSGG-FUFSCUOVSA-N 0 0 544.011 4.327 1 0 KIAFRN CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044430575 562657545 /nfs/dbraw/zinc/65/75/45/562657545.db2.gz PURTXMAIRNXPDK-ZKMPZPQNSA-N 0 0 576.115 4.072 1 0 KIAFRN CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(-c3ccc(F)nc3)s1)n2CCC(N)=O ZINC000044430595 562657578 /nfs/dbraw/zinc/65/75/78/562657578.db2.gz IWXOBLGVEGPHBJ-UHFFFAOYSA-N 0 0 542.596 4.703 1 0 KIAFRN COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC)c(C)c(OC(C)=O)c(C(C)=O)c1OC(C)=O ZINC000044430814 562657695 /nfs/dbraw/zinc/65/76/95/562657695.db2.gz MVHQYMMCTRUWRO-UHFFFAOYSA-N 0 0 572.563 4.018 1 0 KIAFRN O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)cc2)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000044430841 562657663 /nfs/dbraw/zinc/65/76/63/562657663.db2.gz JVPJGJLOVRLHDX-QDPGVEIFSA-N 0 0 547.974 4.158 1 0 KIAFRN CCCSc1sc(N)nc1-c1ccc(P(=O)(NC(C)(C)C(=O)OCC)NC(C)(C)C(=O)OCC)o1 ZINC000044431197 562657799 /nfs/dbraw/zinc/65/77/99/562657799.db2.gz BFAMLXNEIJNGEB-UHFFFAOYSA-N 0 0 546.652 4.168 1 0 KIAFRN CCCSc1sc(N)nc1-c1ccc(P(=O)(N[C@@H](COC(C)(C)C)C(=O)OC)N[C@@H](COC(C)(C)C)C(=O)OC)o1 ZINC000044431199 562657808 /nfs/dbraw/zinc/65/78/08/562657808.db2.gz LFRMCTXPRZKUII-IRXDYDNUSA-N 0 0 634.758 4.198 1 0 KIAFRN COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000044431598 562657883 /nfs/dbraw/zinc/65/78/83/562657883.db2.gz KEYVXBPTASBLDW-NSOVKSMOSA-N 0 0 528.649 4.209 1 0 KIAFRN O=C(CCCCCNC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)NCCN1CCOCC1 ZINC000045186521 562658181 /nfs/dbraw/zinc/65/81/81/562658181.db2.gz APVSKDUJKGAFCE-UHFFFAOYSA-N 0 0 508.446 4.105 1 0 KIAFRN CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)C(Cl)(Cl)Cl)CC2)c1 ZINC000045187107 562658265 /nfs/dbraw/zinc/65/82/65/562658265.db2.gz MEQUUMLAIFLCAI-UHFFFAOYSA-N 0 0 526.914 4.057 1 0 KIAFRN CCn1c2cc(Oc3ccc(C(=O)N4CC(=O)N(C)[C@@H]4C(C)(C)C)cc3)ncc2nc1-c1cc(C)on1 ZINC000045194620 562658845 /nfs/dbraw/zinc/65/88/45/562658845.db2.gz MJWFWLGORSMMTC-SANMLTNESA-N 0 0 502.575 4.493 1 0 KIAFRN CCn1c2cc(Oc3ccc(C(=O)N4CC(=O)N(C)[C@H]4C(C)(C)C)cc3)ncc2nc1-c1cc(C)on1 ZINC000045194623 562658813 /nfs/dbraw/zinc/65/88/13/562658813.db2.gz MJWFWLGORSMMTC-AREMUKBSSA-N 0 0 502.575 4.493 1 0 KIAFRN COC(=O)Nc1cc(C(F)(F)F)ccc1N1CCC(CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000045211326 562659355 /nfs/dbraw/zinc/65/93/55/562659355.db2.gz VJHIXOMINQGTPI-UHFFFAOYSA-N 0 0 501.527 4.087 1 0 KIAFRN COc1cc(Nc2nccc(N3CC[C@H](NC(=O)c4cc5ccccc5s4)C3)n2)cc(OC)c1OC ZINC000045228321 562659504 /nfs/dbraw/zinc/65/95/04/562659504.db2.gz YRMBDAIMSQTIRG-KRWDZBQOSA-N 0 0 505.600 4.469 1 0 KIAFRN COc1cc(Nc2nccc(N3CC[C@@H](NC(=O)c4cc5ccccc5s4)C3)n2)cc(OC)c1OC ZINC000045228324 562659481 /nfs/dbraw/zinc/65/94/81/562659481.db2.gz YRMBDAIMSQTIRG-QGZVFWFLSA-N 0 0 505.600 4.469 1 0 KIAFRN COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(O)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000045229425 562659555 /nfs/dbraw/zinc/65/95/55/562659555.db2.gz ZMHQEYGCQPAEOR-UHFFFAOYSA-N 0 0 513.598 4.248 1 0 KIAFRN Cc1cc(F)ccc1Oc1nc(Nc2ccc(N3CCOCC3)c(F)c2)nc2c1S(=O)(=O)CCC2 ZINC000045238522 562659692 /nfs/dbraw/zinc/65/96/92/562659692.db2.gz LHRPUGRMFLMGPW-UHFFFAOYSA-N 0 0 502.543 4.156 1 0 KIAFRN COc1ccc(CN2C(=O)c3cccc(N4CCN(Cc5c(F)cccc5F)CC4)c3C2=O)cc1OC ZINC000045245572 562659735 /nfs/dbraw/zinc/65/97/35/562659735.db2.gz WPRDJOXSKKQDNA-UHFFFAOYSA-N 0 0 507.537 4.100 1 0 KIAFRN CN1CCN(C(=O)c2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1 ZINC000045252982 562659805 /nfs/dbraw/zinc/65/98/05/562659805.db2.gz KNXQEJUJQOZAKP-UHFFFAOYSA-N 0 0 523.424 4.434 1 0 KIAFRN CCOC(=O)c1nc(NC(=O)c2csc(C3CCN(C(=O)NCCC4=CCCCC4)CC3)n2)cn1C ZINC000045253098 562659793 /nfs/dbraw/zinc/65/97/93/562659793.db2.gz LKYSLGWBHNLFKR-UHFFFAOYSA-N 0 0 514.652 4.085 1 0 KIAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(O)c3c(cc2C[C@H](C)[C@@]1(C)O)OCO3 ZINC000045253479 562659788 /nfs/dbraw/zinc/65/97/88/562659788.db2.gz BYZKFKFGPLUFIH-CYJUSPMPSA-N 0 0 500.544 4.307 1 0 KIAFRN CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCCn1ccnc1 ZINC000045253759 562659820 /nfs/dbraw/zinc/65/98/20/562659820.db2.gz RWAFVRRIJKQZIU-MHZLTWQESA-N 0 0 521.585 4.005 1 0 KIAFRN CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCCn1ccnc1 ZINC000045253761 562659853 /nfs/dbraw/zinc/65/98/53/562659853.db2.gz RWAFVRRIJKQZIU-HHHXNRCGSA-N 0 0 521.585 4.005 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC(CCn2cc3c(n2)C(=O)N[C@@H](Cc2ccccc2)CN3C(=O)C2CC2)CC1 ZINC000045254275 562659877 /nfs/dbraw/zinc/65/98/77/562659877.db2.gz QLQPJTFWTGFRKM-QHCPKHFHSA-N 0 0 521.662 4.018 1 0 KIAFRN C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1OCCOC)ncnc2Nc1cccc(Cl)c1F ZINC000045254898 562659905 /nfs/dbraw/zinc/65/99/05/562659905.db2.gz TXSZGBMOPCXBTP-FQEVSTJZSA-N 0 0 513.957 4.307 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC(CCn2cc3c(n2)C(=O)N[C@H](Cc2ccccc2)CN3C(=O)C2CC2)CC1 ZINC000045259075 562660009 /nfs/dbraw/zinc/66/00/09/562660009.db2.gz QLQPJTFWTGFRKM-HSZRJFAPSA-N 0 0 521.662 4.018 1 0 KIAFRN Nc1nc(NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc(-c2ccc(C[C@H]([NH3+])C(=O)[O-])cc2)n1 ZINC000045260052 562660059 /nfs/dbraw/zinc/66/00/59/562660059.db2.gz FVWYQXKILIXHRL-NRFANRHFSA-N 0 0 508.504 4.373 1 0 KIAFRN O=C1N(C[C@H](O)CN2CCN(c3ccccc3C(F)(F)F)CC2)CCC1(c1ccccc1)c1ccccc1 ZINC000045284144 562660084 /nfs/dbraw/zinc/66/00/84/562660084.db2.gz YCRJDYUNEPILMF-RUZDIDTESA-N 0 0 523.599 4.407 1 0 KIAFRN O=C1N(C[C@@H](O)CN2CCN(c3ccccc3C(F)(F)F)CC2)CCC1(c1ccccc1)c1ccccc1 ZINC000045284146 562660111 /nfs/dbraw/zinc/66/01/11/562660111.db2.gz YCRJDYUNEPILMF-VWLOTQADSA-N 0 0 523.599 4.407 1 0 KIAFRN C=CC(=O)N1CCC[C@H]1C(=O)Nc1cc2c(cc1OCCOC)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000045284295 562660096 /nfs/dbraw/zinc/66/00/96/562660096.db2.gz GWJRFFSJMPWCMO-NRFANRHFSA-N 0 0 513.957 4.307 1 0 KIAFRN Cc1cnc(Nc2cccc3c2OCCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 ZINC000045285693 562660140 /nfs/dbraw/zinc/66/01/40/562660140.db2.gz MPCQRPKDRXWSSR-OAQYLSRUSA-N 0 0 505.962 4.412 1 0 KIAFRN CNC(=O)c1cc(F)c(F)cc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl ZINC000045287095 562660200 /nfs/dbraw/zinc/66/02/00/562660200.db2.gz UQETZOYIXIGUPE-UHFFFAOYSA-N 0 0 504.925 4.100 1 0 KIAFRN O=C(Nc1ccc(-c2nc3c(cnn3CC(F)(F)F)c(N3C[C@H]4C[C@@H]3CO4)n2)cc1)Nc1cccnc1 ZINC000045289420 562660306 /nfs/dbraw/zinc/66/03/06/562660306.db2.gz RJGLKNSJUHURHU-QZTJIDSGSA-N 0 0 510.480 4.072 1 0 KIAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(O)c3c(cc2C[C@H](C)[C@]1(C)O)OCO3 ZINC000045291070 562660325 /nfs/dbraw/zinc/66/03/25/562660325.db2.gz BYZKFKFGPLUFIH-QHWVUYPCSA-N 0 0 500.544 4.307 1 0 KIAFRN O=C(Nc1ccc(-c2nc3c(cnn3CC(F)(F)F)c(N3C[C@@H]4C[C@H]3CO4)n2)cc1)Nc1cccnc1 ZINC000045291276 562660353 /nfs/dbraw/zinc/66/03/53/562660353.db2.gz RJGLKNSJUHURHU-ROUUACIJSA-N 0 0 510.480 4.072 1 0 KIAFRN C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(O)c(OC)c2O)C[C@H](C)[C@@]1(C)O ZINC000045299409 562660405 /nfs/dbraw/zinc/66/04/05/562660405.db2.gz XTROLKZKTBHOSR-HAJWCSPSSA-N 0 0 502.560 4.293 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000045299793 562660424 /nfs/dbraw/zinc/66/04/24/562660424.db2.gz LLEMSMCAGYJKDE-JYRKZWEQSA-N 0 0 510.058 4.447 1 0 KIAFRN CC1(C)C[C@@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2cc(Br)ccc2O1 ZINC000045314771 562660832 /nfs/dbraw/zinc/66/08/32/562660832.db2.gz OCODWBDNNQAVEI-OAQYLSRUSA-N 0 0 508.394 4.207 1 0 KIAFRN CC1(C)C[C@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2cc(Br)ccc2O1 ZINC000045314776 562660816 /nfs/dbraw/zinc/66/08/16/562660816.db2.gz OCODWBDNNQAVEI-NRFANRHFSA-N 0 0 508.394 4.207 1 0 KIAFRN COCC[C@@H]1CN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)CCO1 ZINC000045314971 562660828 /nfs/dbraw/zinc/66/08/28/562660828.db2.gz HKFNRWNBQSKLDG-QGZVFWFLSA-N 0 0 528.456 4.293 1 0 KIAFRN COCC[C@H]1CN(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)CCO1 ZINC000045314975 562660817 /nfs/dbraw/zinc/66/08/17/562660817.db2.gz HKFNRWNBQSKLDG-KRWDZBQOSA-N 0 0 528.456 4.293 1 0 KIAFRN C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(O)c3c(cc2C[C@H](C)[C@@]1(C)O)OCO3 ZINC000045315155 562660848 /nfs/dbraw/zinc/66/08/48/562660848.db2.gz BYZKFKFGPLUFIH-XHZFOBTCSA-N 0 0 500.544 4.307 1 0 KIAFRN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(I)cc3)C(=O)[C@@H]12 ZINC000045319865 562661033 /nfs/dbraw/zinc/66/10/33/562661033.db2.gz CABLHZAQPSNNTQ-WWEWDKITSA-N 0 0 509.413 4.106 1 0 KIAFRN CC(C)c1ccc(OC[C@H](O)CN(CCN2CCOCC2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000045322034 562661049 /nfs/dbraw/zinc/66/10/49/562661049.db2.gz NTJNEEJAMSEUQW-HSZRJFAPSA-N 0 0 520.468 4.179 1 0 KIAFRN CC(C)c1ccc(OC[C@@H](O)CN(CCN2CCOCC2)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000045322037 562661071 /nfs/dbraw/zinc/66/10/71/562661071.db2.gz NTJNEEJAMSEUQW-QHCPKHFHSA-N 0 0 520.468 4.179 1 0 KIAFRN COc1cccc(CN(C(=O)Nc2ccccc2F)[C@H]2C[C@H]3C(=O)Nc4cc(F)ccc4C(=O)N3C2)c1 ZINC000045324145 562661166 /nfs/dbraw/zinc/66/11/66/562661166.db2.gz HYNMBECNOJLTCX-UUOWRZLLSA-N 0 0 506.509 4.243 1 0 KIAFRN COc1cc(Nc2nccc(N3CC[C@@H](NC(=O)[C@@H](C)c4ccc(Cl)cc4)C3)n2)cc(OC)c1OC ZINC000045324249 562661178 /nfs/dbraw/zinc/66/11/78/562661178.db2.gz FDGAQPLGUDZVND-QFBILLFUSA-N 0 0 512.010 4.398 1 0 KIAFRN COc1cc(Nc2nccc(N3CC[C@@H](NC(=O)[C@H](C)c4ccc(Cl)cc4)C3)n2)cc(OC)c1OC ZINC000045324252 562661214 /nfs/dbraw/zinc/66/12/14/562661214.db2.gz FDGAQPLGUDZVND-VQIMIIECSA-N 0 0 512.010 4.398 1 0 KIAFRN COc1cc(Nc2nccc(N3CC[C@H](NC(=O)[C@@H](C)c4ccc(Cl)cc4)C3)n2)cc(OC)c1OC ZINC000045324255 562661194 /nfs/dbraw/zinc/66/11/94/562661194.db2.gz FDGAQPLGUDZVND-LPHOPBHVSA-N 0 0 512.010 4.398 1 0 KIAFRN COc1cc(Nc2nccc(N3CC[C@H](NC(=O)[C@H](C)c4ccc(Cl)cc4)C3)n2)cc(OC)c1OC ZINC000045324257 562661211 /nfs/dbraw/zinc/66/12/11/562661211.db2.gz FDGAQPLGUDZVND-APWZRJJASA-N 0 0 512.010 4.398 1 0 KIAFRN CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3ccc(CCO)cc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000045324652 562661217 /nfs/dbraw/zinc/66/12/17/562661217.db2.gz ATLHTKSZGMIXLX-ZRZAMGCNSA-N 0 0 513.602 4.060 1 0 KIAFRN CCc1cc2c(nc(N3CC[C@H](O)C3)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000045325049 562661227 /nfs/dbraw/zinc/66/12/27/562661227.db2.gz CGXMHPZJBQGCMG-QHCPKHFHSA-N 0 0 513.667 4.454 1 0 KIAFRN CCc1cc2c(nc(N3CC[C@@H](O)C3)nc2N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)s1 ZINC000045325050 562661226 /nfs/dbraw/zinc/66/12/26/562661226.db2.gz CGXMHPZJBQGCMG-HSZRJFAPSA-N 0 0 513.667 4.454 1 0 KIAFRN COc1ccc(CNC(=O)/C=C\C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045337529 562661422 /nfs/dbraw/zinc/66/14/22/562661422.db2.gz UNSUHDBOOTYLHX-SYQCEIMASA-N 0 0 504.030 4.455 1 0 KIAFRN COc1ccc(CNC(=O)/C=C\C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045337531 562661429 /nfs/dbraw/zinc/66/14/29/562661429.db2.gz UNSUHDBOOTYLHX-CPWWBXQMSA-N 0 0 504.030 4.455 1 0 KIAFRN CN(C)C(=O)C(=O)c1ccc2c(c1)C=C(C(=O)N1CCC(Cc3ccc(F)cc3)CC1)[C@H](C(F)(F)F)O2 ZINC000045338470 562661509 /nfs/dbraw/zinc/66/15/09/562661509.db2.gz SDZWSQGNGIUULT-XMMPIXPASA-N 0 0 518.507 4.285 1 0 KIAFRN CN(C)C(=O)C(=O)c1ccc2c(c1)C=C(C(=O)N1CCC(Cc3ccc(F)cc3)CC1)[C@@H](C(F)(F)F)O2 ZINC000045338472 562661505 /nfs/dbraw/zinc/66/15/05/562661505.db2.gz SDZWSQGNGIUULT-DEOSSOPVSA-N 0 0 518.507 4.285 1 0 KIAFRN CC(C)n1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(N(C)C)cc3)cc1)nc2N1CCOCC1 ZINC000045338484 562661458 /nfs/dbraw/zinc/66/14/58/562661458.db2.gz XPMHSWIMONQOGG-UHFFFAOYSA-N 0 0 501.595 4.016 1 0 KIAFRN NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1cc(OCCN3CCOCC3)ccc1CC2 ZINC000045338547 562661491 /nfs/dbraw/zinc/66/14/91/562661491.db2.gz ZCXWPZMAPVYKBB-UHFFFAOYSA-N 0 0 525.609 4.452 1 0 KIAFRN COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000045338572 562661464 /nfs/dbraw/zinc/66/14/64/562661464.db2.gz TXYCYCZSMWRDME-PFONDFGASA-N 0 0 505.565 4.080 1 0 KIAFRN C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 ZINC000045339900 562661574 /nfs/dbraw/zinc/66/15/74/562661574.db2.gz SALSRQVDZRKOPL-SZHLLGMXSA-N 0 0 503.977 4.364 1 0 KIAFRN NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1ccc(OCCN3CCOCC3)cc1CC2 ZINC000045354434 562661802 /nfs/dbraw/zinc/66/18/02/562661802.db2.gz MIPZKZGHHCXTSG-UHFFFAOYSA-N 0 0 525.609 4.452 1 0 KIAFRN CCN1CCN(C(=O)c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2Cn2cncn2)CC1 ZINC000045354923 562661798 /nfs/dbraw/zinc/66/17/98/562661798.db2.gz QVWLYHLOGDMERL-UHFFFAOYSA-N 0 0 510.429 4.264 1 0 KIAFRN C[C@@H](CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000045356942 562661901 /nfs/dbraw/zinc/66/19/01/562661901.db2.gz BAMPXLDVUGWNLH-NRFANRHFSA-N 0 0 523.666 4.485 1 0 KIAFRN C[C@H](CN1CCN(c2ncccn2)CC1)NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 ZINC000045356945 562661904 /nfs/dbraw/zinc/66/19/04/562661904.db2.gz BAMPXLDVUGWNLH-OAQYLSRUSA-N 0 0 523.666 4.485 1 0 KIAFRN Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)N(O)C3CCC(F)(F)CC3)c(F)c2)n1 ZINC000045357136 562661960 /nfs/dbraw/zinc/66/19/60/562661960.db2.gz RNQBAXJIHWGMKD-UHFFFAOYSA-N 0 0 513.883 4.349 1 0 KIAFRN O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCN(C(=O)C2CCCC2)CC1 ZINC000045358326 562661974 /nfs/dbraw/zinc/66/19/74/562661974.db2.gz RWGKTDIVOONWAN-UHFFFAOYSA-N 0 0 519.404 4.139 1 0 KIAFRN CC(C)OC(=O)N1CCN([C@H]2c3ccc(Cl)cc3C([C@@H](O)c3cncn3C)=Cc3cccnc32)CC1 ZINC000045364671 562662046 /nfs/dbraw/zinc/66/20/46/562662046.db2.gz XAQRHVUJYZWITH-IZZNHLLZSA-N 0 0 508.022 4.308 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC2CC2)cc1 ZINC000045367660 562662147 /nfs/dbraw/zinc/66/21/47/562662147.db2.gz WUCMKNBEIOKYLN-UHFFFAOYSA-N 0 0 511.610 4.327 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3OC)CC2)CC2CCCCC2)cc1 ZINC000045369014 562662178 /nfs/dbraw/zinc/66/21/78/562662178.db2.gz JKNQEPCKBWGZDH-UHFFFAOYSA-N 0 0 515.720 4.487 1 0 KIAFRN COC1(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(-c5c(C)nn(C)c5C)c4o3)cn2)CCOCC1 ZINC000045374900 562662346 /nfs/dbraw/zinc/66/23/46/562662346.db2.gz NWXMOGAAGJJIMH-UHFFFAOYSA-N 0 0 506.534 4.249 1 0 KIAFRN O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCN(c2cccnc2)CC1 ZINC000045386348 562662379 /nfs/dbraw/zinc/66/23/79/562662379.db2.gz ANYJNHMAMLLSCK-UHFFFAOYSA-N 0 0 500.361 4.022 1 0 KIAFRN C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 ZINC000045387196 562662410 /nfs/dbraw/zinc/66/24/10/562662410.db2.gz SALSRQVDZRKOPL-VKZJTJHYSA-N 0 0 503.977 4.364 1 0 KIAFRN O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n32)ccc1F)N1CCN(c2ccccn2)CC1 ZINC000045390908 562662546 /nfs/dbraw/zinc/66/25/46/562662546.db2.gz HFJVTAHWORYIOK-UHFFFAOYSA-N 0 0 500.361 4.022 1 0 KIAFRN Cc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1=O ZINC000045391646 562662548 /nfs/dbraw/zinc/66/25/48/562662548.db2.gz UVAUHFHRTCJRKU-QFIPXVFZSA-N 0 0 509.393 4.378 1 0 KIAFRN Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000045391676 562662539 /nfs/dbraw/zinc/66/25/39/562662539.db2.gz BNISULLNZMJGIR-IZZNHLLZSA-N 0 0 521.065 4.271 1 0 KIAFRN CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccc(Br)c1)n2CCC(N)=O ZINC000045483753 562662561 /nfs/dbraw/zinc/66/25/61/562662561.db2.gz JCTYSOVQZGLZOP-UHFFFAOYSA-N 0 0 526.435 4.470 1 0 KIAFRN CCc1ccc(-n2cc(C(=O)[N-]OC)c(=O)c3cnc(Nc4ccc(C5CC[NH+](C)CC5)cc4)nc32)cc1 ZINC000045497054 562662713 /nfs/dbraw/zinc/66/27/13/562662713.db2.gz UUPUBCATMNHIGK-UHFFFAOYSA-N 0 0 512.614 4.187 1 0 KIAFRN OC[C@H]1O[C@H](n2c3cc(Cl)c(Cl)cc3nc2SCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O ZINC000049015155 562663301 /nfs/dbraw/zinc/66/33/01/562663301.db2.gz AQNKYTQMBPBVEP-TVFCKZIOSA-N 0 0 509.333 4.266 1 0 KIAFRN Cc1cc(N2CCN(CCF)CC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)[nH]c21 ZINC000049016487 562663288 /nfs/dbraw/zinc/66/32/88/562663288.db2.gz ZAKBVBOEYCRZJE-HSZRJFAPSA-N 0 0 525.028 4.117 1 0 KIAFRN COc1ccc(CCN2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000049047598 562663741 /nfs/dbraw/zinc/66/37/41/562663741.db2.gz SHELADMJAUIJHX-UHFFFAOYSA-N 0 0 503.551 4.252 1 0 KIAFRN CCCC[C@H](NC(=O)O[C@@H]1CN(C(=O)c2ccccc2)CC1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000049051303 562663789 /nfs/dbraw/zinc/66/37/89/562663789.db2.gz KABYGRIYKORKIM-FGCOXFRFSA-N 0 0 507.631 4.269 1 0 KIAFRN C[C@H](Nc1nccc(N(CC2CCN(C(N)=O)CC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1 ZINC000049069810 562664114 /nfs/dbraw/zinc/66/41/14/562664114.db2.gz VSIDYBPOYVJVTE-IBGZPJMESA-N 0 0 500.603 4.022 1 0 KIAFRN COc1cc(C(=O)Oc2cccc(F)c2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000049073281 562664276 /nfs/dbraw/zinc/66/42/76/562664276.db2.gz TZKAPSSDJLEREP-UHFFFAOYSA-N 0 0 516.474 4.316 1 0 KIAFRN Cn1cccc1C(=O)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049073485 562664311 /nfs/dbraw/zinc/66/43/11/562664311.db2.gz DXEPRYMIMRYMRQ-UHFFFAOYSA-N 0 0 511.605 4.287 1 0 KIAFRN CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F ZINC000049089446 562664419 /nfs/dbraw/zinc/66/44/19/562664419.db2.gz IEMOENSJCRZHOW-UHFFFAOYSA-N 0 0 527.018 4.142 1 0 KIAFRN COc1ccc(CN2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000049110393 562664521 /nfs/dbraw/zinc/66/45/21/562664521.db2.gz FZCHXOMCMFIBCP-UHFFFAOYSA-N 0 0 519.550 4.218 1 0 KIAFRN O=C(c1cccnc1)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000049113593 562664629 /nfs/dbraw/zinc/66/46/29/562664629.db2.gz YQIPFEIQIMLPOP-UHFFFAOYSA-N 0 0 509.589 4.344 1 0 KIAFRN COc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)cc(OC)c1OC ZINC000049115661 562664744 /nfs/dbraw/zinc/66/47/44/562664744.db2.gz HLGHAHZUUARNCW-UHFFFAOYSA-N 0 0 519.623 4.220 1 0 KIAFRN COc1ccc(-c2nc3c4cn(C)nc4nc(N(C(=O)c4ccccc4)C(=O)c4ccccc4)n3n2)cc1 ZINC000049125839 562664723 /nfs/dbraw/zinc/66/47/23/562664723.db2.gz BHIAMMOJJASTFP-UHFFFAOYSA-N 0 0 503.522 4.174 1 0 KIAFRN COc1cccc(S(=O)(=O)N(Cc2cccs2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccccc3)C(=O)O2)c1 ZINC000049592939 562664970 /nfs/dbraw/zinc/66/49/70/562664970.db2.gz LSEJXJJBPLLLBF-JBOQNHBVSA-N 0 0 635.764 4.061 1 0 KIAFRN CS(=O)(=O)CCNC(=O)c1ccc(-c2cc3c(cn2)ncnc3Nc2ccc3c(cnn3Cc3ccccc3)c2)o1 ZINC000049605141 562665379 /nfs/dbraw/zinc/66/53/79/562665379.db2.gz OLTKCLCQFKBLKU-UHFFFAOYSA-N 0 0 567.631 4.201 1 0 KIAFRN O=C(Nc1ccc(Br)cc1)N(CCN1CCOCC1)C[C@H](O)COCc1ccc(Cl)c(Cl)c1 ZINC000049605390 562665773 /nfs/dbraw/zinc/66/57/73/562665773.db2.gz TWGCNYWTBHTXEA-FQEVSTJZSA-N 0 0 561.304 4.500 1 0 KIAFRN O=C(Nc1ccc(Br)cc1)N(CCN1CCOCC1)C[C@@H](O)COCc1ccc(Cl)c(Cl)c1 ZINC000049605391 562665817 /nfs/dbraw/zinc/66/58/17/562665817.db2.gz TWGCNYWTBHTXEA-HXUWFJFHSA-N 0 0 561.304 4.500 1 0 KIAFRN COc1ccc(CCNC(=O)c2cnc3c(c2)nc(-c2c[nH]c(-c4ccccc4)n2)n3CCc2c[nH]cn2)cc1 ZINC000049605509 562665947 /nfs/dbraw/zinc/66/59/47/562665947.db2.gz SNDIROSYLBMCNQ-UHFFFAOYSA-N 0 0 532.608 4.435 1 0 KIAFRN COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049605610 562666050 /nfs/dbraw/zinc/66/60/50/562666050.db2.gz VFMBWJNCHGLVBQ-UHFFFAOYSA-N 0 0 568.678 4.244 1 0 KIAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc32)NC1=O ZINC000049605918 562666406 /nfs/dbraw/zinc/66/64/06/562666406.db2.gz WSPZAXPNRNZYQV-SOJMTTIHSA-N 0 0 672.665 4.298 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C1CCCC1 ZINC000049605951 562666441 /nfs/dbraw/zinc/66/64/41/562666441.db2.gz SCVGALCLJNKWJI-MXKPVQFSSA-N 0 0 631.880 4.226 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C1CCCC1 ZINC000049605972 562666447 /nfs/dbraw/zinc/66/64/47/562666447.db2.gz SCVGALCLJNKWJI-VKKKTGERSA-N 0 0 631.880 4.226 1 0 KIAFRN O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccc2)S1(=O)=O ZINC000049605979 562666492 /nfs/dbraw/zinc/66/64/92/562666492.db2.gz WALQPAXBTKJPQQ-HTQIHCHASA-N 0 0 639.818 4.045 1 0 KIAFRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cccnc43)cc2)NC(=O)c2ccccc2)CC1 ZINC000049614066 562666523 /nfs/dbraw/zinc/66/65/23/562666523.db2.gz RNJACLVICKCHBE-NDEPHWFRSA-N 0 0 644.750 4.423 1 0 KIAFRN COc1ccc(S(=O)(=O)Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1 ZINC000049616146 562666774 /nfs/dbraw/zinc/66/67/74/562666774.db2.gz CYGFUONUVXAWPM-LJAQVGFWSA-N 0 0 653.754 4.380 1 0 KIAFRN CCCc1ccc(S(=O)(=O)NC2CCN(C(=O)Nc3ccc(I)cc3)CC2)cc1 ZINC000049625817 562666864 /nfs/dbraw/zinc/66/68/64/562666864.db2.gz TYIJSRYHQTXCGJ-UHFFFAOYSA-N 0 0 527.428 4.219 1 0 KIAFRN CCN1CCN(C(=O)N[C@H](C(=O)N2CCC[C@H](COc3ccc(Cc4ccccc4)cc3)C2)c2cccs2)C(=O)C1=O ZINC000049626035 562666968 /nfs/dbraw/zinc/66/69/68/562666968.db2.gz QRSRKZZWMQVOIW-LSYYVWMOSA-N 0 0 588.730 4.098 1 0 KIAFRN CCN1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@H](COc3ccc(Cc4ccccc4)cc3)C2)c2cccs2)C(=O)C1=O ZINC000049626038 562666970 /nfs/dbraw/zinc/66/69/70/562666970.db2.gz QRSRKZZWMQVOIW-LBNVMWSVSA-N 0 0 588.730 4.098 1 0 KIAFRN CCN1CCN(C(=O)N[C@H](C(=O)N2CCC[C@@H](COc3ccc(Cc4ccccc4)cc3)C2)c2cccs2)C(=O)C1=O ZINC000049626042 562666920 /nfs/dbraw/zinc/66/69/20/562666920.db2.gz QRSRKZZWMQVOIW-NAKRPHOHSA-N 0 0 588.730 4.098 1 0 KIAFRN CCN1CCN(C(=O)N[C@@H](C(=O)N2CCC[C@@H](COc3ccc(Cc4ccccc4)cc3)C2)c2cccs2)C(=O)C1=O ZINC000049626046 562666964 /nfs/dbraw/zinc/66/69/64/562666964.db2.gz QRSRKZZWMQVOIW-LEAFIULHSA-N 0 0 588.730 4.098 1 0 KIAFRN COc1cc2nc(N3CCC(CNC(=O)c4cc(Br)c(Br)s4)CC3)nc(N)c2cc1OC ZINC000049626196 562667045 /nfs/dbraw/zinc/66/70/45/562667045.db2.gz CKTDLENGCOBLHG-UHFFFAOYSA-N 0 0 585.322 4.462 1 0 KIAFRN NS(=O)(=O)c1cccc(NC=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c1 ZINC000049626618 562667251 /nfs/dbraw/zinc/66/72/51/562667251.db2.gz XBYFPAAZDSQQPI-BOPFTXTBSA-N 0 0 538.434 4.020 1 0 KIAFRN CC(=O)NCCNc1nccc(N2CCc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3C2)n1 ZINC000049626785 562667337 /nfs/dbraw/zinc/66/73/37/562667337.db2.gz WUPFHVDLPHQYIR-UHFFFAOYSA-N 0 0 563.037 4.492 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000049627495 562667501 /nfs/dbraw/zinc/66/75/01/562667501.db2.gz NFVMZTGQYWKGPM-JRJNJTSPSA-N 0 0 722.883 4.357 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049639255 562667702 /nfs/dbraw/zinc/66/77/02/562667702.db2.gz QXQJZDOHHXFZLJ-VWLOTQADSA-N 0 0 542.463 4.156 1 0 KIAFRN CCC[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)[C@@H](O)CC[S@@](=O)CC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000049654730 562668141 /nfs/dbraw/zinc/66/81/41/562668141.db2.gz XYGYIBMZWDIBCG-ZFXGSRBRSA-N 0 0 705.959 4.112 1 0 KIAFRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cccnc43)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000049669790 562668194 /nfs/dbraw/zinc/66/81/94/562668194.db2.gz APJJTTDRTDKBGK-LJAQVGFWSA-N 0 0 694.832 4.280 1 0 KIAFRN Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCc1ccc2c([nH+]1)NCCC2 ZINC000049677890 562668372 /nfs/dbraw/zinc/66/83/72/562668372.db2.gz LRJXQAWFNQBGLZ-QHCPKHFHSA-N 0 0 578.613 4.027 1 0 KIAFRN Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCCc1ccc2c([nH+]1)NCCC2 ZINC000049677924 562668360 /nfs/dbraw/zinc/66/83/60/562668360.db2.gz GFGRBKXJVOAPLF-DEOSSOPVSA-N 0 0 592.640 4.417 1 0 KIAFRN CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C[NH+](CC)CC)CC3)nc(-c3ccccc3)n2)CC1 ZINC000049678149 562668464 /nfs/dbraw/zinc/66/84/64/562668464.db2.gz FROMLTZQUDUXPE-LJAQVGFWSA-N 0 0 679.863 4.136 1 0 KIAFRN Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(=O)[O-])cc2N)[nH+]1 ZINC000049678360 562668527 /nfs/dbraw/zinc/66/85/27/562668527.db2.gz IALCADUNFMACEG-QFIPXVFZSA-N 0 0 566.602 4.236 1 0 KIAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049678454 562668586 /nfs/dbraw/zinc/66/85/86/562668586.db2.gz YPXXHURYIWPWFC-MKKRQWMVSA-N 0 0 643.829 4.272 1 0 KIAFRN CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CN(Cc3cc(Cl)cc(Cl)c3)C(=O)C(C)(C)C)cc1C2 ZINC000049678888 562668715 /nfs/dbraw/zinc/66/87/15/562668715.db2.gz YGEIGJIGEZGYQV-SANMLTNESA-N 0 0 531.440 4.026 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@H]2C(=O)OC/C=C/c2ccccc2)OCO4)cc(OC)c1OC ZINC000049678964 562668681 /nfs/dbraw/zinc/66/86/81/562668681.db2.gz YJIWRDMQVJJYHL-HPQSZNKVSA-N 0 0 548.588 4.101 1 0 KIAFRN CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1COCc1ccccc1 ZINC000049679546 562668912 /nfs/dbraw/zinc/66/89/12/562668912.db2.gz FKAZCQZUYQPWFL-UHFFFAOYSA-N 0 0 524.620 4.366 1 0 KIAFRN Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NC[C@@H](O)c5cccc(N)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049679848 562669009 /nfs/dbraw/zinc/66/90/09/562669009.db2.gz QBFLGGAPPXHPSJ-SSEXGKCCSA-N 0 0 715.827 4.238 1 0 KIAFRN Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NC[C@H](O)c5cccc(N)c5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1 ZINC000049679851 562669031 /nfs/dbraw/zinc/66/90/31/562669031.db2.gz 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562669454 /nfs/dbraw/zinc/66/94/54/562669454.db2.gz NUSAFLBOZPZDRJ-IBGZPJMESA-N 0 0 566.632 4.200 1 0 KIAFRN Cc1cc[nH+]c(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C(=O)[O-])cc2N)c1 ZINC000049694549 562669462 /nfs/dbraw/zinc/66/94/62/562669462.db2.gz MMTMLJZCVSAZFC-QFIPXVFZSA-N 0 0 566.602 4.236 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)CC(=O)Nc1ncccc12 ZINC000049694557 562669480 /nfs/dbraw/zinc/66/94/80/562669480.db2.gz QQUAFLOYNUYKDZ-OXQOHEQNSA-N 0 0 565.543 4.082 1 0 KIAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@H](CNS(=O)(=O)c2ccc(OC)cc2)O3)C=CC(C)(C)O1 ZINC000049694589 562669531 /nfs/dbraw/zinc/66/95/31/562669531.db2.gz FDXOWZDGYAWEQE-GOSISDBHSA-N 0 0 539.606 4.251 1 0 KIAFRN CCCc1cc(=O)oc2c1c1c(c3c2C(=O)C[C@@H](CNS(=O)(=O)c2ccc(OC)cc2)O3)C=CC(C)(C)O1 ZINC000049694590 562669528 /nfs/dbraw/zinc/66/95/28/562669528.db2.gz FDXOWZDGYAWEQE-SFHVURJKSA-N 0 0 539.606 4.251 1 0 KIAFRN 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CN1CCN([C@@H](C(=O)Nc2ccc(NC(=O)c3cccnc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049771125 562677960 /nfs/dbraw/zinc/67/79/60/562677960.db2.gz MKGQDGMXYNSOLI-GDLZYMKVSA-N 0 0 533.632 4.492 1 0 KIAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1-c1ccccc1OC ZINC000049771237 562678066 /nfs/dbraw/zinc/67/80/66/562678066.db2.gz TYIFFYREMIPJJC-OFVILXPXSA-N 0 0 546.620 4.250 1 0 KIAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1-c1ccccc1OC ZINC000049771238 562678064 /nfs/dbraw/zinc/67/80/64/562678064.db2.gz TYIFFYREMIPJJC-BWKNWUBXSA-N 0 0 546.620 4.250 1 0 KIAFRN CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCCCCCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)[C@H](O)[C@@H]1O ZINC000049771566 562678235 /nfs/dbraw/zinc/67/82/35/562678235.db2.gz GHVSKPLCDJFXKE-BSYZOHBLSA-N 0 0 724.929 4.092 1 0 KIAFRN CCNC(=O)[C@H]1O[C@H](n2cnc3c2ncnc3NCCCCCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)[C@H](O)[C@@H]1O ZINC000049771567 562678218 /nfs/dbraw/zinc/67/82/18/562678218.db2.gz GHVSKPLCDJFXKE-RJISQBBCSA-N 0 0 724.929 4.092 1 0 KIAFRN Cc1ccc(-c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)cn1 ZINC000049771812 562678427 /nfs/dbraw/zinc/67/84/27/562678427.db2.gz OCFXCPWOAGYDSC-UHFFFAOYSA-N 0 0 529.988 4.205 1 0 KIAFRN COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1-c1ccccc1C ZINC000049771841 562678417 /nfs/dbraw/zinc/67/84/17/562678417.db2.gz BENFTLSGZLBRJY-BWKNWUBXSA-N 0 0 548.661 4.256 1 0 KIAFRN O=C(NC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cccc3ccccc32)[C@H](O)[C@@H]1O)C(c1ccccc1)c1ccccc1 ZINC000049771869 562678479 /nfs/dbraw/zinc/67/84/79/562678479.db2.gz LJCLUWZNQYVJDG-PLXIXOFTSA-N 0 0 600.679 4.159 1 0 KIAFRN O=C(NC[C@H]1O[C@H](n2cnc3c2ncnc3NCc2cccc3ccccc32)[C@H](O)[C@@H]1O)C(c1ccccc1)c1ccccc1 ZINC000049771870 562678468 /nfs/dbraw/zinc/67/84/68/562678468.db2.gz LJCLUWZNQYVJDG-HYSDEYDMSA-N 0 0 600.679 4.159 1 0 KIAFRN Nc1c(C(=O)N2NC(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)sc(=S)n1-c1ccccc1 ZINC000049774603 562678668 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562700387 /nfs/dbraw/zinc/70/03/87/562700387.db2.gz YBMWZGDSDMFQPD-XMMPIXPASA-N 0 0 509.006 4.350 1 0 KIAFRN Cc1cc(C)c(C(=O)OCC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1 ZINC000058591393 562700484 /nfs/dbraw/zinc/70/04/84/562700484.db2.gz OFCOJPYLXMKAGH-OZXSUGGESA-N 0 0 530.621 4.380 1 0 KIAFRN CC(C)C[C@H]1C(=O)N(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)S(=O)(=O)N1C ZINC000058591451 562700434 /nfs/dbraw/zinc/70/04/34/562700434.db2.gz GEWXMYBCLPEJAY-IBGZPJMESA-N 0 0 514.431 4.214 1 0 KIAFRN NC(=O)C[C@H](NCCc1nc(C(=O)OCc2ccccc2)cc2c3ccccc3[nH]c21)C(=O)OCc1ccccc1 ZINC000058591853 562700501 /nfs/dbraw/zinc/70/05/01/562700501.db2.gz JSTAOCIWIHVIEF-MHZLTWQESA-N 0 0 550.615 4.193 1 0 KIAFRN CCCOC(=O)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1 ZINC000058591901 562700514 /nfs/dbraw/zinc/70/05/14/562700514.db2.gz XOODLPVVNFYOQH-SFTDATJTSA-N 0 0 540.979 4.302 1 0 KIAFRN CC(=O)O[C@@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cnc3c2ncnc3NCc2ccc(F)cc2)[C@]1(C)F ZINC000058592433 562700578 /nfs/dbraw/zinc/70/05/78/562700578.db2.gz HCAJOWIPQCOWDI-XGIDPOPLSA-N 0 0 551.550 4.382 1 0 KIAFRN CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4cccc(C)c4n3)c2)o1)C1CCCCC1 ZINC000058592575 562700657 /nfs/dbraw/zinc/70/06/57/562700657.db2.gz KMPABSMQUVIRLC-AREMUKBSSA-N 0 0 527.625 4.257 1 0 KIAFRN CCc1cncc(C(=O)NCc2cccc(-c3ccc(C(=O)N[C@@H](C(=O)NC)C4CCCCC4)o3)c2)c1 ZINC000058592770 562700693 /nfs/dbraw/zinc/70/06/93/562700693.db2.gz CSSYENOYWSXNTO-AREMUKBSSA-N 0 0 502.615 4.259 1 0 KIAFRN O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CCN[C@@H](CO)C(=O)OCc2ccccc2)n1 ZINC000058592786 562700713 /nfs/dbraw/zinc/70/07/13/562700713.db2.gz RDSBIQPIBMIEKA-NDEPHWFRSA-N 0 0 523.589 4.310 1 0 KIAFRN C[C@@H](NC(=O)c1cc(NC(=O)CC[C@@](O)(CCc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000058594292 562700715 /nfs/dbraw/zinc/70/07/15/562700715.db2.gz XQNJAMRLHRQUHB-BPAHHYMUSA-N 0 0 712.869 4.431 1 0 KIAFRN O=C(NN1C(=O)C=CC1=O)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000058602773 562700843 /nfs/dbraw/zinc/70/08/43/562700843.db2.gz BHBBPCPUSOKVBZ-UHFFFAOYSA-N 0 0 594.219 4.148 1 0 KIAFRN O=C(NN1C(=O)CCC1=O)c1ccc(-n2c(=O)c3cc(Br)cc(Br)c3nc2-c2ccccc2)cc1 ZINC000058602786 562700882 /nfs/dbraw/zinc/70/08/82/562700882.db2.gz YNLXAROXNDQXRU-UHFFFAOYSA-N 0 0 596.235 4.372 1 0 KIAFRN O=C(CN1CCN(c2nnc(Cc3ccncc3)c3ccccc32)CC1)Nc1ccc(Br)cc1 ZINC000058603036 562700891 /nfs/dbraw/zinc/70/08/91/562700891.db2.gz IBWQCDPXHDQVEX-UHFFFAOYSA-N 0 0 517.431 4.139 1 0 KIAFRN O=C(CN1CCN(c2nnc(Cc3ccncc3)c3ccccc32)CC1)Nc1cccc(Br)c1 ZINC000058603281 562700918 /nfs/dbraw/zinc/70/09/18/562700918.db2.gz AJTPAKDWPJVHDR-UHFFFAOYSA-N 0 0 517.431 4.139 1 0 KIAFRN CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1 ZINC000058608737 562700982 /nfs/dbraw/zinc/70/09/82/562700982.db2.gz XNJMHRSWZHLZOT-ZDCRTTOTSA-N 0 0 595.740 4.341 1 0 KIAFRN CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1Cl ZINC000058615658 562701080 /nfs/dbraw/zinc/70/10/80/562701080.db2.gz ZWHQLAPMFTYJKB-LJQANCHMSA-N 0 0 509.857 4.219 1 0 KIAFRN CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)[C@H](c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C ZINC000058632041 562701163 /nfs/dbraw/zinc/70/11/63/562701163.db2.gz NUOROLSRIMMSEX-CUPIEXAXSA-N 0 0 692.879 4.026 1 0 in-vitro KIAFRN CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)[C@@H](c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C ZINC000058632044 562701167 /nfs/dbraw/zinc/70/11/67/562701167.db2.gz NUOROLSRIMMSEX-GZXHTMMISA-N 0 0 692.879 4.026 1 0 in-vitro KIAFRN CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccc(Cl)cc2)cn3Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000058632877 562701165 /nfs/dbraw/zinc/70/11/65/562701165.db2.gz UNFJKYZUZIXOQX-UHFFFAOYSA-N 0 0 598.096 4.355 1 0 in-vitro KIAFRN Cc1ccc([C@](Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000058648757 562701248 /nfs/dbraw/zinc/70/12/48/562701248.db2.gz KLCIZWZJYIVNCF-RBLPGQSGSA-N 0 0 643.695 4.145 1 0 KIAFRN COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000058651166 562701352 /nfs/dbraw/zinc/70/13/52/562701352.db2.gz VYGOTEMSIJGVKN-CERRFVOPSA-N 0 0 518.635 4.422 1 0 KIAFRN O=C(Nc1ccc(Cl)cc1)[C@H]1CN(CC(F)(F)F)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058660685 562701409 /nfs/dbraw/zinc/70/14/09/562701409.db2.gz TYMJFUUUNPEDQB-OALUTQOASA-N 0 0 536.913 4.318 1 0 in-vitro KIAFRN CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1ncc[nH]1 ZINC000058685327 562701556 /nfs/dbraw/zinc/70/15/56/562701556.db2.gz QZPVPNVPXFQKML-HOFKKMOUSA-N 0 0 599.961 4.428 1 0 KIAFRN Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)[C@H]4CCc5c(N)nccc5C4)nc3Cl)ccc12 ZINC000059099350 562701733 /nfs/dbraw/zinc/70/17/33/562701733.db2.gz ICSJXVUUSDNFIJ-AVRDEDQJSA-N 0 0 527.032 4.371 1 0 KIAFRN COc1cc(N2CCC(C(N)=O)CC2)ccc1Nc1nc(N)c(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000059150044 562701751 /nfs/dbraw/zinc/70/17/51/562701751.db2.gz IMEGLYUXMGWVQA-UHFFFAOYSA-N 0 0 574.107 4.092 1 0 KIAFRN CS(=O)(=O)N=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059278280 562701949 /nfs/dbraw/zinc/70/19/49/562701949.db2.gz NURCGXKPORCHFY-MGBGTMOVSA-N 0 0 541.438 4.309 1 0 KIAFRN C[S@](=O)(=NC(N)=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059279137 562701973 /nfs/dbraw/zinc/70/19/73/562701973.db2.gz JNRQXTXAIBZIMJ-MGBGTMOVSA-N 0 0 506.371 4.428 1 0 KIAFRN CN(C)CC(=O)N=[S@@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059282112 562701983 /nfs/dbraw/zinc/70/19/83/562701983.db2.gz ZNTQTNWJBVNPNS-BHVANESWSA-N 0 0 548.452 4.438 1 0 KIAFRN C[S@](=O)(=NC(=O)CN1CCC(O)CC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059284620 562702001 /nfs/dbraw/zinc/70/20/01/562702001.db2.gz ZFZRERILHMESQN-RRHRGVEJSA-N 0 0 604.516 4.333 1 0 KIAFRN C[S@](=O)(=NC(=O)CN1CCOCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059285761 562701979 /nfs/dbraw/zinc/70/19/79/562701979.db2.gz KPKXDSSAQFCCHQ-LDLOPFEMSA-N 0 0 590.489 4.209 1 0 KIAFRN CN1CCN(CC(=O)N=[S@](C)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000059285765 562701974 /nfs/dbraw/zinc/70/19/74/562701974.db2.gz AQBNCZQUYGZHCU-RRHRGVEJSA-N 0 0 603.532 4.124 1 0 KIAFRN COc1ccc(I)cc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O ZINC000059287553 562701980 /nfs/dbraw/zinc/70/19/80/562701980.db2.gz YFFFKMNIXCTNOP-UHFFFAOYSA-N 0 0 538.691 4.461 1 0 KIAFRN O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2cc(N3CCOCC3)ccc2Cl)C(=O)C1 ZINC000059298071 562702002 /nfs/dbraw/zinc/70/20/02/562702002.db2.gz JNVRXGQPVDXAMU-UHFFFAOYSA-N 0 0 502.320 4.338 1 0 KIAFRN O=C(c1cccc(C(F)(F)F)c1Cl)N1CCN(c2cccc(N3CCOCC3)c2Cl)C(=O)C1 ZINC000059298073 562701968 /nfs/dbraw/zinc/70/19/68/562701968.db2.gz OVCYELXZOXSSOJ-UHFFFAOYSA-N 0 0 502.320 4.338 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326572 562702661 /nfs/dbraw/zinc/70/26/61/562702661.db2.gz KUJQUHGRGKKEPO-AWEZNQCLSA-N 0 0 502.534 4.021 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326573 562702669 /nfs/dbraw/zinc/70/26/69/562702669.db2.gz KUJQUHGRGKKEPO-CQSZACIVSA-N 0 0 502.534 4.021 1 0 KIAFRN CCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327131 562702718 /nfs/dbraw/zinc/70/27/18/562702718.db2.gz LJTWPGNEUJLDBK-ZDUSSCGKSA-N 0 0 507.962 4.479 1 0 KIAFRN CCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327132 562702690 /nfs/dbraw/zinc/70/26/90/562702690.db2.gz LJTWPGNEUJLDBK-CYBMUJFWSA-N 0 0 507.962 4.479 1 0 KIAFRN CC(C)COc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327662 562702782 /nfs/dbraw/zinc/70/27/82/562702782.db2.gz TXEHFIPHYRSSEK-ZDUSSCGKSA-N 0 0 507.962 4.335 1 0 KIAFRN CC(C)COc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327663 562702794 /nfs/dbraw/zinc/70/27/94/562702794.db2.gz TXEHFIPHYRSSEK-CYBMUJFWSA-N 0 0 507.962 4.335 1 0 KIAFRN CCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000060327909 562702788 /nfs/dbraw/zinc/70/27/88/562702788.db2.gz RJDFKPKPDCHQJB-HNNXBMFYSA-N 0 0 546.587 4.036 1 0 KIAFRN CCOC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000060327910 562702775 /nfs/dbraw/zinc/70/27/75/562702775.db2.gz RJDFKPKPDCHQJB-OAHLLOKOSA-N 0 0 546.587 4.036 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(NS(C)(=O)=O)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328412 562702815 /nfs/dbraw/zinc/70/28/15/562702815.db2.gz OPGWRANPFLDQTE-AWEZNQCLSA-N 0 0 588.605 4.069 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(NS(C)(=O)=O)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328413 562702833 /nfs/dbraw/zinc/70/28/33/562702833.db2.gz OPGWRANPFLDQTE-CQSZACIVSA-N 0 0 588.605 4.069 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1CC1(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328611 562702800 /nfs/dbraw/zinc/70/28/00/562702800.db2.gz NZLARNLWBQZCIY-BBRMVZONSA-N 0 0 517.545 4.456 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1CC1(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328612 562702835 /nfs/dbraw/zinc/70/28/35/562702835.db2.gz NZLARNLWBQZCIY-CJNGLKHVSA-N 0 0 517.545 4.456 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@H]1CC1(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328613 562702807 /nfs/dbraw/zinc/70/28/07/562702807.db2.gz NZLARNLWBQZCIY-XJKSGUPXSA-N 0 0 517.545 4.456 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@H]1CC1(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328614 562702837 /nfs/dbraw/zinc/70/28/37/562702837.db2.gz NZLARNLWBQZCIY-CZUORRHYSA-N 0 0 517.545 4.456 1 0 KIAFRN C[C@H](C(=O)NCCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328615 562702822 /nfs/dbraw/zinc/70/28/22/562702822.db2.gz TXOGTKOWCWPPTM-INIZCTEOSA-N 0 0 530.588 4.310 1 0 KIAFRN C[C@@H](C(=O)NCCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328616 562702831 /nfs/dbraw/zinc/70/28/31/562702831.db2.gz TXOGTKOWCWPPTM-MRXNPFEDSA-N 0 0 530.588 4.310 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328840 562702827 /nfs/dbraw/zinc/70/28/27/562702827.db2.gz ZBCNEJFPFPEMEX-HNNXBMFYSA-N 0 0 516.561 4.267 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328841 562702796 /nfs/dbraw/zinc/70/27/96/562702796.db2.gz ZBCNEJFPFPEMEX-OAHLLOKOSA-N 0 0 516.561 4.267 1 0 KIAFRN O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C\c1ccc(O)cc1 ZINC000062236362 291850875 /nfs/dbraw/zinc/85/08/75/291850875.db2.gz PFDVWJCSCYDRMZ-DZPBDQTJSA-N 0 0 583.685 4.475 1 0 biogenic,in-vitro KIAFRN COc1ccc(NC(=O)Nc2ccc(-c3csc4c3c(N)ncc4-c3cnn(C[C@H](O)CO)c3)cc2)cc1 ZINC000063539805 562704483 /nfs/dbraw/zinc/70/44/83/562704483.db2.gz BRTHUECZMVKNMQ-FQEVSTJZSA-N 0 0 530.610 4.415 1 0 KIAFRN CS(=O)(=O)c1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)N2CCCCCC2)cc1 ZINC000064251698 562704660 /nfs/dbraw/zinc/70/46/60/562704660.db2.gz FEIBNMBBWIVWBL-OAQYLSRUSA-N 0 0 504.596 4.005 1 0 KIAFRN CS(=O)(=O)c1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCCCCC1 ZINC000064251986 562704643 /nfs/dbraw/zinc/70/46/43/562704643.db2.gz IIFLTBDKTBBQNV-HXUWFJFHSA-N 0 0 504.596 4.005 1 0 KIAFRN COc1ccccc1CCNc1nc(Nc2ccc3ncccc3c2)nc(N[C@H](Cc2c[nH]c3ncccc23)C(N)=O)n1 ZINC000064303487 562704710 /nfs/dbraw/zinc/70/47/10/562704710.db2.gz OMWYORTUSDNQOK-RUZDIDTESA-N 0 0 574.649 4.211 1 0 KIAFRN CC(C)Cc1ccc([C@H](C)C(=O)OCN2C(=O)[C@H](CC(C)C)N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000064373322 562704850 /nfs/dbraw/zinc/70/48/50/562704850.db2.gz AUWLHXSGXBDJHD-OFVILXPXSA-N 0 0 500.661 4.493 1 0 KIAFRN CC(C)N(Cc1cn(Cc2c(Cl)cccc2Cl)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064415831 562705093 /nfs/dbraw/zinc/70/50/93/562705093.db2.gz UQSJKGGUSSDCSW-XMMPIXPASA-N 0 0 536.414 4.301 1 0 KIAFRN CC(C)N(Cc1cn(Cc2c(Cl)cccc2Cl)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064415832 562705081 /nfs/dbraw/zinc/70/50/81/562705081.db2.gz UQSJKGGUSSDCSW-DEOSSOPVSA-N 0 0 536.414 4.301 1 0 KIAFRN CC(C)N(Cc1cn(Cc2ccc(Cl)cc2Cl)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416771 562705075 /nfs/dbraw/zinc/70/50/75/562705075.db2.gz HIIDYTXENNSMOD-XMMPIXPASA-N 0 0 536.414 4.301 1 0 KIAFRN CC(C)N(Cc1cn(Cc2ccc(Cl)cc2Cl)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416774 562705054 /nfs/dbraw/zinc/70/50/54/562705054.db2.gz HIIDYTXENNSMOD-DEOSSOPVSA-N 0 0 536.414 4.301 1 0 KIAFRN CC(C)N(Cc1cn(Cc2ccc(C(C)(C)C)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416866 562705069 /nfs/dbraw/zinc/70/50/69/562705069.db2.gz UGKVTPJUIARFOC-MUUNZHRXSA-N 0 0 523.632 4.292 1 0 KIAFRN CC(C)N(Cc1cn(Cc2ccc(C(C)(C)C)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000064416867 562705061 /nfs/dbraw/zinc/70/50/61/562705061.db2.gz UGKVTPJUIARFOC-NDEPHWFRSA-N 0 0 523.632 4.292 1 0 KIAFRN O[C@](CN(Cc1cn(Cc2c(Cl)cccc2Cl)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064417010 562705035 /nfs/dbraw/zinc/70/50/35/562705035.db2.gz ZOCYSLYEOUODFA-XMMPIXPASA-N 0 0 534.398 4.055 1 0 KIAFRN O[C@@](CN(Cc1cn(Cc2c(Cl)cccc2Cl)nn1)C1CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000064417012 562705086 /nfs/dbraw/zinc/70/50/86/562705086.db2.gz ZOCYSLYEOUODFA-DEOSSOPVSA-N 0 0 534.398 4.055 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2)C(=O)O1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000064446808 562705325 /nfs/dbraw/zinc/70/53/25/562705325.db2.gz LESUDGJHFBNKCK-IARZGTGTSA-N 0 0 622.769 4.057 1 0 KIAFRN CC(C)(C)c1ccc(Cn2cc(CN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)C3CC3)nn2)cc1 ZINC000064448372 562705515 /nfs/dbraw/zinc/70/55/15/562705515.db2.gz YAFBHSQMOSPQAD-MUUNZHRXSA-N 0 0 521.616 4.046 1 0 KIAFRN CC(C)(C)c1ccc(Cn2cc(CN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)C3CC3)nn2)cc1 ZINC000064448373 562705519 /nfs/dbraw/zinc/70/55/19/562705519.db2.gz YAFBHSQMOSPQAD-NDEPHWFRSA-N 0 0 521.616 4.046 1 0 KIAFRN Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(CC3N=NC(=S)N3Cc3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000064454238 562705720 /nfs/dbraw/zinc/70/57/20/562705720.db2.gz IFVRCRCBFQODAN-UHFFFAOYSA-N 0 0 599.120 4.053 1 0 KIAFRN COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O ZINC000064454382 562705721 /nfs/dbraw/zinc/70/57/21/562705721.db2.gz QYNLOOMMZLFTMW-QFIPXVFZSA-N 0 0 546.730 4.471 1 0 KIAFRN COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O ZINC000064454386 562705754 /nfs/dbraw/zinc/70/57/54/562705754.db2.gz QYNLOOMMZLFTMW-JOCHJYFZSA-N 0 0 546.730 4.471 1 0 KIAFRN COc1cc(/C=C/C(=O)N2CCOCC2)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000064485867 562705851 /nfs/dbraw/zinc/70/58/51/562705851.db2.gz WWZTYCLQUMLFFZ-LBQODKDLSA-N 0 0 563.651 4.134 1 0 KIAFRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(C2=C(c3c[nH]c4ccccc43)C(=O)N(C)C2=O)c2ccccc21 ZINC000064491712 562705984 /nfs/dbraw/zinc/70/59/84/562705984.db2.gz DORDKGLPKZVRDE-MUUNZHRXSA-N 0 0 599.647 4.414 1 0 KIAFRN S=C(NCCCc1c[nH]cn1)NCCCN(CCc1ccccc1)c1ccc(Br)cn1 ZINC000064502307 562706015 /nfs/dbraw/zinc/70/60/15/562706015.db2.gz CNQQONWDWOXWLR-UHFFFAOYSA-N 0 0 501.498 4.103 1 0 KIAFRN Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(N5CCOCC5)cc(N5CCOCC5)c4)n3)c12 ZINC000064504097 562706114 /nfs/dbraw/zinc/70/61/14/562706114.db2.gz ITPFTDUSDPSFON-UHFFFAOYSA-N 0 0 506.998 4.167 1 0 KIAFRN C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1 ZINC000064512559 562706277 /nfs/dbraw/zinc/70/62/77/562706277.db2.gz XUKBIGPUDWXGDV-LNMMVMNESA-N 0 0 579.697 4.179 1 0 KIAFRN COCCCn1c2ccc(C(=O)NCc3cccc(OC)c3)cc2nc1NC(=O)c1cccc(Cl)c1 ZINC000064512777 562706270 /nfs/dbraw/zinc/70/62/70/562706270.db2.gz VKZRHUWTFCHAGN-UHFFFAOYSA-N 0 0 506.990 4.917 1 0 KIAFRN C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCCc1cccs1 ZINC000064513417 562706365 /nfs/dbraw/zinc/70/63/65/562706365.db2.gz JDWNDZCJELVSRS-GTTXMTDLSA-N 0 0 599.753 4.283 1 0 KIAFRN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC=NN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000064513714 562706481 /nfs/dbraw/zinc/70/64/81/562706481.db2.gz NHTLSJPCXWOLJQ-HXUWFJFHSA-N 0 0 515.954 4.024 1 0 KIAFRN Nc1n[nH]c2cc(N[C@@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c3ccccc3)ccc12 ZINC000064526836 562706705 /nfs/dbraw/zinc/70/67/05/562706705.db2.gz NNGJEUQLLYZMFA-RUZDIDTESA-N 0 0 512.595 4.251 1 0 KIAFRN Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)C(C)(C)Oc2ccccc2Cl)[C@@H](C)O)cc1 ZINC000064526885 562706703 /nfs/dbraw/zinc/70/67/03/562706703.db2.gz DDKULTBIORPSQP-ZEZZXZOMSA-N 0 0 580.125 4.105 1 0 KIAFRN CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000064527083 562706741 /nfs/dbraw/zinc/70/67/41/562706741.db2.gz SAWKEKRFHJVBDD-XMSQKQJNSA-N 0 0 531.993 4.155 1 0 KIAFRN Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)O)cc1 ZINC000064527310 562706892 /nfs/dbraw/zinc/70/68/92/562706892.db2.gz FBXMNEJMZXOASZ-DJDPXSJISA-N 0 0 593.724 4.487 1 0 KIAFRN Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C(=O)OC(C)(C)C)cc2)Cc2ccccc2)c1 ZINC000064527385 562706905 /nfs/dbraw/zinc/70/69/05/562706905.db2.gz UNCKCLWHKSWYEP-UHFFFAOYSA-N 0 0 564.712 4.007 1 0 KIAFRN Cc1cc(C2(c3cc(C)c(OC[C@H](O)CN4CCOCC4)c(C)c3)CCCCC2)cc(C)c1OC[C@H](O)CN1CCOCC1 ZINC000064527612 562707019 /nfs/dbraw/zinc/70/70/19/562707019.db2.gz GSSOIDGIRRZGHR-CZNDPXEESA-N 0 0 610.836 4.314 1 0 KIAFRN Cc1cc(C2(c3cc(C)c(OC[C@@H](O)CN4CCOCC4)c(C)c3)CCCCC2)cc(C)c1OC[C@H](O)CN1CCOCC1 ZINC000064527614 562707054 /nfs/dbraw/zinc/70/70/54/562707054.db2.gz GSSOIDGIRRZGHR-CZFRINIUSA-N 0 0 610.836 4.314 1 0 KIAFRN Cc1cc(C2(c3cc(C)c(OC[C@@H](O)CN4CCOCC4)c(C)c3)CCCCC2)cc(C)c1OC[C@@H](O)CN1CCOCC1 ZINC000064527615 562707106 /nfs/dbraw/zinc/70/71/06/562707106.db2.gz GSSOIDGIRRZGHR-LQJZCPKCSA-N 0 0 610.836 4.314 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000064528113 562707246 /nfs/dbraw/zinc/70/72/46/562707246.db2.gz ARGUSFNTCHQTAD-UIOOFZCWSA-N 0 0 518.658 4.344 1 0 KIAFRN COc1cc(C(=O)c2cnc(-c3cc(OC)c(OC)c(OC)c3)n2S(=O)(=O)c2ccccc2)cc(OC)c1OC ZINC000064528281 562707326 /nfs/dbraw/zinc/70/73/26/562707326.db2.gz UZHQMGNXRNLDRH-UHFFFAOYSA-N 0 0 568.604 4.070 1 0 KIAFRN Cc1ccc(F)cc1Oc1c(C(=O)N2CC[NH2+]CC2)c2ccc(OCC(=O)[O-])cc2n1-c1ccccc1 ZINC000064528318 562707324 /nfs/dbraw/zinc/70/73/24/562707324.db2.gz INFCUHACNXFUGN-UHFFFAOYSA-N 0 0 503.530 4.379 1 0 KIAFRN O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cc1Cl ZINC000064528523 562707371 /nfs/dbraw/zinc/70/73/71/562707371.db2.gz MPOGLMKBTKSIMW-UHFFFAOYSA-N 0 0 504.395 4.178 1 0 KIAFRN Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CCc3ccc(O)cc3)n2N)cc1 ZINC000064531990 562707399 /nfs/dbraw/zinc/70/73/99/562707399.db2.gz YXENTPXWBSNHOH-QFIPXVFZSA-N 0 0 518.668 4.323 1 0 KIAFRN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CCc3ccc(O)cc3)n2N)cc1 ZINC000064531993 562707410 /nfs/dbraw/zinc/70/74/10/562707410.db2.gz YXENTPXWBSNHOH-JOCHJYFZSA-N 0 0 518.668 4.323 1 0 KIAFRN Nn1c(CCc2ccc(O)cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000064532303 562707464 /nfs/dbraw/zinc/70/74/64/562707464.db2.gz FPZYECCAMBRJJL-NRFANRHFSA-N 0 0 504.641 4.014 1 0 KIAFRN Nn1c(CCc2ccc(O)cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000064532304 562707439 /nfs/dbraw/zinc/70/74/39/562707439.db2.gz FPZYECCAMBRJJL-OAQYLSRUSA-N 0 0 504.641 4.014 1 0 KIAFRN Nn1c(CCc2ccc(O)cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000064532306 562707446 /nfs/dbraw/zinc/70/74/46/562707446.db2.gz WNCHPKLOVLOUFP-NRFANRHFSA-N 0 0 522.631 4.153 1 0 KIAFRN Nn1c(CCc2ccc(O)cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 ZINC000064532308 562707443 /nfs/dbraw/zinc/70/74/43/562707443.db2.gz WNCHPKLOVLOUFP-OAQYLSRUSA-N 0 0 522.631 4.153 1 0 KIAFRN COc1ccc(-c2ncc(C(=O)c3cc(OC)c(OC)c(OC)c3)n2S(=O)(=O)c2ccccc2)cc1OC ZINC000064539315 562707540 /nfs/dbraw/zinc/70/75/40/562707540.db2.gz HOLJRBSWXFOEIW-UHFFFAOYSA-N 0 0 538.578 4.061 1 0 KIAFRN O=C([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064539537 562707551 /nfs/dbraw/zinc/70/75/51/562707551.db2.gz QBWZADRKADTWEZ-NRFANRHFSA-N 0 0 504.612 4.055 1 0 KIAFRN O=C([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000064539540 562707556 /nfs/dbraw/zinc/70/75/56/562707556.db2.gz QBWZADRKADTWEZ-OAQYLSRUSA-N 0 0 504.612 4.055 1 0 KIAFRN CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1-c1ccc(N)cc1 ZINC000064539771 562707605 /nfs/dbraw/zinc/70/76/05/562707605.db2.gz MHXFCHRVPMHKBV-UHFFFAOYSA-N 0 0 514.582 4.441 1 0 KIAFRN CSCC[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064539925 562707599 /nfs/dbraw/zinc/70/75/99/562707599.db2.gz FKFJNSWVDCFIQS-UNMCSNQZSA-N 0 0 573.119 4.129 1 0 KIAFRN CSCC[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064539926 562707606 /nfs/dbraw/zinc/70/76/06/562707606.db2.gz FKFJNSWVDCFIQS-RBBKRZOGSA-N 0 0 573.119 4.129 1 0 KIAFRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000064540195 562707672 /nfs/dbraw/zinc/70/76/72/562707672.db2.gz VJPCTCPHUIBJIV-JWQCQUIFSA-N 0 0 575.691 4.163 1 0 KIAFRN O=C(CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000064540268 562707691 /nfs/dbraw/zinc/70/76/91/562707691.db2.gz IISDKYBBFRZKEK-AHWVRZQESA-N 0 0 605.095 4.324 1 0 KIAFRN O=C(CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 ZINC000064540269 562707698 /nfs/dbraw/zinc/70/76/98/562707698.db2.gz IISDKYBBFRZKEK-AZGAKELHSA-N 0 0 605.095 4.324 1 0 KIAFRN CS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 ZINC000064540622 562707784 /nfs/dbraw/zinc/70/77/84/562707784.db2.gz MFPJICKVUSICOY-NSOVKSMOSA-N 0 0 600.697 4.079 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064540731 562707768 /nfs/dbraw/zinc/70/77/68/562707768.db2.gz BSLHUHOGALWTHZ-TZYHBYERSA-N 0 0 555.079 4.422 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064540734 562707749 /nfs/dbraw/zinc/70/77/49/562707749.db2.gz BSLHUHOGALWTHZ-NMNUPHIUSA-N 0 0 555.079 4.422 1 0 KIAFRN CC(C)C[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064548765 562707895 /nfs/dbraw/zinc/70/78/95/562707895.db2.gz MZHBDIVJLZGWKI-GMAHTHKFSA-N 0 0 555.079 4.422 1 0 KIAFRN CC(C)C[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064548766 562707919 /nfs/dbraw/zinc/70/79/19/562707919.db2.gz MZHBDIVJLZGWKI-JTHBVZDNSA-N 0 0 555.079 4.422 1 0 KIAFRN CC(C)[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064548922 562707971 /nfs/dbraw/zinc/70/79/71/562707971.db2.gz ZGMAPDDSLQCAOZ-VXKWHMMOSA-N 0 0 541.052 4.032 1 0 KIAFRN CC(C)[C@H](NC(=O)CN(c1nc(Cl)nc2c1ncn2[C@H]1CCCCO1)C1CC1)C(=O)OCc1ccccc1 ZINC000064548923 562707956 /nfs/dbraw/zinc/70/79/56/562707956.db2.gz 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556.070 4.098 1 0 KIAFRN CCNC(=O)Nc1sc2cc(C)ccc2c1C(=O)N1CCN(C2CCN(C(=O)C(C)(C)CF)CC2)CC1 ZINC000066074472 562709806 /nfs/dbraw/zinc/70/98/06/562709806.db2.gz XIDJYILXOPDNER-UHFFFAOYSA-N 0 0 531.698 4.096 1 0 KIAFRN CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000066074774 562709921 /nfs/dbraw/zinc/70/99/21/562709921.db2.gz VPAWMSUGIJLXJR-UHFFFAOYSA-N 0 0 525.719 4.372 1 0 KIAFRN Cc1ccc(C)c(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)c1 ZINC000066074978 562709956 /nfs/dbraw/zinc/70/99/56/562709956.db2.gz NYJKRUFCTNREQN-LVXARBLLSA-N 0 0 520.671 4.007 1 0 KIAFRN Cc1cc2c(cnn2-c2ccc(N[C@H](C)C(N)=O)cc2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066075425 562709983 /nfs/dbraw/zinc/70/99/83/562709983.db2.gz OEDUVHUTSHJFTC-FCHUYYIVSA-N 0 0 548.713 4.324 1 0 KIAFRN Cc1cc2c(cnn2-c2ccc(N[C@@H](C)C(N)=O)cc2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066075428 562710002 /nfs/dbraw/zinc/71/00/02/562710002.db2.gz OEDUVHUTSHJFTC-VXKWHMMOSA-N 0 0 548.713 4.324 1 0 KIAFRN CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCN(C2CCN(C(=O)OC3CCCC3)CC2)CC1 ZINC000066075488 562710012 /nfs/dbraw/zinc/71/00/12/562710012.db2.gz CWHJHZIRUWAEBE-UHFFFAOYSA-N 0 0 527.691 4.344 1 0 KIAFRN Cc1cc2c(cnn2-c2cccc(N[C@H](C)C(N)=O)c2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066075685 562710050 /nfs/dbraw/zinc/71/00/50/562710050.db2.gz FGSUIHRSUADICM-FCHUYYIVSA-N 0 0 548.713 4.324 1 0 KIAFRN Cc1cc2c(cnn2-c2cccc(N[C@@H](C)C(N)=O)c2)c(NC[C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000066075688 562710060 /nfs/dbraw/zinc/71/00/60/562710060.db2.gz FGSUIHRSUADICM-VXKWHMMOSA-N 0 0 548.713 4.324 1 0 KIAFRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@H]([C@H]5CO[C@](O)(C(C)(C)O)[C@H](O)C5)[C@]4(C)CC[C@@H]32)C1(C)C ZINC000066075831 562710067 /nfs/dbraw/zinc/71/00/67/562710067.db2.gz JDKVVJZONYEUFM-MORBJWPESA-N 0 0 548.761 4.351 1 0 KIAFRN O=C([O-])c1ccc(CN(C[C@@H]2C[C@@H](F)C[NH2+]2)C(=O)c2ccc(-c3cnc4ccc(NCC5CC5)nn43)cc2)cc1 ZINC000066076876 562710232 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/nfs/dbraw/zinc/71/44/09/562714409.db2.gz DIGZKFWCWKUINH-OAQYLSRUSA-N 0 0 501.505 4.346 1 0 KIAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCC(CO)CC1 ZINC000066251142 562714388 /nfs/dbraw/zinc/71/43/88/562714388.db2.gz KBFAQBCAYHIAKV-UHFFFAOYSA-N 0 0 572.750 4.246 1 0 KIAFRN CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)n2)cc1 ZINC000066251171 562714454 /nfs/dbraw/zinc/71/44/54/562714454.db2.gz SSWZVBDKPXOVLR-UHFFFAOYSA-N 0 0 583.552 4.333 1 0 KIAFRN COc1ccc(-c2cnc3nc(N)nc(N4CCN(Cc5c(Cl)cccc5Cl)CC4)c3n2)cc1OC ZINC000066251295 562714442 /nfs/dbraw/zinc/71/44/42/562714442.db2.gz WUWGOPGWEOSODD-UHFFFAOYSA-N 0 0 526.428 4.315 1 0 KIAFRN COC(=O)c1coc(CN2CCN(C(=O)C[C@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000066251311 562714457 /nfs/dbraw/zinc/71/44/57/562714457.db2.gz HJROKBCQCPEPDY-NRFANRHFSA-N 0 0 519.495 4.486 1 0 KIAFRN COC(=O)c1coc(CN2CCN(C(=O)C[C@@H](c3ccc(F)cc3)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000066251312 562714441 /nfs/dbraw/zinc/71/44/41/562714441.db2.gz HJROKBCQCPEPDY-OAQYLSRUSA-N 0 0 519.495 4.486 1 0 KIAFRN COC(=O)c1coc(CN2CCN(C(=O)C[C@@H](c3ccc(C(F)(F)F)cc3)c3cccc(F)c3)CC2)n1 ZINC000066251313 562714467 /nfs/dbraw/zinc/71/44/67/562714467.db2.gz SSTOLAAOYULZSO-NRFANRHFSA-N 0 0 519.495 4.486 1 0 KIAFRN COC(=O)c1coc(CN2CCN(C(=O)C[C@H](c3ccc(C(F)(F)F)cc3)c3cccc(F)c3)CC2)n1 ZINC000066251314 562714508 /nfs/dbraw/zinc/71/45/08/562714508.db2.gz SSTOLAAOYULZSO-OAQYLSRUSA-N 0 0 519.495 4.486 1 0 KIAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCCC[C@@H]1CO ZINC000066251345 562714472 /nfs/dbraw/zinc/71/44/72/562714472.db2.gz ZBJZDYNCFKMMLO-SSEXGKCCSA-N 0 0 572.750 4.389 1 0 KIAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCCC[C@H]1CO ZINC000066251346 562714462 /nfs/dbraw/zinc/71/44/62/562714462.db2.gz ZBJZDYNCFKMMLO-PMERELPUSA-N 0 0 572.750 4.389 1 0 KIAFRN COc1cc(CN2C(=O)[C@@H]3CS[C@@]4(c5cc(C)ccc5N(C(=O)c5ccc(C)cc5)C4=O)N3C2=O)cc(OC)c1OC ZINC000066251493 562714466 /nfs/dbraw/zinc/71/44/66/562714466.db2.gz XMXOVXYEWAWFCT-GTYOFVGBSA-N 0 0 587.654 4.249 1 0 KIAFRN COC(=O)CCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066251594 562714524 /nfs/dbraw/zinc/71/45/24/562714524.db2.gz SHYNHKGSYIJWDP-UHFFFAOYSA-N 0 0 574.722 4.085 1 0 KIAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)OCCCN3C(=O)CN2CCCC2)ncc1Cl ZINC000066251669 562714546 /nfs/dbraw/zinc/71/45/46/562714546.db2.gz SSAJMZMXAVVRKS-UHFFFAOYSA-N 0 0 554.026 4.327 1 0 KIAFRN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCC[C@@H]2CCO)CN3c2ccccc2)cc1 ZINC000066251764 562714519 /nfs/dbraw/zinc/71/45/19/562714519.db2.gz VDVTVMBTQOMIOH-HHHXNRCGSA-N 0 0 560.739 4.029 1 0 KIAFRN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCCC[C@H]2CCO)CN3c2ccccc2)cc1 ZINC000066251765 562714548 /nfs/dbraw/zinc/71/45/48/562714548.db2.gz VDVTVMBTQOMIOH-MHZLTWQESA-N 0 0 560.739 4.029 1 0 KIAFRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251955 562714609 /nfs/dbraw/zinc/71/46/09/562714609.db2.gz LLDGVRXISQBZHU-RZRVZGFNSA-N 0 0 562.596 4.057 1 0 KIAFRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066251956 562714626 /nfs/dbraw/zinc/71/46/26/562714626.db2.gz LLDGVRXISQBZHU-SHZPJRIYSA-N 0 0 562.596 4.057 1 0 KIAFRN COc1ccc(/C=C/C(=O)NCCOCCOC(=O)/C=C/C(=O)n2cc(C(=O)Nc3ccccc3)c3ccccc32)cc1OC ZINC000066252091 562714643 /nfs/dbraw/zinc/71/46/43/562714643.db2.gz WEKBGQGNMKKGIK-TZSXFDEBSA-N 0 0 611.651 4.497 1 0 KIAFRN CC(C)(C)OC(=O)NCCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)C1=O ZINC000066252127 562714695 /nfs/dbraw/zinc/71/46/95/562714695.db2.gz LOZWVJISMLUCQZ-UHFFFAOYSA-N 0 0 605.780 4.296 1 0 KIAFRN CCOC(=O)C1CCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)CC1 ZINC000066252170 562714669 /nfs/dbraw/zinc/71/46/69/562714669.db2.gz LSNSLZPUVBSBPP-UHFFFAOYSA-N 0 0 588.749 4.067 1 0 KIAFRN Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1 ZINC000066252387 562714740 /nfs/dbraw/zinc/71/47/40/562714740.db2.gz CAEPFCXVYUBGAO-JBYXOPKCSA-N 0 0 558.633 4.227 1 0 KIAFRN Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)cc2)cc1 ZINC000066252388 562714744 /nfs/dbraw/zinc/71/47/44/562714744.db2.gz CAEPFCXVYUBGAO-IZAYSLALSA-N 0 0 558.633 4.227 1 0 KIAFRN O=C(c1ccccc1)N1c2ccccc2[C@@]2(SC[C@H]3C(=O)N(Cc4ccc(Cl)cc4)C(=O)N32)C1=O ZINC000066252716 562714809 /nfs/dbraw/zinc/71/48/09/562714809.db2.gz SFIHLCHLXOGMOK-HFZDXXHNSA-N 0 0 503.967 4.260 1 0 KIAFRN CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CCN(C(=O)c4ccccc4)CC2)CN3c2ccccc2)cc1 ZINC000066252802 562714891 /nfs/dbraw/zinc/71/48/91/562714891.db2.gz UCSNFFYJQUMDFU-UHFFFAOYSA-N 0 0 621.782 4.250 1 0 KIAFRN COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccc(N3CCOCC3)cc2OC)n1 ZINC000066252804 562714832 /nfs/dbraw/zinc/71/48/32/562714832.db2.gz DNVHYSBDUBOLFU-UHFFFAOYSA-N 0 0 527.025 4.308 1 0 KIAFRN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066252814 562714963 /nfs/dbraw/zinc/71/49/63/562714963.db2.gz IOJQPFQCMKZUHJ-TYONGCAVSA-N 0 0 562.596 4.057 1 0 KIAFRN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066252815 562714965 /nfs/dbraw/zinc/71/49/65/562714965.db2.gz IOJQPFQCMKZUHJ-SMAAHIPSSA-N 0 0 562.596 4.057 1 0 KIAFRN CC(C)(C)OC(=O)N1CCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)CC1 ZINC000066258377 562714922 /nfs/dbraw/zinc/71/49/22/562714922.db2.gz YUAYIXDOZFBVPT-UHFFFAOYSA-N 0 0 617.791 4.345 1 0 KIAFRN CC(=O)N1CCN(CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)CC1 ZINC000066258411 562714941 /nfs/dbraw/zinc/71/49/41/562714941.db2.gz JAKVUYBKNKMGIV-UHFFFAOYSA-N 0 0 610.740 4.059 1 0 KIAFRN O=C(/C=C/c1ccccc1F)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258499 562715029 /nfs/dbraw/zinc/71/50/29/562715029.db2.gz QQMQPGBVAFMONW-RXJWUWLLSA-N 0 0 580.586 4.196 1 0 KIAFRN O=C(/C=C/c1ccccc1F)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258500 562715012 /nfs/dbraw/zinc/71/50/12/562715012.db2.gz QQMQPGBVAFMONW-PJCMVOJSSA-N 0 0 580.586 4.196 1 0 KIAFRN O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258501 562715027 /nfs/dbraw/zinc/71/50/27/562715027.db2.gz YUVFAAGHQTZJQV-UZGAGFRRSA-N 0 0 580.586 4.196 1 0 KIAFRN O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258502 562714991 /nfs/dbraw/zinc/71/49/91/562714991.db2.gz YUVFAAGHQTZJQV-OBBFJSJASA-N 0 0 580.586 4.196 1 0 KIAFRN COC(=O)N1CCC(n2nc(-c3ccnc(NC4CCOCC4)c3)n(-c3ccc4ccccc4c3)c2=O)CC1 ZINC000066258682 562715088 /nfs/dbraw/zinc/71/50/88/562715088.db2.gz QKJMPSJTHLLZPU-UHFFFAOYSA-N 0 0 528.613 4.243 1 0 KIAFRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258753 562715043 /nfs/dbraw/zinc/71/50/43/562715043.db2.gz BUXXGJGKGQFQFC-RLDRVVDPSA-N 0 0 580.586 4.196 1 0 KIAFRN O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000066258754 562715057 /nfs/dbraw/zinc/71/50/57/562715057.db2.gz BUXXGJGKGQFQFC-ZKBJDZFASA-N 0 0 580.586 4.196 1 0 KIAFRN COc1ccc(-c2cnc3nc(N)nc(N4CCN(c5cc(Cl)cc(Cl)c5)CC4)c3n2)cc1OC ZINC000066258903 562715127 /nfs/dbraw/zinc/71/51/27/562715127.db2.gz UVCZWTPJHPYOSD-UHFFFAOYSA-N 0 0 512.401 4.320 1 0 KIAFRN Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000066258971 562715121 /nfs/dbraw/zinc/71/51/21/562715121.db2.gz MYUWJVVVMYPLFF-FZCLKQLMSA-N 0 0 576.623 4.366 1 0 KIAFRN Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1 ZINC000066258972 562715123 /nfs/dbraw/zinc/71/51/23/562715123.db2.gz MYUWJVVVMYPLFF-NKJFVREDSA-N 0 0 576.623 4.366 1 0 KIAFRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1OC ZINC000066258973 562715134 /nfs/dbraw/zinc/71/51/34/562715134.db2.gz LNHYLDCIGKMXHR-KZWMBQABSA-N 0 0 622.648 4.075 1 0 KIAFRN COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)cc1OC ZINC000066258974 562715117 /nfs/dbraw/zinc/71/51/17/562715117.db2.gz LNHYLDCIGKMXHR-FCUOVPDASA-N 0 0 622.648 4.075 1 0 KIAFRN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000066258975 562715105 /nfs/dbraw/zinc/71/51/05/562715105.db2.gz HJZGLASODDGPMW-VKBGDVHCSA-N 0 0 622.648 4.075 1 0 KIAFRN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(N3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(F)c2)c1 ZINC000066258976 562715185 /nfs/dbraw/zinc/71/51/85/562715185.db2.gz HJZGLASODDGPMW-ABAACIJESA-N 0 0 622.648 4.075 1 0 KIAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCC[C@H](CO)C1 ZINC000066259052 562715177 /nfs/dbraw/zinc/71/51/77/562715177.db2.gz CUSHHBIKZVTWSI-SANMLTNESA-N 0 0 572.750 4.246 1 0 KIAFRN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CCC[C@@H](CO)C1 ZINC000066259053 562715176 /nfs/dbraw/zinc/71/51/76/562715176.db2.gz CUSHHBIKZVTWSI-AREMUKBSSA-N 0 0 572.750 4.246 1 0 KIAFRN O=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 ZINC000066259345 562715235 /nfs/dbraw/zinc/71/52/35/562715235.db2.gz DRXYZFWAAVIUQZ-DEOSSOPVSA-N 0 0 574.575 4.171 1 0 KIAFRN O=C(C[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(C(=O)N3CCOCC3)co2)CC1 ZINC000066259346 562715267 /nfs/dbraw/zinc/71/52/67/562715267.db2.gz DRXYZFWAAVIUQZ-XMMPIXPASA-N 0 0 574.575 4.171 1 0 KIAFRN CCOC(=O)[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066259426 562715260 /nfs/dbraw/zinc/71/52/60/562715260.db2.gz UOSZUYQZZPFRAK-AREMUKBSSA-N 0 0 588.749 4.067 1 0 KIAFRN CCOC(=O)[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066259427 562715236 /nfs/dbraw/zinc/71/52/36/562715236.db2.gz UOSZUYQZZPFRAK-SANMLTNESA-N 0 0 588.749 4.067 1 0 KIAFRN CC(C)NC(=O)CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)CC1 ZINC000066259474 562715262 /nfs/dbraw/zinc/71/52/62/562715262.db2.gz GEBFPAGOLJCJBP-UHFFFAOYSA-N 0 0 636.753 4.012 1 0 KIAFRN OCCN1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066259553 562715294 /nfs/dbraw/zinc/71/52/94/562715294.db2.gz DGBYTQSMHNWONG-UHFFFAOYSA-N 0 0 581.565 4.372 1 0 KIAFRN CC[C@]1(OC(=O)NCCN2C(=O)CCCCCCCCC2=O)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3 ZINC000066259559 562715282 /nfs/dbraw/zinc/71/52/82/562715282.db2.gz CDPXFYDYGGKSMB-XIFFEERXSA-N 0 0 600.672 4.303 1 0 KIAFRN CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066259627 562715310 /nfs/dbraw/zinc/71/53/10/562715310.db2.gz LTYDHRYFRLILRV-MUUNZHRXSA-N 0 0 615.819 4.372 1 0 KIAFRN CCN(CC)C(=O)[C@H]1CCCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)C2=O)C1 ZINC000066259628 562715297 /nfs/dbraw/zinc/71/52/97/562715297.db2.gz LTYDHRYFRLILRV-NDEPHWFRSA-N 0 0 615.819 4.372 1 0 KIAFRN O=C(CCN1CCOCC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066259720 562715343 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GHJZHZRUCWCDCY-BFXDSYMESA-N 0 0 562.596 4.057 1 0 KIAFRN O=C(/C=C/c1ccccc1F)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263754 562715527 /nfs/dbraw/zinc/71/55/27/562715527.db2.gz GHJZHZRUCWCDCY-PVGYFADJSA-N 0 0 562.596 4.057 1 0 KIAFRN O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263756 562715558 /nfs/dbraw/zinc/71/55/58/562715558.db2.gz UWNHDUZXFUBNKE-FSIVXCNASA-N 0 0 562.596 4.057 1 0 KIAFRN O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066263759 562715530 /nfs/dbraw/zinc/71/55/30/562715530.db2.gz UWNHDUZXFUBNKE-AAFXAJRRSA-N 0 0 562.596 4.057 1 0 KIAFRN COCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)CC1 ZINC000066263786 562715581 /nfs/dbraw/zinc/71/55/81/562715581.db2.gz XGSQBEJHNKMRMT-UHFFFAOYSA-N 0 0 595.700 4.134 1 0 KIAFRN C[C@@H]1CN(CC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3oc4ccccc4c32)C[C@H](C)O1 ZINC000066263936 562715597 /nfs/dbraw/zinc/71/55/97/562715597.db2.gz QHSWCFCVQXAFAJ-OYRHEFFESA-N 0 0 567.646 4.145 1 0 KIAFRN CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)CC1 ZINC000066263984 562715611 /nfs/dbraw/zinc/71/56/11/562715611.db2.gz ILTYKXNFGFMORV-UHFFFAOYSA-N 0 0 551.647 4.117 1 0 KIAFRN CC(C)OC(=O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000066331653 562715606 /nfs/dbraw/zinc/71/56/06/562715606.db2.gz MKPLKVHSHYCHOC-RXXVAVRNSA-N 0 0 500.554 4.427 1 0 KIAFRN COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN(C)C)c[nH]3)c3nccnc23)c1Cl ZINC000068152933 562715827 /nfs/dbraw/zinc/71/58/27/562715827.db2.gz DUDZKNJTOKKCTO-UHFFFAOYSA-N 0 0 501.374 4.080 1 0 KIAFRN CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OCC(Cl)(Cl)Cl)CC2)cc1 ZINC000068153261 562715892 /nfs/dbraw/zinc/71/58/92/562715892.db2.gz LNCNMZWIWLWBEP-UHFFFAOYSA-N 0 0 548.836 4.166 1 0 KIAFRN CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccccc3[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000068196628 562715881 /nfs/dbraw/zinc/71/58/81/562715881.db2.gz VIZAVJRLNLXOKV-FQEVSTJZSA-N 0 0 505.493 4.018 1 0 KIAFRN CC(C)(C)OC(=O)N1CC(N2C(=O)c3ccccc3[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000068196629 562715906 /nfs/dbraw/zinc/71/59/06/562715906.db2.gz VIZAVJRLNLXOKV-HXUWFJFHSA-N 0 0 505.493 4.018 1 0 KIAFRN Cn1cc(-c2cccc(N3CCc4cc(C5(F)CC5)ccc4C3=O)c2CO)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1=O ZINC000068196844 562715868 /nfs/dbraw/zinc/71/58/68/562715868.db2.gz OAFXXYQSANGZOX-UHFFFAOYSA-N 0 0 623.685 4.317 1 0 KIAFRN Cn1cc(-c2cccc(N3CCc4cc(C5CC5)ccc4C3=O)c2CO)nc(Nc2ccc(C(=O)N3CCC(O)CC3)cc2)c1=O ZINC000068196847 562715880 /nfs/dbraw/zinc/71/58/80/562715880.db2.gz GTPYGXGGWQRPFC-UHFFFAOYSA-N 0 0 619.722 4.360 1 0 KIAFRN CN(C)C(=O)c1ccc(Nc2nc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)cn(C)c2=O)cc1 ZINC000068196852 562715901 /nfs/dbraw/zinc/71/59/01/562715901.db2.gz YOWLNRDQLRXXQR-UHFFFAOYSA-N 0 0 563.658 4.465 1 0 KIAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12 ZINC000068198104 562715890 /nfs/dbraw/zinc/71/58/90/562715890.db2.gz PPPXNVCXWVGILA-UHFFFAOYSA-N 0 0 537.550 4.077 1 0 KIAFRN Cc1nc2ccc(C(F)(F)F)cc2nc1/C=C/c1nc(N[C@@H]2CCS(=O)(=O)C2)cc(N2CCCC2)n1 ZINC000068199172 562715937 /nfs/dbraw/zinc/71/59/37/562715937.db2.gz OWGBAXYFKOACPT-DKRLNXSXSA-N 0 0 518.565 4.117 1 0 KIAFRN CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@]2(C3)c3cccnc3NC2=O)C(=O)C12CCCC2 ZINC000068199910 562715953 /nfs/dbraw/zinc/71/59/53/562715953.db2.gz WYWHBLFVASSGIJ-AJQTZOPKSA-N 0 0 585.655 4.289 1 0 KIAFRN Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cc(F)cn3)n1)CN(C(=O)NC13CC(C1)C3)C2 ZINC000068201314 562715931 /nfs/dbraw/zinc/71/59/31/562715931.db2.gz BSEKUYBWBVHFAK-UHFFFAOYSA-N 0 0 518.380 4.025 1 0 KIAFRN Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cc(F)cn3)n1)CN(C(=O)NCC(F)(F)F)C2 ZINC000068201323 562715956 /nfs/dbraw/zinc/71/59/56/562715956.db2.gz LEXXECNYBXJPMG-UHFFFAOYSA-N 0 0 534.301 4.035 1 0 KIAFRN CC(F)(F)CNC(=O)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)cc3OCCn3cc(F)cn3)c2C1 ZINC000068201327 562715960 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CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000068246130 562716158 /nfs/dbraw/zinc/71/61/58/562716158.db2.gz BGBRPPONHQFLEX-RNWIMVQKSA-N 0 0 553.602 4.218 1 0 KIAFRN O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(I)c(I)nc2C1 ZINC000068247210 562716191 /nfs/dbraw/zinc/71/61/91/562716191.db2.gz NRJANNPXYFUJEA-UHFFFAOYSA-N 0 0 581.501 4.421 1 0 KIAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)s1 ZINC000068248205 562716253 /nfs/dbraw/zinc/71/62/53/562716253.db2.gz GSJKYQXTTLLNLR-CYBMUJFWSA-N 0 0 513.982 4.423 1 0 KIAFRN COc1cncc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4nc(Cl)c5ccccc54)cc3F)CC2)c1 ZINC000068248206 562716222 /nfs/dbraw/zinc/71/62/22/562716222.db2.gz PYEFWVDPBPWRNL-OAHLLOKOSA-N 0 0 507.953 4.361 1 0 KIAFRN CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](CC[C@]3(C)[C@@H](c4ccoc4)OC(=O)[C@@H](C)[C@]23C)[C@@]23COC(=O)C[C@H]2OC(C)(C)[C@@H]13 ZINC000070454189 560048493 /nfs/dbraw/zinc/04/84/93/560048493.db2.gz FSKJPUQWULKKGE-SCVOLESCSA-N 0 0 542.625 4.184 1 0 biogenic,in-vitro KIAFRN CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](CC[C@]3(C)[C@@H](c4ccoc4)OC(=O)[C@@H](C)[C@]23C)[C@@]23COC(=O)C[C@H]2OC(C)(C)[C@@H]13 ZINC000070454190 291827588 /nfs/dbraw/zinc/82/75/88/291827588.db2.gz FSKJPUQWULKKGE-ASSQFVOPSA-N 0 0 542.625 4.184 1 0 biogenic,in-vitro KIAFRN CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000070454701 291834482 /nfs/dbraw/zinc/83/44/82/291834482.db2.gz GVFKEVFAPIUOAI-CBMKCQLQSA-N 0 0 568.718 4.096 1 0 biogenic,in-vitro KIAFRN CC(=O)O[C@@H]1C(=O)C(C)(C)CC=C(C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O ZINC000070455076 560047751 /nfs/dbraw/zinc/04/77/51/560047751.db2.gz KTYYUKJLUJGKMG-JFGBKWHQSA-N 0 0 596.673 4.350 1 0 biogenic,in-vitro KIAFRN COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000070455517 560047157 /nfs/dbraw/zinc/04/71/57/560047157.db2.gz ISCJOZQAUKSCCU-YSCGSIFPSA-N 0 0 530.702 4.364 1 0 biogenic,in-vitro KIAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3cc(F)cc(F)c23)no1 ZINC000070461163 562716356 /nfs/dbraw/zinc/71/63/56/562716356.db2.gz QKZGUODGYRLJMW-UHFFFAOYSA-N 0 0 524.343 4.439 1 0 KIAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3)c3cc(F)cc(F)c23)no1 ZINC000070461164 562716353 /nfs/dbraw/zinc/71/63/53/562716353.db2.gz LGRJKOKKWLFIHT-UHFFFAOYSA-N 0 0 511.510 4.067 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000070631610 562716471 /nfs/dbraw/zinc/71/64/71/562716471.db2.gz SUPRDXRBKFNKHZ-DSOCELCXSA-N 0 0 619.089 4.355 1 0 KIAFRN CC(=O)N[C@H]1Cc2c3ccccc3[nH]c2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000071280535 562716570 /nfs/dbraw/zinc/71/65/70/562716570.db2.gz CEDNIAXQNLUJQO-NRFANRHFSA-N 0 0 554.491 4.254 1 0 KIAFRN C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000071294422 562716852 /nfs/dbraw/zinc/71/68/52/562716852.db2.gz VIYHEKHUQRMKKC-FVAZFNNHSA-N 0 0 505.703 4.282 1 0 KIAFRN CCCCCCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1 ZINC000071294794 562716990 /nfs/dbraw/zinc/71/69/90/562716990.db2.gz GPLLOVYREUOHFC-ULBKPHCJSA-N 0 0 535.597 4.377 1 0 KIAFRN CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc(C)cc1 ZINC000071294797 562716996 /nfs/dbraw/zinc/71/69/96/562716996.db2.gz RTQGIFUREOZIFV-PMERELPUSA-N 0 0 510.546 4.018 1 0 KIAFRN CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1ccc(C)cc1 ZINC000071294798 562716976 /nfs/dbraw/zinc/71/69/76/562716976.db2.gz RTQGIFUREOZIFV-SSEXGKCCSA-N 0 0 510.546 4.018 1 0 KIAFRN COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)nn3)c2c1 ZINC000071295003 562717069 /nfs/dbraw/zinc/71/70/69/562717069.db2.gz POUONLLEXHGNBQ-UHFFFAOYSA-N 0 0 511.413 4.397 1 0 KIAFRN CC[C@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2ccc(Cl)cc2)c1C3 ZINC000071295377 562717206 /nfs/dbraw/zinc/71/72/06/562717206.db2.gz RCLQOJKCVLAANU-LJAQVGFWSA-N 0 0 530.964 4.363 1 0 KIAFRN CC[C@@]1(O)CC(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OC)cc2c(C(=O)c2ccc(Cl)cc2)c1C3 ZINC000071295378 562717263 /nfs/dbraw/zinc/71/72/63/562717263.db2.gz RCLQOJKCVLAANU-GDLZYMKVSA-N 0 0 530.964 4.363 1 0 KIAFRN CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)C1CCCCC1 ZINC000071295425 562717245 /nfs/dbraw/zinc/71/72/45/562717245.db2.gz BHFJJOIZBOUPLA-LJAQVGFWSA-N 0 0 502.567 4.241 1 0 KIAFRN CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)C1CCCCC1 ZINC000071295426 562717246 /nfs/dbraw/zinc/71/72/46/562717246.db2.gz BHFJJOIZBOUPLA-GDLZYMKVSA-N 0 0 502.567 4.241 1 0 KIAFRN CCCCCc1cn([C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)nn1 ZINC000071295677 562717287 /nfs/dbraw/zinc/71/72/87/562717287.db2.gz PKYDWSNOPPOHAE-ULBKPHCJSA-N 0 0 535.597 4.289 1 0 KIAFRN CC(=O)N[C@@H]1Cc2c3ccccc3[nH]c2CN(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000071295694 562717302 /nfs/dbraw/zinc/71/73/02/562717302.db2.gz CEDNIAXQNLUJQO-OAQYLSRUSA-N 0 0 554.491 4.254 1 0 KIAFRN CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1cc(C)cc(C)c1 ZINC000071295752 562717303 /nfs/dbraw/zinc/71/73/03/562717303.db2.gz CBJMPCURQZARCX-HKBQPEDESA-N 0 0 524.573 4.326 1 0 KIAFRN CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C(=O)c1cc(C)cc(C)c1 ZINC000071295753 562717380 /nfs/dbraw/zinc/71/73/80/562717380.db2.gz CBJMPCURQZARCX-WJOKGBTCSA-N 0 0 524.573 4.326 1 0 KIAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3F)ccc2N(Cc2ccc(OCCF)cc2)C1=O ZINC000071296454 562717525 /nfs/dbraw/zinc/71/75/25/562717525.db2.gz YIJAKKNPGYYTDG-FQEVSTJZSA-N 0 0 574.577 4.275 1 0 KIAFRN COC(=O)CN1CCN([C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000071296815 562717583 /nfs/dbraw/zinc/71/75/83/562717583.db2.gz DUBSVRQGZQMIQO-SANMLTNESA-N 0 0 506.002 4.041 1 0 KIAFRN COC(=O)CN1CCN([C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000071296816 562717620 /nfs/dbraw/zinc/71/76/20/562717620.db2.gz DUBSVRQGZQMIQO-AREMUKBSSA-N 0 0 506.002 4.041 1 0 KIAFRN COC(=O)COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(NC(=O)c2nc3c(s2)CN(C)CC3)c1 ZINC000071296978 562717684 /nfs/dbraw/zinc/71/76/84/562717684.db2.gz XQJJODKQYCVHTE-UHFFFAOYSA-N 0 0 554.028 4.322 1 0 KIAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(N5CCOCC5)nc4)c3)c3ccccc23)no1 ZINC000071297082 562717704 /nfs/dbraw/zinc/71/77/04/562717704.db2.gz ADTBCJJKVRFWKL-UHFFFAOYSA-N 0 0 571.659 4.297 1 0 KIAFRN CC(C)NC(=O)CN1CCN([C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000071315909 562717747 /nfs/dbraw/zinc/71/77/47/562717747.db2.gz RWXKRCCZXMBUHJ-NDEPHWFRSA-N 0 0 533.072 4.393 1 0 KIAFRN CC(C)NC(=O)CN1CCN([C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000071315910 562717774 /nfs/dbraw/zinc/71/77/74/562717774.db2.gz RWXKRCCZXMBUHJ-MUUNZHRXSA-N 0 0 533.072 4.393 1 0 KIAFRN COC(=O)COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000071316007 562717791 /nfs/dbraw/zinc/71/77/91/562717791.db2.gz UFKKZODSBOIHBT-UHFFFAOYSA-N 0 0 554.028 4.322 1 0 KIAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000071316075 562717840 /nfs/dbraw/zinc/71/78/40/562717840.db2.gz PWVWOQYOKKPGKD-HHHXNRCGSA-N 0 0 558.100 4.116 1 0 KIAFRN Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NC1CC(F)(F)C1)C2 ZINC000071316124 562717827 /nfs/dbraw/zinc/71/78/27/562717827.db2.gz BXUPOUMTIMEFOP-UHFFFAOYSA-N 0 0 524.359 4.131 1 0 KIAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3F)c3ccccc23)no1 ZINC000071316125 562717848 /nfs/dbraw/zinc/71/78/48/562717848.db2.gz ZAYJUMVCFIGILN-UHFFFAOYSA-N 0 0 506.353 4.300 1 0 KIAFRN OC[C@H]1O[C@@H](CNc2nc(NCCc3ccccc3)nc3nc[nH]c32)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000071316321 562717888 /nfs/dbraw/zinc/71/78/88/562717888.db2.gz JKHRJIQUDUWQAX-UGWFNHDDSA-N 0 0 580.689 4.350 1 0 KIAFRN Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(OC3CCOCC3)cc(N3CCOCC3)c2)n1 ZINC000071316355 562717886 /nfs/dbraw/zinc/71/78/86/562717886.db2.gz JZUWYLAIKXLYOR-UHFFFAOYSA-N 0 0 505.619 4.183 1 0 KIAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)c(Br)c3)c3ccccc23)no1 ZINC000071316471 562717941 /nfs/dbraw/zinc/71/79/41/562717941.db2.gz KALRXNGWLCFACY-UHFFFAOYSA-N 0 0 506.353 4.300 1 0 KIAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Br)ccc3[nH]c2C(=O)NCCN2CCCC2)c1 ZINC000071316569 562718004 /nfs/dbraw/zinc/71/80/04/562718004.db2.gz UOCCGDIKJCMXJN-UHFFFAOYSA-N 0 0 504.450 4.206 1 0 KIAFRN CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C3)sc21 ZINC000071317421 562718193 /nfs/dbraw/zinc/71/81/93/562718193.db2.gz XOUCNJWVWYHRJZ-OAHLLOKOSA-N 0 0 570.615 4.346 1 0 KIAFRN Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3Br)c3ccccc23)no1 ZINC000071317464 562718281 /nfs/dbraw/zinc/71/82/81/562718281.db2.gz IKYPAQZBPKROPX-UHFFFAOYSA-N 0 0 506.353 4.300 1 0 KIAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCc2ccccc2Cl)cc1 ZINC000071317466 562718253 /nfs/dbraw/zinc/71/82/53/562718253.db2.gz HRZFHXJONYZNAP-HHHXNRCGSA-N 0 0 558.100 4.116 1 0 KIAFRN O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(I)(CC1)C2 ZINC000071317504 562718239 /nfs/dbraw/zinc/71/82/39/562718239.db2.gz XCAAFLOQJTXUJI-UHFFFAOYSA-N 0 0 546.453 4.080 1 0 KIAFRN O=C(/C=C/c1cn(CCC(CO)CO)c2ccccc12)NCCCCC1CCN(C(=O)c2ccccc2)CC1 ZINC000071317711 562718290 /nfs/dbraw/zinc/71/82/90/562718290.db2.gz ZYGRBIWUHAXXGO-BUHFOSPRSA-N 0 0 531.697 4.484 1 0 KIAFRN Cc1cnn(CCOc2cc(Cl)cc(Cl)c2-c2nc(N)nc3c2CN(C(=O)NC24CC(C2)C4)C3)c1 ZINC000071317951 562718382 /nfs/dbraw/zinc/71/83/82/562718382.db2.gz QVISOOUGIFPCMV-UHFFFAOYSA-N 0 0 514.417 4.194 1 0 KIAFRN CCOP(=O)(OCC)[C@@H]1[C@@H](C(=O)c2ccccc2O)[C@H](c2cc(OC)c(OC)c(OC)c2)ON1C ZINC000071318112 562718420 /nfs/dbraw/zinc/71/84/20/562718420.db2.gz XNYUKPRMKSJCQK-ODGPQVTHSA-N 0 0 509.492 4.427 1 0 KIAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc2N(Cc2ccc(OCCOCCF)cc2)C1=O ZINC000071318148 562718404 /nfs/dbraw/zinc/71/84/04/562718404.db2.gz SVBRVLOFXVNEPG-QHCPKHFHSA-N 0 0 582.650 4.013 1 0 KIAFRN COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCc2ccccc2)c(C)c1C ZINC000071318247 562718462 /nfs/dbraw/zinc/71/84/62/562718462.db2.gz KPOOBBWSUGUSOR-QHCPKHFHSA-N 0 0 501.048 4.480 1 0 KIAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000071318330 562718491 /nfs/dbraw/zinc/71/84/91/562718491.db2.gz JXPRZZBGLYETAB-HHHXNRCGSA-N 0 0 607.651 4.361 1 0 KIAFRN O=C(CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccco1)Cc1ccncc1 ZINC000071318499 562718495 /nfs/dbraw/zinc/71/84/95/562718495.db2.gz YLXAZKZWRUFTSA-UHFFFAOYSA-N 0 0 546.075 4.124 1 0 KIAFRN CCN(Cc1ccncc1Br)C(=O)CN1CCN(c2ccnc(NCCc3ccc(Cl)cc3)n2)CC1 ZINC000071318928 562718672 /nfs/dbraw/zinc/71/86/72/562718672.db2.gz MLTPNRWKWZEDMK-UHFFFAOYSA-N 0 0 572.939 4.113 1 0 KIAFRN CCc1ccc(S(=O)(=O)N2CCN(c3cc(OC)cc(OC)c3)C[C@@H]2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000071319009 562718690 /nfs/dbraw/zinc/71/86/90/562718690.db2.gz TYIZCFQWBLIJTL-JGCGQSQUSA-N 0 0 617.772 4.265 1 0 KIAFRN COc1cc(O)c2c(c1Br)C(=O)OCCCCC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000071319166 562718754 /nfs/dbraw/zinc/71/87/54/562718754.db2.gz FEQCEQWFNFXTRM-LBPRGKRZSA-N 0 0 516.439 4.087 1 0 KIAFRN OC[C@H]1O[C@@H](CNc2nc3nc[nH]c3c(NCCc3ccccc3)n2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000071319362 562718790 /nfs/dbraw/zinc/71/87/90/562718790.db2.gz ZVFKREZIKGQWCF-UGWFNHDDSA-N 0 0 580.689 4.350 1 0 KIAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCOCCOCCOCCO)CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000071329029 562718776 /nfs/dbraw/zinc/71/87/76/562718776.db2.gz BNQMZGCWSIUORS-YQIGCCJXSA-N 0 0 566.801 4.387 1 0 KIAFRN Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2C(F)(F)F)cn1 ZINC000071329161 562718809 /nfs/dbraw/zinc/71/88/09/562718809.db2.gz POQRXQWWFZULIY-UHFFFAOYSA-N 0 0 521.507 4.210 1 0 KIAFRN Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)C(C)C ZINC000071329244 562718812 /nfs/dbraw/zinc/71/88/12/562718812.db2.gz IIKUCLMTVMIFPY-UHFFFAOYSA-N 0 0 518.662 4.241 1 0 KIAFRN O=C(N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1)C12CCC(I)(CC1)CC2 ZINC000071329753 562718989 /nfs/dbraw/zinc/71/89/89/562718989.db2.gz CLKRZINIDXJKNI-UHFFFAOYSA-N 0 0 560.480 4.470 1 0 KIAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](SCCOCCOCCO)CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000071329837 562719033 /nfs/dbraw/zinc/71/90/33/562719033.db2.gz ILMVNRSEUCBQDZ-JEQXNLTJSA-N 0 0 522.748 4.371 1 0 KIAFRN O=C1c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc2N(Cc2ccc(OCCOCCOCCF)cc2)C1=O ZINC000071329940 562719007 /nfs/dbraw/zinc/71/90/07/562719007.db2.gz XBDITFWCQVJBBF-VWLOTQADSA-N 0 0 626.703 4.030 1 0 KIAFRN Cc1ccc([C@@H](C)O)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 ZINC000071329972 562719040 /nfs/dbraw/zinc/71/90/40/562719040.db2.gz BGDBURMJOLMENX-OAQYLSRUSA-N 0 0 504.635 4.023 1 0 KIAFRN Cc1ccc([C@H](C)O)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 ZINC000071329973 562719021 /nfs/dbraw/zinc/71/90/21/562719021.db2.gz BGDBURMJOLMENX-NRFANRHFSA-N 0 0 504.635 4.023 1 0 KIAFRN COc1ccccc1N1CCN(CCN(C(=O)C23CCC(I)(CC2)C3)c2ccccn2)CC1 ZINC000071330177 562719062 /nfs/dbraw/zinc/71/90/62/562719062.db2.gz PQKAMJJSVWUVDP-UHFFFAOYSA-N 0 0 560.480 4.383 1 0 KIAFRN NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2-c2ccccc2)cc1 ZINC000071330494 562719145 /nfs/dbraw/zinc/71/91/45/562719145.db2.gz SNQCXPUFKABVNR-UHFFFAOYSA-N 0 0 533.698 4.387 1 0 KIAFRN CCS(=O)(=O)CCO[C@]12CCCC[C@@]1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2 ZINC000071331073 562719226 /nfs/dbraw/zinc/71/92/26/562719226.db2.gz GOFJLNJYRYPKNP-XZOQPEGZSA-N 0 0 535.030 4.444 1 0 KIAFRN O=C(NCc1ccc(Cc2ccc(Cl)cc2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000071331765 562719295 /nfs/dbraw/zinc/71/92/95/562719295.db2.gz XLNMIZGBZLNWEW-WXFUMESZSA-N 0 0 533.477 4.347 1 0 KIAFRN CC(C)S(=O)(=O)CCO[C@@]12COc3c(F)ccc(F)c3[C@]1(S(=O)(=O)c1ccc(Cl)cc1)CCC(=O)C2 ZINC000071331831 562719314 /nfs/dbraw/zinc/71/93/14/562719314.db2.gz YNEIKSHPIBTNIX-BJKOFHAPSA-N 0 0 563.040 4.011 1 0 KIAFRN Cc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OC3CCCC3)CC2)cc1 ZINC000071332938 562719447 /nfs/dbraw/zinc/71/94/47/562719447.db2.gz WPNNYKRGXYVSRM-UHFFFAOYSA-N 0 0 543.089 4.168 1 0 KIAFRN CS(=O)(=O)CCO[C@]12CCCC[C@@]1(S(=O)(=O)c1ccc(Cl)cc1)c1c(F)ccc(F)c1OC2 ZINC000071333563 562719474 /nfs/dbraw/zinc/71/94/74/562719474.db2.gz PPSIOUHECAOADW-FCHUYYIVSA-N 0 0 521.003 4.054 1 0 KIAFRN CC(C)S(=O)(=O)CCO[C@@]12COc3c(F)ccc(F)c3[C@]1(S(=O)(=O)c1ccc(Cl)cc1)CCC1(C2)OCCO1 ZINC000071333623 562719485 /nfs/dbraw/zinc/71/94/85/562719485.db2.gz JMCBBABBDONXRB-AZGAKELHSA-N 0 0 607.093 4.185 1 0 KIAFRN O=C(NCc1ccccc1)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000071333653 562719484 /nfs/dbraw/zinc/71/94/84/562719484.db2.gz KIXDTNFSKFQAKH-RUZDIDTESA-N 0 0 526.058 4.130 1 0 KIAFRN O=C(NCc1ccc(Cc2cccc(Cl)c2)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000071334142 562719565 /nfs/dbraw/zinc/71/95/65/562719565.db2.gz RDUHYELMPPBCIZ-WXFUMESZSA-N 0 0 533.477 4.347 1 0 KIAFRN COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)c(C)c1C ZINC000071334743 562719624 /nfs/dbraw/zinc/71/96/24/562719624.db2.gz QRZXUUGUFFCWRJ-VMPREFPWSA-N 0 0 591.774 4.250 1 0 KIAFRN O=C(C(=O)N1CCCC1)c1cn(CCCn2cc(C(=O)C(=O)N3CCCC3)c3ccccc32)c2ccccc12 ZINC000071334829 562719611 /nfs/dbraw/zinc/71/96/11/562719611.db2.gz OJOGJZXCRNCOJD-UHFFFAOYSA-N 0 0 524.621 4.297 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(C3CC3)nnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071335353 562719690 /nfs/dbraw/zinc/71/96/90/562719690.db2.gz BDDIHNANOYWTHE-DYESRHJHSA-N 0 0 548.598 4.137 1 0 KIAFRN COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071335359 562719673 /nfs/dbraw/zinc/71/96/73/562719673.db2.gz DJPVYVKVYULAAE-VGOFRKELSA-N 0 0 551.598 4.011 1 0 KIAFRN O=C(Cn1c(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071340359 562719718 /nfs/dbraw/zinc/71/97/18/562719718.db2.gz WPNWZHNGMCZCQT-UHFFFAOYSA-N 0 0 508.622 4.089 1 0 KIAFRN CC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H](O)C(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C ZINC000071340432 562719707 /nfs/dbraw/zinc/71/97/07/562719707.db2.gz LWMKDRSIMLTGDK-TZEVRYHJSA-N 0 0 504.708 4.153 1 0 KIAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3noc4ccccc34)CC2)cnn1-c1cccc(Cl)c1 ZINC000071340433 562719711 /nfs/dbraw/zinc/71/97/11/562719711.db2.gz SDRFQUFZWKLDMJ-UHFFFAOYSA-N 0 0 570.071 4.001 1 0 KIAFRN O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000071340858 562719863 /nfs/dbraw/zinc/71/98/63/562719863.db2.gz QJJJSNAMXUUQGO-WXFUMESZSA-N 0 0 533.477 4.347 1 0 KIAFRN O=C(Cn1c(=O)c2cc(-c3ccccc3CN3CCOCC3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071341076 562719874 /nfs/dbraw/zinc/71/98/74/562719874.db2.gz PDBXGZKXUUZLLD-UHFFFAOYSA-N 0 0 508.622 4.089 1 0 KIAFRN O=C(Nc1ccccc1)c1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000071341111 562719904 /nfs/dbraw/zinc/71/99/04/562719904.db2.gz GLVVWAVDEZIBSH-XMMPIXPASA-N 0 0 512.031 4.452 1 0 KIAFRN CCOC(=O)c1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OC3CCCC3)CC2)cc1 ZINC000071341254 562719929 /nfs/dbraw/zinc/71/99/29/562719929.db2.gz AUDWYXHTDCBCGA-UHFFFAOYSA-N 0 0 601.125 4.036 1 0 KIAFRN Cc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000071341257 562719946 /nfs/dbraw/zinc/71/99/46/562719946.db2.gz VDDUJICDCVRXSR-DYESRHJHSA-N 0 0 521.572 4.173 1 0 KIAFRN O=C(Cn1c(=O)c2cc(-c3cccc(CN4CCOCC4)c3)ccc2nc1-c1ccccc1)NCC1CC1 ZINC000071341378 562719919 /nfs/dbraw/zinc/71/99/19/562719919.db2.gz PPTRBBNKBKYITL-UHFFFAOYSA-N 0 0 508.622 4.089 1 0 KIAFRN COCc1cnc2n1C[C@H](c1cccc(F)c1F)CC[C@H]2NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12 ZINC000071341523 562719966 /nfs/dbraw/zinc/71/99/66/562719966.db2.gz KOWBQWYMVQYTPO-VGOFRKELSA-N 0 0 536.583 4.017 1 0 KIAFRN CO/C=C(/C(=O)OC)c1ccccc1CONC(=O)c1[nH]c(Br)c(Br)c1Br ZINC000071341806 562720050 /nfs/dbraw/zinc/72/00/50/562720050.db2.gz UIFJXHHPSSXZPH-DHZHZOJOSA-N 0 0 567.028 4.324 1 0 KIAFRN Cn1ccc2ccc(S(=O)(=O)N3CCN(c4cnn(-c5cccc(Cl)c5)c(=O)c4OC4CCCC4)CC3)cc21 ZINC000071341911 562720075 /nfs/dbraw/zinc/72/00/75/562720075.db2.gz MGBBKENJTNFBRL-UHFFFAOYSA-N 0 0 568.099 4.210 1 0 KIAFRN O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)Cn2c(CC(F)(F)F)nnc21)N1CCC2(CC1)C(=O)Nc1ncccc12 ZINC000071410503 562720166 /nfs/dbraw/zinc/72/01/66/562720166.db2.gz HGNWKQPVAXPRJA-DNVCBOLYSA-N 0 0 575.542 4.370 1 0 KIAFRN COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCCC2)c(C)c1C ZINC000071410855 562720145 /nfs/dbraw/zinc/72/01/45/562720145.db2.gz QRZXUUGUFFCWRJ-URLMMPGGSA-N 0 0 591.774 4.250 1 0 KIAFRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1CCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000071411254 562720181 /nfs/dbraw/zinc/72/01/81/562720181.db2.gz UAMCWQRUTREYSU-YNFQOJQRSA-N 0 0 553.974 4.047 1 0 KIAFRN O=c1c(-c2ccc(F)cc2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccn1-c1ccccc1 ZINC000071416553 562720177 /nfs/dbraw/zinc/72/01/77/562720177.db2.gz LJTCPSBIRXCOOP-UHFFFAOYSA-N 0 0 503.599 4.296 1 0 KIAFRN O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)CCCc3ccccc3)CC2)cnn1-c1cccc(Cl)c1 ZINC000071416589 562720182 /nfs/dbraw/zinc/72/01/82/562720182.db2.gz FKNFQALGGOGIOV-UHFFFAOYSA-N 0 0 557.116 4.292 1 0 KIAFRN C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072102802 562720297 /nfs/dbraw/zinc/72/02/97/562720297.db2.gz UFHRIYXEKWOEOV-OAQYLSRUSA-N 0 0 539.677 4.227 1 0 KIAFRN C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000072102803 562720288 /nfs/dbraw/zinc/72/02/88/562720288.db2.gz UFHRIYXEKWOEOV-NRFANRHFSA-N 0 0 539.677 4.227 1 0 KIAFRN O=S(=O)(NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072103212 562720366 /nfs/dbraw/zinc/72/03/66/562720366.db2.gz LENYVELFGVKNSN-QFIPXVFZSA-N 0 0 512.504 4.306 1 0 KIAFRN O=S(=O)(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072103213 562720358 /nfs/dbraw/zinc/72/03/58/562720358.db2.gz LENYVELFGVKNSN-JOCHJYFZSA-N 0 0 512.504 4.306 1 0 KIAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103491 562720362 /nfs/dbraw/zinc/72/03/62/562720362.db2.gz MBQACFCKWXHDJE-OAQYLSRUSA-N 0 0 514.932 4.384 1 0 KIAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103492 562720346 /nfs/dbraw/zinc/72/03/46/562720346.db2.gz MBQACFCKWXHDJE-NRFANRHFSA-N 0 0 514.932 4.384 1 0 KIAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000072104237 562720410 /nfs/dbraw/zinc/72/04/10/562720410.db2.gz AKKJKVUGLJLDGZ-KYTVRQNUSA-N 0 0 584.670 4.011 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccc(F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000072104321 562720473 /nfs/dbraw/zinc/72/04/73/562720473.db2.gz UIEYMJMZWLYLCW-JVAFGIKQSA-N 0 0 614.696 4.019 1 0 KIAFRN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000072104519 562720487 /nfs/dbraw/zinc/72/04/87/562720487.db2.gz KABIQBXSOPPDGJ-VHSZZVNMSA-N 0 0 580.707 4.180 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](C)S1(=O)=O ZINC000072104529 562720459 /nfs/dbraw/zinc/72/04/59/562720459.db2.gz YYMPHHBZKSWJTL-GIGUCIRZSA-N 0 0 670.733 4.017 1 0 KIAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4cccc5c4ccn5C)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000072104552 562720515 /nfs/dbraw/zinc/72/05/15/562720515.db2.gz LPFPMUBACJGVPK-DGIFUFQNSA-N 0 0 649.770 4.372 1 0 KIAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000072104678 562720573 /nfs/dbraw/zinc/72/05/73/562720573.db2.gz ZRBOCRUOWHGMAT-QFIPXVFZSA-N 0 0 530.500 4.353 1 0 KIAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)cn1-c1ccc(Cl)cc1 ZINC000072104679 562720556 /nfs/dbraw/zinc/72/05/56/562720556.db2.gz ZRBOCRUOWHGMAT-JOCHJYFZSA-N 0 0 530.500 4.353 1 0 KIAFRN CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)[O-])cc3)cc1)CC2 ZINC000072105073 562720645 /nfs/dbraw/zinc/72/06/45/562720645.db2.gz ANXCVWTTXMWENG-VSGBNLITSA-N 0 0 563.695 4.190 1 0 KIAFRN N[C@@H](CC(=O)N1CCN(C(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072105346 562720836 /nfs/dbraw/zinc/72/08/36/562720836.db2.gz JJWMIBLXKFTPLP-SANMLTNESA-N 0 0 565.501 4.056 1 0 KIAFRN CCCC[C@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1OC ZINC000072105513 562720792 /nfs/dbraw/zinc/72/07/92/562720792.db2.gz QGAQWGFIRYVKAE-AZBDZEDCSA-N 0 0 585.654 4.368 1 0 KIAFRN CCCC[C@@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)NCCO[N+](=O)[O-])cc1OC ZINC000072105514 562720838 /nfs/dbraw/zinc/72/08/38/562720838.db2.gz QGAQWGFIRYVKAE-YEXLONIWSA-N 0 0 585.654 4.368 1 0 KIAFRN Cc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000072105893 562720882 /nfs/dbraw/zinc/72/08/82/562720882.db2.gz NSAGRDCRYQIHSI-JOCHJYFZSA-N 0 0 516.473 4.017 1 0 KIAFRN Cc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000072105894 562720846 /nfs/dbraw/zinc/72/08/46/562720846.db2.gz NSAGRDCRYQIHSI-QFIPXVFZSA-N 0 0 516.473 4.017 1 0 KIAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1 ZINC000072106087 562720904 /nfs/dbraw/zinc/72/09/04/562720904.db2.gz URUVKEXSWDTNHN-QHCPKHFHSA-N 0 0 510.082 4.008 1 0 KIAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccccc1 ZINC000072106088 562720919 /nfs/dbraw/zinc/72/09/19/562720919.db2.gz URUVKEXSWDTNHN-HSZRJFAPSA-N 0 0 510.082 4.008 1 0 KIAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072106089 562720921 /nfs/dbraw/zinc/72/09/21/562720921.db2.gz ZYEMNJXIUHSTJE-NRFANRHFSA-N 0 0 548.490 4.492 1 0 KIAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(F)cc1 ZINC000072106090 562720935 /nfs/dbraw/zinc/72/09/35/562720935.db2.gz ZYEMNJXIUHSTJE-OAQYLSRUSA-N 0 0 548.490 4.492 1 0 KIAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106640 562721066 /nfs/dbraw/zinc/72/10/66/562721066.db2.gz YGAMXKGIVCZBFH-QHCPKHFHSA-N 0 0 540.108 4.017 1 0 KIAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106641 562721071 /nfs/dbraw/zinc/72/10/71/562721071.db2.gz YGAMXKGIVCZBFH-HSZRJFAPSA-N 0 0 540.108 4.017 1 0 KIAFRN CCCc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106803 562721109 /nfs/dbraw/zinc/72/11/09/562721109.db2.gz CLXHLHGZDIFZAT-NRFANRHFSA-N 0 0 560.526 4.362 1 0 KIAFRN CCCc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106804 562721131 /nfs/dbraw/zinc/72/11/31/562721131.db2.gz CLXHLHGZDIFZAT-OAQYLSRUSA-N 0 0 560.526 4.362 1 0 KIAFRN Cc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=O)NC3=O)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000072107182 562721166 /nfs/dbraw/zinc/72/11/66/562721166.db2.gz ADTVDTSQOPGQKB-XKZIYDEJSA-N 0 0 545.616 4.163 1 0 KIAFRN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)F ZINC000072107246 562721175 /nfs/dbraw/zinc/72/11/75/562721175.db2.gz RPFOMIKETQHXGM-CGKVFUBJSA-N 0 0 646.613 4.080 1 0 KIAFRN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)F ZINC000072107247 562721162 /nfs/dbraw/zinc/72/11/62/562721162.db2.gz RPFOMIKETQHXGM-ZLLINTIPSA-N 0 0 646.613 4.080 1 0 KIAFRN Cc1noc(C)c1CN(Cc1ccc2nc(C)n(C)c(=O)c2c1)c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000072107288 562721226 /nfs/dbraw/zinc/72/12/26/562721226.db2.gz HJFCAOCGHALKHJ-UHFFFAOYSA-N 0 0 522.609 4.379 1 0 KIAFRN CCCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107395 562721243 /nfs/dbraw/zinc/72/12/43/562721243.db2.gz MCQNENKYSZXNRD-MUUNZHRXSA-N 0 0 544.622 4.314 1 0 KIAFRN CCCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107396 562721253 /nfs/dbraw/zinc/72/12/53/562721253.db2.gz MCQNENKYSZXNRD-NDEPHWFRSA-N 0 0 544.622 4.314 1 0 KIAFRN 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562723551 /nfs/dbraw/zinc/72/35/51/562723551.db2.gz WWYKSYWAOBBUPK-XMMPIXPASA-N 0 0 552.722 4.348 1 0 KIAFRN CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3 ZINC000072118546 562723616 /nfs/dbraw/zinc/72/36/16/562723616.db2.gz JBCGOQGAFRZPEK-NTFYZVRUSA-N 0 0 552.620 4.481 1 0 KIAFRN CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3 ZINC000072118649 562723602 /nfs/dbraw/zinc/72/36/02/562723602.db2.gz GNBUZPHABVVEGM-OALLQYMSSA-N 0 0 526.582 4.081 1 0 KIAFRN CCOC(=O)c1ccc2c(c1)-n1c(-c3ccccc3)c3c(c1[C@H](c1ccc(C)o1)O2)n(C)c(=O)n(C)c3=O ZINC000072118996 562723742 /nfs/dbraw/zinc/72/37/42/562723742.db2.gz MVMQEXOFACYJAQ-SANMLTNESA-N 0 0 511.534 4.255 1 0 KIAFRN CCOC(=O)c1ccc2c(c1)-n1c(-c3ccccc3)c3c(c1[C@@H](c1ccc(C)o1)O2)n(C)c(=O)n(C)c3=O ZINC000072118997 562723769 /nfs/dbraw/zinc/72/37/69/562723769.db2.gz MVMQEXOFACYJAQ-AREMUKBSSA-N 0 0 511.534 4.255 1 0 KIAFRN 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COc1ccnc(C[S@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(=O)C4CC4)cc3[nH]2)c1OC ZINC000072173107 562730761 /nfs/dbraw/zinc/73/07/61/562730761.db2.gz UKUDVXJDJGROKC-KXQOOQHDSA-N 0 0 536.566 4.152 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccco1 ZINC000072173140 562730820 /nfs/dbraw/zinc/73/08/20/562730820.db2.gz FAGVSEYJMMACHL-AREMUKBSSA-N 0 0 576.526 4.130 1 0 KIAFRN O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccco1 ZINC000072173141 562730818 /nfs/dbraw/zinc/73/08/18/562730818.db2.gz FAGVSEYJMMACHL-SANMLTNESA-N 0 0 576.526 4.130 1 0 KIAFRN CC[C@H](C)[C@H]([NH3+])C(=O)N1[C@H]2Nc3ccccc3[C@@]2(C/C=C(\C)CCC=C(C)C)C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000072173237 562730857 /nfs/dbraw/zinc/73/08/57/562730857.db2.gz CDOUMCHSQCCPSI-ZOUKXFKGSA-N 0 0 524.706 4.322 1 0 KIAFRN COc1ccnc(C[S@@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)COCc4ccccc4)cc3[nH]2)c1OC ZINC000072173311 562730885 /nfs/dbraw/zinc/73/08/85/562730885.db2.gz MBMALUWNGXJHIS-FAIXQHPJSA-N 0 0 563.680 4.429 1 0 KIAFRN COc1ccnc(C[S@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)COCc4ccccc4)cc3[nH]2)c1OC ZINC000072173312 562730887 /nfs/dbraw/zinc/73/08/87/562730887.db2.gz MBMALUWNGXJHIS-RRHRGVEJSA-N 0 0 563.680 4.429 1 0 KIAFRN CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)[C@H]1Nc1ccccc12 ZINC000072173343 562730915 /nfs/dbraw/zinc/73/09/15/562730915.db2.gz QTSMAAXEWQQRAO-SXPPXZTNSA-N 0 0 574.722 4.225 1 0 KIAFRN CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N(C(=O)[C@@H]([NH3+])CC(C)C)[C@H]1Nc1ccccc12 ZINC000072173368 562730968 /nfs/dbraw/zinc/73/09/68/562730968.db2.gz XJJTUPHPAWOHPB-REXOQZSESA-N 0 0 524.706 4.322 1 0 KIAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173388 562730942 /nfs/dbraw/zinc/73/09/42/562730942.db2.gz CKSBRFRNUXGENZ-MXDRFLMZSA-N 0 0 635.666 4.297 1 0 KIAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173389 562730957 /nfs/dbraw/zinc/73/09/57/562730957.db2.gz CKSBRFRNUXGENZ-RLWHUKFPSA-N 0 0 635.666 4.297 1 0 KIAFRN COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OS(C)(=O)=O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173390 562730973 /nfs/dbraw/zinc/73/09/73/562730973.db2.gz GNWQGWPERZJXJD-UHFFFAOYSA-N 0 0 539.562 4.385 1 0 KIAFRN CNC(=O)Oc1ccc2cc(NC(=O)c3ccc(OC)c(-c4cccc(OC)c4)c3)c(=O)oc2c1OC ZINC000072173392 562730958 /nfs/dbraw/zinc/73/09/58/562730958.db2.gz AYXCBLARGAMZGW-UHFFFAOYSA-N 0 0 504.495 4.456 1 0 KIAFRN NN1C(=S)N=NC1CSc1nnc(Cc2c3c(sc2NC(=O)c2ccccc2)CCCC3)n1NC(=O)c1ccccc1 ZINC000072173624 562731066 /nfs/dbraw/zinc/73/10/66/562731066.db2.gz PRJMXAWUYQJDAI-UHFFFAOYSA-N 0 0 617.786 4.332 1 0 KIAFRN CCN([C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072174359 562731083 /nfs/dbraw/zinc/73/10/83/562731083.db2.gz XDQSDBOCBATCPK-SIKLNZKXSA-N 0 0 569.732 4.269 1 0 KIAFRN CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)NCC(=O)[O-])N(C(=O)[C@H]([NH3+])Cc3ccccc3)[C@H]1Nc1ccccc12 ZINC000072174367 562731125 /nfs/dbraw/zinc/73/11/25/562731125.db2.gz DUJGTKCHTPVOTG-MAEWRSFLSA-N 0 0 544.696 4.131 1 0 KIAFRN COc1c(C)cnc(C[S@@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)C(F)(F)F)cc3[nH]2)c1C ZINC000072174384 562731093 /nfs/dbraw/zinc/73/10/93/562731093.db2.gz RSDORLKMXAMDER-DHUJRADRSA-N 0 0 509.554 4.382 1 0 KIAFRN COc1c(C)cnc(C[S@](=O)c2nc3cc(N4CCCCC4)c(NC(=O)C(F)(F)F)cc3[nH]2)c1C ZINC000072174385 562731097 /nfs/dbraw/zinc/73/10/97/562731097.db2.gz RSDORLKMXAMDER-PGUFJCEWSA-N 0 0 509.554 4.382 1 0 KIAFRN CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000072174411 562731096 /nfs/dbraw/zinc/73/10/96/562731096.db2.gz SHBOGBUJSDTFTG-CPJNMNHVSA-N 0 0 594.657 4.030 1 0 KIAFRN COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4[N-]C(=O)C(F)(F)F)n3)cc2CC1 ZINC000072174829 562731176 /nfs/dbraw/zinc/73/11/76/562731176.db2.gz CTOIWJDYNIQZEG-NHCUHLMSSA-N 0 0 541.018 4.322 1 0 KIAFRN COC(=O)CSc1nnc(Cc2c3c(sc2NC(C)=O)CCCC3)n1NC(=O)c1ccc(Cl)cc1 ZINC000072174917 562731184 /nfs/dbraw/zinc/73/11/84/562731184.db2.gz DURPLUQLWLERHZ-UHFFFAOYSA-N 0 0 534.063 4.070 1 0 KIAFRN COc1c(C)cnc(C[S@@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(C)=O)cc3[nH]2)c1C ZINC000072174944 562731189 /nfs/dbraw/zinc/73/11/89/562731189.db2.gz WUWQKRWXYDPMSI-BHVANESWSA-N 0 0 508.556 4.371 1 0 KIAFRN COc1c(C)cnc(C[S@](=O)c2nc3cc(Oc4ccc5c(c4)OCO5)c(NC(C)=O)cc3[nH]2)c1C ZINC000072174945 562731192 /nfs/dbraw/zinc/73/11/92/562731192.db2.gz WUWQKRWXYDPMSI-PSXMRANNSA-N 0 0 508.556 4.371 1 0 KIAFRN COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4[N-]S(=O)(=O)CC(F)(F)F)n3)cc2CC1 ZINC000072174972 562731207 /nfs/dbraw/zinc/73/12/07/562731207.db2.gz WHUMNDGRLJYAMI-FGZHOGPDSA-N 0 0 591.100 4.125 1 0 KIAFRN CCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175000 562731269 /nfs/dbraw/zinc/73/12/69/562731269.db2.gz RGWWDCCHMHHVSZ-RUZDIDTESA-N 0 0 552.548 4.024 1 0 KIAFRN CCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175001 562731246 /nfs/dbraw/zinc/73/12/46/562731246.db2.gz RGWWDCCHMHHVSZ-VWLOTQADSA-N 0 0 552.548 4.024 1 0 KIAFRN C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)C[C@H](N2CCN(C)CC2)C(=O)O1 ZINC000072175195 562731283 /nfs/dbraw/zinc/73/12/83/562731283.db2.gz QAGOMRPVOSMIGP-CUYJMHBOSA-N 0 0 538.726 4.052 1 0 KIAFRN C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)C[C@@H](N2CCN(C)CC2)C(=O)O1 ZINC000072175196 562731278 /nfs/dbraw/zinc/73/12/78/562731278.db2.gz QAGOMRPVOSMIGP-OYRHQHFDSA-N 0 0 538.726 4.052 1 0 KIAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000072175251 562731311 /nfs/dbraw/zinc/73/13/11/562731311.db2.gz QKDYZNYTHOUXAF-QPPAZNIQSA-N 0 0 536.621 4.344 1 0 KIAFRN CCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175288 562731312 /nfs/dbraw/zinc/73/13/12/562731312.db2.gz CPHGYZCKIPSEFC-AREMUKBSSA-N 0 0 566.575 4.414 1 0 KIAFRN CCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175289 562731296 /nfs/dbraw/zinc/73/12/96/562731296.db2.gz CPHGYZCKIPSEFC-SANMLTNESA-N 0 0 566.575 4.414 1 0 KIAFRN CC(C)(C)C(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175333 562731340 /nfs/dbraw/zinc/73/13/40/562731340.db2.gz RMLIGJXSECLNTE-AREMUKBSSA-N 0 0 566.575 4.270 1 0 KIAFRN CC(C)(C)C(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072175334 562731331 /nfs/dbraw/zinc/73/13/31/562731331.db2.gz RMLIGJXSECLNTE-SANMLTNESA-N 0 0 566.575 4.270 1 0 KIAFRN CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(OC2(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1 ZINC000072175614 562731400 /nfs/dbraw/zinc/73/14/00/562731400.db2.gz SHBOGBUJSDTFTG-PWRWEZGUSA-N 0 0 594.657 4.030 1 0 KIAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@@]23OC(C)(C)[C@@H]([C@H]2OC(=O)c2cccnc2)[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000072175619 562731381 /nfs/dbraw/zinc/73/13/81/562731381.db2.gz RBWYBFBRDPHRKU-NUCQMQBUSA-N 0 0 579.646 4.310 1 0 KIAFRN CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(N)=O)cc3OC)nc1-2 ZINC000072175782 562731403 /nfs/dbraw/zinc/73/14/03/562731403.db2.gz ZWRLLBAFCKACAL-UHFFFAOYSA-N 0 0 525.613 4.204 1 0 KIAFRN CCCCCc1ccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)cc1 ZINC000072176303 562731601 /nfs/dbraw/zinc/73/16/01/562731601.db2.gz CAVKDJFYNBSFLG-HKBQPEDESA-N 0 0 587.631 4.477 1 0 KIAFRN CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)cc1 ZINC000072176386 562731610 /nfs/dbraw/zinc/73/16/10/562731610.db2.gz YCWNJPHTSLNBDG-PMERELPUSA-N 0 0 573.604 4.042 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(OC/C=C\COc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072176999 562731740 /nfs/dbraw/zinc/73/17/40/562731740.db2.gz PKSVPYYAZARWJA-PLDCJNJHSA-N 0 0 636.796 4.412 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OC/C=C\COc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072177000 562731727 /nfs/dbraw/zinc/73/17/27/562731727.db2.gz PKSVPYYAZARWJA-CKYCPWCNSA-N 0 0 636.796 4.412 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OC/C=C\COc2cccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072177001 562731736 /nfs/dbraw/zinc/73/17/36/562731736.db2.gz PKSVPYYAZARWJA-HNKQAXQUSA-N 0 0 636.796 4.412 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(OCCCOc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072177293 562731778 /nfs/dbraw/zinc/73/17/78/562731778.db2.gz FFVSQCMSKWKRFE-KAYWLYCHSA-N 0 0 624.785 4.246 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OCCCOc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072177294 562731762 /nfs/dbraw/zinc/73/17/62/562731762.db2.gz FFVSQCMSKWKRFE-MKPDMIMOSA-N 0 0 624.785 4.246 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OCCCOc2cccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072177295 562731776 /nfs/dbraw/zinc/73/17/76/562731776.db2.gz FFVSQCMSKWKRFE-SVBPBHIXSA-N 0 0 624.785 4.246 1 0 KIAFRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1 ZINC000072177561 562731840 /nfs/dbraw/zinc/73/18/40/562731840.db2.gz NOQRQEZCGYWILA-WBZSVMNYSA-N 0 0 612.424 4.450 1 0 KIAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(C(F)(F)F)c(-c2cnc3ccccn32)n1 ZINC000072177771 562731899 /nfs/dbraw/zinc/73/18/99/562731899.db2.gz JSPJZRZQPACRSQ-UHFFFAOYSA-N 0 0 511.508 4.231 1 0 KIAFRN CCCCc1ccc(C(=O)Nc2ccc(-n3cnn(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)c3=O)cc2)cc1 ZINC000072177823 562731907 /nfs/dbraw/zinc/73/19/07/562731907.db2.gz CLGQMMRWJNPGMS-PMERELPUSA-N 0 0 573.604 4.087 1 0 KIAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3cc(N4CCCC4)ccn32)n1 ZINC000072178314 562732031 /nfs/dbraw/zinc/73/20/31/562732031.db2.gz QNEXUFYNUMBJSS-UHFFFAOYSA-N 0 0 547.063 4.466 1 0 KIAFRN COCCC(=O)N1CCCc2c(C)c3c(n2-c2ccc(C(N)=O)c(c2)N[C@@H](C)[C@@H]1C)CC(C)(C)CC3=O ZINC000072178354 562732023 /nfs/dbraw/zinc/73/20/23/562732023.db2.gz RBWHSVCFANTGQI-OALUTQOASA-N 0 0 508.663 4.040 1 0 KIAFRN COc1cc(N2CCN(C(=O)N(C)C)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1 ZINC000072178364 562732046 /nfs/dbraw/zinc/73/20/46/562732046.db2.gz KJIIHQMAERQPHW-UHFFFAOYSA-N 0 0 506.998 4.001 1 0 KIAFRN COc1ccc(NC(=O)N2CCCc3cc(S(=O)(=O)N4C[C@](C)(c5ccccc5)NC4=O)ccc32)cc1 ZINC000072178425 562732051 /nfs/dbraw/zinc/73/20/51/562732051.db2.gz BODAQVHKSQMTFS-HHHXNRCGSA-N 0 0 520.611 4.309 1 0 KIAFRN COc1ccc(NC(=O)N2CCCc3cc(S(=O)(=O)N4C[C@@](C)(c5ccccc5)NC4=O)ccc32)cc1 ZINC000072178426 562732073 /nfs/dbraw/zinc/73/20/73/562732073.db2.gz BODAQVHKSQMTFS-MHZLTWQESA-N 0 0 520.611 4.309 1 0 KIAFRN O=C(Nc1ccc(-n2cnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2=O)cc1)c1ccc(Cl)cc1Cl ZINC000072178672 562732128 /nfs/dbraw/zinc/73/21/28/562732128.db2.gz KTPIYUAMWNVHOE-SANMLTNESA-N 0 0 586.386 4.051 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC/C=C\COc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072178925 562732200 /nfs/dbraw/zinc/73/22/00/562732200.db2.gz VLDWTXXXXCFWTD-ZSKREDNISA-N 0 0 696.848 4.430 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC/C=C\COc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072178926 562732190 /nfs/dbraw/zinc/73/21/90/562732190.db2.gz VLDWTXXXXCFWTD-KNPDXEQISA-N 0 0 696.848 4.430 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC/C=C\COc2ccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072178927 562732196 /nfs/dbraw/zinc/73/21/96/562732196.db2.gz VLDWTXXXXCFWTD-PYTLONBYSA-N 0 0 696.848 4.430 1 0 KIAFRN COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3c(F)cc(F)cn23)n1 ZINC000072178938 562732211 /nfs/dbraw/zinc/73/22/11/562732211.db2.gz AOUATNRHHSRWML-UHFFFAOYSA-N 0 0 513.936 4.144 1 0 KIAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5ccc(F)cc5)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 ZINC000072178993 562732208 /nfs/dbraw/zinc/73/22/08/562732208.db2.gz LWIAVJGVALWTGR-JTHBVZDNSA-N 0 0 588.669 4.247 1 0 KIAFRN O=C(NCC1(N2CCOCC2)CCCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 ZINC000072179034 562732232 /nfs/dbraw/zinc/73/22/32/562732232.db2.gz KBMUERZJSPYVEJ-UHFFFAOYSA-N 0 0 504.635 4.209 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC/C=C/COc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179155 562732243 /nfs/dbraw/zinc/73/22/43/562732243.db2.gz VLDWTXXXXCFWTD-POOFEUPQSA-N 0 0 696.848 4.430 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC/C=C/COc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179156 562732269 /nfs/dbraw/zinc/73/22/69/562732269.db2.gz VLDWTXXXXCFWTD-VAXZMBRESA-N 0 0 696.848 4.430 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC/C=C/COc2ccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179157 562732248 /nfs/dbraw/zinc/73/22/48/562732248.db2.gz VLDWTXXXXCFWTD-JPMIBHJUSA-N 0 0 696.848 4.430 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cccc(OC/C=C/COc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072179238 562732299 /nfs/dbraw/zinc/73/22/99/562732299.db2.gz PKSVPYYAZARWJA-CKBAELGNSA-N 0 0 636.796 4.412 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OC/C=C/COc2cccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072179239 562732285 /nfs/dbraw/zinc/73/22/85/562732285.db2.gz PKSVPYYAZARWJA-VNFBWQHTSA-N 0 0 636.796 4.412 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(OC/C=C/COc2cccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)c2)c1 ZINC000072179240 562732297 /nfs/dbraw/zinc/73/22/97/562732297.db2.gz PKSVPYYAZARWJA-UQPVZGIXSA-N 0 0 636.796 4.412 1 0 KIAFRN O=C(Cn1c(=O)ccc2ccc(OC(F)(F)F)cc21)Nc1scc(Br)c1-c1nnc[nH]1 ZINC000072179285 562732272 /nfs/dbraw/zinc/73/22/72/562732272.db2.gz VFFOCQZCDTURBY-UHFFFAOYSA-N 0 0 514.283 4.148 1 0 KIAFRN O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072179314 562732306 /nfs/dbraw/zinc/73/23/06/562732306.db2.gz BHDJYICBLHHMEY-OIBXWCBGSA-N 0 0 501.974 4.438 1 0 KIAFRN O=C(Nc1cccnc1-c1ccccc1Cl)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072179315 562732316 /nfs/dbraw/zinc/73/23/16/562732316.db2.gz BHDJYICBLHHMEY-WTIAFYNJSA-N 0 0 501.974 4.438 1 0 KIAFRN O=C(Cn1c(=O)ccc2cc(OC(F)(F)F)ccc21)Nc1scc(Br)c1-c1nnc[nH]1 ZINC000072179348 562732286 /nfs/dbraw/zinc/73/22/86/562732286.db2.gz BZKOXELLQJFKSQ-UHFFFAOYSA-N 0 0 514.283 4.148 1 0 KIAFRN O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 ZINC000072179627 562732350 /nfs/dbraw/zinc/73/23/50/562732350.db2.gz IMGAQUCILNZHKU-PUHATCMVSA-N 0 0 501.974 4.438 1 0 KIAFRN O=C(Nc1cccnc1-c1ccc(Cl)cc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072179628 562732356 /nfs/dbraw/zinc/73/23/56/562732356.db2.gz IMGAQUCILNZHKU-AKIFATBCSA-N 0 0 501.974 4.438 1 0 KIAFRN O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 ZINC000072179629 562732381 /nfs/dbraw/zinc/73/23/81/562732381.db2.gz VKKSTFWZGBMPED-AKIFATBCSA-N 0 0 501.974 4.438 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCCCOc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179791 562732442 /nfs/dbraw/zinc/73/24/42/562732442.db2.gz JXFCUUAGUGCQAK-FQLXRVMXSA-N 0 0 684.837 4.264 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCCCOc2ccc([C@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179792 562732443 /nfs/dbraw/zinc/73/24/43/562732443.db2.gz JXFCUUAGUGCQAK-ISILISOKSA-N 0 0 684.837 4.264 1 0 KIAFRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCCCOc2ccc([C@@H]3NC(=S)N=C(C)C3C(=O)OCC)cc2OC)c(OC)c1 ZINC000072179793 562732402 /nfs/dbraw/zinc/73/24/02/562732402.db2.gz JXFCUUAGUGCQAK-VMPREFPWSA-N 0 0 684.837 4.264 1 0 KIAFRN CCOC(=O)CN(COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)c3c(C)onc3-c3c(Cl)cccc3Cl)[C@H]2SC1(C)C)C(=O)c1ccccc1 ZINC000072179823 562732412 /nfs/dbraw/zinc/73/24/12/562732412.db2.gz QSYGOHFJYJFILP-BEYSDYMESA-N 0 0 689.574 4.324 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](C)[S@]1=O ZINC000072180324 562732488 /nfs/dbraw/zinc/73/24/88/562732488.db2.gz JDKBTQISQGHREJ-SGGUSVAJSA-N 0 0 654.734 4.351 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@@H](C)[S@@]1=O ZINC000072180325 562732446 /nfs/dbraw/zinc/73/24/46/562732446.db2.gz JDKBTQISQGHREJ-BICHOLLRSA-N 0 0 654.734 4.351 1 0 KIAFRN CCCC(=O)O[C@@H]1C[C@](O)(C(=O)OCC)C=C(OCc2ccc3sccc3c2)[C@H]1OC(=O)CCC ZINC000072180489 562732514 /nfs/dbraw/zinc/73/25/14/562732514.db2.gz LOWUGXLJQQIPRE-ZOSUSCCZSA-N 0 0 504.601 4.424 1 0 KIAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)n[nH]1 ZINC000072180999 562732650 /nfs/dbraw/zinc/73/26/50/562732650.db2.gz QFOMGFNHXREHSV-UHFFFAOYSA-N 0 0 531.646 4.038 1 0 KIAFRN O=C1[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1CCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000072181784 562732804 /nfs/dbraw/zinc/73/28/04/562732804.db2.gz PMOMBLNBQOHOHY-DTIDVZRVSA-N 0 0 568.001 4.437 1 0 KIAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186059 562732958 /nfs/dbraw/zinc/73/29/58/562732958.db2.gz MMFQFGGJNHEHFF-QFIPXVFZSA-N 0 0 512.504 4.306 1 0 KIAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072186060 562732993 /nfs/dbraw/zinc/73/29/93/562732993.db2.gz MMFQFGGJNHEHFF-JOCHJYFZSA-N 0 0 512.504 4.306 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000072316256 562733112 /nfs/dbraw/zinc/73/31/12/562733112.db2.gz RUNFYOCZSWNWFH-OJWOGGGRSA-N 0 0 576.017 4.267 1 0 KIAFRN Cc1ccc2nc(C)c(-c3cc4nc(N5CCC[C@H]5CO)cc(N(C5CC5)C5CCOCC5)n4n3)nc2c1 ZINC000072316503 562733140 /nfs/dbraw/zinc/73/31/40/562733140.db2.gz GHNXAQFZICVYSW-QFIPXVFZSA-N 0 0 513.646 4.065 1 0 KIAFRN Cc1c(-c2ccc(C(N)=O)c3[nH]c4cc([C@H](O)CO)ccc4c32)cccc1-n1cnc2ccc(F)cc2c1=O ZINC000072319588 562733243 /nfs/dbraw/zinc/73/32/43/562733243.db2.gz YEHLSDJVCGOMHS-AREMUKBSSA-N 0 0 522.536 4.259 1 0 KIAFRN CCC/C=C\c1ccc(CN2[C@H](C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000073011871 562733323 /nfs/dbraw/zinc/73/33/23/562733323.db2.gz QGVDXNOGVFQAMT-NOUOYNBVSA-N 0 0 513.708 4.234 1 0 KIAFRN CCC/C=C\c1ccc(CN2[C@H](CC(C)C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000073129216 562733312 /nfs/dbraw/zinc/73/33/12/562733312.db2.gz MZWKBFRDBUWBCE-LFFZWXJASA-N 0 0 539.702 4.322 1 0 KIAFRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2ccc(=O)[nH]c2c1=O ZINC000073138950 562733443 /nfs/dbraw/zinc/73/34/43/562733443.db2.gz FFCTZEHFYVECFH-UHFFFAOYSA-N 0 0 540.498 4.138 1 0 KIAFRN CCCS(=O)(=O)[N-]c1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000073139498 562733476 /nfs/dbraw/zinc/73/34/76/562733476.db2.gz GPXOWKRFTZBHMI-MHZLTWQESA-N 0 0 547.743 4.465 1 0 KIAFRN CCCS(=O)(=O)[N-]c1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000073139503 562733435 /nfs/dbraw/zinc/73/34/35/562733435.db2.gz GPXOWKRFTZBHMI-HHHXNRCGSA-N 0 0 547.743 4.465 1 0 KIAFRN COc1cc(NC(=O)c2cn(Cc3ccccc3Br)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC ZINC000073140919 562733656 /nfs/dbraw/zinc/73/36/56/562733656.db2.gz HGMMMFSRPZKZDL-UHFFFAOYSA-N 0 0 540.370 4.191 1 0 KIAFRN COc1cc(NC(=O)c2cn(Cc3ccc(F)cc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC ZINC000073140921 562733651 /nfs/dbraw/zinc/73/36/51/562733651.db2.gz RBXQRLLQILSJTD-UHFFFAOYSA-N 0 0 513.909 4.221 1 0 KIAFRN COc1cc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc(OC)c1OC ZINC000073141368 562733728 /nfs/dbraw/zinc/73/37/28/562733728.db2.gz OXBXSLUEODNRHJ-UHFFFAOYSA-N 0 0 513.909 4.221 1 0 KIAFRN [NH3+][C@@H](CC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21)C(=O)[O-] ZINC000073142172 562733763 /nfs/dbraw/zinc/73/37/63/562733763.db2.gz UYSZRALYBIFTBO-HNNXBMFYSA-N 0 0 514.382 4.132 1 0 KIAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2c(Cl)cccc2Cl)CC1 ZINC000073142197 562733739 /nfs/dbraw/zinc/73/37/39/562733739.db2.gz BBWWFAZQLCTCPJ-HSZRJFAPSA-N 0 0 543.451 4.270 1 0 KIAFRN COc1cc(CCC(=O)OC[C@H](Cc2ccc(O)c(OC)c2)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O ZINC000073142293 562733749 /nfs/dbraw/zinc/73/37/49/562733749.db2.gz IRERROBHFWIUQH-GOTSBHOMSA-N 0 0 540.609 4.015 1 0 KIAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(Br)cnc2Oc2ccc(Cl)cc2)CC1 ZINC000073156299 562733810 /nfs/dbraw/zinc/73/38/10/562733810.db2.gz AQULARYXMWMRLY-XMMPIXPASA-N 0 0 587.902 4.379 1 0 KIAFRN O=C(NCc1ccncc1)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1 ZINC000073157782 562733891 /nfs/dbraw/zinc/73/38/91/562733891.db2.gz KSQCYRVHZWATJR-UHFFFAOYSA-N 0 0 541.514 4.006 1 0 KIAFRN CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCc2cccs2)OC1=O ZINC000073160935 562734110 /nfs/dbraw/zinc/73/41/10/562734110.db2.gz MDNOAQGZPKWQAZ-VUGRWMMESA-N 0 0 592.834 4.409 1 0 KIAFRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2ccccc2C(F)(F)F)c2ccc(=O)[nH]c2c1=O ZINC000073161730 562734127 /nfs/dbraw/zinc/73/41/27/562734127.db2.gz BAAPYFXUHMKKPB-UHFFFAOYSA-N 0 0 524.499 4.258 1 0 KIAFRN O=C(Nc1ccc(N2CCOCC2)cc1)c1cn(Cc2c(F)cccc2Cl)c2ccc(=O)[nH]c2c1=O ZINC000073161739 562734159 /nfs/dbraw/zinc/73/41/59/562734159.db2.gz MSQQXQFZLXSONK-UHFFFAOYSA-N 0 0 508.937 4.032 1 0 KIAFRN COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000073162154 562734181 /nfs/dbraw/zinc/73/41/81/562734181.db2.gz LNODMNUGJTVKST-SFGSCECESA-N 0 0 530.702 4.220 1 0 KIAFRN COC(=O)[C@@H](C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000073162157 562734180 /nfs/dbraw/zinc/73/41/80/562734180.db2.gz LNODMNUGJTVKST-HFKOPCBYSA-N 0 0 530.702 4.220 1 0 KIAFRN COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1cccc(C=C4SC(=O)NC4=O)c1)OCO3)OCO2 ZINC000073163632 562734246 /nfs/dbraw/zinc/73/42/46/562734246.db2.gz YAFVJMDHZOACJB-UFWORHAWSA-N 0 0 607.549 4.158 1 0 KIAFRN CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)N2CCN(Cc3[nH]cnc3C)CC2)c1 ZINC000073164535 562734334 /nfs/dbraw/zinc/73/43/34/562734334.db2.gz ZLMMTVJZWSOPAL-HHHXNRCGSA-N 0 0 518.662 4.286 1 0 KIAFRN CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(C)CC)cc2)N2CCN(Cc3c[nH]c(C)n3)CC2)c1 ZINC000073164538 562734306 /nfs/dbraw/zinc/73/43/06/562734306.db2.gz VPSNPANVSANEOB-HHHXNRCGSA-N 0 0 518.662 4.286 1 0 KIAFRN CCN(C)C(=O)c1ccc([C@H](c2cccc(NC(=O)OC)c2)N2CCN(Cc3cscn3)CC2)cc1 ZINC000073164543 562734345 /nfs/dbraw/zinc/73/43/45/562734345.db2.gz RKZCJFSJVDANFF-RUZDIDTESA-N 0 0 507.660 4.321 1 0 KIAFRN CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3cccnc3)CC2)c1 ZINC000073164545 562734337 /nfs/dbraw/zinc/73/43/37/562734337.db2.gz XSFBTECQJYZXLG-MUUNZHRXSA-N 0 0 513.642 4.403 1 0 KIAFRN CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)cn2)cc1 ZINC000073164612 562734361 /nfs/dbraw/zinc/73/43/61/562734361.db2.gz QLMXRTDDSGFRPE-UHFFFAOYSA-N 0 0 615.716 4.442 1 0 KIAFRN CN1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2F)CC1 ZINC000073164786 562734317 /nfs/dbraw/zinc/73/43/17/562734317.db2.gz DYDMXIWYULAKCW-UHFFFAOYSA-N 0 0 537.665 4.108 1 0 KIAFRN CN1CCN(C(=O)[C@@H](COCc2ccncc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073165660 562734448 /nfs/dbraw/zinc/73/44/48/562734448.db2.gz RIMDJKXHMLJROO-JOCHJYFZSA-N 0 0 577.991 4.030 1 0 KIAFRN CN1CCN(C(=O)[C@@H](COCC(C)(C)C)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000073167641 562734637 /nfs/dbraw/zinc/73/46/37/562734637.db2.gz XBXQAGKJALZGRX-HXUWFJFHSA-N 0 0 557.013 4.481 1 0 KIAFRN COc1ccc(Nc2nc(Nc3ccc(OC)c(F)c3)cc(N3CCN(c4ncccn4)CC3)n2)cc1 ZINC000073167804 562734616 /nfs/dbraw/zinc/73/46/16/562734616.db2.gz MGOYDGQTNJPALW-UHFFFAOYSA-N 0 0 502.554 4.237 1 0 KIAFRN O=C(NCCN1CC[NH2+]CC1)c1cccc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000073168068 562734685 /nfs/dbraw/zinc/73/46/85/562734685.db2.gz XVTYAHGXCRRHMV-UHFFFAOYSA-N 0 0 584.913 4.270 1 0 KIAFRN O=S(=O)(Nc1cc(-c2ccc3ncc(NCCN4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073168176 562734667 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/nfs/dbraw/zinc/73/47/35/562734735.db2.gz GBVUNGGIUBYFAB-RUZDIDTESA-N 0 0 510.581 4.351 1 0 KIAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cc(F)cnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000073168757 562734737 /nfs/dbraw/zinc/73/47/37/562734737.db2.gz YYFYVPVJVJMRQP-HSZRJFAPSA-N 0 0 561.441 4.409 1 0 KIAFRN CN1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)CC1 ZINC000073168760 562734785 /nfs/dbraw/zinc/73/47/85/562734785.db2.gz RKYWWELMPHAGKM-HSZRJFAPSA-N 0 0 543.451 4.270 1 0 KIAFRN CCCCN(C)C(=O)n1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)c2cccnc21 ZINC000073169131 562734787 /nfs/dbraw/zinc/73/47/87/562734787.db2.gz FYMFLFJIGGNMRC-SSBOKUKZSA-N 0 0 575.660 4.431 1 0 KIAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@H](NC(C)=O)CC3(C)C)ncc1Cl ZINC000073169656 562734881 /nfs/dbraw/zinc/73/48/81/562734881.db2.gz WUQHCERYWGJEJO-HXUWFJFHSA-N 0 0 539.999 4.240 1 0 KIAFRN CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)NC(=O)[C@@H](NC(C)=O)CC3(C)C)ncc1Cl ZINC000073169659 562734876 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O=C(OCc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cccc(Cl)c2)C2CC2)cc1)c1ccccc1 ZINC000073198243 562735620 /nfs/dbraw/zinc/73/56/20/562735620.db2.gz LLYZFLCWYTZCEI-AREMUKBSSA-N 0 0 518.013 4.193 1 0 KIAFRN COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000073198312 562735655 /nfs/dbraw/zinc/73/56/55/562735655.db2.gz BWHRGNXBOJOXQI-HHHXNRCGSA-N 0 0 552.071 4.298 1 0 KIAFRN CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c1 ZINC000073198400 562735692 /nfs/dbraw/zinc/73/56/92/562735692.db2.gz NQMJRRPRPMUQJG-GDLZYMKVSA-N 0 0 603.119 4.219 1 0 KIAFRN COc1c(C)nccc1CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(OCCOc2c(Cl)cc(C)cc2Cl)nc1)C1CC1 ZINC000073198461 562735753 /nfs/dbraw/zinc/73/57/53/562735753.db2.gz CDOQTSULIQIVAN-RUZDIDTESA-N 0 0 614.530 4.363 1 0 KIAFRN COc1c(C)nccc1CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)C1CC1 ZINC000073198713 562735810 /nfs/dbraw/zinc/73/58/10/562735810.db2.gz HIDMUKZDFUMASJ-AREMUKBSSA-N 0 0 582.623 4.324 1 0 KIAFRN CCS(=O)(=O)CCOc1ccc2cc1CN(C)C/C=C/CCOc1cccc(c1)-c1ccnc(n1)N2 ZINC000073198755 562735839 /nfs/dbraw/zinc/73/58/39/562735839.db2.gz KFBWYQJUHSEIDI-SNAWJCMRSA-N 0 0 508.644 4.471 1 0 KIAFRN COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(COC(=O)c3ccccc3)cc2)C2CC2)c(Cl)cn1 ZINC000073198805 562735881 /nfs/dbraw/zinc/73/58/81/562735881.db2.gz GCOBUKMPSZWGDV-GDLZYMKVSA-N 0 0 591.108 4.167 1 0 KIAFRN COCCCc1cc(CN(C(=O)[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000073199063 562735942 /nfs/dbraw/zinc/73/59/42/562735942.db2.gz RGDWOACHRVJEJZ-JGCGQSQUSA-N 0 0 637.177 4.034 1 0 KIAFRN CN(CCCc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1 ZINC000073199303 562735969 /nfs/dbraw/zinc/73/59/69/562735969.db2.gz CLLVOEJNZVDLCD-GDLZYMKVSA-N 0 0 515.654 4.068 1 0 KIAFRN COc1cc(/C=C2\CCCN3C2=NO[C@]3(CN(C)C(C)=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000073199618 562736012 /nfs/dbraw/zinc/73/60/12/562736012.db2.gz KYXYOHPAGQAELB-NAAOHXBZSA-N 0 0 503.578 4.483 1 0 KIAFRN 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XIZZGXPWACFXJF-RVLVUDRFSA-N 0 0 533.638 4.156 1 0 biogenic,in-vitro KIAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)C[C@@]23C(=C[C@H](O)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153891 291824667 /nfs/dbraw/zinc/82/46/67/291824667.db2.gz QXQAUWAARWFHKZ-ZAQWCCOOSA-N 0 0 504.620 4.369 1 0 biogenic,in-vitro KIAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(C)=O)[C@@]23C(=C[C@H](O)C[C@H]21)[C@@H](OC(=O)CCC)O[C@H]3OC(=O)CCC ZINC000084153903 291824675 /nfs/dbraw/zinc/82/46/75/291824675.db2.gz KGWLIKQXAVVBFW-QCBPRUOOSA-N 0 0 548.673 4.120 1 0 biogenic,in-vitro KIAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@H](OC(=O)C(C)C)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153924 291824404 /nfs/dbraw/zinc/82/44/04/291824404.db2.gz PASSAFHUDJPXAL-NCZKHPSYSA-N 0 0 504.620 4.225 1 0 biogenic,in-vitro KIAFRN COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000084154257 560045810 /nfs/dbraw/zinc/04/58/10/560045810.db2.gz TXJQTZQVBOZFPM-QKJMGJILSA-N 0 0 518.735 4.238 1 0 biogenic,in-vitro KIAFRN COC(=O)[C@]12CCC(C)(C)[C@@H](O)[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000084154266 560046106 /nfs/dbraw/zinc/04/61/06/560046106.db2.gz ILNUAJNZFQMDHR-GJHSOGOJSA-N 0 0 518.735 4.238 1 0 biogenic,in-vitro KIAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@H]21)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000084154276 291824672 /nfs/dbraw/zinc/82/46/72/291824672.db2.gz UPJCAOKQHBUOLB-QCBPRUOOSA-N 0 0 548.673 4.120 1 0 biogenic,in-vitro KIAFRN CN1CN(C)C2(CCN(C(=O)OC[C@@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000084403340 562742979 /nfs/dbraw/zinc/74/29/79/562742979.db2.gz HZAVUUXVJPCTKH-UKILVPOCSA-N 0 0 611.111 4.235 1 0 KIAFRN CN1CN(C)C2(CCN(C(=O)OC[C@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000084403341 562742959 /nfs/dbraw/zinc/74/29/59/562742959.db2.gz HZAVUUXVJPCTKH-ILBGXUMGSA-N 0 0 611.111 4.235 1 0 KIAFRN O=C(N[C@@H](CO)c1ccccc1)[C@@H](Cc1ccccc1)CS(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000084449820 562743012 /nfs/dbraw/zinc/74/30/12/562743012.db2.gz WWBIOLVJYPIOSU-CUPIEXAXSA-N 0 0 612.792 4.153 1 0 KIAFRN O=C(N[C@H](CO)c1ccccc1)[C@@H](Cc1ccccc1)CS(=O)C[C@H](Cc1ccccc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000084449824 562743041 /nfs/dbraw/zinc/74/30/41/562743041.db2.gz WWBIOLVJYPIOSU-PSWJWLENSA-N 0 0 612.792 4.153 1 0 KIAFRN CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NCc3ccccc3Cl)CC2)c2ccccc21 ZINC000084462231 562743108 /nfs/dbraw/zinc/74/31/08/562743108.db2.gz KBULHCWLNOPYFW-HHHXNRCGSA-N 0 0 568.139 4.355 1 0 KIAFRN CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)NCc3ccccc3Cl)CC2)c2ccccc21 ZINC000084462232 562743083 /nfs/dbraw/zinc/74/30/83/562743083.db2.gz KBULHCWLNOPYFW-MHZLTWQESA-N 0 0 568.139 4.355 1 0 KIAFRN COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/COC(=O)C(F)(F)F)C(C)C)c1 ZINC000084462437 562743200 /nfs/dbraw/zinc/74/32/00/562743200.db2.gz OSSHYAGHQBVRIY-RJDQDXJNSA-N 0 0 631.692 4.262 1 0 KIAFRN COc1cccc(C(=O)CN2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/COC(=O)C(F)(F)F)C(C)C)c1 ZINC000084462438 562743207 /nfs/dbraw/zinc/74/32/07/562743207.db2.gz OSSHYAGHQBVRIY-IDEOWONXSA-N 0 0 631.692 4.262 1 0 KIAFRN CCCCCOC(=O)[C@H](C)N[P@](=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c2ncnc3N)O1)Oc1ccccc1 ZINC000084466079 562743155 /nfs/dbraw/zinc/74/31/55/562743155.db2.gz TXBCSFKOSKNSJT-WEXCRSEHSA-N 0 0 548.512 4.075 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)[C@H](C)NC(=O)OC1CC(C)(C)N(O)C(C)(C)C1 ZINC000084466319 562743274 /nfs/dbraw/zinc/74/32/74/562743274.db2.gz IJMYYSJMCZTROF-DCUXWYIKSA-N 0 0 653.705 4.297 1 0 KIAFRN CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(C(=O)c3ccccc3)CCN2)c1 ZINC000084466404 562743248 /nfs/dbraw/zinc/74/32/48/562743248.db2.gz ZJLWDMHHAMNWRK-QAXCHELISA-N 0 0 620.741 4.352 1 0 in-vitro KIAFRN COc1ccc(OC[C@H](O)CN2CCN([C@H](C(=O)NCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000084489095 562743242 /nfs/dbraw/zinc/74/32/42/562743242.db2.gz NLKMCQPIQBBSLW-NAKRPHOHSA-N 0 0 557.613 4.129 1 0 KIAFRN COc1ccc(OC[C@@H](O)CN2CCN([C@H](C(=O)NCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000084489096 562743277 /nfs/dbraw/zinc/74/32/77/562743277.db2.gz NLKMCQPIQBBSLW-LSYYVWMOSA-N 0 0 557.613 4.129 1 0 KIAFRN COc1ccc(OC[C@H](O)CN2CCN([C@@H](C(=O)NCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000084489097 562743210 /nfs/dbraw/zinc/74/32/10/562743210.db2.gz NLKMCQPIQBBSLW-LEAFIULHSA-N 0 0 557.613 4.129 1 0 KIAFRN COc1ccc(OC[C@@H](O)CN2CCN([C@@H](C(=O)NCc3ccccc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000084489098 562743225 /nfs/dbraw/zinc/74/32/25/562743225.db2.gz NLKMCQPIQBBSLW-LBNVMWSVSA-N 0 0 557.613 4.129 1 0 KIAFRN O=C(c1ccccn1)N1CCN(CCCNc2nnc(-c3cccc(F)c3)c3c2cc2ccccn23)CC1 ZINC000084534304 562743235 /nfs/dbraw/zinc/74/32/35/562743235.db2.gz UEKRYBQQGQXNOW-UHFFFAOYSA-N 0 0 509.589 4.344 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)/C=C/c3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000084538246 562743300 /nfs/dbraw/zinc/74/33/00/562743300.db2.gz ZPUJAMHIYJVMQJ-SPMYTZGXSA-N 0 0 561.562 4.386 1 0 KIAFRN C[C@@H](NC(=O)c1cc(NC(=O)CC[C@](O)(Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000084549180 562743303 /nfs/dbraw/zinc/74/33/03/562743303.db2.gz FDXVDUYPLMZFSW-WCRCCQJKSA-N 0 0 698.842 4.040 1 0 KIAFRN COc1ccc([C@@H]2[C@@H]3CSCN3[C@]3(c4ccccc4NC3=O)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000084564573 562743344 /nfs/dbraw/zinc/74/33/44/562743344.db2.gz FAYAYZMIJPEAGR-FSLSCCJVSA-N 0 0 558.656 4.466 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084586686 562743392 /nfs/dbraw/zinc/74/33/92/562743392.db2.gz PSRQKGSEEYKFMK-IBGZPJMESA-N 0 0 556.700 4.045 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4cccnc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084586689 562743433 /nfs/dbraw/zinc/74/34/33/562743433.db2.gz PSRQKGSEEYKFMK-LJQANCHMSA-N 0 0 556.700 4.045 1 0 KIAFRN COP(=O)(OC)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@@]2(C)[C@]3(O)CC[C@@]2(O)C(C)=O)C1 ZINC000084587002 562743443 /nfs/dbraw/zinc/74/34/43/562743443.db2.gz DIYSPEHJPADAOT-SCVRDYCXSA-N 0 0 598.670 4.409 1 0 KIAFRN C/C(=C\C(=O)Nc1ccc2nc(N3CCC(NS(C)(=O)=O)CC3)nc(C)c2c1)c1ccc(Cl)cc1 ZINC000084587086 562743451 /nfs/dbraw/zinc/74/34/51/562743451.db2.gz JEDWKYAQYBVVLM-JQIJEIRASA-N 0 0 514.051 4.152 1 0 KIAFRN CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 ZINC000084587953 562743593 /nfs/dbraw/zinc/74/35/93/562743593.db2.gz ZJWAEMNLDJQLSS-TVPGTPATSA-N 0 0 707.631 4.330 1 0 KIAFRN Cc1nc(N2CCC(N3CCCC3=O)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084596141 562743633 /nfs/dbraw/zinc/74/36/33/562743633.db2.gz BFJHXQVIPAUQOC-UHFFFAOYSA-N 0 0 543.546 4.446 1 0 KIAFRN COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)n2)cc(OC)c1OC ZINC000084596424 562743684 /nfs/dbraw/zinc/74/36/84/562743684.db2.gz AXGLRXAAGNTSJZ-NRFANRHFSA-N 0 0 505.619 4.211 1 0 KIAFRN Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 ZINC000084596561 562743733 /nfs/dbraw/zinc/74/37/33/562743733.db2.gz HXVFGDMHKQJMQN-UHFFFAOYSA-N 0 0 508.022 4.448 1 0 KIAFRN O=C(Cn1ccnn1)N1C[C@@H](Cc2ccc(F)cc2)C[C@@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084596655 562743786 /nfs/dbraw/zinc/74/37/86/562743786.db2.gz YVPVVMYVUCYNPA-RXFWQSSRSA-N 0 0 517.536 4.447 1 0 KIAFRN O=C(Cn1nccn1)N1C[C@H](Cc2ccc(F)cc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084596656 562743782 /nfs/dbraw/zinc/74/37/82/562743782.db2.gz ACUYMTWKMROFBQ-IBVKSMDESA-N 0 0 517.536 4.447 1 0 KIAFRN Cc1nc(N2CCC(N3CCOCC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084596681 562743749 /nfs/dbraw/zinc/74/37/49/562743749.db2.gz FXOJSGMTYREKGV-UHFFFAOYSA-N 0 0 545.562 4.155 1 0 KIAFRN COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc4c(c3)OC(F)(F)O4)nn2)ccc1-n1cnc(C)c1 ZINC000084596715 562743825 /nfs/dbraw/zinc/74/38/25/562743825.db2.gz HGOJJZGHPIDKME-UHFFFAOYSA-N 0 0 550.444 4.365 1 0 KIAFRN Cc1nc(N2CCC(N3CCCS3(=O)=O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084596720 562743827 /nfs/dbraw/zinc/74/38/27/562743827.db2.gz LCGNRPSUFRILES-BJMVGYQFSA-N 0 0 575.613 4.493 1 0 KIAFRN O=C(Cn1cncn1)N1C[C@H](Cc2ccc(F)cc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084596902 562743864 /nfs/dbraw/zinc/74/38/64/562743864.db2.gz DJLRGOWWXNREJY-IBVKSMDESA-N 0 0 517.536 4.447 1 0 KIAFRN O=C(Cn1cncn1)N1C[C@@H](Cc2ccc(F)cc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084596903 562743872 /nfs/dbraw/zinc/74/38/72/562743872.db2.gz DJLRGOWWXNREJY-FNZWTVRRSA-N 0 0 517.536 4.447 1 0 KIAFRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)c4cccnc4)CC3=CC[C@]12O ZINC000084596929 562743856 /nfs/dbraw/zinc/74/38/56/562743856.db2.gz JZFDOHKOKDLBLI-SVXSQCLSSA-N 0 0 595.733 4.244 1 0 KIAFRN COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)c([C@@H](N)CO)o2)c2ccc(C(F)(F)F)nc12 ZINC000084603383 562744130 /nfs/dbraw/zinc/74/41/30/562744130.db2.gz ZNWQASHHYSCVCX-INIZCTEOSA-N 0 0 520.895 4.493 1 0 KIAFRN C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(C)(C)C ZINC000084603387 562744156 /nfs/dbraw/zinc/74/41/56/562744156.db2.gz QENXTKAMWKICNF-HNNXBMFYSA-N 0 0 531.572 4.419 1 0 KIAFRN C[C@@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(C)(C)C ZINC000084603388 562744176 /nfs/dbraw/zinc/74/41/76/562744176.db2.gz QENXTKAMWKICNF-OAHLLOKOSA-N 0 0 531.572 4.419 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084603731 562744196 /nfs/dbraw/zinc/74/41/96/562744196.db2.gz SLNKOWIAWCBJGZ-SFHVURJKSA-N 0 0 542.673 4.367 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084603733 562744207 /nfs/dbraw/zinc/74/42/07/562744207.db2.gz SLNKOWIAWCBJGZ-GOSISDBHSA-N 0 0 542.673 4.367 1 0 KIAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)cc(C(=O)NC2=NC(=O)CS2)c1 ZINC000084615137 562744424 /nfs/dbraw/zinc/74/44/24/562744424.db2.gz MXICWTQJUFSFHD-UHFFFAOYSA-N 0 0 500.598 4.119 1 0 KIAFRN CC(C)[C@H](C(=O)NC1CCN(C(=O)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084615890 562744528 /nfs/dbraw/zinc/74/45/28/562744528.db2.gz GWMCNVZCNBNPNP-GDLZYMKVSA-N 0 0 554.647 4.319 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084615920 562744516 /nfs/dbraw/zinc/74/45/16/562744516.db2.gz JISRCHCXKMPPJP-SFHVURJKSA-N 0 0 542.673 4.367 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084615923 562744506 /nfs/dbraw/zinc/74/45/06/562744506.db2.gz JISRCHCXKMPPJP-GOSISDBHSA-N 0 0 542.673 4.367 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084615925 562744502 /nfs/dbraw/zinc/74/45/02/562744502.db2.gz RIQJIFBZCJKJLX-SFHVURJKSA-N 0 0 542.673 4.367 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4ccncc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084615927 562744542 /nfs/dbraw/zinc/74/45/42/562744542.db2.gz RIQJIFBZCJKJLX-GOSISDBHSA-N 0 0 542.673 4.367 1 0 KIAFRN COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CCN(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616183 562744583 /nfs/dbraw/zinc/74/45/83/562744583.db2.gz FNGBGXPVVBCEGE-YJBOKZPZSA-N 0 0 516.446 4.352 1 0 KIAFRN COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)n2)cc(OC)c1OC ZINC000084616335 562744586 /nfs/dbraw/zinc/74/45/86/562744586.db2.gz BBNXACQTQYOMAC-SFHVURJKSA-N 0 0 512.010 4.432 1 0 KIAFRN CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 ZINC000084616595 562744622 /nfs/dbraw/zinc/74/46/22/562744622.db2.gz ZJWAEMNLDJQLSS-SYZQJQIISA-N 0 0 707.631 4.330 1 0 KIAFRN COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4cccc(Cl)c4)C3)n2)cc(OC)c1OC ZINC000084616837 562744698 /nfs/dbraw/zinc/74/46/98/562744698.db2.gz YBYZNVHZPUSHTD-SFHVURJKSA-N 0 0 512.010 4.432 1 0 KIAFRN COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)n2)cc(OC)c1OC ZINC000084616838 562744726 /nfs/dbraw/zinc/74/47/26/562744726.db2.gz BJOYXJIBLVCOFN-SFHVURJKSA-N 0 0 512.010 4.432 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCCC(C)C)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1 ZINC000084616987 562744718 /nfs/dbraw/zinc/74/47/18/562744718.db2.gz IPYDECLHITWSQH-UHFFFAOYSA-N 0 0 521.695 4.250 1 0 KIAFRN CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(Cl)nc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084617201 562744802 /nfs/dbraw/zinc/74/48/02/562744802.db2.gz ZXHIXJACLZSAGT-UHFFFAOYSA-N 0 0 546.543 4.496 1 0 KIAFRN Cc1nc(N2CCN(C(=O)C(C)C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084617312 562744819 /nfs/dbraw/zinc/74/48/19/562744819.db2.gz TZZOHEWIWJHRCC-UHFFFAOYSA-N 0 0 531.535 4.159 1 0 KIAFRN Cc1nc(N2CCC(N3CCOCC3=O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 ZINC000084617830 562745015 /nfs/dbraw/zinc/74/50/15/562745015.db2.gz NKOTWZZRMWMDNI-RUDMXATFSA-N 0 0 555.557 4.316 1 0 KIAFRN 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4.471 1 0 KIAFRN Cc1cc(C[C@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCCCC2)cc2c[nH]nc21 ZINC000084632005 562745431 /nfs/dbraw/zinc/74/54/31/562745431.db2.gz CQCUUUUUBQFHBT-XMMPIXPASA-N 0 0 542.684 4.471 1 0 KIAFRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)c4ccc(F)nc4)CC3=CC[C@]12O ZINC000084632063 562745494 /nfs/dbraw/zinc/74/54/94/562745494.db2.gz BGIHGXGPAZTHML-WCAZQHQWSA-N 0 0 613.723 4.383 1 0 KIAFRN CCCC(=O)Oc1ccc(NC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1 ZINC000084632115 562745503 /nfs/dbraw/zinc/74/55/03/562745503.db2.gz DBICLIKDNQRKIK-CONSDPRKSA-N 0 0 650.736 4.014 1 0 KIAFRN COc1ccc(CCNC(=O)c2cc(=O)c3c(OCCc4ccc(OC)c(OC)c4)cccc3o2)cc1OC ZINC000084632123 562745466 /nfs/dbraw/zinc/74/54/66/562745466.db2.gz LLCUIAOZTOQYFL-UHFFFAOYSA-N 0 0 533.577 4.421 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632182 562745507 /nfs/dbraw/zinc/74/55/07/562745507.db2.gz VJOYYECZKLYWBV-IBGZPJMESA-N 0 0 556.700 4.045 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccncc4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632185 562745473 /nfs/dbraw/zinc/74/54/73/562745473.db2.gz VJOYYECZKLYWBV-LJQANCHMSA-N 0 0 556.700 4.045 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632192 562745478 /nfs/dbraw/zinc/74/54/78/562745478.db2.gz WTSZLPJRFYTKQX-SFHVURJKSA-N 0 0 545.673 4.243 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)NCc4ccco4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632194 562745484 /nfs/dbraw/zinc/74/54/84/562745484.db2.gz WTSZLPJRFYTKQX-GOSISDBHSA-N 0 0 545.673 4.243 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632799 562745623 /nfs/dbraw/zinc/74/56/23/562745623.db2.gz YVTUFHUULMAJPN-INIZCTEOSA-N 0 0 548.702 4.428 1 0 KIAFRN Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632802 562745637 /nfs/dbraw/zinc/74/56/37/562745637.db2.gz YVTUFHUULMAJPN-MRXNPFEDSA-N 0 0 548.702 4.428 1 0 KIAFRN COCC(=O)NC1CCN(c2nc(C)c3cc(NC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)ccc3n2)CC1 ZINC000084633058 562745678 /nfs/dbraw/zinc/74/56/78/562745678.db2.gz QPPDAMYMXAOOBP-BJMVGYQFSA-N 0 0 543.546 4.220 1 0 KIAFRN NS(=O)(=O)c1ccc(CNc2nc3ccc(-c4ccc(NC(=O)C5CC5)cc4)nc3c(NCC(F)(F)F)n2)cc1 ZINC000084633806 562745783 /nfs/dbraw/zinc/74/57/83/562745783.db2.gz DOCVYUGZJCOCGS-UHFFFAOYSA-N 0 0 571.585 4.274 1 0 KIAFRN Cc1nc(N2CCC(C(=O)NC3CC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084634064 562745837 /nfs/dbraw/zinc/74/58/37/562745837.db2.gz XAQPGFPHOPGQIV-UHFFFAOYSA-N 0 0 543.546 4.349 1 0 KIAFRN Cc1nc(N2CCC(N3CCNC3=O)CC2)nc2ccc(NC(=O)C=Cc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084634122 562745809 /nfs/dbraw/zinc/74/58/09/562745809.db2.gz ZIFGIPYSZZOZKD-RUDMXATFSA-N 0 0 540.546 4.483 1 0 KIAFRN O=C(Cc1cnc[nH]1)N1CCN(Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000084634507 562745924 /nfs/dbraw/zinc/74/59/24/562745924.db2.gz KLPVZJKUPNMUTE-MHZLTWQESA-N 0 0 513.573 4.235 1 0 KIAFRN CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(C(=O)Nc2cc(C)n(C)n2)c1 ZINC000084635009 562746016 /nfs/dbraw/zinc/74/60/16/562746016.db2.gz DGCABLZAVGULFA-UHFFFAOYSA-N 0 0 540.642 4.139 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3cc4ccccc4s3)C[C@@]12C ZINC000084635263 562746154 /nfs/dbraw/zinc/74/61/54/562746154.db2.gz YDSNZRKSDXFLBU-ULPLKVAPSA-N 0 0 526.607 4.132 1 0 KIAFRN CC(=O)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C(\C)C(C)C)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)Cc4ccncc4)CC3=CC[C@]12O ZINC000084635410 562746201 /nfs/dbraw/zinc/74/62/01/562746201.db2.gz KKUYKHJROSUPOB-AZEDBOKFSA-N 0 0 609.760 4.173 1 0 KIAFRN COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C(=O)c3csc4ccccc34)C[C@@]12C ZINC000084635614 562746240 /nfs/dbraw/zinc/74/62/40/562746240.db2.gz JGWKXFYZDYSKQR-GACSAELKSA-N 0 0 526.607 4.132 1 0 KIAFRN Cc1nc(N2CCN(C(=O)C3CCC3)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084635875 562746288 /nfs/dbraw/zinc/74/62/88/562746288.db2.gz CZHSVOUPKZDEAX-UHFFFAOYSA-N 0 0 543.546 4.303 1 0 KIAFRN COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@@]3(C)[C@]4(O)CC[C@@]3(O)C(C)=O)C2)cn1 ZINC000084635886 562746273 /nfs/dbraw/zinc/74/62/73/562746273.db2.gz JQVJHZIEBMUOAA-XHWNVIOJSA-N 0 0 625.759 4.252 1 0 KIAFRN COc1cc2c(cc1-c1c(C)noc1C)ncc(C(N)=O)c2Nc1ccccc1CCN1CCOCC1 ZINC000084635918 562746298 /nfs/dbraw/zinc/74/62/98/562746298.db2.gz ZMSXXNUUWMPXGF-UHFFFAOYSA-N 0 0 501.587 4.232 1 0 KIAFRN CN(C(=O)N1CCC(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)CC1)C1C2CC3CC(C2)CC1C3 ZINC000084636006 562746286 /nfs/dbraw/zinc/74/62/86/562746286.db2.gz USEVDAWMSYMUKI-UHFFFAOYSA-N 0 0 521.083 4.465 1 0 KIAFRN Cc1nc(N2CCC(C(=O)N(C)C)CC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000084636100 562746312 /nfs/dbraw/zinc/74/63/12/562746312.db2.gz BIZJZDNIMGZFMO-UHFFFAOYSA-N 0 0 531.535 4.159 1 0 KIAFRN COc1cc2c(cc1OC(C)=O)[C@@H]1CCc3cc(OC)c(OC)c(OC)c3[C@H]2CN1C(=O)C(F)(F)F ZINC000084651973 562746357 /nfs/dbraw/zinc/74/63/57/562746357.db2.gz FFRUAVLJWOHDOT-IRXDYDNUSA-N 0 0 509.477 4.170 1 0 KIAFRN CC(C)C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(OCCc2c[nH]c3ccccc23)c1)C(=O)[O-] ZINC000084652495 562746575 /nfs/dbraw/zinc/74/65/75/562746575.db2.gz BIPAPNRFHJPDLN-LSYYVWMOSA-N 0 0 572.662 4.233 1 0 KIAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC([C@@](O)(c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000084652616 562746599 /nfs/dbraw/zinc/74/65/99/562746599.db2.gz IGJHXYMMHUIIAE-HHHXNRCGSA-N 0 0 527.687 4.421 1 0 KIAFRN CN(C)S(=O)(=O)c1ccc(NC(=S)N2CCC([C@](O)(c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000084652617 562746632 /nfs/dbraw/zinc/74/66/32/562746632.db2.gz IGJHXYMMHUIIAE-MHZLTWQESA-N 0 0 527.687 4.421 1 0 KIAFRN COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cn3)c2cc1OC ZINC000084652645 562746630 /nfs/dbraw/zinc/74/66/30/562746630.db2.gz PYCPSKNKICEHNC-UHFFFAOYSA-N 0 0 511.538 4.489 1 0 KIAFRN Cc1c(C(=O)NC2CCN(S(N)(=O)=O)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000084652650 562746605 /nfs/dbraw/zinc/74/66/05/562746605.db2.gz HOXJDASGXAAPPB-UHFFFAOYSA-N 0 0 542.876 4.206 1 0 KIAFRN CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1C(F)(F)F ZINC000084652782 562746675 /nfs/dbraw/zinc/74/66/75/562746675.db2.gz JUODSTDXFHWKOP-UBFVSLLYSA-N 0 0 529.603 4.428 1 0 KIAFRN CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1OC(F)(F)F ZINC000084652784 562746663 /nfs/dbraw/zinc/74/66/63/562746663.db2.gz GAVJIQKTQLKVFL-QLBJFCOMSA-N 0 0 545.602 4.308 1 0 KIAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@]23CC[N@H+](Cc2ncccc2C)C[C@H]3C(=O)[O-])ncn1 ZINC000084653148 562746765 /nfs/dbraw/zinc/74/67/65/562746765.db2.gz KKLAEPSPALTSJH-ZOYWYXQUSA-N 0 0 578.629 4.174 1 0 KIAFRN COc1cc(N2C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@]23CC[N@H+](Cc2ncccc2C)C[C@H]3C(=O)[O-])ncn1 ZINC000084653149 562746787 /nfs/dbraw/zinc/74/67/87/562746787.db2.gz 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562751635 /nfs/dbraw/zinc/75/16/35/562751635.db2.gz ACWATKJJUKSZQP-UHFFFAOYSA-N 0 0 521.595 4.247 1 0 KIAFRN COc1ccc(-c2ccc(Nc3cccc(S(=O)(=O)CCN(C)CCc4ccccn4)c3)nc2)cn1 ZINC000084730610 562751657 /nfs/dbraw/zinc/75/16/57/562751657.db2.gz BLZVXFUYPMFZCY-UHFFFAOYSA-N 0 0 503.628 4.239 1 0 KIAFRN O=C(N[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000084731853 562751741 /nfs/dbraw/zinc/75/17/41/562751741.db2.gz CALGPSAPPDHKCP-KYVMEWLFSA-N 0 0 563.448 4.088 1 0 KIAFRN C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000084732978 562751853 /nfs/dbraw/zinc/75/18/53/562751853.db2.gz YQGFARSMJDYNKQ-UHFFFAOYSA-N 0 0 521.595 4.247 1 0 KIAFRN CCCCCC(=O)O[C@@H]1[C@@H](CNC(=O)NC)O[C@@H](n2cnc3c2ncnc3NC(=O)Nc2ccccc2)[C@@H]1OC(=O)CCCCC ZINC000084738709 562751957 /nfs/dbraw/zinc/75/19/57/562751957.db2.gz BQFKPDWIMAPQIY-MGAWLJPUSA-N 0 0 638.726 4.281 1 0 KIAFRN Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(O)cc3)C[C@@H]1[S@@]2=O 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COCCOc1cc2ncnc(Sc3nnc(NC(=O)Nc4cccc(F)c4)s3)c2cc1OCCOC ZINC000084758524 562752680 /nfs/dbraw/zinc/75/26/80/562752680.db2.gz XEHVAGOWCPNPFH-UHFFFAOYSA-N 0 0 546.606 4.466 1 0 KIAFRN COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(c4ccc(O)c(C)c4)=C(c4ccc(O)c(C)c4)[C@@H]2[S@]3=O)cc1 ZINC000084758527 562752671 /nfs/dbraw/zinc/75/26/71/562752671.db2.gz ZMQRFMOYDIDDCD-AWHDXRQWSA-N 0 0 526.632 4.315 1 0 KIAFRN COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3C(c4ccc(O)c(C)c4)=C(c4ccc(O)c(C)c4)[C@@H]2[S@@]3=O)cc1 ZINC000084758528 562752676 /nfs/dbraw/zinc/75/26/76/562752676.db2.gz ZMQRFMOYDIDDCD-DZYQOULYSA-N 0 0 526.632 4.315 1 0 KIAFRN CCOP(=O)(OCC)c1ccc(-c2nc3nc(NC)[nH]c(=O)c3n2CCOc2ccc(Cl)cc2)cc1 ZINC000084758610 562752692 /nfs/dbraw/zinc/75/26/92/562752692.db2.gz XBEXLZNBQGQIAD-UHFFFAOYSA-N 0 0 531.937 4.452 1 0 KIAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C[C@@H](C)O)n(-c3ccccc3)c2=O)nc1 ZINC000084759505 562753001 /nfs/dbraw/zinc/75/30/01/562753001.db2.gz JQKLADMYWZPROY-GOSISDBHSA-N 0 0 525.565 4.325 1 0 KIAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C[C@H](C)O)n(-c3ccccc3)c2=O)nc1 ZINC000084759506 562752976 /nfs/dbraw/zinc/75/29/76/562752976.db2.gz JQKLADMYWZPROY-SFHVURJKSA-N 0 0 525.565 4.325 1 0 KIAFRN C[C@@H](NC(=O)c1cc(NC(=O)CC[C@@](O)(Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000084840419 562753043 /nfs/dbraw/zinc/75/30/43/562753043.db2.gz FDXVDUYPLMZFSW-SUMVERIOSA-N 0 0 698.842 4.040 1 0 KIAFRN COc1ccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1I ZINC000085432725 562753124 /nfs/dbraw/zinc/75/31/24/562753124.db2.gz FOMAOOGWCUXVOC-CYBMUJFWSA-N 0 0 665.003 4.256 1 0 KIAFRN CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](OC(=O)/C=C/c4ccccc4)CC[C@@]3(C)[C@@H](OC(C)=O)[C@H](O)C(=C1C)C2(C)C ZINC000085487088 291828141 /nfs/dbraw/zinc/82/81/41/291828141.db2.gz JRKLDODSWMIKBO-NDWDQUPYSA-N 0 0 624.727 4.329 1 0 biogenic,in-vitro KIAFRN 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822.180 4.159 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@@H](CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000095547588 562758822 /nfs/dbraw/zinc/75/88/22/562758822.db2.gz XNAWXALRYUGAJB-HSGWZQNQSA-N 0 0 822.180 4.159 1 0 KIAFRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@@H](CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000095547589 562758821 /nfs/dbraw/zinc/75/88/21/562758821.db2.gz XNAWXALRYUGAJB-DYXRGMLLSA-N 0 0 822.180 4.159 1 0 KIAFRN CSCCNC(=O)Cn1cc(CN2CCN(c3cc(C(=O)Nc4ccc5c(c4)-c4c(c(C(N)=O)nn4-c4ccc(F)cc4)CC5)c(Cl)cn3)CC2)cn1 ZINC000095547614 562758851 /nfs/dbraw/zinc/75/88/51/562758851.db2.gz VDTBLQKONVMLGH-UHFFFAOYSA-N 0 0 757.296 4.175 1 0 KIAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCc3cn(CCOCCOCCOCCF)nn3)c2)cc1 ZINC000095547742 562758831 /nfs/dbraw/zinc/75/88/31/562758831.db2.gz MNTUQBKGVBUMOH-KXQOOQHDSA-N 0 0 751.761 4.029 1 0 KIAFRN 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ZINC000095548308 562759264 /nfs/dbraw/zinc/75/92/64/562759264.db2.gz CZJPZQYYUBGTRK-MUUNZHRXSA-N 0 0 770.644 4.395 1 0 KIAFRN CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2ccsc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2ccsc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C ZINC000095548316 562759266 /nfs/dbraw/zinc/75/92/66/562759266.db2.gz AJZAPEZJWWQJHC-UWNKZCSISA-N 0 0 778.994 4.110 1 0 in-vivo KIAFRN COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCCNc1cc(C)cc[nH+]1 ZINC000095548910 562759601 /nfs/dbraw/zinc/75/96/01/562759601.db2.gz OMISPTOHCAHRQR-PMERELPUSA-N 0 0 770.824 4.289 1 0 KIAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000095549240 562759869 /nfs/dbraw/zinc/75/98/69/562759869.db2.gz JUJMPZFJVPIGLL-NREVGYPESA-N 0 0 751.925 4.347 1 0 KIAFRN O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2ccn(-c3cccc(C(F)(F)F)c3)c2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095549250 562759841 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/nfs/dbraw/zinc/76/04/65/562760465.db2.gz TZVFBLXCGCHIFW-ZPEYPUEESA-N 0 0 805.059 4.315 1 0 KIAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O ZINC000095551992 562760515 /nfs/dbraw/zinc/76/05/15/562760515.db2.gz HGEAPJQFWJZLFY-HKIDPNTFSA-N 0 0 807.949 4.390 1 0 KIAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC000095551994 562760526 /nfs/dbraw/zinc/76/05/26/562760526.db2.gz HGEAPJQFWJZLFY-QOEXFKEZSA-N 0 0 807.949 4.390 1 0 KIAFRN Cc1nccc2sc(-c3c(C)nc(NCc4c(F)cc(F)cc4F)nc3N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)nc21 ZINC000095552076 562760543 /nfs/dbraw/zinc/76/05/43/562760543.db2.gz AHXGPXIGRQZHSA-REIWIRAVSA-N 0 0 574.629 4.088 1 0 KIAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CCC(C)=O)S(=O)(=O)c1ccc(OC)cc1 ZINC000095552450 562760640 /nfs/dbraw/zinc/76/06/40/562760640.db2.gz RTTWWOXLJHMQHC-KEKPKEOLSA-N 0 0 562.729 4.332 1 0 KIAFRN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)CCN(CC(C)C)C(=O)CN(Cc2cccc3ccccc32)C1=O ZINC000095552666 562760780 /nfs/dbraw/zinc/76/07/80/562760780.db2.gz DCJOHNQFPCMLOS-QCDSWUKFSA-N 0 0 592.781 4.318 1 0 KIAFRN O=C(c1ccc(-c2nc(=O)o[n-]2)cc1)N1CCC([NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095553083 562760867 /nfs/dbraw/zinc/76/08/67/562760867.db2.gz QAXGZLPJWOSHHV-UHFFFAOYSA-N 0 0 517.413 4.485 1 0 KIAFRN Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553187 562760861 /nfs/dbraw/zinc/76/08/61/562760861.db2.gz CZZNTJJSXZNFKL-LJQANCHMSA-N 0 0 520.663 4.484 1 0 KIAFRN CN1CCN(C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000095553704 562761079 /nfs/dbraw/zinc/76/10/79/562761079.db2.gz YNGDZADJXARDMA-NRFANRHFSA-N 0 0 539.301 4.289 1 0 KIAFRN CC(C)(C)n1nnnc1N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c2ncnc3N)CC1 ZINC000095553756 562761083 /nfs/dbraw/zinc/76/10/83/562761083.db2.gz JIGCTBKCGHVXMI-UHFFFAOYSA-N 0 0 601.535 4.099 1 0 KIAFRN COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 ZINC000095554736 562761363 /nfs/dbraw/zinc/76/13/63/562761363.db2.gz VFTGGLHRTWDYRB-JSWXEYCZSA-N 0 0 769.789 4.154 1 0 KIAFRN COc1ccc(OP(=O)(Oc2ccc(OC)cc2)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 ZINC000095554737 562761415 /nfs/dbraw/zinc/76/14/15/562761415.db2.gz VFTGGLHRTWDYRB-MUZHKWOHSA-N 0 0 769.789 4.154 1 0 KIAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1 ZINC000095555422 562761571 /nfs/dbraw/zinc/76/15/71/562761571.db2.gz OWGUNFYZBVTHCK-RRPNLBNLSA-N 0 0 607.770 4.099 1 0 KIAFRN Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC1CCN(C(=O)C2CC2)CC1 ZINC000095555623 562761605 /nfs/dbraw/zinc/76/16/05/562761605.db2.gz SEXLJBIYWSQNIM-UHFFFAOYSA-N 0 0 545.463 4.090 1 0 KIAFRN CCCC(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c2ncnc3N)CC1 ZINC000095555874 562761679 /nfs/dbraw/zinc/76/16/79/562761679.db2.gz KHOBTMHBAMQLRN-UHFFFAOYSA-N 0 0 547.479 4.480 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095556101 562761651 /nfs/dbraw/zinc/76/16/51/562761651.db2.gz HIEJAGUHJSVFNF-VQCQPQSOSA-N 0 0 709.737 4.137 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095556103 562761649 /nfs/dbraw/zinc/76/16/49/562761649.db2.gz HIEJAGUHJSVFNF-PRMIEGHPSA-N 0 0 709.737 4.137 1 0 KIAFRN CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H](C)CC(=O)OC)S(=O)(=O)c1ccc2ncsc2c1 ZINC000095556415 562761779 /nfs/dbraw/zinc/76/17/79/562761779.db2.gz YYMIRMSLYWWSQN-DCEDVJGZSA-N 0 0 591.752 4.127 1 0 KIAFRN Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CS(=O)(=O)C2)c2ccc(N3CCOCC3)cc21 ZINC000095556546 562761760 /nfs/dbraw/zinc/76/17/60/562761760.db2.gz DYLIFUUUVWZNRQ-UHFFFAOYSA-N 0 0 530.625 4.399 1 0 KIAFRN COc1ccc2c(c1)nc(-c1cccc(Oc3ccccc3)c1)c(C(=O)OCCN1CCOCC1)c2O ZINC000095557269 562762102 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673.656 4.136 1 0 KIAFRN CSCC[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095572711 562769470 /nfs/dbraw/zinc/76/94/70/562769470.db2.gz MCZYOHGFKATANK-ZKFSKNKWSA-N 0 0 673.656 4.136 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572771 562769526 /nfs/dbraw/zinc/76/95/26/562769526.db2.gz HYOQGXCEMYPYRN-KRWDZBQOSA-N 0 0 597.610 4.497 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095572772 562769533 /nfs/dbraw/zinc/76/95/33/562769533.db2.gz HYOQGXCEMYPYRN-QGZVFWFLSA-N 0 0 597.610 4.497 1 0 KIAFRN CC(C)c1ccc(-c2ncccc2N2CCN(S(=O)(=O)c3cccc(-c4cnc(N)nc4)c3)CC2)cc1 ZINC000095572937 562769546 /nfs/dbraw/zinc/76/95/46/562769546.db2.gz PHEOLIUHEOTOIE-UHFFFAOYSA-N 0 0 514.655 4.422 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)cc1C ZINC000095572958 562769567 /nfs/dbraw/zinc/76/95/67/562769567.db2.gz GCZMATZWHYCJTH-UHFFFAOYSA-N 0 0 501.992 4.182 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C(=O)OC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095573490 562769738 /nfs/dbraw/zinc/76/97/38/562769738.db2.gz ZEULETIAOMCOPN-YWZLYKJASA-N 0 0 588.624 4.341 1 0 KIAFRN CCNCC(=O)N=[S@](C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000095573536 562769721 /nfs/dbraw/zinc/76/97/21/562769721.db2.gz PJKNMHDTBXESRM-PSXMRANNSA-N 0 0 548.452 4.486 1 0 KIAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@@H](NC(=O)C[NH+](C)C)C[C@@H](c3cccc(F)c3)[C@]1(c1ccc(Br)cc1)O2 ZINC000095573886 562769784 /nfs/dbraw/zinc/76/97/84/562769784.db2.gz LRTOWHTXLPLLQA-PMUGKQPMSA-N 0 0 585.470 4.315 1 0 KIAFRN CCOC(=O)c1c2c(c(C)n1Cc1ccccc1)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 ZINC000095573905 562769793 /nfs/dbraw/zinc/76/97/93/562769793.db2.gz XHCHLUMTIARFIU-UHFFFAOYSA-N 0 0 502.592 4.308 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)Nc3ccc(S(C)(=O)=O)cc3Br)CC2)CC1 ZINC000095573907 562769790 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C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574580 562769993 /nfs/dbraw/zinc/76/99/93/562769993.db2.gz SABHZVVZROODBM-KRWDZBQOSA-N 0 0 597.610 4.497 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2F)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095574581 562770017 /nfs/dbraw/zinc/77/00/17/562770017.db2.gz SABHZVVZROODBM-QGZVFWFLSA-N 0 0 597.610 4.497 1 0 KIAFRN CNCC(=O)N=[S@](C)(=O)c1ccc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000095574685 562770064 /nfs/dbraw/zinc/77/00/64/562770064.db2.gz AYOVSIDOINWGJP-DIPNUNPCSA-N 0 0 564.451 4.104 1 0 KIAFRN COc1ccc(-c2cccc(S(=O)(=O)N3CCN(c4nccnc4-c4ccc(OC)cc4)CC3)c2)cc1 ZINC000095574691 562770052 /nfs/dbraw/zinc/77/00/52/562770052.db2.gz IQVDMFYVPSHFEP-UHFFFAOYSA-N 0 0 516.623 4.339 1 0 in-vitro KIAFRN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](CC(C)C)C(=O)OCc2ccccc2)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)[C@@H](O)[C@@]1(C)O ZINC000095574771 562770097 /nfs/dbraw/zinc/77/00/97/562770097.db2.gz MDIHCCBOJAGUNY-OEGCVEMYSA-N 0 0 797.847 4.047 1 0 KIAFRN Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1NC(=O)c1cccc(Cl)c1 ZINC000095574832 562770084 /nfs/dbraw/zinc/77/00/84/562770084.db2.gz MCTZUHBKNWCGIJ-UHFFFAOYSA-N 0 0 508.383 4.219 1 0 KIAFRN CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095574925 562770142 /nfs/dbraw/zinc/77/01/42/562770142.db2.gz JWTIQBSIQMCAQD-NYDSKATKSA-N 0 0 535.030 4.298 1 0 KIAFRN CCCCCOC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095575121 562770182 /nfs/dbraw/zinc/77/01/82/562770182.db2.gz MHPOHXSIZXXRKT-ITUYKYCOSA-N 0 0 635.626 4.419 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095575301 562770277 /nfs/dbraw/zinc/77/02/77/562770277.db2.gz JTMJWSUVIGJNNC-CABCVRRESA-N 0 0 516.561 4.410 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095575302 562770290 /nfs/dbraw/zinc/77/02/90/562770290.db2.gz JTMJWSUVIGJNNC-GJZGRUSLSA-N 0 0 516.561 4.410 1 0 KIAFRN CC[C@H](C)[C@H](NP(=O)(N[C@H](C(=O)OCc1ccccc1)[C@@H](C)CC)OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3OC)[C@](C)(O)[C@@H]1O)C(=O)OCc1ccccc1 ZINC000095575490 562770329 /nfs/dbraw/zinc/77/03/29/562770329.db2.gz GJRLJRLZJKJQAC-DWBBSKEESA-N 0 0 797.847 4.047 1 0 KIAFRN COc1cc2c(c(OC)c1)[C@]1(O)[C@@H](NC=O)C[C@@H](c3cccc(F)c3)[C@]1(c1ccc(Br)cc1)O2 ZINC000095575649 562770393 /nfs/dbraw/zinc/77/03/93/562770393.db2.gz LKNUGCKHKNWAFN-JWWGNVLFSA-N 0 0 528.374 4.383 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095575806 562770439 /nfs/dbraw/zinc/77/04/39/562770439.db2.gz OZFZESZUSYGADK-MAUKXSAKSA-N 0 0 603.639 4.134 1 0 KIAFRN Cc1cc(C(N)=O)cc(C)c1C[C@H]([NH3+])C(=O)N(Cc1cccc(C(=O)[O-])c1)[C@@H](C)c1nc(-c2ccccc2)c[nH]1 ZINC000095576124 562770537 /nfs/dbraw/zinc/77/05/37/562770537.db2.gz XXEIBHWGDHUTSL-FNZWTVRRSA-N 0 0 539.636 4.150 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095576267 562770591 /nfs/dbraw/zinc/77/05/91/562770591.db2.gz OZFZESZUSYGADK-YJBOKZPZSA-N 0 0 603.639 4.134 1 0 KIAFRN CC(=O)O[C@@H]1/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095576322 562770554 /nfs/dbraw/zinc/77/05/54/562770554.db2.gz GSKSGARIFBGQBN-CWBBMXTJSA-N 0 0 598.689 4.142 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095576329 562770605 /nfs/dbraw/zinc/77/06/05/562770605.db2.gz REZZIDFNLUGTTL-KGLIPLIRSA-N 0 0 502.534 4.020 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095576330 562770644 /nfs/dbraw/zinc/77/06/44/562770644.db2.gz REZZIDFNLUGTTL-KBPBESRZSA-N 0 0 502.534 4.020 1 0 KIAFRN Cc1cc(=O)oc2cc(OCc3nnc(SCCN4CCOCC4)n3-c3ccc(Cl)cc3)ccc12 ZINC000095576464 562770667 /nfs/dbraw/zinc/77/06/67/562770667.db2.gz HMWMYJQDFQIMOY-UHFFFAOYSA-N 0 0 513.019 4.339 1 0 KIAFRN Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](C(=O)Nc2ccc(Br)cc2)N2CC[C@H](O)C2)cc1 ZINC000095576472 562770675 /nfs/dbraw/zinc/77/06/75/562770675.db2.gz VQHGQDXRCOYKQH-VCSVSCOXSA-N 0 0 535.442 4.430 1 0 KIAFRN Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](C(=O)Nc2ccc(Br)cc2)N2CC[C@H](O)C2)cc1 ZINC000095576473 562770680 /nfs/dbraw/zinc/77/06/80/562770680.db2.gz VQHGQDXRCOYKQH-OBFJPGFPSA-N 0 0 535.442 4.430 1 0 KIAFRN CCNC(=O)OCC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 ZINC000095576778 562770736 /nfs/dbraw/zinc/77/07/36/562770736.db2.gz CBBFOFOYZAQDFL-NVVBAYIOSA-N 0 0 515.962 4.221 1 0 KIAFRN CC(C)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCCCC1 ZINC000095576831 562770769 /nfs/dbraw/zinc/77/07/69/562770769.db2.gz ZXHJBKWNQWQRLR-IQDWTPLGSA-N 0 0 633.610 4.171 1 0 KIAFRN CC(C)[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCCCC1 ZINC000095576832 562770741 /nfs/dbraw/zinc/77/07/41/562770741.db2.gz ZXHJBKWNQWQRLR-HHMLSREASA-N 0 0 633.610 4.171 1 0 KIAFRN C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)NCc4ccc(C(F)(F)F)cc4)c3)c3c2ncnc3N)C1 ZINC000095576883 562770773 /nfs/dbraw/zinc/77/07/73/562770773.db2.gz NXUYDVIILRPDTM-OAQYLSRUSA-N 0 0 549.557 4.374 1 0 KIAFRN COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CNC(=O)c2cccc(Cl)c2)ccc1-n1cnc(C)c1 ZINC000095576916 562770811 /nfs/dbraw/zinc/77/08/11/562770811.db2.gz IRTNKWBTUHFICV-ZVANETARSA-N 0 0 506.006 4.464 1 0 KIAFRN CC(C)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095576967 562770814 /nfs/dbraw/zinc/77/08/14/562770814.db2.gz CAOWMMUTVYQGNU-INIZCTEOSA-N 0 0 560.614 4.425 1 0 KIAFRN CC(C)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000095576968 562770797 /nfs/dbraw/zinc/77/07/97/562770797.db2.gz CAOWMMUTVYQGNU-MRXNPFEDSA-N 0 0 560.614 4.425 1 0 KIAFRN CC(C)N[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)NC[C@@H](c2ccccc2)OC1=O ZINC000095577129 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CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(CCC3(O)CCOCC3)cn2)cc1Cl ZINC000095586057 562773845 /nfs/dbraw/zinc/77/38/45/562773845.db2.gz OQYHMFLYTKMGJW-OAQYLSRUSA-N 0 0 536.094 4.310 1 0 KIAFRN CNC(=O)/C=C/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000095586171 562773827 /nfs/dbraw/zinc/77/38/27/562773827.db2.gz MKPKDZCZDLRXHT-RBFHIOEJSA-N 0 0 578.710 4.172 1 0 KIAFRN O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095586175 562773785 /nfs/dbraw/zinc/77/37/85/562773785.db2.gz CTYXKGKESPRRNX-UHFFFAOYSA-N 0 0 513.045 4.443 1 0 KIAFRN COc1ccc(NC[C@@H](O)COc2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1 ZINC000095586561 562773985 /nfs/dbraw/zinc/77/39/85/562773985.db2.gz ATOTXTZZAMVNJJ-HXUWFJFHSA-N 0 0 512.603 4.282 1 0 KIAFRN COc1ccc(NC[C@H](O)COc2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1 ZINC000095586562 562774005 /nfs/dbraw/zinc/77/40/05/562774005.db2.gz ATOTXTZZAMVNJJ-FQEVSTJZSA-N 0 0 512.603 4.282 1 0 KIAFRN C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C5(C)C ZINC000095586820 562774103 /nfs/dbraw/zinc/77/41/03/562774103.db2.gz KJEYALWPYVKAPR-RFIGSTHDSA-N 0 0 618.852 4.119 1 0 KIAFRN CCNC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000095587421 562774294 /nfs/dbraw/zinc/77/42/94/562774294.db2.gz WICPPJCABNPWGG-FWVSZTCYSA-N 0 0 566.699 4.006 1 0 KIAFRN C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1 ZINC000095587528 562774352 /nfs/dbraw/zinc/77/43/52/562774352.db2.gz LEFDHTPNDGQXKD-KUNNGYQLSA-N 0 0 749.865 4.237 1 0 KIAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(N3C[C@H](CNS(=O)(=O)c4ccc(C(F)(F)F)cc4)OC3=O)cc2F)CC1 ZINC000095587839 562774449 /nfs/dbraw/zinc/77/44/49/562774449.db2.gz LNPVAAUJKNPVID-IBGZPJMESA-N 0 0 602.607 4.205 1 0 KIAFRN 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543.469 4.234 1 0 KIAFRN CCc1nc(S(C)(=O)=O)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000095604990 562781318 /nfs/dbraw/zinc/78/13/18/562781318.db2.gz CUOKKAAJXBAYOA-JTHBVZDNSA-N 0 0 548.631 4.345 1 0 KIAFRN COc1cccc(NC(=O)N(C)C[C@@H]2Oc3cc(-c4ccccc4F)ccc3S(=O)(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095605096 562781362 /nfs/dbraw/zinc/78/13/62/562781362.db2.gz FHKZLVPMZFPKNI-VKIDHGPPSA-N 0 0 571.671 4.434 1 0 KIAFRN CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)NC(C)C)OCCCC[C@@H](C)O2 ZINC000095605194 562781421 /nfs/dbraw/zinc/78/14/21/562781421.db2.gz HPPNONYMLIWSNI-QSGNWFJVSA-N 0 0 577.767 4.062 1 0 KIAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)Oc2c(NC(=O)Nc3cccc4ncccc43)cccc2C1=O ZINC000095605260 562781492 /nfs/dbraw/zinc/78/14/92/562781492.db2.gz VOVKKIVGDIUUIF-XASJVRKQSA-N 0 0 675.764 4.191 1 0 KIAFRN O=C(Nc1cccc(C(=O)OCCO)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000095605281 562781483 /nfs/dbraw/zinc/78/14/83/562781483.db2.gz ARHAZJRORQUNEU-UHFFFAOYSA-N 0 0 531.653 4.224 1 0 KIAFRN O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)cc1 ZINC000095605357 562781494 /nfs/dbraw/zinc/78/14/94/562781494.db2.gz WWYPFRDKAZKVBM-LBVMUVSTSA-N 0 0 556.874 4.495 1 0 KIAFRN CN1C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccccc3)CC[C@H]21 ZINC000095605447 562781567 /nfs/dbraw/zinc/78/15/67/562781567.db2.gz JDAZUQWPAJYUSQ-DFZDUAMZSA-N 0 0 531.584 4.165 1 0 KIAFRN COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC ZINC000095605569 562781609 /nfs/dbraw/zinc/78/16/09/562781609.db2.gz SDTZEZIBBCCXPG-CQSZACIVSA-N 0 0 504.830 4.177 1 0 KIAFRN C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)Oc2c(NC(=O)Nc3cccc4cnccc43)cccc2C1=O ZINC000095605605 562781646 /nfs/dbraw/zinc/78/16/46/562781646.db2.gz SEEPCQGAGSGRJV-XASJVRKQSA-N 0 0 675.764 4.191 1 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095605695 562781682 /nfs/dbraw/zinc/78/16/82/562781682.db2.gz TZPMNVZBAPWBQT-OSWQYVSFSA-N 0 0 606.642 4.455 1 0 KIAFRN CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3C(=O)N2C)O1 ZINC000095605709 562781675 /nfs/dbraw/zinc/78/16/75/562781675.db2.gz NZHGLDHYIOXTFE-KJXAQDMKSA-N 0 0 533.547 4.255 1 0 KIAFRN Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncc(/C=C/c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095605728 562781658 /nfs/dbraw/zinc/78/16/58/562781658.db2.gz CPFUBSYWABTSTA-ADGNITELSA-N 0 0 549.693 4.101 1 0 KIAFRN CCc1nc(C(N)=O)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000095605837 562781774 /nfs/dbraw/zinc/78/17/74/562781774.db2.gz MBGJCHYJWNDLDU-NFBKMPQASA-N 0 0 513.564 4.040 1 0 KIAFRN CCc1nc(C(N)=O)c2n1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000095605838 562781753 /nfs/dbraw/zinc/78/17/53/562781753.db2.gz MBGJCHYJWNDLDU-NZQKXSOJSA-N 0 0 513.564 4.040 1 0 KIAFRN CC(C)NC(=O)N[C@H](CO)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 ZINC000095605869 562781771 /nfs/dbraw/zinc/78/17/71/562781771.db2.gz WZWDIEKJTXDSDJ-ZDUSSCGKSA-N 0 0 596.203 4.005 1 0 KIAFRN CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc21)C(C)C)C(=O)NCc1ccccn1 ZINC000095606197 562781945 /nfs/dbraw/zinc/78/19/45/562781945.db2.gz NTAMIJQPYPELJF-BAJKRILQSA-N 0 0 772.988 4.300 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc21)C(C)C)C(=O)NCc1ccccn1 ZINC000095606198 562781947 /nfs/dbraw/zinc/78/19/47/562781947.db2.gz NTAMIJQPYPELJF-CRKZSNTKSA-N 0 0 772.988 4.300 1 0 KIAFRN CN1CCN(C(=O)COc2ccc(C[C@H](CC(=O)CN3C(=O)[C@@H](Cc4ccccc4)C[C@@H]3Cc3ccccc3)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000095606511 562782100 /nfs/dbraw/zinc/78/21/00/562782100.db2.gz PVEVNYZETKUVSH-ZHQQEOCWSA-N 0 0 756.944 4.434 1 0 KIAFRN CN1CCN(C(=O)COc2ccc(C[C@H](CC(=O)CN3C(=O)[C@@H](Cc4ccccc4)C[C@@H]3Cc3ccccc3)C(=O)N[C@H]3c4ccccc4C[C@H]3O)cc2)CC1 ZINC000095606512 562782104 /nfs/dbraw/zinc/78/21/04/562782104.db2.gz PVEVNYZETKUVSH-SXUYQBBFSA-N 0 0 756.944 4.434 1 0 KIAFRN COc1ccccc1CCNC(=O)N[C@@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)N[C@H](CCCC[NH3+])C(=O)NCCc1ccccc1 ZINC000095606756 562782392 /nfs/dbraw/zinc/78/23/92/562782392.db2.gz DHTVEQNFBKOXKZ-IZLXSDGUSA-N 0 0 747.529 4.352 1 0 KIAFRN COC(=O)NCc1ccc(Oc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cc1 ZINC000095606836 562782475 /nfs/dbraw/zinc/78/24/75/562782475.db2.gz PIZZDTWABRGEJH-DDRLJDNISA-N 0 0 755.843 4.170 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(Oc2ccc(CN3CCOCC3)cc2)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000095606874 562782494 /nfs/dbraw/zinc/78/24/94/562782494.db2.gz XPRGWIGOEHLZST-LZJGKGRYSA-N 0 0 767.898 4.146 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 ZINC000095607027 562782583 /nfs/dbraw/zinc/78/25/83/562782583.db2.gz RYQQVELPCBULDJ-IWITZMJESA-N 0 0 573.694 4.496 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN1C(=O)CSc2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1ccnc1 ZINC000095607229 562782683 /nfs/dbraw/zinc/78/26/83/562782683.db2.gz IFRIKYZYDZSYCR-SZHYKVQFSA-N 0 0 817.070 4.168 1 0 KIAFRN O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)[N-][n+]2ccc3ccccc3c2)cc1 ZINC000095607289 562782721 /nfs/dbraw/zinc/78/27/21/562782721.db2.gz IYLDFGXTNQSFHI-UHFFFAOYSA-O 0 0 500.585 4.075 1 0 KIAFRN CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NCC(F)=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]21C ZINC000095607349 562782752 /nfs/dbraw/zinc/78/27/52/562782752.db2.gz VIJASYUAVLYQLR-JDBCPRHSSA-N 0 0 845.000 4.211 1 0 KIAFRN CC(=O)Nn1c(Cc2csc(NC(=O)c3ccccc3)n2)nnc1SCSc1nnc(Cc2csc(NC(=O)c3ccccc3)n2)n1NC(C)=O ZINC000095607373 562782782 /nfs/dbraw/zinc/78/27/82/562782782.db2.gz WWNYYKFWFGFOAR-UHFFFAOYSA-N 0 0 760.913 4.491 1 0 KIAFRN CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CNCCN2C(=O)OC(C)(C)C)CC1 ZINC000095607662 562783017 /nfs/dbraw/zinc/78/30/17/562783017.db2.gz AUJXVLHOWUBHBM-IZLXSDGUSA-N 0 0 643.845 4.166 1 0 KIAFRN CC(=O)O/C1=C(\C)[C@@H](O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](OC(C)=O)[C@]2(OC(C)=O)[C@H](OC(C)=O)/C(C)=C/CC(C)(C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095607673 562783004 /nfs/dbraw/zinc/78/30/04/562783004.db2.gz VHVWVRBTSYPBMM-BRMPENDESA-N 0 0 758.814 4.081 1 0 KIAFRN CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC1=O ZINC000095607730 562783059 /nfs/dbraw/zinc/78/30/59/562783059.db2.gz XGKZLLVAAQZXGR-AKHKZFQHSA-N 0 0 782.983 4.050 1 0 KIAFRN CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCc2ccccc2)CC(=O)N[C@@H](CCCC[NH3+])CC(=O)NCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095607741 562783101 /nfs/dbraw/zinc/78/31/01/562783101.db2.gz TTYGGUSGUITTCQ-OEZLWVFVSA-N 0 0 813.791 4.235 1 0 KIAFRN CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCc2ccccc2)CC(=O)N[C@@H](CCCC[NH3+])CC(=O)NCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095607742 562783095 /nfs/dbraw/zinc/78/30/95/562783095.db2.gz TTYGGUSGUITTCQ-AJKBGCORSA-N 0 0 813.791 4.235 1 0 KIAFRN CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@@H]1C(=O)NCc1cccc(I)c1)C(C)(C)C)c1ccccc1 ZINC000095607798 562783113 /nfs/dbraw/zinc/78/31/13/562783113.db2.gz WRBONLFPDFTFAS-AGGIAQGOSA-N 0 0 841.813 4.084 1 0 KIAFRN CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1cccc(I)c1)C(C)(C)C)c1ccccc1 ZINC000095607799 562783134 /nfs/dbraw/zinc/78/31/34/562783134.db2.gz WRBONLFPDFTFAS-IJLINHMISA-N 0 0 841.813 4.084 1 0 KIAFRN CC[C@H](C)O[C@@]12CCC(=O)O[C@@H]1[C@H]1[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)C(C)=CCC(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(=O)C(C)C ZINC000095607804 562783110 /nfs/dbraw/zinc/78/31/10/562783110.db2.gz URBXMADMABLVSD-SNRDEULQSA-N 0 0 794.888 4.054 1 0 KIAFRN O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccccc1 ZINC000095607899 562783213 /nfs/dbraw/zinc/78/32/13/562783213.db2.gz AYTIQMDUSGIKIT-FTBITJBVSA-N 0 0 730.576 4.064 1 0 KIAFRN CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCCC[NH3+])CC(=O)N[C@@H](CCc2ccccc2)CC(=O)NCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095608050 562783294 /nfs/dbraw/zinc/78/32/94/562783294.db2.gz UFEHWGAPHUOUOM-OEZLWVFVSA-N 0 0 813.791 4.235 1 0 KIAFRN CCOC(=O)C1=C(C)N(CCCC(=O)N[C@@H](CCCC[NH3+])CC(=O)N[C@@H](CCc2ccccc2)CC(=O)NCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095608051 562783289 /nfs/dbraw/zinc/78/32/89/562783289.db2.gz UFEHWGAPHUOUOM-AJKBGCORSA-N 0 0 813.791 4.235 1 0 KIAFRN CSC[C@H](NC(=O)COc1cccc(Nc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000095608060 562783330 /nfs/dbraw/zinc/78/33/30/562783330.db2.gz KAHOVIZPKWWDDX-GCELDIMASA-N 0 0 812.027 4.200 1 0 in-vivo KIAFRN CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccn1)C(C)C ZINC000095608465 562783552 /nfs/dbraw/zinc/78/35/52/562783552.db2.gz GLVORTHGVAFGPB-PLXHNDKISA-N 0 0 757.936 4.088 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095608815 562783732 /nfs/dbraw/zinc/78/37/32/562783732.db2.gz SSHHMZGLDXLYQH-XFQWPLCWSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000095608816 562783737 /nfs/dbraw/zinc/78/37/37/562783737.db2.gz SSHHMZGLDXLYQH-BMPTZRATSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000095608817 562783722 /nfs/dbraw/zinc/78/37/22/562783722.db2.gz SSHHMZGLDXLYQH-IMKBVMFZSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(N)=O ZINC000095608818 562783736 /nfs/dbraw/zinc/78/37/36/562783736.db2.gz SSHHMZGLDXLYQH-PUPDPRJKSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095608852 562783769 /nfs/dbraw/zinc/78/37/69/562783769.db2.gz KVGUDDLSFDAMQV-QGBCWPEESA-N 0 0 796.970 4.498 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095608853 562783761 /nfs/dbraw/zinc/78/37/61/562783761.db2.gz KVGUDDLSFDAMQV-LIVOIKKVSA-N 0 0 796.970 4.498 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095608854 562783768 /nfs/dbraw/zinc/78/37/68/562783768.db2.gz KVGUDDLSFDAMQV-KVBYWJEESA-N 0 0 796.970 4.498 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095608855 562783758 /nfs/dbraw/zinc/78/37/58/562783758.db2.gz KVGUDDLSFDAMQV-PDHQKIGBSA-N 0 0 796.970 4.498 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095608898 562783771 /nfs/dbraw/zinc/78/37/71/562783771.db2.gz JMEFEBIKVXSKRO-QGBCWPEESA-N 0 0 796.970 4.450 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095608899 562783795 /nfs/dbraw/zinc/78/37/95/562783795.db2.gz JMEFEBIKVXSKRO-LIVOIKKVSA-N 0 0 796.970 4.450 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095608900 562783774 /nfs/dbraw/zinc/78/37/74/562783774.db2.gz JMEFEBIKVXSKRO-KVBYWJEESA-N 0 0 796.970 4.450 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CCC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095608901 562783773 /nfs/dbraw/zinc/78/37/73/562783773.db2.gz JMEFEBIKVXSKRO-PDHQKIGBSA-N 0 0 796.970 4.450 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095609565 562783836 /nfs/dbraw/zinc/78/38/36/562783836.db2.gz ONWSWWKTIWJYHM-PUPDPRJKSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095609566 562783820 /nfs/dbraw/zinc/78/38/20/562783820.db2.gz ONWSWWKTIWJYHM-BMPTZRATSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095609567 562783840 /nfs/dbraw/zinc/78/38/40/562783840.db2.gz ONWSWWKTIWJYHM-IMKBVMFZSA-N 0 0 782.943 4.060 1 0 KIAFRN Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000095609568 562783824 /nfs/dbraw/zinc/78/38/24/562783824.db2.gz ONWSWWKTIWJYHM-XFQWPLCWSA-N 0 0 782.943 4.060 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)cc1 ZINC000095609597 562783877 /nfs/dbraw/zinc/78/38/77/562783877.db2.gz CRSBLGVQVRTNCO-TYTTVVLSSA-N 0 0 767.924 4.270 1 0 KIAFRN COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)(C)C)cc1 ZINC000095609605 562783857 /nfs/dbraw/zinc/78/38/57/562783857.db2.gz AEJMIBHXONFIJT-SZSCFNLPSA-N 0 0 760.936 4.056 1 0 KIAFRN 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CNC(=O)c1c2cc(C3CC3)c(N(CCN3CCOCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 ZINC000096174170 562791752 /nfs/dbraw/zinc/79/17/52/562791752.db2.gz SHTFLWGXAKRVFU-UHFFFAOYSA-N 0 0 607.708 4.292 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(C)=O)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1 ZINC000096174172 562791754 /nfs/dbraw/zinc/79/17/54/562791754.db2.gz GDFKILQECCBXRF-UHFFFAOYSA-N 0 0 592.697 4.437 1 0 KIAFRN CCN(c1cc2nn(-c3ccc(Oc4ccc(F)cc4)nc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174174 562791739 /nfs/dbraw/zinc/79/17/39/562791739.db2.gz DTNILBMMHPGHBT-UHFFFAOYSA-N 0 0 523.590 4.375 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccoc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174176 562791741 /nfs/dbraw/zinc/79/17/41/562791741.db2.gz ZYZDQAZVDBMGSC-UHFFFAOYSA-N 0 0 614.522 4.204 1 0 KIAFRN CCCC(=O)NCCCN(c1cc2nn(-c3ccc(Br)cc3)c(C(=O)NC)c2cc1C1CC1)S(C)(=O)=O ZINC000096174179 562791740 /nfs/dbraw/zinc/79/17/40/562791740.db2.gz VVQAAUSRRGGPGO-UHFFFAOYSA-N 0 0 590.544 4.097 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3ccnc(OC)c3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174183 562791751 /nfs/dbraw/zinc/79/17/51/562791751.db2.gz DZMRCMHSQVCXTD-UHFFFAOYSA-N 0 0 655.575 4.015 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccnc3OC)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174187 562791797 /nfs/dbraw/zinc/79/17/97/562791797.db2.gz PBZBVEIDRQZFPL-UHFFFAOYSA-N 0 0 655.575 4.015 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)c3cccnc3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174188 562791800 /nfs/dbraw/zinc/79/18/00/562791800.db2.gz DPLBSVCORAUCFV-UHFFFAOYSA-N 0 0 625.549 4.006 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCC3COC(C)(C)OC3)S(C)(=O)=O)cc2nn1-c1ccc(Cl)cc1 ZINC000096174192 562791799 /nfs/dbraw/zinc/79/17/99/562791799.db2.gz XIVMXDOFOYLGGG-UHFFFAOYSA-N 0 0 561.104 4.471 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCO)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccccc2F)cc1 ZINC000096174195 562791775 /nfs/dbraw/zinc/79/17/75/562791775.db2.gz FVVXCZIKZPZTOU-UHFFFAOYSA-N 0 0 551.644 4.294 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1 ZINC000096174198 562791814 /nfs/dbraw/zinc/79/18/14/562791814.db2.gz OQZURKZHRBUEEO-UHFFFAOYSA-N 0 0 602.555 4.097 1 0 KIAFRN CCCS(=O)(=O)Nc1cccc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl ZINC000096174604 562791815 /nfs/dbraw/zinc/79/18/15/562791815.db2.gz PBBVBMHRDGDRRA-AWEZNQCLSA-N 0 0 548.069 4.373 1 0 KIAFRN CC(C)(C)CC(=O)N1CCN(c2ccc(-c3nc(C4(c5ccc(-c6cnc(N)nc6)nc5)CCC4)no3)cn2)CC1 ZINC000096175587 562791876 /nfs/dbraw/zinc/79/18/76/562791876.db2.gz WSGWRYWYKXLIKE-UHFFFAOYSA-N 0 0 553.671 4.121 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2C)cc1Nc1ncnc2ccc(N3CCOCC3)nc21 ZINC000096175721 562791928 /nfs/dbraw/zinc/79/19/28/562791928.db2.gz WKRKBIAJAFUSOI-UHFFFAOYSA-N 0 0 500.607 4.197 1 0 KIAFRN C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CCCNS(C)(=O)=O)(c2ccc(F)cc2)OC1=O ZINC000096178510 562792699 /nfs/dbraw/zinc/79/26/99/562792699.db2.gz TXGOQAVJHHSIHI-WTYVLRPYSA-N 0 0 541.645 4.320 1 0 KIAFRN C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CCCNS(C)(=O)=O)(c2ccccc2)OC1=O ZINC000096178512 562792700 /nfs/dbraw/zinc/79/27/00/562792700.db2.gz YLYGOGOINFCFEB-RBTNQOKQSA-N 0 0 523.655 4.181 1 0 KIAFRN C[C@@H](Oc1c[nH]c(=O)c(C(=O)Nc2ccc(N3CCOCC3)nc2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258154 562792855 /nfs/dbraw/zinc/79/28/55/562792855.db2.gz XJLDZCKVYGABML-CYBMUJFWSA-N 0 0 507.349 4.445 1 0 KIAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(=O)C(C)C ZINC000096258626 562792908 /nfs/dbraw/zinc/79/29/08/562792908.db2.gz CPKOQEWIEAGOLE-GGOITNCBSA-N 0 0 611.688 4.391 1 0 KIAFRN CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C(C)C ZINC000096258634 562792914 /nfs/dbraw/zinc/79/29/14/562792914.db2.gz VGELTAVHRPURPG-GGOITNCBSA-N 0 0 611.688 4.391 1 0 KIAFRN COc1ccc(C(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096258653 562792945 /nfs/dbraw/zinc/79/29/45/562792945.db2.gz QOSZUVFISSPGCO-UHFFFAOYSA-N 0 0 526.597 4.254 1 0 KIAFRN Cc1nc(Nc2cc(-c3ccc(CNC(=O)Nc4cc(C(C)(C)C)on4)cc3)[nH]n2)cc(N2CCN(C)CC2)n1 ZINC000096270646 562793293 /nfs/dbraw/zinc/79/32/93/562793293.db2.gz CTKQPPMTGQKFRE-UHFFFAOYSA-N 0 0 544.664 4.278 1 0 KIAFRN O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)n[nH]2)cc1)Nc1ccccc1 ZINC000096270655 562793283 /nfs/dbraw/zinc/79/32/83/562793283.db2.gz KABXDGRHTDMABC-UHFFFAOYSA-N 0 0 540.624 4.362 1 0 KIAFRN CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+]CCCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270838 562793424 /nfs/dbraw/zinc/79/34/24/562793424.db2.gz WKJPADKIKWPORS-KAYWLYCHSA-N 0 0 502.677 4.455 1 0 KIAFRN CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[NH2+]C(C)(C)C(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270848 562793392 /nfs/dbraw/zinc/79/33/92/562793392.db2.gz URBUJKIUQXHCNX-SHQCIBLASA-N 0 0 502.677 4.453 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270925 562793524 /nfs/dbraw/zinc/79/35/24/562793524.db2.gz QBCITRXUVWOHQC-ZDUSSCGKSA-N 0 0 503.518 4.210 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270926 562793538 /nfs/dbraw/zinc/79/35/38/562793538.db2.gz QBCITRXUVWOHQC-CYBMUJFWSA-N 0 0 503.518 4.210 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270927 562793556 /nfs/dbraw/zinc/79/35/56/562793556.db2.gz YPUYKRCDAKESFQ-WWGRRREGSA-N 0 0 503.518 4.066 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC[C@@H]1C[C@H]1C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270928 562793516 /nfs/dbraw/zinc/79/35/16/562793516.db2.gz YPUYKRCDAKESFQ-IOASZLSFSA-N 0 0 503.518 4.066 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270946 562793608 /nfs/dbraw/zinc/79/36/08/562793608.db2.gz FUSMCWDQAUYKLV-ZDUSSCGKSA-N 0 0 503.518 4.352 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270947 562793574 /nfs/dbraw/zinc/79/35/74/562793574.db2.gz FUSMCWDQAUYKLV-CYBMUJFWSA-N 0 0 503.518 4.352 1 0 KIAFRN CC(C)CCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270958 562793594 /nfs/dbraw/zinc/79/35/94/562793594.db2.gz QKXMMABREWXBLA-AWEZNQCLSA-N 0 0 505.534 4.456 1 0 KIAFRN CC(C)CCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270959 562793614 /nfs/dbraw/zinc/79/36/14/562793614.db2.gz QKXMMABREWXBLA-CQSZACIVSA-N 0 0 505.534 4.456 1 0 KIAFRN CC/C=C\COc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270970 562793584 /nfs/dbraw/zinc/79/35/84/562793584.db2.gz AJNPMMIHPCZJOS-GXMNPTEKSA-N 0 0 503.518 4.376 1 0 KIAFRN CC/C=C\COc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270971 562793606 /nfs/dbraw/zinc/79/36/06/562793606.db2.gz AJNPMMIHPCZJOS-GEXIGZQTSA-N 0 0 503.518 4.376 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccncc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270986 562793640 /nfs/dbraw/zinc/79/36/40/562793640.db2.gz SPHUOBGEKAREHH-AWEZNQCLSA-N 0 0 526.512 4.005 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccncc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270987 562793648 /nfs/dbraw/zinc/79/36/48/562793648.db2.gz SPHUOBGEKAREHH-CQSZACIVSA-N 0 0 526.512 4.005 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270988 562793638 /nfs/dbraw/zinc/79/36/38/562793638.db2.gz HELSETHSRJBAEC-AWEZNQCLSA-N 0 0 526.512 4.005 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccnc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270989 562793661 /nfs/dbraw/zinc/79/36/61/562793661.db2.gz HELSETHSRJBAEC-CQSZACIVSA-N 0 0 526.512 4.005 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccn1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270990 562793672 /nfs/dbraw/zinc/79/36/72/562793672.db2.gz TYAOZSWWMNYVFU-AWEZNQCLSA-N 0 0 526.512 4.005 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccccn1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270991 562793656 /nfs/dbraw/zinc/79/36/56/562793656.db2.gz TYAOZSWWMNYVFU-CQSZACIVSA-N 0 0 526.512 4.005 1 0 KIAFRN COc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271828 562793895 /nfs/dbraw/zinc/79/38/95/562793895.db2.gz CSOBROVYJLLXAQ-UHFFFAOYSA-N 0 0 556.663 4.254 1 0 KIAFRN O=C(CN1CCN(CCCOc2ccc3ccc(=O)oc3c2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271837 562793926 /nfs/dbraw/zinc/79/39/26/562793926.db2.gz BQPITAWTQRMCJX-UHFFFAOYSA-N 0 0 526.637 4.245 1 0 KIAFRN Cc1cc(=O)oc2cc(OCCN3CCN(CC(=O)Nc4c5ccccc5nc5c4CCCC5)CC3)ccc12 ZINC000096271842 562793936 /nfs/dbraw/zinc/79/39/36/562793936.db2.gz RFIJTJVQDQTLEV-UHFFFAOYSA-N 0 0 526.637 4.164 1 0 KIAFRN C[C@@H](Oc1c2occ(C3=CCN(S(N)(=O)=O)CC3)c2cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096273058 562794386 /nfs/dbraw/zinc/79/43/86/562794386.db2.gz SOFIJJPAHAAJKO-SNVBAGLBSA-N 0 0 501.367 4.289 1 0 KIAFRN COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCCc4ccccc43)C2=O)cc(OC)c1 ZINC000096273437 562794500 /nfs/dbraw/zinc/79/45/00/562794500.db2.gz 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/nfs/dbraw/zinc/80/09/35/562800935.db2.gz WKDJFIOLEVAHHP-SFQRKCPESA-N 0 0 597.661 4.130 1 0 KIAFRN COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(O[N+](=O)[O-])c3)nn2)c1 ZINC000096915053 562800928 /nfs/dbraw/zinc/80/09/28/562800928.db2.gz DBCSMWXELNORFO-UHFFFAOYSA-N 0 0 567.558 4.175 1 0 KIAFRN CCOc1cc(C(C)(C)C)ccc1C1=N[C@H](c2ccccc2)CN1C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC000096916555 562801237 /nfs/dbraw/zinc/80/12/37/562801237.db2.gz VIDVAGMQKWXANW-SANMLTNESA-N 0 0 554.757 4.359 1 0 KIAFRN CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccccc2)CN1C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC000096916557 562801222 /nfs/dbraw/zinc/80/12/22/562801222.db2.gz VIDVAGMQKWXANW-AREMUKBSSA-N 0 0 554.757 4.359 1 0 KIAFRN COc1cc(C(=O)c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 ZINC000096921757 562801507 /nfs/dbraw/zinc/80/15/07/562801507.db2.gz TZAJCEXTXFOWRG-UHFFFAOYSA-N 0 0 557.559 4.056 1 0 KIAFRN O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2ccc(C(F)(F)F)nc2)CCCCC1 ZINC000096921959 562801601 /nfs/dbraw/zinc/80/16/01/562801601.db2.gz BJGHIEXRTMWJNV-UHFFFAOYSA-N 0 0 526.559 4.161 1 0 KIAFRN CCN(CC)[C@H](c1nnnn1CCN1CCOCC1)c1cccc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000096922027 562801653 /nfs/dbraw/zinc/80/16/53/562801653.db2.gz UZAASNDXCLSLTA-SANMLTNESA-N 0 0 521.069 4.382 1 0 KIAFRN CCN(CC)[C@@H](c1nnnn1CCN1CCOCC1)c1cccc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000096922028 562801671 /nfs/dbraw/zinc/80/16/71/562801671.db2.gz UZAASNDXCLSLTA-AREMUKBSSA-N 0 0 521.069 4.382 1 0 KIAFRN Clc1ccc2c(c1)nccc2Nc1cccc([C@@H](c2nnnn2CCN2CCOCC2)N2CCCC2)c1 ZINC000096922029 562801649 /nfs/dbraw/zinc/80/16/49/562801649.db2.gz YRJITKZULLIYQJ-SANMLTNESA-N 0 0 519.053 4.136 1 0 KIAFRN Clc1ccc2c(c1)nccc2Nc1cccc([C@H](c2nnnn2CCN2CCOCC2)N2CCCC2)c1 ZINC000096922030 562801659 /nfs/dbraw/zinc/80/16/59/562801659.db2.gz YRJITKZULLIYQJ-AREMUKBSSA-N 0 0 519.053 4.136 1 0 KIAFRN O=c1oc2cc(OCCN3CCOCC3)ccc2c(-c2ccc(OCCN3CCOCC3)cc2)c1-c1ccc(OCCN2CCOCC2)cc1 ZINC000096922057 562801658 /nfs/dbraw/zinc/80/16/58/562801658.db2.gz DYGHNVOLZBAZEM-UHFFFAOYSA-N 0 0 685.818 4.260 1 0 KIAFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 ZINC000096922108 562801672 /nfs/dbraw/zinc/80/16/72/562801672.db2.gz FHQBRVCVSGSPFU-BDYUSTAISA-N 0 0 516.623 4.311 1 0 KIAFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 ZINC000096922109 562801647 /nfs/dbraw/zinc/80/16/47/562801647.db2.gz FHQBRVCVSGSPFU-VPUSJEBWSA-N 0 0 516.623 4.311 1 0 KIAFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(CN3CCN(C(C)=O)CC3)C2=O)cc1 ZINC000096922110 562801674 /nfs/dbraw/zinc/80/16/74/562801674.db2.gz CFNJYCBXWGZAKT-LMSSTIIKSA-N 0 0 557.676 4.143 1 0 KIAFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(CN3CCN(C(C)=O)CC3)C2=O)cc1 ZINC000096922111 562801667 /nfs/dbraw/zinc/80/16/67/562801667.db2.gz CFNJYCBXWGZAKT-YTMVLYRLSA-N 0 0 557.676 4.143 1 0 KIAFRN COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccc(NCCN5CCOCC5)cc43)n2)cc1 ZINC000096922259 562801775 /nfs/dbraw/zinc/80/17/75/562801775.db2.gz LBQCVOIEKMYCHV-DEOSSOPVSA-N 0 0 573.723 4.011 1 0 KIAFRN COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccc(NCCN5CCOCC5)cc43)n2)cc1 ZINC000096922260 562801765 /nfs/dbraw/zinc/80/17/65/562801765.db2.gz LBQCVOIEKMYCHV-XMMPIXPASA-N 0 0 573.723 4.011 1 0 KIAFRN COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccc(NC(C)=O)cc43)n2)cc1 ZINC000096922261 562801783 /nfs/dbraw/zinc/80/17/83/562801783.db2.gz KAQMYECUVQAWDB-HXUWFJFHSA-N 0 0 502.600 4.226 1 0 KIAFRN COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccc(NC(C)=O)cc43)n2)cc1 ZINC000096922262 562801768 /nfs/dbraw/zinc/80/17/68/562801768.db2.gz KAQMYECUVQAWDB-FQEVSTJZSA-N 0 0 502.600 4.226 1 0 KIAFRN COc1ccc(CC(=O)Oc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1OC ZINC000096922530 562801868 /nfs/dbraw/zinc/80/18/68/562801868.db2.gz JHTUBUHJKJYRJF-XZOQPEGZSA-N 0 0 550.604 4.452 1 0 KIAFRN COc1ccc(OC)c(-c2cc(C3=Nc4c(C(C)(C)C)nn(CCCO)c4C(=O)NC3)ccc2OC)c1 ZINC000096922854 562801894 /nfs/dbraw/zinc/80/18/94/562801894.db2.gz FFXCTKWFKAXTNX-UHFFFAOYSA-N 0 0 506.603 4.120 1 0 KIAFRN COc1ccc(-c2cc(C3=Nc4c(C(C)(C)C)nn(CCCO)c4C(=O)NC3)ccc2OC)c(OC)c1 ZINC000096922855 562801895 /nfs/dbraw/zinc/80/18/95/562801895.db2.gz RWWFHFRPVDTCEA-UHFFFAOYSA-N 0 0 506.603 4.120 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922984 562801966 /nfs/dbraw/zinc/80/19/66/562801966.db2.gz ILXCKVJJYPFRLN-QFIPXVFZSA-N 0 0 538.670 4.362 1 0 KIAFRN CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000096922985 562801939 /nfs/dbraw/zinc/80/19/39/562801939.db2.gz ILXCKVJJYPFRLN-JOCHJYFZSA-N 0 0 538.670 4.362 1 0 KIAFRN Cc1ccc(NC(=O)c2ccc(CN3CCN(C=O)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000096923484 562802093 /nfs/dbraw/zinc/80/20/93/562802093.db2.gz PFQIGKMFNNGGPR-UHFFFAOYSA-N 0 0 507.598 4.117 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1)OCc1ccccc1 ZINC000096923740 562802195 /nfs/dbraw/zinc/80/21/95/562802195.db2.gz FBLUGKNIULNKCU-HVCNVCAESA-N 0 0 570.671 4.028 1 0 KIAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1[C@@H](C)[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000096923804 562802188 /nfs/dbraw/zinc/80/21/88/562802188.db2.gz PAKASEUKKJIELB-WNAJBHGXSA-N 0 0 577.722 4.147 1 0 KIAFRN CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1[C@H](C)[C@@H](CCc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000096923806 562802178 /nfs/dbraw/zinc/80/21/78/562802178.db2.gz PAKASEUKKJIELB-KAXOTDDTSA-N 0 0 577.722 4.147 1 0 KIAFRN CCO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)C[C@]4(O)C(=O)[C@@]13C)C2(C)C ZINC000096927191 562802594 /nfs/dbraw/zinc/80/25/94/562802594.db2.gz XVNRBRPKDLUHBD-NBVFPQDOSA-N 0 0 510.671 4.426 1 0 KIAFRN CC1(C)CC[C@]2(C(=O)O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096927755 562802672 /nfs/dbraw/zinc/80/26/72/562802672.db2.gz YGAFHINWWWEPHN-SVJXHPCQSA-N 0 0 604.825 4.102 1 0 KIAFRN 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ZINC000096928576 562802941 /nfs/dbraw/zinc/80/29/41/562802941.db2.gz BHZCEYYBBWVIGN-HVCNVCAESA-N 0 0 592.718 4.354 1 0 KIAFRN COc1ccccc1-c1cnc(C(=O)[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)s1 ZINC000096928577 562802925 /nfs/dbraw/zinc/80/29/25/562802925.db2.gz DPCZNNZUUVDRLP-XWGVYQGASA-N 0 0 592.718 4.354 1 0 KIAFRN COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccc(N5CCOCC5)cc43)n2)cc1 ZINC000096928807 562802962 /nfs/dbraw/zinc/80/29/62/562802962.db2.gz SQBWSWXJNIWZPO-QFIPXVFZSA-N 0 0 530.654 4.104 1 0 KIAFRN COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccc(N5CCOCC5)cc43)n2)cc1 ZINC000096928808 562802983 /nfs/dbraw/zinc/80/29/83/562802983.db2.gz SQBWSWXJNIWZPO-JOCHJYFZSA-N 0 0 530.654 4.104 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCC[C@H]3O[C@@H]4OCCC[C@@H]4[C@H]32)cc1 ZINC000096929775 562803126 /nfs/dbraw/zinc/80/31/26/562803126.db2.gz DEDWYHXOPMETPS-BTZPPBCFSA-N 0 0 630.804 4.361 1 0 KIAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F ZINC000096930114 562803211 /nfs/dbraw/zinc/80/32/11/562803211.db2.gz ZWFASLVCIYKVPI-HKBQPEDESA-N 0 0 626.714 4.193 1 0 KIAFRN COC(=O)c1sccc1S(=O)(=O)n1cnc2c1c(OC)ccc2-c1ocnc1-c1cc(OC)c(OC)c(OC)c1 ZINC000096931669 562803293 /nfs/dbraw/zinc/80/32/93/562803293.db2.gz GNJGGVKKJPWSBJ-UHFFFAOYSA-N 0 0 585.616 4.478 1 0 KIAFRN CCOC(=O)Cn1c2cc(Cl)ccc2n(C2CCN([C@@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933799 562803709 /nfs/dbraw/zinc/80/37/09/562803709.db2.gz VZFFKWCIVDCROW-OAQYLSRUSA-N 0 0 514.022 4.361 1 0 KIAFRN CCOC(=O)Cn1c2cc(Cl)ccc2n(C2CCN([C@H]3CCc4cc(OC)c(OC)cc43)CC2)c1=O ZINC000096933800 562803692 /nfs/dbraw/zinc/80/36/92/562803692.db2.gz VZFFKWCIVDCROW-NRFANRHFSA-N 0 0 514.022 4.361 1 0 KIAFRN NS(=O)(=O)c1cccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c1 ZINC000096934386 562803836 /nfs/dbraw/zinc/80/38/36/562803836.db2.gz XHSSGAPPAGRSDR-UHFFFAOYSA-N 0 0 617.895 4.185 1 0 KIAFRN NS(=O)(=O)c1ccccc1N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000096934387 562803812 /nfs/dbraw/zinc/80/38/12/562803812.db2.gz ITKFLEAAWFVYJB-UHFFFAOYSA-N 0 0 617.895 4.185 1 0 KIAFRN NS(=O)(=O)c1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)c(F)c1 ZINC000096934388 562803814 /nfs/dbraw/zinc/80/38/14/562803814.db2.gz FZMJYGNGNKULCN-UHFFFAOYSA-N 0 0 635.885 4.324 1 0 KIAFRN NS(=O)(=O)c1ccc(N2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000096934391 562803847 /nfs/dbraw/zinc/80/38/47/562803847.db2.gz WDPLKAKJYRNGBM-UHFFFAOYSA-N 0 0 617.895 4.185 1 0 KIAFRN NS(=O)(=O)c1ccc(CN2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000096934392 562803828 /nfs/dbraw/zinc/80/38/28/562803828.db2.gz UHHLCGUYFUJHSA-UHFFFAOYSA-N 0 0 631.922 4.180 1 0 KIAFRN NS(=O)(=O)c1ccc(CCN2C(=O)c3c(c(Br)c(Br)c(Br)c3Br)C2=O)cc1 ZINC000096934393 562803827 /nfs/dbraw/zinc/80/38/27/562803827.db2.gz BZYJAFXEUBCXBJ-UHFFFAOYSA-N 0 0 645.949 4.223 1 0 KIAFRN CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000096935231 562804047 /nfs/dbraw/zinc/80/40/47/562804047.db2.gz LSNQQXOFSSIYET-JBACZVJFSA-N 0 0 546.649 4.081 1 0 KIAFRN CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000096935235 562804044 /nfs/dbraw/zinc/80/40/44/562804044.db2.gz FHPKLFZHYVJFDO-SSKFGXFMSA-N 0 0 580.110 4.469 1 0 KIAFRN COc1ccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c3nc4ccccc4s3)c(C)c2c1 ZINC000096935241 562804095 /nfs/dbraw/zinc/80/40/95/562804095.db2.gz CRLHQAUJDHJLNU-NWVWQQAFSA-N 0 0 589.718 4.133 1 0 KIAFRN CCc1c2cc(OC)ccc2[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000096935242 562804088 /nfs/dbraw/zinc/80/40/88/562804088.db2.gz CZNIWWPSXOYASJ-WDNCENIBSA-N 0 0 603.745 4.387 1 0 KIAFRN CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccccc1 ZINC000096937434 562804193 /nfs/dbraw/zinc/80/41/93/562804193.db2.gz YHGAGKBKLVOLFO-WRUSOHNXSA-N 0 0 630.786 4.469 1 0 KIAFRN COc1ccc([C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C/[C@@H](C)[C@@H](C)OC(=O)[C@H]2OC)cc1 ZINC000096937436 562804203 /nfs/dbraw/zinc/80/42/03/562804203.db2.gz XHOMIJFVUADYCJ-YBDRHRLDSA-N 0 0 660.812 4.477 1 0 KIAFRN CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(CCO)cc1 ZINC000096937440 562804212 /nfs/dbraw/zinc/80/42/12/562804212.db2.gz LTTNYMGVAYSWMP-UPPSZEPVSA-N 0 0 674.839 4.003 1 0 KIAFRN CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(N)cc1 ZINC000096937443 562804190 /nfs/dbraw/zinc/80/41/90/562804190.db2.gz JAZNMOMYAHQASC-XYDQKOHOSA-N 0 0 645.801 4.051 1 0 KIAFRN CCC(CC)(c1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 ZINC000096937665 562804306 /nfs/dbraw/zinc/80/43/06/562804306.db2.gz NTYVNGAREYLBJB-NRFANRHFSA-N 0 0 542.673 4.268 1 0 KIAFRN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2nnc(-c3ccccc3)s2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096937861 562804373 /nfs/dbraw/zinc/80/43/73/562804373.db2.gz VCTHRZBEDCVVAE-YYSPBGNDSA-N 0 0 712.854 4.433 1 0 KIAFRN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2ncc(Br)s2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096937878 562804354 /nfs/dbraw/zinc/80/43/54/562804354.db2.gz GZSNEGJXGHGMEB-WMTVXVAQSA-N 0 0 714.664 4.133 1 0 KIAFRN O=S(=O)(c1ccccc1)N1N=C(c2ccccc2)N(S(=O)(=O)c2ccccc2)N=C1c1ccccc1 ZINC000096937996 562804388 /nfs/dbraw/zinc/80/43/88/562804388.db2.gz VGWJCWQZPOLOGM-UHFFFAOYSA-N 0 0 516.604 4.105 1 0 KIAFRN COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)C(c3ccc(OC)cc3)=NN2S(=O)(=O)c2ccccc2)cc1 ZINC000096937998 562804403 /nfs/dbraw/zinc/80/44/03/562804403.db2.gz XJHDNWDVKGNCJR-UHFFFAOYSA-N 0 0 576.656 4.123 1 0 KIAFRN COc1cc(O)c2c(ccn(-c3cccc(C(=O)N4CCCCC4)c3)c2=O)c1NC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000096938030 562804443 /nfs/dbraw/zinc/80/44/43/562804443.db2.gz WNKGCUHEPVWLNE-UHFFFAOYSA-N 0 0 638.725 4.363 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(S(=O)(=O)NC5CCCC5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000096938871 562804594 /nfs/dbraw/zinc/80/45/94/562804594.db2.gz JGIRZPZICVAAQJ-VQCLQPKNSA-N 0 0 622.696 4.447 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](N3CCN(c5ccc(F)cc5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000096938877 562804588 /nfs/dbraw/zinc/80/45/88/562804588.db2.gz WLCWMVXXIBKYCW-ALMBTRMVSA-N 0 0 562.594 4.075 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@@](=O)C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939229 562804719 /nfs/dbraw/zinc/80/47/19/562804719.db2.gz ICYIZLMIIAOOTI-UKNGYUQDSA-N 0 0 549.612 4.471 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@@](=O)C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939230 562804761 /nfs/dbraw/zinc/80/47/61/562804761.db2.gz ICYIZLMIIAOOTI-DUUVKCCLSA-N 0 0 549.612 4.471 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@](=O)C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939231 562804752 /nfs/dbraw/zinc/80/47/52/562804752.db2.gz ICYIZLMIIAOOTI-NADQVQOSSA-N 0 0 549.612 4.471 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1[S@](=O)C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939232 562804743 /nfs/dbraw/zinc/80/47/43/562804743.db2.gz ICYIZLMIIAOOTI-SRKBNZRHSA-N 0 0 549.612 4.471 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1S(=O)(=O)C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939233 562804726 /nfs/dbraw/zinc/80/47/26/562804726.db2.gz BDHGBAJCWNBHST-AWEZNQCLSA-N 0 0 565.611 4.137 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1S(=O)(=O)C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096939234 562804750 /nfs/dbraw/zinc/80/47/50/562804750.db2.gz BDHGBAJCWNBHST-CQSZACIVSA-N 0 0 565.611 4.137 1 0 KIAFRN O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ncccn2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939816 562804793 /nfs/dbraw/zinc/80/47/93/562804793.db2.gz BREZHRBOBHLMLZ-OAQYLSRUSA-N 0 0 509.941 4.292 1 0 KIAFRN O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ncccn2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939818 562804824 /nfs/dbraw/zinc/80/48/24/562804824.db2.gz BREZHRBOBHLMLZ-NRFANRHFSA-N 0 0 509.941 4.292 1 0 KIAFRN O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2cccc[n+]2[O-])N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939820 562804828 /nfs/dbraw/zinc/80/48/28/562804828.db2.gz RFIXJROEMLFKPF-JOCHJYFZSA-N 0 0 524.952 4.135 1 0 KIAFRN O=C1C(CC(F)(F)F)=C[C@](O)(CSc2cccc[n+]2[O-])N1CCNc1ccnc2cc(Cl)ccc21 ZINC000096939822 562804802 /nfs/dbraw/zinc/80/48/02/562804802.db2.gz RFIXJROEMLFKPF-QFIPXVFZSA-N 0 0 524.952 4.135 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)c2ccno2)cc1 ZINC000096940089 562804873 /nfs/dbraw/zinc/80/48/73/562804873.db2.gz MWRTVEONKVGXNK-RUZDIDTESA-N 0 0 557.636 4.422 1 0 KIAFRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)c2ccno2)cc1 ZINC000096940090 562804835 /nfs/dbraw/zinc/80/48/35/562804835.db2.gz MWRTVEONKVGXNK-VWLOTQADSA-N 0 0 557.636 4.422 1 0 KIAFRN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2nnc(C(C)(C)C)s2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000096940436 562804985 /nfs/dbraw/zinc/80/49/85/562804985.db2.gz QBAKTQQZJGEYRF-AOLGGSBGSA-N 0 0 692.864 4.063 1 0 KIAFRN Cc1ccc2nc(SCC(=O)NN3C(=O)c4cccc5cccc(c54)C3=O)n(Cc3ccccc3)c(=O)c2c1 ZINC000098082390 562805239 /nfs/dbraw/zinc/80/52/39/562805239.db2.gz ACUJMSZMOGPDQJ-UHFFFAOYSA-N 0 0 534.597 4.326 1 0 KIAFRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1cc(OC)c(O)c(OC)c1 ZINC000098083417 562805451 /nfs/dbraw/zinc/80/54/51/562805451.db2.gz RNWBPIUGLIJCGQ-PLHFOPKXSA-N 0 0 610.667 4.013 1 0 KIAFRN Cc1ccc2nc(SCC(=O)NN3C(=O)c4cccc5cccc(c54)C3=O)n(-c3ccccc3)c(=O)c2c1 ZINC000098084588 562805707 /nfs/dbraw/zinc/80/57/07/562805707.db2.gz JEZRXOLPOKHXKO-UHFFFAOYSA-N 0 0 520.570 4.267 1 0 KIAFRN C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3[C@@H]2[C@@]1(C)[C@@H](CC(=O)OC)[C@]1(C)C2=C(C)[C@H](C4=CCOC4=O)C[C@H]2O[C@H]31 ZINC000098084790 562805750 /nfs/dbraw/zinc/80/57/50/562805750.db2.gz AMLJKTUSFYPMSM-SWNQXPPOSA-N 0 0 612.716 4.014 1 0 KIAFRN Cc1ccc(NC(=O)N(c2ccco2)[C@H](C(=O)N[C@@H](CC(N)=O)[C@@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)C(C)C)cc1 ZINC000098085034 562805768 /nfs/dbraw/zinc/80/57/68/562805768.db2.gz NHDLQHGFVZJUDU-BYJJWLQTSA-N 0 0 634.730 4.473 1 0 KIAFRN CCN(c1cc(-c2ccc(CO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000098185420 562805908 /nfs/dbraw/zinc/80/59/08/562805908.db2.gz KUTCPLVMYMGYLS-UHFFFAOYSA-N 0 0 503.643 4.395 1 0 KIAFRN C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2Nc2ccccc2)nc1)C(F)(F)F ZINC000098208304 562806026 /nfs/dbraw/zinc/80/60/26/562806026.db2.gz LJCXNEAHAINFGA-QHCPKHFHSA-N 0 0 515.517 4.467 1 0 in-vitro KIAFRN O=C(Nc1ccncc1)c1cccc2[nH]c3c(ncnc3N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 ZINC000100015626 562806122 /nfs/dbraw/zinc/80/61/22/562806122.db2.gz LOMAQVXHXWZILY-UHFFFAOYSA-N 0 0 513.552 4.353 1 0 KIAFRN CC(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100036832 562806297 /nfs/dbraw/zinc/80/62/97/562806297.db2.gz UYNUMQYFKIFKCA-NHCUHLMSSA-N 0 0 567.486 4.367 1 0 KIAFRN CC(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100036835 562806296 /nfs/dbraw/zinc/80/62/96/562806296.db2.gz UYNUMQYFKIFKCA-RTWAWAEBSA-N 0 0 567.486 4.367 1 0 KIAFRN CC(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100036836 562806298 /nfs/dbraw/zinc/80/62/98/562806298.db2.gz UYNUMQYFKIFKCA-LEWJYISDSA-N 0 0 567.486 4.367 1 0 KIAFRN COc1ccccc1C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000100036846 562806290 /nfs/dbraw/zinc/80/62/90/562806290.db2.gz TXYUZUBLLXLHPL-CTNGQTDRSA-N 0 0 597.512 4.095 1 0 KIAFRN COc1ccccc1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000100036847 562806305 /nfs/dbraw/zinc/80/63/05/562806305.db2.gz TXYUZUBLLXLHPL-FPOVZHCZSA-N 0 0 597.512 4.095 1 0 KIAFRN COc1ccccc1C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000100036849 562806289 /nfs/dbraw/zinc/80/62/89/562806289.db2.gz TXYUZUBLLXLHPL-PZJWPPBQSA-N 0 0 597.512 4.095 1 0 KIAFRN COc1ccc(Cn2c(C)cc3c(c2=O)C=C2CC[C@H]([C@@H](C)Cn4cnc(N)c5ncnc4-5)C[C@@H]2O3)cc1 ZINC000100080372 562806694 /nfs/dbraw/zinc/80/66/94/562806694.db2.gz JJLTTZRSKXPMKZ-REIDKSKDSA-N 0 0 512.614 4.168 1 0 KIAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCCCCC[C@H]21 ZINC000100084099 562806738 /nfs/dbraw/zinc/80/67/38/562806738.db2.gz DAKBFESTVLIITH-PKOBYXMFSA-N 0 0 552.719 4.000 1 0 KIAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@H]2CCCCCC[C@@H]21 ZINC000100084102 562806732 /nfs/dbraw/zinc/80/67/32/562806732.db2.gz DAKBFESTVLIITH-HKUYNNGSSA-N 0 0 552.719 4.000 1 0 KIAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCCCCC[C@H]21 ZINC000100084104 562806750 /nfs/dbraw/zinc/80/67/50/562806750.db2.gz DAKBFESTVLIITH-IEBWSBKVSA-N 0 0 552.719 4.000 1 0 KIAFRN CC(C)(C)CCN1C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C(=O)[C@@H]2CCCCCC[C@@H]21 ZINC000100084106 562806761 /nfs/dbraw/zinc/80/67/61/562806761.db2.gz DAKBFESTVLIITH-MJGOQNOKSA-N 0 0 552.719 4.000 1 0 KIAFRN CC(C)(C)CC[C@]1(C)CN(C2CCCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095099 562806792 /nfs/dbraw/zinc/80/67/92/562806792.db2.gz LXIFZRPWZMHZQS-RUZDIDTESA-N 0 0 552.719 4.000 1 0 KIAFRN CC(C)CC[C@]1(C)CN(C2CCCCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095121 562806767 /nfs/dbraw/zinc/80/67/67/562806767.db2.gz XMNIBLMUTNVHAC-RUZDIDTESA-N 0 0 552.719 4.000 1 0 KIAFRN CC(C)(C)CC[C@]1(C)CN(C2CCCCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095137 562806795 /nfs/dbraw/zinc/80/67/95/562806795.db2.gz HOZIVJSLSGLAKR-AREMUKBSSA-N 0 0 566.746 4.390 1 0 KIAFRN CC[C@@]1(CCC(C)C)CN(C2CCCC2)C(=O)C(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O ZINC000100095180 562806823 /nfs/dbraw/zinc/80/68/23/562806823.db2.gz NUTAVIYVUYPDKO-RUZDIDTESA-N 0 0 552.719 4.000 1 0 KIAFRN CCOC(=O)C1C(=O)C[C@H](c2ccccc2)N([C@H](O)Cn2nnc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000100102678 562806848 /nfs/dbraw/zinc/80/68/48/562806848.db2.gz GZNCTZFXTVMOPL-DFZDUAMZSA-N 0 0 511.582 4.222 1 0 KIAFRN COc1ccccc1S(=O)(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000100187476 562806859 /nfs/dbraw/zinc/80/68/59/562806859.db2.gz IDILRECQKBLRIF-TYPXCFOJSA-N 0 0 552.693 4.041 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C[C@H]2CCC[C@H]2C1)S(=O)(=O)c1ccc(CO)cc1 ZINC000100388398 562806956 /nfs/dbraw/zinc/80/69/56/562806956.db2.gz KAIGECVMSJMEED-SJNPBBMOSA-N 0 0 558.741 4.103 1 0 KIAFRN CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3C[C@@H](O)[C@@H](O)C3)c2c(=O)n(C)c1=O ZINC000100403564 562806946 /nfs/dbraw/zinc/80/69/46/562806946.db2.gz RPPJSBWXZDEAFY-XGBSXSJOSA-N 0 0 528.618 4.004 1 0 KIAFRN CCC(C)(C)CCn1nc(-c2cccs2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O ZINC000100424889 562806988 /nfs/dbraw/zinc/80/69/88/562806988.db2.gz DPZQNJCPTZHGSQ-UHFFFAOYSA-N 0 0 564.711 4.073 1 0 KIAFRN CC(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3c2cccc3OCC(=O)C(C)(C)C)C(=O)N1Cc1ccccc1 ZINC000100424965 562806999 /nfs/dbraw/zinc/80/69/99/562806999.db2.gz IWYTUAWHESKPNE-QHCPKHFHSA-N 0 0 510.612 4.051 1 0 KIAFRN CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3c2cccc3OCc2ncon2)C(=O)N1Cc1ccc(F)c(Cl)c1 ZINC000100425043 562806991 /nfs/dbraw/zinc/80/69/91/562806991.db2.gz SDOBLCQIYBBWHQ-HSZRJFAPSA-N 0 0 560.991 4.202 1 0 KIAFRN C#[N+]c1c[n-]c(C(=O)Nc2ccc([C@]3(O)C[C@@]4(CO)CC[C@@](CO)(C3)O4)cc2C2=CCC(C)(C)CC2)n1 ZINC000100619445 562807173 /nfs/dbraw/zinc/80/71/73/562807173.db2.gz CVIIVSXXUVZMTE-KUMHGWDASA-N 0 0 506.603 4.060 1 0 KIAFRN CC(C)[C@H](NC(=O)Cn1c(O)c2nc3c(cccc3OS(C)(=O)=O)c-2cc1-c1ccccc1)C(=O)C(F)(F)F ZINC000100729480 562807279 /nfs/dbraw/zinc/80/72/79/562807279.db2.gz OESQQLWRZZSTIX-NRFANRHFSA-N 0 0 563.554 4.124 1 0 KIAFRN CC(C)[C@@H](NC(=O)Cn1c(O)c2nc3c(cccc3OS(C)(=O)=O)c-2cc1-c1ccccc1)C(=O)C(F)(F)F ZINC000100729484 562807268 /nfs/dbraw/zinc/80/72/68/562807268.db2.gz OESQQLWRZZSTIX-OAQYLSRUSA-N 0 0 563.554 4.124 1 0 KIAFRN C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccc(F)cc4)n3)[nH]2)OC1 ZINC000100752021 562807287 /nfs/dbraw/zinc/80/72/87/562807287.db2.gz XUQWOOPGLOCUOQ-CCURTVBJSA-N 0 0 576.604 4.335 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@@H]2c3ccccc3C[C@H]2O)C1=O)O[C@H]1CCOC1 ZINC000100795550 562807984 /nfs/dbraw/zinc/80/79/84/562807984.db2.gz KJVZZFORYMMJSP-HHCDCDHMSA-N 0 0 582.697 4.443 1 0 KIAFRN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)NC=C([C@H]2c3ccccc3C[C@H]2O)C1=O)O[C@H]1CCOC1 ZINC000100795551 562808000 /nfs/dbraw/zinc/80/80/00/562808000.db2.gz KJVZZFORYMMJSP-JVGQXRASSA-N 0 0 582.697 4.443 1 0 KIAFRN C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccccc4)n3)[nH]2)OC1 ZINC000100878022 562808359 /nfs/dbraw/zinc/80/83/59/562808359.db2.gz OWOMGDAFVPFMMM-XQESHEEFSA-N 0 0 544.587 4.327 1 0 KIAFRN C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccccc4)n3)[nH]2)OC1 ZINC000100878028 562808384 /nfs/dbraw/zinc/80/83/84/562808384.db2.gz CGPLPXSUQNDZNQ-CCURTVBJSA-N 0 0 558.614 4.195 1 0 KIAFRN C[C@@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4cccs4)n3)[nH]2)OC1 ZINC000100961396 562808552 /nfs/dbraw/zinc/80/85/52/562808552.db2.gz MYZPSPRDHMJFJD-FCMXBYMOSA-N 0 0 564.643 4.257 1 0 KIAFRN COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(C(N)=O)cc4)nc2-3)cc1OC1CCCC1 ZINC000101003411 562808611 /nfs/dbraw/zinc/80/86/11/562808611.db2.gz QKAIAGAOMVVSCM-UHFFFAOYSA-N 0 0 530.629 4.194 1 0 KIAFRN CC(C)[C@H](NC(=O)C[C@H](NC(=O)/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C ZINC000101008681 562808669 /nfs/dbraw/zinc/80/86/69/562808669.db2.gz FHMNNBKQIGPMGS-POFJFJBZSA-N 0 0 565.670 4.233 1 0 KIAFRN 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555.704 4.400 1 0 KIAFRN O=C(NC1CC1)c1cc2n(n1)CCN(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)c1ccccc1-2 ZINC000103251156 562820304 /nfs/dbraw/zinc/82/03/04/562820304.db2.gz YWTOHNDRVFFWEN-UHFFFAOYSA-N 0 0 561.646 4.350 1 0 KIAFRN O=C(NC1CC1)c1cn2c(n1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2 ZINC000103251158 562820306 /nfs/dbraw/zinc/82/03/06/562820306.db2.gz DHJJSJBMSJAWRB-UHFFFAOYSA-N 0 0 561.646 4.350 1 0 KIAFRN CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2c(=O)[nH]cnc2cc1F ZINC000103252901 562820478 /nfs/dbraw/zinc/82/04/78/562820478.db2.gz LSMFFJKHMIBCPF-UHFFFAOYSA-N 0 0 516.460 4.483 1 0 KIAFRN COc1ccc(S(=O)(=O)Nc2cccc(CNc3ncnc4c3cnn4CCc3ccccc3)c2)cc1 ZINC000103253399 562820545 /nfs/dbraw/zinc/82/05/45/562820545.db2.gz RLTOPHQEPYHXEV-UHFFFAOYSA-N 0 0 514.611 4.491 1 0 KIAFRN COc1ccc(S(=O)(=O)Nc2cccc(CNc3ncnc4c3cnn4CCc3ccccc3)c2)cc1OC ZINC000103253403 562820514 /nfs/dbraw/zinc/82/05/14/562820514.db2.gz WGISBTPBQJUQGK-UHFFFAOYSA-N 0 0 544.637 4.499 1 0 KIAFRN 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/nfs/dbraw/zinc/82/08/91/562820891.db2.gz DTXQSKIHMSDYJZ-DLTDCEFJSA-N 0 0 525.554 4.173 1 0 KIAFRN CCc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c2c1CC1(CC1)CC2 ZINC000103258590 562821036 /nfs/dbraw/zinc/82/10/36/562821036.db2.gz CFXCKBDYAKGPEE-IBGZPJMESA-N 0 0 525.671 4.015 1 0 KIAFRN CCc1sc(C(=O)CCc2cc(C)c(OC[C@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 ZINC000103258604 562821025 /nfs/dbraw/zinc/82/10/25/562821025.db2.gz SDXLHVQJWQGFII-OAQYLSRUSA-N 0 0 515.716 4.360 1 0 KIAFRN CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 ZINC000103258606 562821010 /nfs/dbraw/zinc/82/10/10/562821010.db2.gz SDXLHVQJWQGFII-NRFANRHFSA-N 0 0 515.716 4.360 1 0 KIAFRN CCc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c2c1CC(C)(C)CC2 ZINC000103258624 562821061 /nfs/dbraw/zinc/82/10/61/562821061.db2.gz TVOYOGHTHJJTRD-IBGZPJMESA-N 0 0 527.687 4.261 1 0 KIAFRN COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)NCC(C)(C)C)cc4)n2)S(=O)(=O)CCC3)cc1F ZINC000103259129 562821091 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ZINC000103261069 562821347 /nfs/dbraw/zinc/82/13/47/562821347.db2.gz GMJUDBRAFDLBPZ-JUNRQFGFSA-N 0 0 517.074 4.061 1 0 KIAFRN C[C@H](CO)Nc1nc(Cl)nc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261070 562821350 /nfs/dbraw/zinc/82/13/50/562821350.db2.gz GMJUDBRAFDLBPZ-VBRANJCJSA-N 0 0 517.074 4.061 1 0 KIAFRN Nc1nn(Cc2cn(CC(=O)Nc3ccc(F)cc3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261127 562821343 /nfs/dbraw/zinc/82/13/43/562821343.db2.gz WOQKIVUGXDQZHW-UHFFFAOYSA-N 0 0 510.455 4.117 1 0 KIAFRN Cc1ccc(NC(=O)Cn2cc(Cn3nc(N)c4c3nc(-c3ccccc3)cc4C(F)(F)F)nn2)cc1 ZINC000103261133 562821342 /nfs/dbraw/zinc/82/13/42/562821342.db2.gz XQVWWSXBAFLORT-UHFFFAOYSA-N 0 0 506.492 4.286 1 0 KIAFRN Nc1nn(Cc2cn(CC(=O)Nc3cccc(F)c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261137 562821352 /nfs/dbraw/zinc/82/13/52/562821352.db2.gz AHMMXLWAQKQIJI-UHFFFAOYSA-N 0 0 510.455 4.117 1 0 KIAFRN Nc1nn(Cc2cn(CC(=O)Nc3c(F)cccc3F)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261139 562821335 /nfs/dbraw/zinc/82/13/35/562821335.db2.gz ZVCCGNPMGDOICY-UHFFFAOYSA-N 0 0 528.445 4.256 1 0 KIAFRN O=C(c1cnccc1C(F)(F)F)N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccncn3)CC2)C1 ZINC000103261408 562821346 /nfs/dbraw/zinc/82/13/46/562821346.db2.gz IGTRUEHHYLABHA-AREMUKBSSA-N 0 0 608.543 4.312 1 0 KIAFRN O=C(c1cnccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccncn3)CC2)C1 ZINC000103261409 562821356 /nfs/dbraw/zinc/82/13/56/562821356.db2.gz IGTRUEHHYLABHA-SANMLTNESA-N 0 0 608.543 4.312 1 0 KIAFRN O=C(c1cnccc1C(F)(F)F)N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000103261412 562821333 /nfs/dbraw/zinc/82/13/33/562821333.db2.gz IWCUDUJXYPBJLC-SANMLTNESA-N 0 0 608.543 4.312 1 0 KIAFRN O=C(c1cnccc1C(F)(F)F)N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000103261414 562821408 /nfs/dbraw/zinc/82/14/08/562821408.db2.gz IWCUDUJXYPBJLC-AREMUKBSSA-N 0 0 608.543 4.312 1 0 KIAFRN 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Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3cccnc3)c3cccn3n2)nc1 ZINC000103261561 562821438 /nfs/dbraw/zinc/82/14/38/562821438.db2.gz YVMNPMSFXSFYCJ-UHFFFAOYSA-N 0 0 520.597 4.323 1 0 KIAFRN Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2nc(-c3cnn(C)c3)c3cccn3n2)cc1 ZINC000103261569 562821426 /nfs/dbraw/zinc/82/14/26/562821426.db2.gz GOGDOXBSOMRKCE-UHFFFAOYSA-N 0 0 522.613 4.266 1 0 KIAFRN Cn1cnc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccc(Cl)cc3Cl)c3ccccc3)CC2)c1 ZINC000103262875 562821691 /nfs/dbraw/zinc/82/16/91/562821691.db2.gz HFOMCIFYTYHPRL-JOCHJYFZSA-N 0 0 507.443 4.299 1 0 KIAFRN Cn1cnc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccc(Cl)cc3Cl)c3ccccc3)CC2)c1 ZINC000103262877 562821673 /nfs/dbraw/zinc/82/16/73/562821673.db2.gz HFOMCIFYTYHPRL-QFIPXVFZSA-N 0 0 507.443 4.299 1 0 KIAFRN Cn1cnc(S(=O)(=O)N2CCC([C@H](NC(=O)c3ccc(Cl)cc3Cl)c3cccs3)CC2)c1 ZINC000103263663 562821764 /nfs/dbraw/zinc/82/17/64/562821764.db2.gz JJKWWLUFAFWNSF-FQEVSTJZSA-N 0 0 513.472 4.360 1 0 KIAFRN Cn1cnc(S(=O)(=O)N2CCC([C@@H](NC(=O)c3ccc(Cl)cc3Cl)c3cccs3)CC2)c1 ZINC000103263664 562821738 /nfs/dbraw/zinc/82/17/38/562821738.db2.gz JJKWWLUFAFWNSF-HXUWFJFHSA-N 0 0 513.472 4.360 1 0 KIAFRN Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263818 562821772 /nfs/dbraw/zinc/82/17/72/562821772.db2.gz VRUOPFISMXRWIS-WNJJXGMVSA-N 0 0 535.092 4.445 1 0 KIAFRN Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)NC(C)(C)C)CC2)c2ccc(Cl)cc21 ZINC000103263838 562821840 /nfs/dbraw/zinc/82/18/40/562821840.db2.gz VRUOPFISMXRWIS-LITSAYRRSA-N 0 0 535.092 4.445 1 0 KIAFRN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4C)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000103264417 562821936 /nfs/dbraw/zinc/82/19/36/562821936.db2.gz HSNVRQXJCBRZAG-UHFFFAOYSA-N 0 0 549.559 4.426 1 0 KIAFRN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1N(C)S(=O)(=O)c1ccc(F)cc1F ZINC000103264430 562821914 /nfs/dbraw/zinc/82/19/14/562821914.db2.gz JTSQQFLDSUTAMR-UHFFFAOYSA-N 0 0 549.559 4.142 1 0 KIAFRN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1S(=O)(=O)Nc1ccc(F)cc1F ZINC000103264452 562821934 /nfs/dbraw/zinc/82/19/34/562821934.db2.gz PUIIYUKWWSWMRY-UHFFFAOYSA-N 0 0 535.532 4.118 1 0 KIAFRN O[C@](CSC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000103264809 562822031 /nfs/dbraw/zinc/82/20/31/562822031.db2.gz VHKJQPPZVZHBOE-QFIPXVFZSA-N 0 0 543.587 4.303 1 0 KIAFRN O[C@@](CSC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000103264812 562822010 /nfs/dbraw/zinc/82/20/10/562822010.db2.gz VHKJQPPZVZHBOE-JOCHJYFZSA-N 0 0 543.587 4.303 1 0 KIAFRN COc1ccc(-n2c(=O)c3c(C)c(C(=O)NCc4ccc(Cl)cc4)sc3[nH]c2=S)nc1OC ZINC000103265016 562822071 /nfs/dbraw/zinc/82/20/71/562822071.db2.gz HZQCGHUXTQUDJR-UHFFFAOYSA-N 0 0 503.005 4.414 1 0 KIAFRN O=C1[C@@H](O)c2ccccc2N1CCn1cc(COc2ccc(CNNc3ccnc4cc(Cl)ccc43)cc2)nn1 ZINC000103265170 562822102 /nfs/dbraw/zinc/82/21/02/562822102.db2.gz VPTHJVYPBHJEEO-NDEPHWFRSA-N 0 0 556.026 4.256 1 0 KIAFRN O=C1[C@H](O)c2ccccc2N1CCn1cc(COc2ccc(CNNc3ccnc4cc(Cl)ccc43)cc2)nn1 ZINC000103265174 562822127 /nfs/dbraw/zinc/82/21/27/562822127.db2.gz VPTHJVYPBHJEEO-MUUNZHRXSA-N 0 0 556.026 4.256 1 0 KIAFRN O=C1[C@@H](O)c2cc(F)ccc2N1CCn1cc(COc2ccc(CNNc3ccnc4cc(Cl)ccc43)cc2)nn1 ZINC000103265185 562822099 /nfs/dbraw/zinc/82/20/99/562822099.db2.gz PQEORGSHUMUKCF-NDEPHWFRSA-N 0 0 574.016 4.395 1 0 KIAFRN O=C1[C@H](O)c2cc(F)ccc2N1CCn1cc(COc2ccc(CNNc3ccnc4cc(Cl)ccc43)cc2)nn1 ZINC000103265187 562822088 /nfs/dbraw/zinc/82/20/88/562822088.db2.gz PQEORGSHUMUKCF-MUUNZHRXSA-N 0 0 574.016 4.395 1 0 KIAFRN CCOC(=O)C(=C\c1cc(OC)c(OC(C)=O)c(OC)c1)/C(=C/c1cc(OC)c(OC(C)=O)c(OC)c1)C(=O)OCC ZINC000103265895 562822199 /nfs/dbraw/zinc/82/21/99/562822199.db2.gz VSYGDEARVYPTDE-IINORCHSSA-N 0 0 586.590 4.165 1 0 KIAFRN CCOC(=O)C(=C\c1cc(OC)c(OC)c(OC)c1)/C(=C/c1cc(OC)c(OC)c(OC)c1)C(=O)OCC ZINC000103265899 562822210 /nfs/dbraw/zinc/82/22/10/562822210.db2.gz QILPNPOEZOFVJU-YZLQMOBTSA-N 0 0 530.570 4.331 1 0 KIAFRN CC[C@H]1CN(c2ncc(-c3nc(=O)o[n-]3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266155 562822226 /nfs/dbraw/zinc/82/22/26/562822226.db2.gz OCYROWFWTXOUBU-IBGZPJMESA-N 0 0 535.451 4.436 1 0 KIAFRN O=C(C[C@@H]1S[C@H](c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000103267567 562822459 /nfs/dbraw/zinc/82/24/59/562822459.db2.gz CKBMBHWCOZKZCQ-RPLLCQBOSA-N 0 0 504.656 4.468 1 0 KIAFRN O=C(C[C@@H]1S[C@@H](c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000103267570 562822502 /nfs/dbraw/zinc/82/25/02/562822502.db2.gz CKBMBHWCOZKZCQ-IGKIAQTJSA-N 0 0 504.656 4.468 1 0 KIAFRN O=C(C[C@H]1S[C@H](c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000103267575 562822511 /nfs/dbraw/zinc/82/25/11/562822511.db2.gz CKBMBHWCOZKZCQ-SHQCIBLASA-N 0 0 504.656 4.468 1 0 KIAFRN O=C(C[C@H]1S[C@@H](c2ccccc2)N(CC2CC2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000103267579 562822515 /nfs/dbraw/zinc/82/25/15/562822515.db2.gz CKBMBHWCOZKZCQ-SQHAQQRYSA-N 0 0 504.656 4.468 1 0 KIAFRN O=C(C[C@@H]1S[C@H](c2ccccc2)N(C[C@@H]2CCCO2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000103267654 562822544 /nfs/dbraw/zinc/82/25/44/562822544.db2.gz SPSOQAZOOCNLQY-YRLRHBCXSA-N 0 0 534.682 4.237 1 0 KIAFRN O=C(C[C@@H]1S[C@@H](c2ccccc2)N(C[C@@H]2CCCO2)C1=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000103267657 562822546 /nfs/dbraw/zinc/82/25/46/562822546.db2.gz SPSOQAZOOCNLQY-AGJHTDJMSA-N 0 0 534.682 4.237 1 0 KIAFRN CC(C)(C)n1nnnc1[C@H](Nc1ccccc1I)c1coc2ccccc2c1=O ZINC000103269294 562822770 /nfs/dbraw/zinc/82/27/70/562822770.db2.gz GJIMKYHNYZRIRE-GOSISDBHSA-N 0 0 501.328 4.341 1 0 KIAFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccccc1I)c1coc2ccccc2c1=O ZINC000103269297 562822774 /nfs/dbraw/zinc/82/27/74/562822774.db2.gz GJIMKYHNYZRIRE-SFHVURJKSA-N 0 0 501.328 4.341 1 0 KIAFRN CC(C)(C)n1nnnc1[C@H](Nc1ccc(I)cc1)c1coc2ccccc2c1=O ZINC000103269325 562822781 /nfs/dbraw/zinc/82/27/81/562822781.db2.gz YMJJWJGNTQDNND-GOSISDBHSA-N 0 0 501.328 4.341 1 0 KIAFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccc(I)cc1)c1coc2ccccc2c1=O ZINC000103269329 562822755 /nfs/dbraw/zinc/82/27/55/562822755.db2.gz YMJJWJGNTQDNND-SFHVURJKSA-N 0 0 501.328 4.341 1 0 KIAFRN CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](C)CC[C@H](C)NC(=O)OCc2cncs2)C(C)C)cs1 ZINC000103270802 562822971 /nfs/dbraw/zinc/82/29/71/562822971.db2.gz TYLOVNGZCFIJOG-WFXMLNOXSA-N 0 0 552.767 4.489 1 0 KIAFRN CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000103270968 562823005 /nfs/dbraw/zinc/82/30/05/562823005.db2.gz ADFZRLCDZTVZRL-NSOVKSMOSA-N 0 0 530.621 4.164 1 0 KIAFRN COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C(N)=O)C2=O)ccc1OCc1ccccc1 ZINC000103272397 562823074 /nfs/dbraw/zinc/82/30/74/562823074.db2.gz VXNZRYLVHZPONC-OEAKJJBVSA-N 0 0 517.563 4.048 1 0 KIAFRN COc1cc(Cc2nnc(Nc3ccc(C(F)(F)F)cc3)s2)c(S(=O)(=O)N(C)C)cc1OC ZINC000103273273 562823139 /nfs/dbraw/zinc/82/31/39/562823139.db2.gz RPDFLPQFAABIFI-UHFFFAOYSA-N 0 0 502.540 4.159 1 0 KIAFRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCC3C(c4ccccc4)=NCCN=C3c3ccccc3)CC2)cc1 ZINC000103278460 562823331 /nfs/dbraw/zinc/82/33/31/562823331.db2.gz OZWQFDJCSHZYDQ-UHFFFAOYSA-N 0 0 571.747 4.340 1 0 KIAFRN COc1ccc(CC(=O)NC[C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)N32)cc1 ZINC000103278494 562823346 /nfs/dbraw/zinc/82/33/46/562823346.db2.gz ZVRXSAFMIKPNDF-RRPNLBNLSA-N 0 0 582.657 4.025 1 0 KIAFRN COc1ccc(CC(=O)NC[C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)N32)cc1 ZINC000103278495 562823313 /nfs/dbraw/zinc/82/33/13/562823313.db2.gz ZVRXSAFMIKPNDF-SVBPBHIXSA-N 0 0 582.657 4.025 1 0 KIAFRN COc1ccc(CC(=O)NC[C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)N32)cc1 ZINC000103278497 562823308 /nfs/dbraw/zinc/82/33/08/562823308.db2.gz ZVRXSAFMIKPNDF-KAYWLYCHSA-N 0 0 582.657 4.025 1 0 KIAFRN COc1ccc(CC(=O)NC[C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCc4ccc(OC)c(OC)c4)C(=O)N32)cc1 ZINC000103278499 562823356 /nfs/dbraw/zinc/82/33/56/562823356.db2.gz ZVRXSAFMIKPNDF-SXOMAYOGSA-N 0 0 582.657 4.025 1 0 KIAFRN COc1ccc(N(CCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC000103279167 562823379 /nfs/dbraw/zinc/82/33/79/562823379.db2.gz WWGDJRHSGVLOJZ-SSEXGKCCSA-N 0 0 593.153 4.323 1 0 KIAFRN COC[C@H]1Oc2cc([C@H]3OC[C@]4(O)[C@@H](Oc5c(OC)cccc5OC)OC[C@H]34)c(OC)cc2C[C@H]1c1ccc2c(c1)OCO2 ZINC000103279307 562823351 /nfs/dbraw/zinc/82/33/51/562823351.db2.gz IXMSBRWMRZMWPO-QWHLGOCESA-N 0 0 608.640 4.029 1 0 KIAFRN COC[C@@H]1Oc2cc([C@H]3OC[C@]4(O)[C@@H](Oc5c(OC)cccc5OC)OC[C@H]34)c(OC)cc2C[C@H]1c1ccc2c(c1)OCO2 ZINC000103279310 562823353 /nfs/dbraw/zinc/82/33/53/562823353.db2.gz IXMSBRWMRZMWPO-TUZISQECSA-N 0 0 608.640 4.029 1 0 KIAFRN COC[C@H]1Oc2cc([C@H]3OC[C@]4(O)[C@@H](Oc5c(OC)cccc5OC)OC[C@H]34)c(OC)cc2C[C@@H]1c1ccc2c(c1)OCO2 ZINC000103279313 562823373 /nfs/dbraw/zinc/82/33/73/562823373.db2.gz IXMSBRWMRZMWPO-LCGYJIASSA-N 0 0 608.640 4.029 1 0 KIAFRN COC[C@@H]1Oc2cc([C@H]3OC[C@]4(O)[C@@H](Oc5c(OC)cccc5OC)OC[C@H]34)c(OC)cc2C[C@@H]1c1ccc2c(c1)OCO2 ZINC000103279315 562823400 /nfs/dbraw/zinc/82/34/00/562823400.db2.gz IXMSBRWMRZMWPO-WPXXHESTSA-N 0 0 608.640 4.029 1 0 KIAFRN O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccncc3n2Cc2ccc(Cl)cc2)CC1 ZINC000103279491 562823399 /nfs/dbraw/zinc/82/33/99/562823399.db2.gz AUYNKDSJDYLQDD-UHFFFAOYSA-N 0 0 502.018 4.344 1 0 KIAFRN O=C(NCCc1ccncc1)C1CCN(C(=O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000103279533 562823414 /nfs/dbraw/zinc/82/34/14/562823414.db2.gz VILORXHTQVWMSG-UHFFFAOYSA-N 0 0 502.018 4.344 1 0 KIAFRN COc1ccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)cc1O ZINC000103280057 562823444 /nfs/dbraw/zinc/82/34/44/562823444.db2.gz VELUQFVYYSNSMF-LKXKKQBMSA-N 0 0 553.395 4.331 1 0 KIAFRN COc1ccc(N2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC)cc1O ZINC000103280059 562823441 /nfs/dbraw/zinc/82/34/41/562823441.db2.gz ROOHCVGTCVPPCJ-LKXKKQBMSA-N 0 0 553.395 4.331 1 0 KIAFRN COc1ccc([C@H]2[C@@H](C)[C@]3(C[C@@H](c4ccc(OC)cc4)N2C(C)=O)SC(NC(C)=O)=NN3C(C)=O)cc1 ZINC000103280224 562823442 /nfs/dbraw/zinc/82/34/42/562823442.db2.gz OLIQQQSQJQLMFI-JJLTYULESA-N 0 0 524.643 4.073 1 0 KIAFRN COc1ccc([C@H]2[C@H](C)[C@]3(C[C@@H](c4ccc(OC)cc4)N2C(C)=O)SC(NC(C)=O)=NN3C(C)=O)cc1 ZINC000103280226 562823424 /nfs/dbraw/zinc/82/34/24/562823424.db2.gz OLIQQQSQJQLMFI-MAYPLETRSA-N 0 0 524.643 4.073 1 0 KIAFRN COc1ccc([C@@H]2C[C@]3(SC(NC(C)=O)=NN3C(C)=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2C(C)=O)cc1 ZINC000103280228 562823481 /nfs/dbraw/zinc/82/34/81/562823481.db2.gz OLIQQQSQJQLMFI-GAAZCISXSA-N 0 0 524.643 4.073 1 0 KIAFRN COc1ccc([C@@H]2C[C@]3(SC(NC(C)=O)=NN3C(C)=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(C)=O)cc1 ZINC000103280231 562823473 /nfs/dbraw/zinc/82/34/73/562823473.db2.gz OLIQQQSQJQLMFI-AHNGBTAHSA-N 0 0 524.643 4.073 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)c3cccnc3Cl)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000103281154 562823531 /nfs/dbraw/zinc/82/35/31/562823531.db2.gz XHNPOHHVNYEYSN-JDGBCZCZSA-N 0 0 553.951 4.322 1 0 KIAFRN 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CCS(=O)(=O)Nc1ccc2c(c1)C(=C(Nc1ccc(CN3CCOCC3)cc1)c1ccccc1)C(=O)N2 ZINC000103298326 562824774 /nfs/dbraw/zinc/82/47/74/562824774.db2.gz WYQFMWFSCFEVQD-RQZHXJHFSA-N 0 0 518.639 4.213 1 0 KIAFRN COC(=O)c1sc(-c2cccc(OC)c2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298646 562824809 /nfs/dbraw/zinc/82/48/09/562824809.db2.gz YITLRRJIFNJRSP-GFCCVEGCSA-N 0 0 506.989 4.400 1 0 KIAFRN COC(=O)c1sc(-c2cccc(OC)c2)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298650 562824769 /nfs/dbraw/zinc/82/47/69/562824769.db2.gz YITLRRJIFNJRSP-LBPRGKRZSA-N 0 0 506.989 4.400 1 0 KIAFRN COc1cc2c(cc1OC)[C@H](NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cnn(-c3ccccc3)c1-2 ZINC000103300483 562824911 /nfs/dbraw/zinc/82/49/11/562824911.db2.gz DWPVIADNDHFBJF-PMERELPUSA-N 0 0 541.627 4.032 1 0 KIAFRN COc1cc2c(cc1OC)[C@@H](NC(=O)CN1CCN(Cc3ccccc3F)CC1)c1cnn(-c3ccccc3)c1-2 ZINC000103300487 562824936 /nfs/dbraw/zinc/82/49/36/562824936.db2.gz DWPVIADNDHFBJF-SSEXGKCCSA-N 0 0 541.627 4.032 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1cccnn1)CC2 ZINC000103300547 562824910 /nfs/dbraw/zinc/82/49/10/562824910.db2.gz MFQRANAGKBSNAZ-INIZCTEOSA-N 0 0 529.018 4.166 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1cncnc1)CC2 ZINC000103300550 562824922 /nfs/dbraw/zinc/82/49/22/562824922.db2.gz ARHVHEZPMSAKGT-KRWDZBQOSA-N 0 0 529.018 4.166 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1cnccn1)CC2 ZINC000103300553 562824926 /nfs/dbraw/zinc/82/49/26/562824926.db2.gz CVPANXGUSJKFBJ-INIZCTEOSA-N 0 0 529.018 4.166 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1cc[nH]n1)CC2 ZINC000103300564 562824934 /nfs/dbraw/zinc/82/49/34/562824934.db2.gz MNZDFTRMJVCZSQ-HNNXBMFYSA-N 0 0 517.007 4.099 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1ccn(C)n1)CC2 ZINC000103300567 562824920 /nfs/dbraw/zinc/82/49/20/562824920.db2.gz GRLHFAOQLXQHHF-INIZCTEOSA-N 0 0 531.034 4.109 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)Nc1cc(C)[nH]n1)CC2 ZINC000103300569 562824928 /nfs/dbraw/zinc/82/49/28/562824928.db2.gz LUKBSMVXIMCVOC-INIZCTEOSA-N 0 0 531.034 4.407 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NS(=O)(=O)c1ccccc1)CC2 ZINC000103300588 562824929 /nfs/dbraw/zinc/82/49/29/562824929.db2.gz PPEXJKVNZJXAMV-IBGZPJMESA-N 0 0 532.014 4.367 1 0 KIAFRN COc1c(Cl)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=S)N1CCCC1)CC2 ZINC000103300646 562824959 /nfs/dbraw/zinc/82/49/59/562824959.db2.gz RQGALQYYDMFBCU-KRWDZBQOSA-N 0 0 505.036 4.359 1 0 KIAFRN CCN(Cc1cccc(Br)c1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301280 562824997 /nfs/dbraw/zinc/82/49/97/562824997.db2.gz PJUMYQNMQRTHSO-UHFFFAOYSA-N 0 0 544.471 4.256 1 0 KIAFRN CCN(Cc1ccc(Br)cc1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301282 562824981 /nfs/dbraw/zinc/82/49/81/562824981.db2.gz JNZYUKYWEKHQTO-UHFFFAOYSA-N 0 0 544.471 4.256 1 0 KIAFRN NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(N(Cc3ccco3)Cc3ccccc3)cc1)CC2 ZINC000103301326 562824991 /nfs/dbraw/zinc/82/49/91/562824991.db2.gz HVHZUBCTSJRUHQ-UHFFFAOYSA-N 0 0 517.607 4.267 1 0 KIAFRN NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1cccc(N(Cc3ccco3)Cc3ccccc3)c1)CC2 ZINC000103301351 562825023 /nfs/dbraw/zinc/82/50/23/562825023.db2.gz UNLXXNUTFYVXSR-UHFFFAOYSA-N 0 0 517.607 4.267 1 0 KIAFRN CCN(Cc1cccc(Br)c1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301354 562825046 /nfs/dbraw/zinc/82/50/46/562825046.db2.gz XMRVZWAZZPPMNZ-UHFFFAOYSA-N 0 0 544.471 4.256 1 0 KIAFRN CCN(Cc1ccc(Br)cc1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301356 562825033 /nfs/dbraw/zinc/82/50/33/562825033.db2.gz HLBFFMONNQDOQZ-UHFFFAOYSA-N 0 0 544.471 4.256 1 0 KIAFRN Fc1ccc([C@H](COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n32)N2CCOCC2)cc1F ZINC000103303366 562825038 /nfs/dbraw/zinc/82/50/38/562825038.db2.gz MTYMSRWFPISKOF-FQEVSTJZSA-N 0 0 503.456 4.123 1 0 KIAFRN Fc1ccc([C@@H](COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n32)N2CCOCC2)cc1F ZINC000103303368 562825030 /nfs/dbraw/zinc/82/50/30/562825030.db2.gz MTYMSRWFPISKOF-HXUWFJFHSA-N 0 0 503.456 4.123 1 0 KIAFRN CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CCC(=O)[C@H]3CC[C@]3(C)[C@@H](O)CC[C@@H]3C3=COC(=O)C3)C2)O[C@H](C)[C@@H]1O ZINC000103564210 560051575 /nfs/dbraw/zinc/05/15/75/560051575.db2.gz YKUFOFIYJASOQH-RDQCYYIYSA-N 0 0 534.690 4.056 1 0 biogenic,in-vitro KIAFRN CC[C@@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O ZINC000103576907 291834488 /nfs/dbraw/zinc/83/44/88/291834488.db2.gz GVFKEVFAPIUOAI-NOPNKSRESA-N 0 0 568.718 4.096 1 0 biogenic,in-vitro KIAFRN C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)c4ccccc4)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C=C[C@@]14C3=O)C2(C)C ZINC000103582243 291846305 /nfs/dbraw/zinc/84/63/05/291846305.db2.gz OURGGWDFRRNAPH-LPDJKADNSA-N 0 0 542.628 4.155 1 0 biogenic,in-vitro KIAFRN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccccc2)cc1 ZINC000105465070 562825222 /nfs/dbraw/zinc/82/52/22/562825222.db2.gz QYIWBMZXHWIGQY-JKAXMSHYSA-N 0 0 619.674 4.132 1 0 KIAFRN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1 ZINC000105465081 562825234 /nfs/dbraw/zinc/82/52/34/562825234.db2.gz QYIWBMZXHWIGQY-KAEAKBMOSA-N 0 0 619.674 4.132 1 0 KIAFRN CCN1c2ccccc2[C@@H]([C@H](SC)S(=O)(=O)c2ccc(C)cc2)[C@@]2(Cl)C(=O)N(C)C(=O)N=C12 ZINC000105497703 562825352 /nfs/dbraw/zinc/82/53/52/562825352.db2.gz WEWIUIRZQURFFB-YYDVJCTNSA-N 0 0 506.049 4.050 1 0 KIAFRN O=C(c1nn(-c2cccc(Nc3ccccc3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112939955 562825481 /nfs/dbraw/zinc/82/54/81/562825481.db2.gz PIQZHHHWSYAYGT-UHFFFAOYSA-N 0 0 500.580 4.043 1 0 KIAFRN O=C(c1nn([C@H]2CCCN(CCC(C(F)(F)F)C(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941277 562825672 /nfs/dbraw/zinc/82/56/72/562825672.db2.gz CHYGZQVJMLTYPP-INIZCTEOSA-N 0 0 594.578 4.078 1 0 KIAFRN O=C(c1nn([C@@H]2CCCN(CCC(C(F)(F)F)C(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941279 562825750 /nfs/dbraw/zinc/82/57/50/562825750.db2.gz CHYGZQVJMLTYPP-MRXNPFEDSA-N 0 0 594.578 4.078 1 0 KIAFRN COCCN(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCC1 ZINC000113089089 562826149 /nfs/dbraw/zinc/82/61/49/562826149.db2.gz SPBZPOFUENVKTI-HHHXNRCGSA-N 0 0 521.637 4.345 1 0 KIAFRN CC(=O)N(c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1)C1CCCCC1 ZINC000113089345 562826179 /nfs/dbraw/zinc/82/61/79/562826179.db2.gz CSYDDYLNKHVTJI-AREMUKBSSA-N 0 0 505.594 4.245 1 0 KIAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(NC(=O)OCc3ccccc3)cc2)C1 ZINC000113089727 562826172 /nfs/dbraw/zinc/82/61/72/562826172.db2.gz JRDUSKCZHQQBLN-RUZDIDTESA-N 0 0 515.545 4.308 1 0 KIAFRN Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OC3CCN(C(=O)c4ccccc4)CC3)cc2)C1 ZINC000113090375 562826173 /nfs/dbraw/zinc/82/61/73/562826173.db2.gz QBIYHFAEBHFUHQ-GDLZYMKVSA-N 0 0 569.637 4.243 1 0 KIAFRN Cc1cc(N2CCN(c3ccc([C@@H]4CN(c5nc(-c6ccncc6F)cc(=O)n5C)CCO4)cc3)CC2)n(-c2ccccc2)n1 ZINC000113090807 562826226 /nfs/dbraw/zinc/82/62/26/562826226.db2.gz AHNLRUNBRQDITD-HKBQPEDESA-N 0 0 606.706 4.380 1 0 KIAFRN Cc1cc(N2CCN(c3ccc([C@H]4CN(c5nc(-c6ccncc6F)cc(=O)n5C)CCO4)cc3)CC2)n(-c2ccccc2)n1 ZINC000113090811 562826195 /nfs/dbraw/zinc/82/61/95/562826195.db2.gz AHNLRUNBRQDITD-WJOKGBTCSA-N 0 0 606.706 4.380 1 0 KIAFRN COc1cccc(-c2cc3c4ccc(C(=O)N5CCN(Cc6cccnc6)CC5)cc4[nH]c3c(C(N)=O)c2)c1 ZINC000113194943 562826322 /nfs/dbraw/zinc/82/63/22/562826322.db2.gz CPBACDKILHFCND-UHFFFAOYSA-N 0 0 519.605 4.449 1 0 KIAFRN NC(=O)c1cc(-c2ccc(OCCN3CCCOCC3)c(Cl)c2)nc2c3ccc(N4CCOCC4)cc3[nH]c21 ZINC000113199429 562826371 /nfs/dbraw/zinc/82/63/71/562826371.db2.gz GFSSKROSRDYFCF-UHFFFAOYSA-N 0 0 550.059 4.073 1 0 KIAFRN NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c3cc(C(=O)NCCN4CCOCC4)ccc3[nH]c21 ZINC000113201502 562826341 /nfs/dbraw/zinc/82/63/41/562826341.db2.gz LOGWDFWDNBIUSV-UHFFFAOYSA-N 0 0 511.409 4.456 1 0 KIAFRN Cc1nc2[nH]cnc2c(-c2cc(Cc3ccc(S(C)(=O)=O)cc3)cnc2Nc2cccc3n[nH]cc32)n1 ZINC000113236623 562826343 /nfs/dbraw/zinc/82/63/43/562826343.db2.gz VGJBXOYQBVHQQQ-UHFFFAOYSA-N 0 0 510.583 4.338 1 0 KIAFRN COCCOc1ccc(NC(=O)Nc2ccc(Nc3ncc(Cl)cc3-c3nc(C)nc(N)n3)cn2)cc1 ZINC000113242518 562826382 /nfs/dbraw/zinc/82/63/82/562826382.db2.gz ONDSOJOVVNNBHE-UHFFFAOYSA-N 0 0 521.969 4.285 1 0 KIAFRN COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3(C(=O)NCc4ccccc4)CC3)nc12 ZINC000113275994 562826386 /nfs/dbraw/zinc/82/63/86/562826386.db2.gz IWAKHHHIIHQNAK-UHFFFAOYSA-N 0 0 510.381 4.213 1 0 KIAFRN COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000113482677 562826491 /nfs/dbraw/zinc/82/64/91/562826491.db2.gz XHJSLRDLCDWYCJ-INIZCTEOSA-N 0 0 502.612 4.109 1 0 KIAFRN COc1ccc(-n2nc(C(C)(C)C)cc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000113482679 562826523 /nfs/dbraw/zinc/82/65/23/562826523.db2.gz XHJSLRDLCDWYCJ-MRXNPFEDSA-N 0 0 502.612 4.109 1 0 KIAFRN C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113486552 562826554 /nfs/dbraw/zinc/82/65/54/562826554.db2.gz QSMNOKNPEPLVBN-GFCCVEGCSA-N 0 0 518.920 4.475 1 0 KIAFRN C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113486554 562826563 /nfs/dbraw/zinc/82/65/63/562826563.db2.gz QSMNOKNPEPLVBN-LBPRGKRZSA-N 0 0 518.920 4.475 1 0 KIAFRN COc1cc([C@@H](C)C(=O)NCc2cc(C(F)(F)F)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O ZINC000113486659 562826556 /nfs/dbraw/zinc/82/65/56/562826556.db2.gz BJOHMPNMJMXUFX-CYBMUJFWSA-N 0 0 530.956 4.345 1 0 KIAFRN COc1cc([C@H](C)C(=O)NCc2cc(C(F)(F)F)nn2-c2cccc(Cl)c2)ccc1NS(C)(=O)=O ZINC000113486663 562826573 /nfs/dbraw/zinc/82/65/73/562826573.db2.gz BJOHMPNMJMXUFX-ZDUSSCGKSA-N 0 0 530.956 4.345 1 0 KIAFRN Cc1c(CNC(=O)[C@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)n(-c2cccc(Cl)c2)nc1C(F)(F)F ZINC000113487339 562826539 /nfs/dbraw/zinc/82/65/39/562826539.db2.gz GYIPJSXLAKWECL-CYBMUJFWSA-N 0 0 546.974 4.461 1 0 KIAFRN Cc1c(CNC(=O)[C@@H](C)c2ccc(CNS(C)(=O)=O)c(F)c2)n(-c2cccc(Cl)c2)nc1C(F)(F)F ZINC000113487342 562826571 /nfs/dbraw/zinc/82/65/71/562826571.db2.gz GYIPJSXLAKWECL-ZDUSSCGKSA-N 0 0 546.974 4.461 1 0 KIAFRN C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113487875 562826541 /nfs/dbraw/zinc/82/65/41/562826541.db2.gz REFSKWWRGFCGDO-GFCCVEGCSA-N 0 0 518.920 4.475 1 0 KIAFRN C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000113487877 562826559 /nfs/dbraw/zinc/82/65/59/562826559.db2.gz REFSKWWRGFCGDO-LBPRGKRZSA-N 0 0 518.920 4.475 1 0 KIAFRN C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(CNS(C)(=O)=O)c(F)c1 ZINC000113488447 562826570 /nfs/dbraw/zinc/82/65/70/562826570.db2.gz WATHJNNAJVOWQL-MRXNPFEDSA-N 0 0 521.058 4.431 1 0 KIAFRN C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(CNS(C)(=O)=O)c(F)c1 ZINC000113488450 562826534 /nfs/dbraw/zinc/82/65/34/562826534.db2.gz WATHJNNAJVOWQL-INIZCTEOSA-N 0 0 521.058 4.431 1 0 KIAFRN C[C@@H](C(=O)NCc1cc(C(F)(F)F)nn1C1CCCCC1)c1ccc(CNS(C)(=O)=O)c(F)c1 ZINC000113490040 562826620 /nfs/dbraw/zinc/82/66/20/562826620.db2.gz QXCGQFCARINXCC-CQSZACIVSA-N 0 0 504.550 4.015 1 0 KIAFRN C[C@H](C(=O)NCc1cc(C(F)(F)F)nn1C1CCCCC1)c1ccc(CNS(C)(=O)=O)c(F)c1 ZINC000113490041 562826592 /nfs/dbraw/zinc/82/65/92/562826592.db2.gz QXCGQFCARINXCC-AWEZNQCLSA-N 0 0 504.550 4.015 1 0 KIAFRN COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c21 ZINC000113490679 562826583 /nfs/dbraw/zinc/82/65/83/562826583.db2.gz CQCHGINJELMJDM-UHFFFAOYSA-N 0 0 512.416 4.295 1 0 KIAFRN COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)cc1OC ZINC000113565252 562826594 /nfs/dbraw/zinc/82/65/94/562826594.db2.gz ZGXGPHKGTFHPBL-OAQYLSRUSA-N 0 0 506.628 4.378 1 0 KIAFRN O=C(c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000113663216 562826685 /nfs/dbraw/zinc/82/66/85/562826685.db2.gz QIWPYOTWFPQUMF-UHFFFAOYSA-N 0 0 518.570 4.222 1 0 KIAFRN CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-c4ccc(Oc5ccc(F)cc5)cc4)n3)CC2)c1 ZINC000113667708 562826707 /nfs/dbraw/zinc/82/67/07/562826707.db2.gz YKEHPVZQEQULHO-UHFFFAOYSA-N 0 0 595.674 4.230 1 0 KIAFRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)CC1 ZINC000113668521 562826687 /nfs/dbraw/zinc/82/66/87/562826687.db2.gz IUFQSVOPRWJQQJ-UHFFFAOYSA-N 0 0 536.585 4.432 1 0 KIAFRN Nc1n[nH]c2cc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)[C@@H]4CCc5c(N)nccc5C4)nc3Cl)ccc12 ZINC000113724961 562826709 /nfs/dbraw/zinc/82/67/09/562826709.db2.gz ICSJXVUUSDNFIJ-GCJKJVERSA-N 0 0 527.032 4.371 1 0 KIAFRN O=c1n2c(ccn1Cc1ccccc1)ncc2-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000113764893 562826724 /nfs/dbraw/zinc/82/67/24/562826724.db2.gz LJDVGNJQONKGPF-UHFFFAOYSA-N 0 0 509.950 4.200 1 0 KIAFRN COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5ccncc5)c4C3=O)nc3ccccc3c2=O)cc1 ZINC000113767382 562826720 /nfs/dbraw/zinc/82/67/20/562826720.db2.gz NIKUASQUBIYITJ-UHFFFAOYSA-N 0 0 502.530 4.295 1 0 KIAFRN Cc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC(C)C)c3C1=O)n(-c1ccc3cnn(C)c3c1)c2=O ZINC000113767551 562826722 /nfs/dbraw/zinc/82/67/22/562826722.db2.gz RIWAAUCMKQVYIN-UHFFFAOYSA-N 0 0 521.577 4.207 1 0 KIAFRN CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc(OCCF)cc1)C2=O ZINC000113770409 562826733 /nfs/dbraw/zinc/82/67/33/562826733.db2.gz YLIKQOMAHCESOT-UHFFFAOYSA-N 0 0 515.541 4.360 1 0 KIAFRN COc1ccc(-n2c(CCN3C(=O)c4cccc(OCC(F)(F)F)c4C3=O)nc3ccccc3c2=O)cc1 ZINC000113770621 562826726 /nfs/dbraw/zinc/82/67/26/562826726.db2.gz GZIXHCWJCRDAFZ-UHFFFAOYSA-N 0 0 523.467 4.174 1 0 KIAFRN C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1ccc(Cl)cc1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000113826702 562826736 /nfs/dbraw/zinc/82/67/36/562826736.db2.gz RKEYNFCXIQULBK-HNNXBMFYSA-N 0 0 519.955 4.485 1 0 KIAFRN CCOc1ccc(C(=O)N2CCc3nc(N[C@@H](C)c4ccc(C(F)(F)F)cc4)n(OC)c(=O)c3C2)cc1 ZINC000113827629 562826763 /nfs/dbraw/zinc/82/67/63/562826763.db2.gz WZVABFGIISCZFI-INIZCTEOSA-N 0 0 516.520 4.091 1 0 KIAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)COc1ccc(Cl)cc1)C2 ZINC000113829101 562826759 /nfs/dbraw/zinc/82/67/59/562826759.db2.gz CAJBULXBCHTSHU-HNNXBMFYSA-N 0 0 536.938 4.111 1 0 KIAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000113829137 562826760 /nfs/dbraw/zinc/82/67/60/562826760.db2.gz OKAQLHMRGWUDIT-AWEZNQCLSA-N 0 0 506.912 4.346 1 0 KIAFRN COc1ccc2oc(C(=O)N3CCc4nc(N[C@@H](C)c5ccc(C(F)(F)F)cc5)n(OC)c(=O)c4C3)cc2c1 ZINC000113829298 562826784 /nfs/dbraw/zinc/82/67/84/562826784.db2.gz LUPZBZULIIFING-HNNXBMFYSA-N 0 0 542.514 4.447 1 0 KIAFRN COn1c(=O)c2c(nc1N[C@H](c1ccc(Cl)cc1)C(C)C)CCN(C(=O)c1ccc(-n3ccnc3)cc1)C2 ZINC000113829353 562826782 /nfs/dbraw/zinc/82/67/82/562826782.db2.gz CQMGWYKAOYFMGL-VWLOTQADSA-N 0 0 533.032 4.149 1 0 KIAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1ccc(Cl)s1)C2 ZINC000113831045 562826809 /nfs/dbraw/zinc/82/68/09/562826809.db2.gz NUWZTQHXTNFRCY-LBPRGKRZSA-N 0 0 512.941 4.407 1 0 KIAFRN COc1cc(Cl)ccc1C(=O)N1CCc2nc(N[C@@H](C)c3ccc(C(F)(F)F)cc3)n(OC)c(=O)c2C1 ZINC000113831093 562826807 /nfs/dbraw/zinc/82/68/07/562826807.db2.gz WWYPZAXBISKTNF-AWEZNQCLSA-N 0 0 536.938 4.354 1 0 KIAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc3cccnc3s1)CC2 ZINC000113831096 562826798 /nfs/dbraw/zinc/82/67/98/562826798.db2.gz LVWFGIIPYWSKIX-AWEZNQCLSA-N 0 0 529.544 4.302 1 0 KIAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cnc3ccccc3c1)CC2 ZINC000113831730 562826791 /nfs/dbraw/zinc/82/67/91/562826791.db2.gz IVSFHOPYUVFWPS-INIZCTEOSA-N 0 0 523.515 4.240 1 0 KIAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC000113831849 562826793 /nfs/dbraw/zinc/82/67/93/562826793.db2.gz NBBWMTCTNBMXIN-KRWDZBQOSA-N 0 0 500.521 4.309 1 0 KIAFRN COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)c(F)c1)CC2 ZINC000113831902 562826788 /nfs/dbraw/zinc/82/67/88/562826788.db2.gz UOCLFFRAGZKHRQ-HNNXBMFYSA-N 0 0 504.484 4.140 1 0 KIAFRN COn1c(=O)c2c(nc1N[C@@H](C)c1ccc(C(F)(F)F)cc1)CCN(C(=O)c1cc(-c3cccs3)n(C)n1)C2 ZINC000113831930 562826804 /nfs/dbraw/zinc/82/68/04/562826804.db2.gz FUIRXOGPVHEATL-HNNXBMFYSA-N 0 0 558.586 4.154 1 0 KIAFRN C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1c(F)cc(F)cc1F)CC2)c1ccc(C(F)(F)F)cc1 ZINC000113851857 562826812 /nfs/dbraw/zinc/82/68/12/562826812.db2.gz DQOWFXIXNOWONE-ZDUSSCGKSA-N 0 0 539.480 4.249 1 0 KIAFRN C[C@H](Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)COc1ccc(Cl)cc1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000113859743 562826902 /nfs/dbraw/zinc/82/69/02/562826902.db2.gz JQJJQEVHPXNZII-INIZCTEOSA-N 0 0 549.981 4.250 1 0 KIAFRN CCOCC1CCN(C(=O)c2cc3c4c(cnn4C4CCOCC4)c(=O)[nH]c3cc2C(F)(F)F)CC1 ZINC000113902053 562826921 /nfs/dbraw/zinc/82/69/21/562826921.db2.gz ZSCHVXBXQPWPKZ-UHFFFAOYSA-N 0 0 506.525 4.137 1 0 KIAFRN COc1ccccc1-c1ccc2cnc(Nc3ccc([C@@]4(O)CCN(C(=O)OC(C)(C)C)C[C@@H]4O)cc3OC)nn21 ZINC000114011532 562826917 /nfs/dbraw/zinc/82/69/17/562826917.db2.gz AEFQMQXPGQEKCA-YZNIXAGQSA-N 0 0 561.639 4.346 1 0 KIAFRN COc1ccc(-c2nn3c(-c4cnc(N5CCN(C)CC5)c(C(F)(F)F)c4)cnc3s2)cc1OC ZINC000114041138 562827439 /nfs/dbraw/zinc/82/74/39/562827439.db2.gz TYUAFSOVSKDGIB-UHFFFAOYSA-N 0 0 504.538 4.308 1 0 KIAFRN Cc1noc(C)c1-c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(Cl)c2)c1C ZINC000114091998 562827559 /nfs/dbraw/zinc/82/75/59/562827559.db2.gz QYWSDDYRNPGJNA-UHFFFAOYSA-N 0 0 526.014 4.405 1 0 in-vitro KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2N(C)CC3)CCO1 ZINC000114097435 562827531 /nfs/dbraw/zinc/82/75/31/562827531.db2.gz AHUDDQRIZCYSTB-SANMLTNESA-N 0 0 528.093 4.379 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2N(C)CC3)CCO1 ZINC000114097437 562827554 /nfs/dbraw/zinc/82/75/54/562827554.db2.gz AHUDDQRIZCYSTB-AREMUKBSSA-N 0 0 528.093 4.379 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2CCN3)CCO1 ZINC000114098796 562827575 /nfs/dbraw/zinc/82/75/75/562827575.db2.gz IWXKVCFQGOWIFS-SANMLTNESA-N 0 0 514.066 4.355 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2CCN3)CCO1 ZINC000114098798 562827534 /nfs/dbraw/zinc/82/75/34/562827534.db2.gz IWXKVCFQGOWIFS-AREMUKBSSA-N 0 0 514.066 4.355 1 0 KIAFRN CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000114099613 562827603 /nfs/dbraw/zinc/82/76/03/562827603.db2.gz WIBPEXGUJXJZGV-DEOSSOPVSA-N 0 0 517.464 4.496 1 0 KIAFRN CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000114099615 562827589 /nfs/dbraw/zinc/82/75/89/562827589.db2.gz WIBPEXGUJXJZGV-XMMPIXPASA-N 0 0 517.464 4.496 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2CCN3C)CCO1 ZINC000114100367 562827690 /nfs/dbraw/zinc/82/76/90/562827690.db2.gz QBDKQBVTGWBLDY-MHZLTWQESA-N 0 0 528.093 4.379 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2CCN3C)CCO1 ZINC000114100368 562827746 /nfs/dbraw/zinc/82/77/46/562827746.db2.gz QBDKQBVTGWBLDY-HHHXNRCGSA-N 0 0 528.093 4.379 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2OCC3)CCO1 ZINC000114100672 562827701 /nfs/dbraw/zinc/82/77/01/562827701.db2.gz VJMDABLSVHGUQL-VWLOTQADSA-N 0 0 515.050 4.322 1 0 KIAFRN CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2OCC3)CCO1 ZINC000114100674 562827682 /nfs/dbraw/zinc/82/76/82/562827682.db2.gz VJMDABLSVHGUQL-RUZDIDTESA-N 0 0 515.050 4.322 1 0 KIAFRN CN1CCN(C(=O)N2Cc3c(NC(=O)c4cc5ccccc5o4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000114182399 562827869 /nfs/dbraw/zinc/82/78/69/562827869.db2.gz FQUMCNJMGIFAFK-NRFANRHFSA-N 0 0 512.614 4.438 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/C[C@@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1cc-2nc(C)n1 ZINC000114222827 562827934 /nfs/dbraw/zinc/82/79/34/562827934.db2.gz LDTFKNLWDOWHAL-VJPRMDLISA-N 0 0 600.039 4.419 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)NC(=O)C/C=C/C[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1cc-2nc(C)n1 ZINC000114222830 562827932 /nfs/dbraw/zinc/82/79/32/562827932.db2.gz LDTFKNLWDOWHAL-WDMWQNCGSA-N 0 0 600.039 4.419 1 0 KIAFRN O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@H]1CCCCC(=O)Nc2cnccc2-c2ccnc1c2 ZINC000114224087 562827933 /nfs/dbraw/zinc/82/79/33/562827933.db2.gz GCRCIHBTDPPYDD-FERLCFGISA-N 0 0 514.977 4.156 1 0 KIAFRN NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)c3)ncnc12 ZINC000114345466 562827979 /nfs/dbraw/zinc/82/79/79/562827979.db2.gz HLGQFYSTVZBBCM-UHFFFAOYSA-N 0 0 550.541 4.449 1 0 KIAFRN COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2F)c1 ZINC000114346789 562828006 /nfs/dbraw/zinc/82/80/06/562828006.db2.gz DLYWLUNYSQBOLW-HSZRJFAPSA-N 0 0 503.534 4.318 1 0 KIAFRN COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2F)c1 ZINC000114346791 562828041 /nfs/dbraw/zinc/82/80/41/562828041.db2.gz DLYWLUNYSQBOLW-QHCPKHFHSA-N 0 0 503.534 4.318 1 0 KIAFRN COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1 ZINC000114347346 562828039 /nfs/dbraw/zinc/82/80/39/562828039.db2.gz RQYTYYKPVBSSQC-JOCHJYFZSA-N 0 0 503.534 4.318 1 0 KIAFRN COCC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1 ZINC000114347349 562828029 /nfs/dbraw/zinc/82/80/29/562828029.db2.gz RQYTYYKPVBSSQC-QFIPXVFZSA-N 0 0 503.534 4.318 1 0 KIAFRN NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Br)cc54)c3)ncnc12 ZINC000114349480 562828109 /nfs/dbraw/zinc/82/81/09/562828109.db2.gz CCEKMBJKVCNECK-UHFFFAOYSA-N 0 0 516.359 4.232 1 0 KIAFRN Cn1cc(-c2ccc(F)c(F)c2F)c(C[NH+]2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)n1 ZINC000114361924 562828171 /nfs/dbraw/zinc/82/81/71/562828171.db2.gz XYNOUFSWLOPVQX-UHFFFAOYSA-N 0 0 500.477 4.194 1 0 KIAFRN Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CNc2cc(N(C)C)ccc2C1=O ZINC000114435000 562828199 /nfs/dbraw/zinc/82/81/99/562828199.db2.gz YUHSJSUPLOJMDJ-UHFFFAOYSA-N 0 0 593.688 4.068 1 0 KIAFRN Cc1c(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)n(C)c2)cccc1N1CNc2cc(C(C)(C)O)ccc2C1=O ZINC000114438236 562828205 /nfs/dbraw/zinc/82/82/05/562828205.db2.gz OMSXEGFXBWUSRM-UHFFFAOYSA-N 0 0 608.699 4.229 1 0 KIAFRN CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC)c2cc(C(=O)Nc3cccc(F)c3)ccc2O1 ZINC000114514588 562828265 /nfs/dbraw/zinc/82/82/65/562828265.db2.gz HSYMGYSIAUPNSP-QFIPXVFZSA-N 0 0 548.976 4.259 1 0 KIAFRN CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2OC)c2cc(C(=O)Nc3cccc(F)c3)ccc2O1 ZINC000114514590 562828262 /nfs/dbraw/zinc/82/82/62/562828262.db2.gz HSYMGYSIAUPNSP-JOCHJYFZSA-N 0 0 548.976 4.259 1 0 KIAFRN Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000114598564 562828317 /nfs/dbraw/zinc/82/83/17/562828317.db2.gz UVIRMXOGFYHFJB-UHFFFAOYSA-N 0 0 504.678 4.449 1 0 KIAFRN O=S(=O)(NCCCCN1CCN(c2nsc3ccccc32)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000114599351 562828324 /nfs/dbraw/zinc/82/83/24/562828324.db2.gz PXFNUVRXAKDHRD-UHFFFAOYSA-N 0 0 514.595 4.076 1 0 KIAFRN Cc1c2cc(F)ccc2sc1S(=O)(=O)NCCCCN1CCN(c2noc3ccccc32)CC1 ZINC000114599869 562828328 /nfs/dbraw/zinc/82/83/28/562828328.db2.gz RJBZCOQIWDMFST-UHFFFAOYSA-N 0 0 502.637 4.371 1 0 KIAFRN Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)cc12 ZINC000114712178 562828423 /nfs/dbraw/zinc/82/84/23/562828423.db2.gz UIHQKQYSDRTJJI-UHFFFAOYSA-N 0 0 502.662 4.309 1 0 KIAFRN Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc12 ZINC000114712594 562828414 /nfs/dbraw/zinc/82/84/14/562828414.db2.gz QJIAPMFFINLBBQ-UHFFFAOYSA-N 0 0 501.678 4.100 1 0 KIAFRN Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc12 ZINC000114713545 562828436 /nfs/dbraw/zinc/82/84/36/562828436.db2.gz RRCINTLKVIQAAJ-UHFFFAOYSA-N 0 0 501.678 4.100 1 0 KIAFRN Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3cccc(S(=O)(=O)N4CCC(O)CC4)c3)cc12 ZINC000114713561 562828427 /nfs/dbraw/zinc/82/84/27/562828427.db2.gz OUPPORYMRSKDHP-UHFFFAOYSA-N 0 0 502.662 4.309 1 0 KIAFRN COCCNC(=O)COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C ZINC000114774308 562828470 /nfs/dbraw/zinc/82/84/70/562828470.db2.gz BFXMIEZUXQDHNZ-UHFFFAOYSA-N 0 0 510.900 4.153 1 0 KIAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(c1ncc[nH]1)CC2 ZINC000114977054 562828519 /nfs/dbraw/zinc/82/85/19/562828519.db2.gz NRWXBSIRGDZNFE-VWLOTQADSA-N 0 0 512.651 4.483 1 0 KIAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(c1ncc[nH]1)CC2 ZINC000114977057 562828535 /nfs/dbraw/zinc/82/85/35/562828535.db2.gz NRWXBSIRGDZNFE-RUZDIDTESA-N 0 0 512.651 4.483 1 0 KIAFRN Cc1c(NC(=O)c2ncc(C(C)(C)C)cn2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115155264 562828740 /nfs/dbraw/zinc/82/87/40/562828740.db2.gz RVUVEXMFWAUCEF-UHFFFAOYSA-N 0 0 581.677 4.312 1 0 KIAFRN Cc1c(NC(=O)c2ccc(C(C)(C)O)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115156651 562828739 /nfs/dbraw/zinc/82/87/39/562828739.db2.gz BAIPMFRRLZWORK-UHFFFAOYSA-N 0 0 581.673 4.451 1 0 KIAFRN Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115157161 562828755 /nfs/dbraw/zinc/82/87/55/562828755.db2.gz LIENQOIGGNHRMH-UHFFFAOYSA-N 0 0 566.662 4.290 1 0 KIAFRN Cc1c(NC(=O)c2cnc(C(C)(C)C)nc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115158722 562828724 /nfs/dbraw/zinc/82/87/24/562828724.db2.gz NRMBZHVLFQPBAP-UHFFFAOYSA-N 0 0 581.677 4.312 1 0 KIAFRN Cc1c(NC(=O)c2cnc(C(C)(C)C)cn2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115159878 562828752 /nfs/dbraw/zinc/82/87/52/562828752.db2.gz GFKTZGSMJNFNJY-UHFFFAOYSA-N 0 0 581.677 4.312 1 0 KIAFRN CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)c1ccnc2c(-c3ccc(S(C)(=O)=O)cc3)cnn21 ZINC000115655266 562829018 /nfs/dbraw/zinc/82/90/18/562829018.db2.gz JUNXVGUJIMNTOV-SFHVURJKSA-N 0 0 501.967 4.482 1 0 KIAFRN CCOC(=O)[C@H](Cc1c(F)cccc1Cl)c1ccnc2c(-c3ccc(S(C)(=O)=O)cc3)cnn21 ZINC000115655269 562829040 /nfs/dbraw/zinc/82/90/40/562829040.db2.gz JUNXVGUJIMNTOV-GOSISDBHSA-N 0 0 501.967 4.482 1 0 KIAFRN COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2O)n1-c1ccc2c(ccn2C)c1 ZINC000115808948 562829019 /nfs/dbraw/zinc/82/90/19/562829019.db2.gz PHZABDUYNKJYCK-UHFFFAOYSA-N 0 0 536.585 4.139 1 0 KIAFRN Cn1cc(-c2cccc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccncn2)c1=O ZINC000116053459 562829153 /nfs/dbraw/zinc/82/91/53/562829153.db2.gz LRUSCQLECOYKHK-UHFFFAOYSA-N 0 0 513.623 4.221 1 0 KIAFRN Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc(CN3CCOCC3)cn2)c1=O ZINC000116053639 562829124 /nfs/dbraw/zinc/82/91/24/562829124.db2.gz MKFRUHZEEJGWQG-UHFFFAOYSA-N 0 0 626.733 4.241 1 0 KIAFRN Cc1cc(Nc2cc(-c3cc(F)cc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)n[nH]1 ZINC000116054985 562829192 /nfs/dbraw/zinc/82/91/92/562829192.db2.gz AQLUMYBSCPDJDB-UHFFFAOYSA-N 0 0 530.604 4.046 1 0 KIAFRN Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc3c(n2)CCN(C2COC2)C3)c1=O ZINC000116055757 562829235 /nfs/dbraw/zinc/82/92/35/562829235.db2.gz LHPRDPHIUABEEK-UHFFFAOYSA-N 0 0 638.744 4.166 1 0 KIAFRN Cn1cc(-c2cccc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2cc(C3CC3)[nH]n2)c1=O ZINC000116055888 562829239 /nfs/dbraw/zinc/82/92/39/562829239.db2.gz DXYGFAXKRATVFP-UHFFFAOYSA-N 0 0 524.625 4.229 1 0 KIAFRN C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)N[C@@H]3CCOC3=O)c2)c1)c1ccc2c(c1)OCCO2 ZINC000116227401 562829283 /nfs/dbraw/zinc/82/92/83/562829283.db2.gz RBVNAVLAXTVQOZ-WPKWZQBGSA-N 0 0 620.609 4.122 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NC[C@@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116235697 562829280 /nfs/dbraw/zinc/82/92/80/562829280.db2.gz IFTIQQFNNNAYRY-LJQANCHMSA-N 0 0 519.533 4.044 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NC[C@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116235700 562829279 /nfs/dbraw/zinc/82/92/79/562829279.db2.gz IFTIQQFNNNAYRY-IBGZPJMESA-N 0 0 519.533 4.044 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)N(C)C[C@@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116236117 562829320 /nfs/dbraw/zinc/82/93/20/562829320.db2.gz RSXOSSPPRGFOTE-HSZRJFAPSA-N 0 0 618.666 4.282 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)N(C)C[C@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116236120 562829315 /nfs/dbraw/zinc/82/93/15/562829315.db2.gz RSXOSSPPRGFOTE-QHCPKHFHSA-N 0 0 618.666 4.282 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)OC[C@@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116238139 562829336 /nfs/dbraw/zinc/82/93/36/562829336.db2.gz QHWJRQVVIZMMLO-IBGZPJMESA-N 0 0 520.517 4.471 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)OC[C@H](O)CO)c[nH]4)c3)cc2)c1 ZINC000116238141 562829327 /nfs/dbraw/zinc/82/93/27/562829327.db2.gz QHWJRQVVIZMMLO-LJQANCHMSA-N 0 0 520.517 4.471 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCC(=O)N5CC[C@H](O)C5)c[nH]4)c3)cc2)c1 ZINC000116238238 562829387 /nfs/dbraw/zinc/82/93/87/562829387.db2.gz PDAYIWHTYUAJNN-NRFANRHFSA-N 0 0 572.597 4.284 1 0 KIAFRN COc1cnc(-n2cnc(C(F)(F)F)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c21 ZINC000116492669 562829399 /nfs/dbraw/zinc/82/93/99/562829399.db2.gz ZGNFHIGAMQDNNF-UHFFFAOYSA-N 0 0 547.497 4.001 1 0 KIAFRN C[C@@H](Nc1cccc(Cl)c1F)c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116734648 562829483 /nfs/dbraw/zinc/82/94/83/562829483.db2.gz QWELDBADLWQWPE-MRXNPFEDSA-N 0 0 529.996 4.192 1 0 KIAFRN C[C@H](Nc1cccc(Cl)c1F)c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116734650 562829472 /nfs/dbraw/zinc/82/94/72/562829472.db2.gz QWELDBADLWQWPE-INIZCTEOSA-N 0 0 529.996 4.192 1 0 KIAFRN C[C@H](c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCO[C@H](C)C3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116734733 562829490 /nfs/dbraw/zinc/82/94/90/562829490.db2.gz YBTVDTVQVKUGKQ-QZTJIDSGSA-N 0 0 541.595 4.091 1 0 KIAFRN C[C@@H](c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCO[C@H](C)C3)oc21)N(C)c1cc(F)cc(F)c1 ZINC000116734735 562829476 /nfs/dbraw/zinc/82/94/76/562829476.db2.gz YBTVDTVQVKUGKQ-MSOLQXFVSA-N 0 0 541.595 4.091 1 0 KIAFRN C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCSCC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116735287 562829489 /nfs/dbraw/zinc/82/94/89/562829489.db2.gz NALWAJKPXPFIRO-MRXNPFEDSA-N 0 0 515.582 4.270 1 0 KIAFRN C[C@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N2CCSCC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116735288 562829484 /nfs/dbraw/zinc/82/94/84/562829484.db2.gz NALWAJKPXPFIRO-INIZCTEOSA-N 0 0 515.582 4.270 1 0 KIAFRN COC1CCN(C(=O)c2cc3c(=O)cc(N4CCOCC4)oc3c([C@@H](C)Nc3cc(F)cc(F)c3)c2)CC1 ZINC000116737277 562829518 /nfs/dbraw/zinc/82/95/18/562829518.db2.gz NPHFDMVGVJUVFW-QGZVFWFLSA-N 0 0 527.568 4.332 1 0 KIAFRN COC1CCN(C(=O)c2cc3c(=O)cc(N4CCOCC4)oc3c([C@H](C)Nc3cc(F)cc(F)c3)c2)CC1 ZINC000116737281 562829500 /nfs/dbraw/zinc/82/95/00/562829500.db2.gz NPHFDMVGVJUVFW-KRWDZBQOSA-N 0 0 527.568 4.332 1 0 KIAFRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116738015 562829502 /nfs/dbraw/zinc/82/95/02/562829502.db2.gz LOZXYCZOUIIKJO-MRXNPFEDSA-N 0 0 529.996 4.192 1 0 KIAFRN C[C@H](Nc1ccc(F)c(Cl)c1)c1cc(C(=O)N2CCC(O)CC2)cc2c(=O)cc(N3CCOCC3)oc21 ZINC000116738018 562829520 /nfs/dbraw/zinc/82/95/20/562829520.db2.gz LOZXYCZOUIIKJO-INIZCTEOSA-N 0 0 529.996 4.192 1 0 KIAFRN Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC000116815781 562829569 /nfs/dbraw/zinc/82/95/69/562829569.db2.gz UGHANIQBLJXNGL-JOCHJYFZSA-N 0 0 566.024 4.358 1 0 KIAFRN CC(C)S(=O)(=O)c1cc2cc(C[C@@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 ZINC000116918202 562829599 /nfs/dbraw/zinc/82/95/99/562829599.db2.gz XDLANRATEHYNAI-HSZRJFAPSA-N 0 0 529.556 4.187 1 0 KIAFRN CC(C)S(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 ZINC000116918204 562829596 /nfs/dbraw/zinc/82/95/96/562829596.db2.gz XDLANRATEHYNAI-QHCPKHFHSA-N 0 0 529.556 4.187 1 0 KIAFRN Brc1c2nc(N3CCOCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117019966 562829635 /nfs/dbraw/zinc/82/96/35/562829635.db2.gz NLJJSANLUQJQDA-UHFFFAOYSA-N 0 0 518.829 4.450 1 0 KIAFRN C[C@H](N[C@@H](Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)C(=O)Nc1nn[nH]n1)C(=O)OC(C)(C)C ZINC000117047366 562829654 /nfs/dbraw/zinc/82/96/54/562829654.db2.gz JBZSEEYKQRWFMS-DJJJIMSYSA-N 0 0 505.406 4.043 1 0 KIAFRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC(=O)Nc3nc4ccc(S(=O)(=O)CCCN5CCN(C)CC5)cc4s3)c2)n1 ZINC000117108416 562829616 /nfs/dbraw/zinc/82/96/16/562829616.db2.gz LRKSKXQFMMRSRU-UHFFFAOYSA-N 0 0 630.196 4.125 1 0 KIAFRN CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-c5ccccn5)ccc4Cl)sc3c2)CC1 ZINC000117109750 562829618 /nfs/dbraw/zinc/82/96/18/562829618.db2.gz SDXTUSYALBKCJZ-UHFFFAOYSA-N 0 0 613.165 4.385 1 0 KIAFRN CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(C5CC5)ccc4Cl)sc3c2)CC1 ZINC000117116049 562829687 /nfs/dbraw/zinc/82/96/87/562829687.db2.gz PUILZEPLTAGZCO-UHFFFAOYSA-N 0 0 576.144 4.200 1 0 KIAFRN CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(-n5cccc5)ccc4Cl)sc3c2)CC1 ZINC000117117853 562829693 /nfs/dbraw/zinc/82/96/93/562829693.db2.gz XTUADULESCXQDS-UHFFFAOYSA-N 0 0 601.154 4.114 1 0 KIAFRN NS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1 ZINC000117146735 562829682 /nfs/dbraw/zinc/82/96/82/562829682.db2.gz RICHUFIPOKYOBA-KPKJPENVSA-N 0 0 507.515 4.341 1 0 KIAFRN Brc1c2nc(NCCN3CCOCC3)[nH]c2c(Br)c(Br)c1Br ZINC000117208238 562829732 /nfs/dbraw/zinc/82/97/32/562829732.db2.gz DGCLVKNZRLPVFD-UHFFFAOYSA-N 0 0 561.898 4.357 1 0 KIAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)N(C(=N)NC#N)CC2 ZINC000117345785 562829725 /nfs/dbraw/zinc/82/97/25/562829725.db2.gz IUOSBWBYPZVTEC-DEOSSOPVSA-N 0 0 530.094 4.075 1 0 KIAFRN CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)N(C(=N)NC#N)CC2 ZINC000117345790 562829731 /nfs/dbraw/zinc/82/97/31/562829731.db2.gz IUOSBWBYPZVTEC-XMMPIXPASA-N 0 0 530.094 4.075 1 0 KIAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)N5CCCCC5)CC4)cn3)nc2n1C1CCCC1 ZINC000117718813 562829804 /nfs/dbraw/zinc/82/98/04/562829804.db2.gz UKSSOERBIHXEIJ-UHFFFAOYSA-N 0 0 545.692 4.115 1 0 KIAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(CC(F)(F)F)CC4)cn3)nc2n1C1CCCC1 ZINC000117719917 562829816 /nfs/dbraw/zinc/82/98/16/562829816.db2.gz SYAXRYQDQQFUSR-UHFFFAOYSA-N 0 0 516.572 4.071 1 0 KIAFRN Cc1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CCOCC4)ccn32)n1 ZINC000117878537 562829895 /nfs/dbraw/zinc/82/98/95/562829895.db2.gz JKGPSKZQQQRRMX-UHFFFAOYSA-N 0 0 551.651 4.276 1 0 KIAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCN5CC(OC)C5)ccn43)c12 ZINC000117880336 562829905 /nfs/dbraw/zinc/82/99/05/562829905.db2.gz QZCFZIARGAMFJH-UHFFFAOYSA-N 0 0 523.641 4.124 1 0 KIAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCC(O)CC5)ccn43)c12 ZINC000117881163 562829891 /nfs/dbraw/zinc/82/98/91/562829891.db2.gz JECFKXHCJNCOSD-UHFFFAOYSA-N 0 0 509.614 4.212 1 0 KIAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(CCN5CC(F)C5)ccn43)c12 ZINC000117885797 562829953 /nfs/dbraw/zinc/82/99/53/562829953.db2.gz RXCLCKGTMFDLIP-UHFFFAOYSA-N 0 0 511.605 4.447 1 0 KIAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CCNC6)ccn43)c12 ZINC000117888961 562829946 /nfs/dbraw/zinc/82/99/46/562829946.db2.gz PDCHDFDIHIMEBF-UHFFFAOYSA-N 0 0 531.624 4.217 1 0 KIAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(F)(F)CN)ccn43)c12 ZINC000117893837 562830039 /nfs/dbraw/zinc/83/00/39/562830039.db2.gz CFIIFDUJSFTZCM-UHFFFAOYSA-N 0 0 519.556 4.223 1 0 KIAFRN COCCOc1ccn2c(c1)ncc2C(=O)Nc1cccc2c1c(Br)nn2Cc1ccc(C)nc1 ZINC000117895324 562830016 /nfs/dbraw/zinc/83/00/16/562830016.db2.gz XFXWJTGHJAGPPS-UHFFFAOYSA-N 0 0 535.402 4.476 1 0 KIAFRN Cc1c(N2CCCC2=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118092887 562830137 /nfs/dbraw/zinc/83/01/37/562830137.db2.gz IKMPVSOZHMKEMJ-UHFFFAOYSA-N 0 0 517.605 4.241 1 0 KIAFRN Cc1ccnc(-c2nc3cc(F)ccc3c(N3CCS(=O)(=O)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118093193 562830119 /nfs/dbraw/zinc/83/01/19/562830119.db2.gz LQKZMJRXTKIWIL-UHFFFAOYSA-N 0 0 519.602 4.210 1 0 KIAFRN Cc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118097159 562830210 /nfs/dbraw/zinc/83/02/10/562830210.db2.gz AFYSXPSQKRTARI-UHFFFAOYSA-N 0 0 535.595 4.380 1 0 KIAFRN COc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCN(c5cccc(Cl)c5)CC4)ccc32)c1 ZINC000118515022 562830287 /nfs/dbraw/zinc/83/02/87/562830287.db2.gz IPIAPPMULNKACH-UHFFFAOYSA-N 0 0 512.031 4.062 1 0 KIAFRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118521129 562830286 /nfs/dbraw/zinc/83/02/86/562830286.db2.gz JZOAWDCCDWTUFD-HHHXNRCGSA-N 0 0 597.137 4.097 1 0 KIAFRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118521134 562830296 /nfs/dbraw/zinc/83/02/96/562830296.db2.gz JZOAWDCCDWTUFD-MHZLTWQESA-N 0 0 597.137 4.097 1 0 KIAFRN COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCN(c5cccc(Cl)c5)CC4)ccc32)cc1 ZINC000118522751 562830337 /nfs/dbraw/zinc/83/03/37/562830337.db2.gz RXNUCVUHASARLL-UHFFFAOYSA-N 0 0 512.031 4.062 1 0 KIAFRN COC(=O)c1ccccc1NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 ZINC000118529677 562830341 /nfs/dbraw/zinc/83/03/41/562830341.db2.gz MNDMPZSSPZBHAI-UHFFFAOYSA-N 0 0 555.056 4.232 1 0 KIAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)C5(C)O)cn3)nc2n1C1CCCCCC1 ZINC000118586897 562830388 /nfs/dbraw/zinc/83/03/88/562830388.db2.gz WCKGPGTXDGDKMB-AVKPKNPASA-N 0 0 545.688 4.400 1 0 KIAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CN(Cc6ccccc6)C[C@@H](C4)O5)cn3)nc2n1C1CCCC1 ZINC000118589987 562830397 /nfs/dbraw/zinc/83/03/97/562830397.db2.gz DAWYEQMUEUOGPC-MKPDMIMOSA-N 0 0 594.720 4.112 1 0 KIAFRN CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[C@@H](C4)N(CC(F)(F)F)C5)cn3)nc2n1C1CCCC1 ZINC000118592437 562830423 /nfs/dbraw/zinc/83/04/23/562830423.db2.gz MUMDMEZSCDFPES-UTKZUKDTSA-N 0 0 570.620 4.095 1 0 KIAFRN COC(=O)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5O[C@@]6(CC[C@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C(=O)[C@@H]32)C1 ZINC000118913815 562830819 /nfs/dbraw/zinc/83/08/19/562830819.db2.gz BCYMEDQAEFBAKK-HCXGYYCESA-N 0 0 560.728 4.448 1 0 in-vitro KIAFRN COC(=O)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(CC[C@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C(=O)[C@@H]32)C1 ZINC000118913816 562830808 /nfs/dbraw/zinc/83/08/08/562830808.db2.gz BCYMEDQAEFBAKK-PUZBOAKSSA-N 0 0 560.728 4.448 1 0 in-vitro KIAFRN COC(=O)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5O[C@@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C(=O)[C@@H]32)C1 ZINC000118919926 562830889 /nfs/dbraw/zinc/83/08/89/562830889.db2.gz BCYMEDQAEFBAKK-SVPJHVSFSA-N 0 0 560.728 4.448 1 0 KIAFRN COC(=O)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C(=O)[C@@H]32)C1 ZINC000118919927 562830883 /nfs/dbraw/zinc/83/08/83/562830883.db2.gz BCYMEDQAEFBAKK-PUCYSAKOSA-N 0 0 560.728 4.448 1 0 KIAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000136326851 562831161 /nfs/dbraw/zinc/83/11/61/562831161.db2.gz BFOUDLDYLQQVEB-DTXPUJKBSA-N 0 0 603.716 4.220 1 0 KIAFRN COC(=O)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@H]1c1ccco1 ZINC000136618438 562831202 /nfs/dbraw/zinc/83/12/02/562831202.db2.gz HSVVVXHRAQHIAQ-DERQMEARSA-N 0 0 530.621 4.163 1 0 KIAFRN C[NH2+][C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(Br)cc1 ZINC000136803196 562831258 /nfs/dbraw/zinc/83/12/58/562831258.db2.gz ISGSJNKPLMEYBU-LFPVYJDNSA-N 0 0 552.554 4.360 1 0 KIAFRN C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(Br)cc1 ZINC000136803237 562831260 /nfs/dbraw/zinc/83/12/60/562831260.db2.gz ISGSJNKPLMEYBU-BMFOWHTDSA-N 0 0 552.554 4.360 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000136839930 562831263 /nfs/dbraw/zinc/83/12/63/562831263.db2.gz TZZRRBGCPAKVFR-NUCXGXCTSA-N 0 0 632.850 4.089 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000136839984 562831271 /nfs/dbraw/zinc/83/12/71/562831271.db2.gz TZZRRBGCPAKVFR-NHRCJCGTSA-N 0 0 632.850 4.089 1 0 KIAFRN COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C2(COc3cccc(C(F)(F)F)c3)OCCO2)[C@H](O)C[C@@H]1O ZINC000136945812 562831319 /nfs/dbraw/zinc/83/13/19/562831319.db2.gz NIEGPBDJBNUTCV-OLUAHTEJSA-N 0 0 514.537 4.031 1 0 KIAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000137138765 562831356 /nfs/dbraw/zinc/83/13/56/562831356.db2.gz JFFBDCJEPWDUJE-AWCRTANDSA-N 0 0 589.689 4.434 1 0 KIAFRN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CS(=O)(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1 ZINC000137430921 562831489 /nfs/dbraw/zinc/83/14/89/562831489.db2.gz DVBJXHNYGBFVCK-IBGZPJMESA-N 0 0 515.632 4.231 1 0 KIAFRN Cc1cc(C)c(S(=O)(=O)N[C@H](C)CS(=O)(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c(C)c1 ZINC000137430995 562831478 /nfs/dbraw/zinc/83/14/78/562831478.db2.gz DVBJXHNYGBFVCK-LJQANCHMSA-N 0 0 515.632 4.231 1 0 KIAFRN CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@@]13OC2(C)C ZINC000137534201 562831462 /nfs/dbraw/zinc/83/14/62/562831462.db2.gz HXIFBYUPRQRXPW-NOJJXEDNSA-N 0 0 542.625 4.020 1 0 KIAFRN CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000137570417 562831527 /nfs/dbraw/zinc/83/15/27/562831527.db2.gz GBFIJKLUNHORPH-MTTSUKFNSA-N 0 0 508.740 4.457 1 0 KIAFRN Cc1ccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cn1 ZINC000137663712 562831526 /nfs/dbraw/zinc/83/15/26/562831526.db2.gz JJSAKJLNMPHIKK-JDXGNMNLSA-N 0 0 615.841 4.035 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1O[C@@H](C)CNC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137823746 562831544 /nfs/dbraw/zinc/83/15/44/562831544.db2.gz QEEAABFVJCOYPN-LBPRGKRZSA-N 0 0 502.344 4.303 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1O[C@H](C)CNC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137823843 562831558 /nfs/dbraw/zinc/83/15/58/562831558.db2.gz QEEAABFVJCOYPN-GFCCVEGCSA-N 0 0 502.344 4.303 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OC[C@H](C)NC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137823965 562831567 /nfs/dbraw/zinc/83/15/67/562831567.db2.gz AXWQPHKBZRUJSS-LBPRGKRZSA-N 0 0 502.344 4.303 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OC[C@@H](C)NC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137824070 562831547 /nfs/dbraw/zinc/83/15/47/562831547.db2.gz AXWQPHKBZRUJSS-GFCCVEGCSA-N 0 0 502.344 4.303 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1O[C@H]1CCN(C(C)=O)C1)ncnc2Nc1ccc(Br)cc1F ZINC000137831254 562831532 /nfs/dbraw/zinc/83/15/32/562831532.db2.gz ZUDNAVLBOYSKME-HNNXBMFYSA-N 0 0 514.355 4.399 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1O[C@@H]1CCN(C(C)=O)C1)ncnc2Nc1ccc(Br)cc1F ZINC000137831355 562831536 /nfs/dbraw/zinc/83/15/36/562831536.db2.gz ZUDNAVLBOYSKME-OAHLLOKOSA-N 0 0 514.355 4.399 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCC1CCN(C(=O)CS(C)(=O)=O)CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137856798 562831590 /nfs/dbraw/zinc/83/15/90/562831590.db2.gz QOLLSSWROWSEGI-UHFFFAOYSA-N 0 0 620.501 4.062 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCCNC(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137871108 562831592 /nfs/dbraw/zinc/83/15/92/562831592.db2.gz DTNINSLBWVYZJC-UHFFFAOYSA-N 0 0 502.344 4.305 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCCNC(=O)NCC)ncnc2Nc1ccc(Br)cc1F ZINC000137876949 562831612 /nfs/dbraw/zinc/83/16/12/562831612.db2.gz RWZGZLPZVJTIAS-UHFFFAOYSA-N 0 0 531.386 4.488 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C1CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137877522 562831624 /nfs/dbraw/zinc/83/16/24/562831624.db2.gz KDCWCHYNUNBAEU-UHFFFAOYSA-N 0 0 514.355 4.305 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C(F)F)ncnc2Nc1ccc(Br)cc1F ZINC000137877627 562831627 /nfs/dbraw/zinc/83/16/27/562831627.db2.gz BDGBUNQPUJHMAM-UHFFFAOYSA-N 0 0 524.297 4.160 1 0 KIAFRN C=CC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C ZINC000137883960 562831654 /nfs/dbraw/zinc/83/16/54/562831654.db2.gz YOHNLHXVSFTRLR-UHFFFAOYSA-N 0 0 500.328 4.081 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CC)ncnc2Nc1ccc(Br)cc1F ZINC000137884063 562831643 /nfs/dbraw/zinc/83/16/43/562831643.db2.gz CUKHNNMXTRUTGY-UHFFFAOYSA-N 0 0 502.344 4.305 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)NCCC)ncnc2Nc1ccc(Br)cc1F ZINC000137890940 562831649 /nfs/dbraw/zinc/83/16/49/562831649.db2.gz PFRACGZLZAHSRL-UHFFFAOYSA-N 0 0 531.386 4.488 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=S)NCC)ncnc2Nc1ccc(Br)cc1F ZINC000137891156 562831655 /nfs/dbraw/zinc/83/16/55/562831655.db2.gz BNKGZNXIORHJHK-UHFFFAOYSA-N 0 0 533.427 4.262 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)NC(C)C)ncnc2Nc1ccc(Br)cc1F ZINC000137897374 562831646 /nfs/dbraw/zinc/83/16/46/562831646.db2.gz ZRODGYIOYZYWNC-UHFFFAOYSA-N 0 0 531.386 4.486 1 0 KIAFRN C=CNC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C ZINC000137897674 562831640 /nfs/dbraw/zinc/83/16/40/562831640.db2.gz RLISPUUHADIREB-UHFFFAOYSA-N 0 0 515.343 4.221 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N1CCOCC1)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000137897900 562831639 /nfs/dbraw/zinc/83/16/39/562831639.db2.gz MTPCBGCWGDTUPD-UHFFFAOYSA-N 0 0 593.841 4.474 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCN(C)C(C)=O)ncnc2Nc1ccc(Br)cc1F ZINC000137897993 562831626 /nfs/dbraw/zinc/83/16/26/562831626.db2.gz HFPYKICVHQECPZ-UHFFFAOYSA-N 0 0 502.344 4.257 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CSC)ncnc2Nc1ccc(Br)cc1F ZINC000137904614 562831665 /nfs/dbraw/zinc/83/16/65/562831665.db2.gz RFLCMWQKNNQDPU-UHFFFAOYSA-N 0 0 534.411 4.258 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)/C=C/C)ncnc2Nc1ccc(Br)cc1F ZINC000137911118 562831670 /nfs/dbraw/zinc/83/16/70/562831670.db2.gz AYCVHMDIHRQBDR-HWKANZROSA-N 0 0 514.355 4.471 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)OC)ncnc2Nc1ccc(Br)cc1F ZINC000137926863 562831669 /nfs/dbraw/zinc/83/16/69/562831669.db2.gz GUFBSFFWXVLWCF-UHFFFAOYSA-N 0 0 504.316 4.134 1 0 KIAFRN CC(=O)O[C@H]1CC[C@@H](C)[C@@]23C[C@@H]([C@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)[C@]12COC(=O)c1cccnc1)C(C)(C)O3 ZINC000137950752 562831703 /nfs/dbraw/zinc/83/17/03/562831703.db2.gz BMTPGEBTCFMUIZ-JCQCRPEWSA-N 0 0 579.646 4.311 1 0 KIAFRN C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(O)cc1)N(Cc1ccc[n+]([O-])c1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000138111963 562831699 /nfs/dbraw/zinc/83/16/99/562831699.db2.gz GJYSTNPOXMTWIE-LJQANCHMSA-N 0 0 591.546 4.351 1 0 KIAFRN CCOC(=O)C1=C(CN2CCOCC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136448 562831746 /nfs/dbraw/zinc/83/17/46/562831746.db2.gz NFOAEQIAJROGKH-JOCHJYFZSA-N 0 0 511.903 4.137 1 0 KIAFRN CCOC(=O)C1=C(CN2CCOCC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136570 562831727 /nfs/dbraw/zinc/83/17/27/562831727.db2.gz NFOAEQIAJROGKH-QFIPXVFZSA-N 0 0 511.903 4.137 1 0 KIAFRN COc1cccc(NC(=O)N2CCc3cc(S(=O)(=O)N4CCN(c5cccc(Cl)c5)CC4)ccc32)c1 ZINC000138214791 562831793 /nfs/dbraw/zinc/83/17/93/562831793.db2.gz OVOJOKTURLDQFF-UHFFFAOYSA-N 0 0 527.046 4.454 1 0 KIAFRN COc1ccc(CC2CC[NH+](C)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccnc2)c1 ZINC000138220303 562831792 /nfs/dbraw/zinc/83/17/92/562831792.db2.gz ZOTRXYONRCJLCW-UHFFFAOYSA-N 0 0 518.643 4.462 1 0 KIAFRN COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+]Cc3cc(C(C)(C)C)ccc3F)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138282697 562831818 /nfs/dbraw/zinc/83/18/18/562831818.db2.gz PZJIORSTWTVMPM-UZRFBLNJSA-N 0 0 578.644 4.241 1 0 KIAFRN COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000138456492 562831848 /nfs/dbraw/zinc/83/18/48/562831848.db2.gz JQMJRYSPUROXJB-MOPGFXCFSA-N 0 0 588.562 4.398 1 0 KIAFRN COc1cc(O[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138475853 562831918 /nfs/dbraw/zinc/83/19/18/562831918.db2.gz XFMKVNOLFQRJQO-MEWQEBMRSA-N 0 0 588.539 4.092 1 0 KIAFRN COc1cc(O[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000138475944 562831948 /nfs/dbraw/zinc/83/19/48/562831948.db2.gz XFMKVNOLFQRJQO-PNEOSAPQSA-N 0 0 588.539 4.092 1 0 KIAFRN COc1ccc(CN2CC[NH+](C)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000138492124 562831909 /nfs/dbraw/zinc/83/19/09/562831909.db2.gz VAIACFIEFAXIRD-UHFFFAOYSA-N 0 0 536.633 4.069 1 0 KIAFRN CC1=CC(=O)N(N=c2nc(-c3cccs3)[nH]c3scc(-c4cccc(OCCN5CCOCC5)c4)c32)C1=O ZINC000138500385 562832012 /nfs/dbraw/zinc/83/20/12/562832012.db2.gz AZXHSEXCUIEDOF-UHFFFAOYSA-N 0 0 547.662 4.440 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CC[C@@H]4CCCC[C@@H]4C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138599800 562832066 /nfs/dbraw/zinc/83/20/66/562832066.db2.gz MQJJBRADMZIMMI-JAXLGGSGSA-N 0 0 503.647 4.434 1 0 KIAFRN CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC[C@H](O)c1cccc(Oc2ccccc2)c1 ZINC000138646181 562832074 /nfs/dbraw/zinc/83/20/74/562832074.db2.gz WKNXHKNTWIOTFP-AWCRTANDSA-N 0 0 589.689 4.434 1 0 KIAFRN CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000138722203 562832126 /nfs/dbraw/zinc/83/21/26/562832126.db2.gz XCUBPGSXTUDSLA-UHFFFAOYSA-N 0 0 530.588 4.441 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(c4ccncc4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138775453 562832205 /nfs/dbraw/zinc/83/22/05/562832205.db2.gz BHJLTYJJLINYEL-FQEVSTJZSA-N 0 0 526.641 4.197 1 0 KIAFRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4cc(C)ccc4C)C(=O)[C@H]3C1(C)[C@@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]12 ZINC000138937428 571452529 /nfs/dbraw/zinc/45/25/29/571452529.db2.gz BVGAOXJWEVFJMA-QUSKXDSLSA-N 0 0 554.643 4.361 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC[C@H](C(F)(F)F)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138969951 562832269 /nfs/dbraw/zinc/83/22/69/562832269.db2.gz ZBGNVEHAGQUNMJ-LPHOPBHVSA-N 0 0 517.552 4.197 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC(C(F)(F)F)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000139113838 562832323 /nfs/dbraw/zinc/83/23/23/562832323.db2.gz UWWFQQPVIZAUFH-INIZCTEOSA-N 0 0 517.552 4.197 1 0 KIAFRN COc1ccc(N(C(=O)OC(C)(C)C)[C@@H]2C(C)=C[C@H]([S@](=O)c3ccc(C)cc3)[C@@H]3C(=O)N(C)C(=O)[C@@H]32)cc1 ZINC000139312265 562832429 /nfs/dbraw/zinc/83/24/29/562832429.db2.gz IPZASLGZVITCBG-KJKZWSSPSA-N 0 0 538.666 4.481 1 0 KIAFRN O=C(N[C@H](CO)Cc1ccc(O)cc1)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1 ZINC000139366273 562832419 /nfs/dbraw/zinc/83/24/19/562832419.db2.gz GNXNSWHVPCRKDL-FQEVSTJZSA-N 0 0 508.534 4.020 1 0 KIAFRN COc1ccc(CC[NH2+]Cc2cc(-c3ccc4c(n3)nc(N3CCOC[C@@H]3C)nc4N3CCOC[C@@H]3C)ccc2OC)cc1 ZINC000139439795 562832488 /nfs/dbraw/zinc/83/24/88/562832488.db2.gz SRLBZIGHRKUAEX-ZEQRLZLVSA-N 0 0 598.748 4.492 1 0 KIAFRN CCCCC1(CCCC)CS(=O)(=O)c2cc(C[NH2+]CC(=O)[O-])c(OC)cc2[C@H](c2ccccc2)N1 ZINC000139496903 562832543 /nfs/dbraw/zinc/83/25/43/562832543.db2.gz KBZOLELTOAPIRR-SANMLTNESA-N 0 0 502.677 4.455 1 0 KIAFRN C[C@H]1COCCN1c1nc2nc(-c3cccc(C(=O)N(C)C(C)(C)C)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139496943 562832531 /nfs/dbraw/zinc/83/25/31/562832531.db2.gz XIVYHESFJUDZRD-PMACEKPBSA-N 0 0 518.662 4.013 1 0 KIAFRN CCCCC1(CCCC)CS(=O)(=O)c2cc(C[NH2+]CC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000139497037 562832528 /nfs/dbraw/zinc/83/25/28/562832528.db2.gz KBZOLELTOAPIRR-AREMUKBSSA-N 0 0 502.677 4.455 1 0 KIAFRN CCCO[C@@H]1C[C@H](O)C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O1 ZINC000139553879 562832595 /nfs/dbraw/zinc/83/25/95/562832595.db2.gz UCTBEFNFYMBJKW-IDRPRQNDSA-N 0 0 507.628 4.108 1 0 KIAFRN CCCO[C@H]1C[C@H](O)C[C@@H](/C=C/c2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)O1 ZINC000139554004 562832569 /nfs/dbraw/zinc/83/25/69/562832569.db2.gz UCTBEFNFYMBJKW-XVMBDLJSSA-N 0 0 507.628 4.108 1 0 KIAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(N5CCC(O)CC5)n4)ccn32)c1 ZINC000139559455 562832629 /nfs/dbraw/zinc/83/26/29/562832629.db2.gz BPVRIIIZPFMAFC-UHFFFAOYSA-N 0 0 511.508 4.103 1 0 KIAFRN CCN1c2ccc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139601750 562832634 /nfs/dbraw/zinc/83/26/34/562832634.db2.gz NCZOYGRZCPIPDS-UHFFFAOYSA-N 0 0 564.708 4.140 1 0 KIAFRN CC(=O)N1CCN(c2ccc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)cn2)CC1 ZINC000139607192 562832699 /nfs/dbraw/zinc/83/26/99/562832699.db2.gz MPFJYMLAUUROEX-UHFFFAOYSA-N 0 0 537.546 4.416 1 0 KIAFRN COc1ncc(Nc2ncc([C@@H](OC(=O)c3cccc(Cl)c3)C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F ZINC000139814148 562832801 /nfs/dbraw/zinc/83/28/01/562832801.db2.gz NZXIRKWJXSSTSF-HXUWFJFHSA-N 0 0 553.982 4.433 1 0 KIAFRN COc1ncc(Nc2ncc([C@H](OC(=O)c3cccc(Cl)c3)C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F ZINC000139814292 562832766 /nfs/dbraw/zinc/83/27/66/562832766.db2.gz NZXIRKWJXSSTSF-FQEVSTJZSA-N 0 0 553.982 4.433 1 0 KIAFRN C[N@@H+]1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4)n[nH]c3=O)cc2C1 ZINC000139938674 562832828 /nfs/dbraw/zinc/83/28/28/562832828.db2.gz JVLVRAOLALOEGX-UHFFFAOYSA-N 0 0 515.574 4.429 1 0 KIAFRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1cnc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000140323583 562833003 /nfs/dbraw/zinc/83/30/03/562833003.db2.gz MFYQDBLVRGWMBK-XMMPIXPASA-N 0 0 539.683 4.159 1 0 KIAFRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1cnc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000140323735 562833013 /nfs/dbraw/zinc/83/30/13/562833013.db2.gz MFYQDBLVRGWMBK-DEOSSOPVSA-N 0 0 539.683 4.159 1 0 KIAFRN COc1nc(OC)nc(Sc2ccccc2C(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)n1 ZINC000140344345 562833010 /nfs/dbraw/zinc/83/30/10/562833010.db2.gz XIPNGQVSXCUKRO-XMMPIXPASA-N 0 0 602.669 4.405 1 0 KIAFRN COc1nc(Nc2ccccc2C(=O)N[C@@H](C)C(=O)OCc2ccccc2)nc(N[C@@H](C)C(=O)OCc2ccccc2)n1 ZINC000140353535 562833035 /nfs/dbraw/zinc/83/30/35/562833035.db2.gz CXKQWOOSXNBHCO-SFTDATJTSA-N 0 0 584.633 4.029 1 0 KIAFRN COc1cnc(-n2cnc(C(C)(F)F)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c21 ZINC000140357462 562833008 /nfs/dbraw/zinc/83/30/08/562833008.db2.gz KPXRUZGARFIXBL-UHFFFAOYSA-N 0 0 543.534 4.094 1 0 KIAFRN COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CCN(C)CC5)nc34)c2)cc1C(F)(F)F ZINC000140565955 562833172 /nfs/dbraw/zinc/83/31/72/562833172.db2.gz QRIHBFHCELCXST-UHFFFAOYSA-N 0 0 567.576 4.086 1 0 KIAFRN Cn1nc(-c2ccc(F)cc2)cc1-c1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@]12CN(CC(F)(F)F)S(=O)(=O)N2 ZINC000140607471 562833261 /nfs/dbraw/zinc/83/32/61/562833261.db2.gz IYFJURORHSNANJ-BPYKYCOYSA-N 0 0 534.579 4.469 1 0 KIAFRN Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](F)[C@H]2F)c(=O)[nH]c1=O ZINC000140665743 562833205 /nfs/dbraw/zinc/83/32/05/562833205.db2.gz XDQXGKSNJJSNKN-DLGLWYJGSA-N 0 0 504.533 4.427 1 0 KIAFRN COc1cc(-c2nn([C@H]3CC[C@@H]([NH+]4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1 ZINC000140731883 562833284 /nfs/dbraw/zinc/83/32/84/562833284.db2.gz WGBGLPNMHGTLQS-SOAUALDESA-N 0 0 568.726 4.387 1 0 KIAFRN CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)O[C@@]3(COC(=O)C3)CC[C@]2(C)[C@H]2[C@H](OC(=O)c3ccccc3)CC=C(C)[C@]12C ZINC000140830006 562833335 /nfs/dbraw/zinc/83/33/35/562833335.db2.gz XYYMUFSAXSAILU-HQCFMCSESA-N 0 0 554.636 4.323 1 0 KIAFRN COc1ccc(-c2ccc(OCc3cc(C(=O)[N-]S(=O)(=O)c4ccc(C[NH3+])cc4)oc3C)cc2)cc1 ZINC000140934636 562833449 /nfs/dbraw/zinc/83/34/49/562833449.db2.gz WTZUWZZMIDYYRE-UHFFFAOYSA-N 0 0 506.580 4.420 1 0 KIAFRN CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000141075249 562833493 /nfs/dbraw/zinc/83/34/93/562833493.db2.gz IODLENIBQMAZBR-AJTFRIOCSA-N 0 0 509.549 4.179 1 0 KIAFRN CC(=O)NCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(N)=O)C(C)(C)C3)s2)c1 ZINC000141105266 562833482 /nfs/dbraw/zinc/83/34/82/562833482.db2.gz LBHIGLSBVNBPIB-IQGLISFBSA-N 0 0 562.618 4.498 1 0 KIAFRN CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3cccc(Cl)c3)CC4)cn2)CC1 ZINC000141178112 562833481 /nfs/dbraw/zinc/83/34/81/562833481.db2.gz LQLGULBEJISILZ-UHFFFAOYSA-N 0 0 503.010 4.420 1 0 KIAFRN CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(Cl)c3)CC4)cn2)CC1 ZINC000141183444 562833504 /nfs/dbraw/zinc/83/35/04/562833504.db2.gz ZTGAEXPVEHYBGJ-UHFFFAOYSA-N 0 0 517.037 4.343 1 0 KIAFRN COCCNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2Cl)CC3)c(OC)c1 ZINC000141191764 562833532 /nfs/dbraw/zinc/83/35/32/562833532.db2.gz QCUYKDJHLOTYER-UHFFFAOYSA-N 0 0 519.005 4.425 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)[C@H](C(=O)OC)C4)cc3OC)ncc2C(F)(F)F)c1 ZINC000141352402 562833548 /nfs/dbraw/zinc/83/35/48/562833548.db2.gz FJEBNLPKFAZSEO-QHCPKHFHSA-N 0 0 613.597 4.326 1 0 KIAFRN COC(=O)c1cc(/C(=C\CCc2nnn(C)n2)c2cc(C)c(OC)c(C(=O)SC)c2)cc(C)c1OC ZINC000141377553 562833595 /nfs/dbraw/zinc/83/35/95/562833595.db2.gz PVMUKOHTJHGTAB-DJKKODMXSA-N 0 0 510.616 4.198 1 0 KIAFRN CCn1cc([C@@]2(c3nnc(C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000141428610 562833597 /nfs/dbraw/zinc/83/35/97/562833597.db2.gz DYVYVBIDPGNHOV-AJTFRIOCSA-N 0 0 509.549 4.179 1 0 KIAFRN Cc1nc(NC[C@@H]2CCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000141865735 562833833 /nfs/dbraw/zinc/83/38/33/562833833.db2.gz XNIUMTIQEMEVCA-FQEVSTJZSA-N 0 0 514.655 4.484 1 0 KIAFRN Cc1nc(NC[C@H]2CCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000141865950 562833794 /nfs/dbraw/zinc/83/37/94/562833794.db2.gz XNIUMTIQEMEVCA-HXUWFJFHSA-N 0 0 514.655 4.484 1 0 KIAFRN COc1cccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3ccccn3)C2)c1 ZINC000141957339 562833838 /nfs/dbraw/zinc/83/38/38/562833838.db2.gz FTUGEGSOHJCEGT-LJAQVGFWSA-N 0 0 544.608 4.318 1 0 KIAFRN Cc1nnc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)o1 ZINC000142233794 562834070 /nfs/dbraw/zinc/83/40/70/562834070.db2.gz DLVZGEWWOWCZQG-FQEVSTJZSA-N 0 0 536.951 4.262 1 0 KIAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3ccnnc3)CC2)no1 ZINC000142248336 562834068 /nfs/dbraw/zinc/83/40/68/562834068.db2.gz FNFMOUAVCVSXID-QFIPXVFZSA-N 0 0 532.963 4.361 1 0 KIAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CC[C@@H]3NC(=O)C2(NC(=O)c3cncnc3)CC2)no1 ZINC000142262091 562834115 /nfs/dbraw/zinc/83/41/15/562834115.db2.gz PAUIXIOLYSEIEG-QFIPXVFZSA-N 0 0 532.963 4.361 1 0 KIAFRN COc1ncc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)cn1 ZINC000142262316 562834120 /nfs/dbraw/zinc/83/41/20/562834120.db2.gz WJLDXLVGJQBDFE-QFIPXVFZSA-N 0 0 562.989 4.369 1 0 KIAFRN COc1cc(C(=O)NC2(C(=O)N[C@@H]3COc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)on1 ZINC000142264068 562834088 /nfs/dbraw/zinc/83/40/88/562834088.db2.gz RQIRBNSHBCLESE-GOSISDBHSA-N 0 0 553.934 4.013 1 0 KIAFRN COc1cc(C(=O)NC2(C(=O)N[C@H]3COc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)on1 ZINC000142264286 562834113 /nfs/dbraw/zinc/83/41/13/562834113.db2.gz RQIRBNSHBCLESE-SFHVURJKSA-N 0 0 553.934 4.013 1 0 KIAFRN Cc1cc(C(=O)NC2(C(=O)N[C@H]3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)COC2)on1 ZINC000142264492 562834100 /nfs/dbraw/zinc/83/41/00/562834100.db2.gz IQUDIMJYXGNLDC-NRFANRHFSA-N 0 0 551.962 4.103 1 0 KIAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cc3c(c(F)c2)[C@H](NC(=O)C2(NC(=O)c4ccnnc4)CC2)CC3)no1 ZINC000142294744 562834157 /nfs/dbraw/zinc/83/41/57/562834157.db2.gz HPCDTQWLMQWOIN-OAQYLSRUSA-N 0 0 550.953 4.500 1 0 KIAFRN Cc1nc(-c2c(F)cc(Cl)cc2-c2cc3c(c(F)c2)[C@@H](NC(=O)C2(NC(=O)c4ccnnc4)CC2)CC3)no1 ZINC000142294940 562834150 /nfs/dbraw/zinc/83/41/50/562834150.db2.gz HPCDTQWLMQWOIN-NRFANRHFSA-N 0 0 550.953 4.500 1 0 KIAFRN CCc1ccc([C@@H]2O[C@H](COC(=O)O[C@@H](C)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2 ZINC000142320743 562834145 /nfs/dbraw/zinc/83/41/45/562834145.db2.gz IDKOTNDFUFWDNK-NDYSHVSKSA-N 0 0 564.631 4.048 1 0 KIAFRN CC(=O)Oc1ccc(-c2nnc(-c3cc(OC(C)=O)c(OC(C)=O)cc3I)s2)cc1OC(C)=O ZINC000142488267 562834225 /nfs/dbraw/zinc/83/42/25/562834225.db2.gz HSQFQHMAYHYAJX-UHFFFAOYSA-N 0 0 596.355 4.178 1 0 KIAFRN CC(=O)N(C)CCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000142519999 562834214 /nfs/dbraw/zinc/83/42/14/562834214.db2.gz ICHVLGIFFRGFDE-JTQLQIEISA-N 0 0 506.863 4.333 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(C)(=O)=O)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142564899 562834208 /nfs/dbraw/zinc/83/42/08/562834208.db2.gz RKMCSKPQRCIKAB-SIKLNZKXSA-N 0 0 515.459 4.309 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(C)(=O)=O)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142565113 562834273 /nfs/dbraw/zinc/83/42/73/562834273.db2.gz RKMCSKPQRCIKAB-UGKGYDQZSA-N 0 0 515.459 4.309 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(C)(=O)=O)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142565323 562834252 /nfs/dbraw/zinc/83/42/52/562834252.db2.gz RKMCSKPQRCIKAB-DENIHFKCSA-N 0 0 515.459 4.309 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(C)(=O)=O)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142565517 562834246 /nfs/dbraw/zinc/83/42/46/562834246.db2.gz RKMCSKPQRCIKAB-KNQAVFIVSA-N 0 0 515.459 4.309 1 0 KIAFRN CC(C)CC(=O)N(C)Cc1cccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)c1 ZINC000142804795 562834369 /nfs/dbraw/zinc/83/43/69/562834369.db2.gz YPMADZJPPOFSGF-VXKWHMMOSA-N 0 0 532.689 4.147 1 0 KIAFRN COc1cc(C(=O)N[C@@H]2CCN(C)C[C@@H]2F)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000142847145 562834354 /nfs/dbraw/zinc/83/43/54/562834354.db2.gz JQMJRYSPUROXJB-RBUKOAKNSA-N 0 0 588.562 4.398 1 0 KIAFRN O=C([C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N(Cc1ccco1)Cc1cccs1 ZINC000142900430 562834381 /nfs/dbraw/zinc/83/43/81/562834381.db2.gz VVGGETLFAOTUSD-SANMLTNESA-N 0 0 535.647 4.474 1 0 KIAFRN O=C([C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N(Cc1ccco1)Cc1cccs1 ZINC000142900607 562834385 /nfs/dbraw/zinc/83/43/85/562834385.db2.gz VVGGETLFAOTUSD-AREMUKBSSA-N 0 0 535.647 4.474 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(C)=O)ncnc2Nc1ccc(Br)cc1Cl ZINC000142917043 562834387 /nfs/dbraw/zinc/83/43/87/562834387.db2.gz YEPJSPZWMLQZDI-UHFFFAOYSA-N 0 0 504.772 4.429 1 0 KIAFRN Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000142927617 562834425 /nfs/dbraw/zinc/83/44/25/562834425.db2.gz ODYPDMJDOCOPAV-UHFFFAOYSA-N 0 0 501.518 4.412 1 0 KIAFRN CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4ccccc43)nc(I)c21 ZINC000142964957 562834450 /nfs/dbraw/zinc/83/44/50/562834450.db2.gz KQPYXXVLNFSPFT-UHFFFAOYSA-N 0 0 513.314 4.380 1 0 KIAFRN COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)C2=O ZINC000142985380 562834456 /nfs/dbraw/zinc/83/44/56/562834456.db2.gz PXFJDZAFLWYCTL-UHSQPCAPSA-N 0 0 584.574 4.297 1 0 KIAFRN O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2ncc([C@H](O)[C@H](O)CO)cc2Cl)CC1 ZINC000143004108 562834484 /nfs/dbraw/zinc/83/44/84/562834484.db2.gz QXHWLCRKQVRCGY-WBVHZDCISA-N 0 0 548.946 4.243 1 0 KIAFRN Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)[nH]1 ZINC000143016705 562834474 /nfs/dbraw/zinc/83/44/74/562834474.db2.gz YTMNEGGAZMYECL-UHFFFAOYSA-N 0 0 559.465 4.001 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCS(=O)(=O)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000143061098 562834531 /nfs/dbraw/zinc/83/45/31/562834531.db2.gz ZUMAVVJXTLHREC-UHFFFAOYSA-N 0 0 562.574 4.351 1 0 KIAFRN COc1cc(C(=O)NC2CN(C)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143096649 562834597 /nfs/dbraw/zinc/83/45/97/562834597.db2.gz GQIHVILNMLEEJX-UHFFFAOYSA-N 0 0 530.032 4.092 1 0 KIAFRN CC(=O)O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)C(C)=CCC[C@@H]2[C@@]2(C)[C@@H](OC(=O)c3cccnc3)C[C@@]3(COC(=O)C3)O[C@@]12C ZINC000143126893 562834638 /nfs/dbraw/zinc/83/46/38/562834638.db2.gz MCZQKBCMIDJMDT-ANYWXESPSA-N 0 0 618.683 4.407 1 0 KIAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(N5CCN(C)CC5)n4)o3)nc2s1 ZINC000143144590 562834682 /nfs/dbraw/zinc/83/46/82/562834682.db2.gz LASKSKRPEGVYCU-UHFFFAOYSA-N 0 0 512.617 4.009 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CC[C@H]4CCCC[C@@H]4C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000143153103 562834688 /nfs/dbraw/zinc/83/46/88/562834688.db2.gz MQJJBRADMZIMMI-TUNNFDKTSA-N 0 0 503.647 4.434 1 0 KIAFRN CC(=O)O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)C(C)=CC[C@@H](OC(=O)c3cccnc3)[C@@H]2[C@@]2(C)CC[C@]3(COC(=O)C3)O[C@@]12C ZINC000143169202 562834728 /nfs/dbraw/zinc/83/47/28/562834728.db2.gz HYHZABLEZGMFII-CCZGNDFLSA-N 0 0 618.683 4.407 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(C)=O)ncnc2Nc1cc(F)c(Br)cc1F ZINC000143189052 562834709 /nfs/dbraw/zinc/83/47/09/562834709.db2.gz UGPMTGRGGQYKIB-UHFFFAOYSA-N 0 0 506.307 4.054 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143193791 562834719 /nfs/dbraw/zinc/83/47/19/562834719.db2.gz IXIUBUSABBDIMN-XUZZJYLKSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143193993 562834717 /nfs/dbraw/zinc/83/47/17/562834717.db2.gz IXIUBUSABBDIMN-URXFXBBRSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143194197 562834714 /nfs/dbraw/zinc/83/47/14/562834714.db2.gz IXIUBUSABBDIMN-ZJSXRUAMSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143194406 562834698 /nfs/dbraw/zinc/83/46/98/562834698.db2.gz IXIUBUSABBDIMN-QPPBQGQZSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143194753 562834723 /nfs/dbraw/zinc/83/47/23/562834723.db2.gz VNWRXCKJWRNICA-WIOPSUGQSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143194939 562834735 /nfs/dbraw/zinc/83/47/35/562834735.db2.gz VNWRXCKJWRNICA-DHLKQENFSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195159 562834734 /nfs/dbraw/zinc/83/47/34/562834734.db2.gz VNWRXCKJWRNICA-RCZVLFRGSA-N 0 0 581.522 4.471 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195356 562834716 /nfs/dbraw/zinc/83/47/16/562834716.db2.gz VNWRXCKJWRNICA-RDGATRHJSA-N 0 0 581.522 4.471 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)COC)ncnc2Nc1cc(Cl)c(Cl)cc1F ZINC000143217992 562834736 /nfs/dbraw/zinc/83/47/36/562834736.db2.gz YSZALBLOXLXRCK-UHFFFAOYSA-N 0 0 508.337 4.085 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)COC)ncnc2Nc1ccc(Br)c(Cl)c1F ZINC000143236674 562834792 /nfs/dbraw/zinc/83/47/92/562834792.db2.gz URGDWDVOUMUUID-UHFFFAOYSA-N 0 0 552.788 4.194 1 0 KIAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4coc(N5C[C@H]6CC[C@@H](C5)O6)n4)o3)nc2s1 ZINC000143255283 562834860 /nfs/dbraw/zinc/83/48/60/562834860.db2.gz KBDFMVFWPWXXPE-GASCZTMLSA-N 0 0 509.544 4.156 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(C)=O)ncnc2Nc1c(F)cc(Br)cc1F ZINC000143296379 562834898 /nfs/dbraw/zinc/83/48/98/562834898.db2.gz PSPLRUCSARYWEJ-UHFFFAOYSA-N 0 0 506.307 4.054 1 0 KIAFRN CC(=O)N1Cc2cc(Nc3ncc4c(=O)n(-c5ccccc5Cl)c5nccn5c4n3)ccc2C2(CC2)C1 ZINC000143349688 562834950 /nfs/dbraw/zinc/83/49/50/562834950.db2.gz WJRROINZDMTREW-UHFFFAOYSA-N 0 0 511.973 4.219 1 0 KIAFRN CC(=O)c1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)ccc5c4=O)c3CO)cc2C(N)=O)cc1 ZINC000143432284 562835048 /nfs/dbraw/zinc/83/50/48/562835048.db2.gz BTLWKERFXRULON-UHFFFAOYSA-N 0 0 550.619 4.406 1 0 KIAFRN O=C(Nc1ccc2c(c1)NC(=O)[C@H](N1CCCOCC1)C2)N[C@@H]1CC(CF)(CF)Oc2cc(Cl)ccc21 ZINC000143522771 562835111 /nfs/dbraw/zinc/83/51/11/562835111.db2.gz CSEXWGLZEZDUBF-FGZHOGPDSA-N 0 0 534.991 4.249 1 0 KIAFRN O=C(Nc1ccc2c(c1)NC(=O)[C@@H](N1CCCOCC1)C2)N[C@@H]1CC(CF)(CF)Oc2cc(Cl)ccc21 ZINC000143522989 562835125 /nfs/dbraw/zinc/83/51/25/562835125.db2.gz CSEXWGLZEZDUBF-YADHBBJMSA-N 0 0 534.991 4.249 1 0 KIAFRN Cc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cc2C(N)=O)nc1 ZINC000143527964 562835108 /nfs/dbraw/zinc/83/51/08/562835108.db2.gz SHABIGCGANPNDY-UHFFFAOYSA-N 0 0 541.587 4.046 1 0 KIAFRN CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(Cl)cn5)n4)c3CO)c2=O)c1 ZINC000143557180 562835149 /nfs/dbraw/zinc/83/51/49/562835149.db2.gz YCPMMOJXBQFSNZ-UHFFFAOYSA-N 0 0 562.005 4.391 1 0 KIAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1)C(F)(F)F ZINC000143688747 562835234 /nfs/dbraw/zinc/83/52/34/562835234.db2.gz SIHRLCVYYZSUKN-CJNGLKHVSA-N 0 0 508.447 4.360 1 0 KIAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000143689178 562835259 /nfs/dbraw/zinc/83/52/59/562835259.db2.gz HPGURQWVWSAFDS-CJNGLKHVSA-N 0 0 508.447 4.360 1 0 KIAFRN CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCc3ncccn3)cc12 ZINC000143857543 562835324 /nfs/dbraw/zinc/83/53/24/562835324.db2.gz HDWCYHQOEZHAMG-BAEUJYSMSA-N 0 0 576.028 4.311 1 0 KIAFRN CC(C)(C[C@@](O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O ZINC000143858347 562835328 /nfs/dbraw/zinc/83/53/28/562835328.db2.gz VDSMZEJGVOMCGQ-DEOSSOPVSA-N 0 0 525.593 4.007 1 0 KIAFRN CC(C)(C[C@](O)(Cc1cc2cc(N3CCOCC3)ncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O ZINC000143858561 562835326 /nfs/dbraw/zinc/83/53/26/562835326.db2.gz VDSMZEJGVOMCGQ-XMMPIXPASA-N 0 0 525.593 4.007 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2F)c2ccccc21 ZINC000143875801 562835361 /nfs/dbraw/zinc/83/53/61/562835361.db2.gz LYFNMCKFXPWRHK-ZNOIYHFQSA-N 0 0 503.456 4.037 1 0 KIAFRN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C(N)=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)C2)cc1 ZINC000143898151 562835359 /nfs/dbraw/zinc/83/53/59/562835359.db2.gz HIYRPMYMGBHLMP-AREMUKBSSA-N 0 0 584.721 4.093 1 0 in-vitro KIAFRN CCCN(C)C(=O)c1cc(NC)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000143922212 562835387 /nfs/dbraw/zinc/83/53/87/562835387.db2.gz NIPBMFGYDVDWRN-AJQTZOPKSA-N 0 0 638.831 4.268 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21 ZINC000143930395 562835394 /nfs/dbraw/zinc/83/53/94/562835394.db2.gz ABCCEOMCSDAAKH-LQAWEQHXSA-N 0 0 505.428 4.239 1 0 KIAFRN CCCN(C)C(=O)c1cc(OC)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000143951483 562835464 /nfs/dbraw/zinc/83/54/64/562835464.db2.gz UXVGDRJUQQIKEZ-AJQTZOPKSA-N 0 0 639.815 4.235 1 0 KIAFRN O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C(F)(F)F)C3)ccc2O1 ZINC000144016831 562835665 /nfs/dbraw/zinc/83/56/65/562835665.db2.gz GNWZHNVIAXZTNB-SFHVURJKSA-N 0 0 526.441 4.346 1 0 KIAFRN O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)C[C@@H]3C(F)(F)F)ccc2O1 ZINC000144036097 562835676 /nfs/dbraw/zinc/83/56/76/562835676.db2.gz DZJAEMRRYRUTNJ-GOSISDBHSA-N 0 0 526.441 4.346 1 0 KIAFRN O=C1NCc2cc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@@H](C(F)(F)F)C3)ccc2O1 ZINC000144050805 562835738 /nfs/dbraw/zinc/83/57/38/562835738.db2.gz GNWZHNVIAXZTNB-GOSISDBHSA-N 0 0 526.441 4.346 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000144141048 562835818 /nfs/dbraw/zinc/83/58/18/562835818.db2.gz SHSKZEADGDUNPX-UHFFFAOYSA-N 0 0 591.616 4.197 1 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4.079 1 0 KIAFRN CCC[C@@](C)(CO)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1 ZINC000144212932 562835938 /nfs/dbraw/zinc/83/59/38/562835938.db2.gz NTEYPFNSXYTCNI-PMERELPUSA-N 0 0 543.672 4.329 1 0 KIAFRN CCC[C@](C)(CO)COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1 ZINC000144213135 562835934 /nfs/dbraw/zinc/83/59/34/562835934.db2.gz NTEYPFNSXYTCNI-SSEXGKCCSA-N 0 0 543.672 4.329 1 0 KIAFRN C[C@@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)ccc3[nH]2)CCN1C(=O)N1CCCC1 ZINC000144219660 562835941 /nfs/dbraw/zinc/83/59/41/562835941.db2.gz JUKXOHZWHWTJNC-LJQANCHMSA-N 0 0 510.602 4.126 1 0 KIAFRN C[C@H]1CN(C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)ccc3[nH]2)CCN1C(=O)N1CCCC1 ZINC000144219855 562835927 /nfs/dbraw/zinc/83/59/27/562835927.db2.gz JUKXOHZWHWTJNC-IBGZPJMESA-N 0 0 510.602 4.126 1 0 KIAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(C)(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000144235841 562835961 /nfs/dbraw/zinc/83/59/61/562835961.db2.gz KPTKGRKSVVHOJC-UHFFFAOYSA-N 0 0 507.545 4.185 1 0 KIAFRN O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000144236253 562835969 /nfs/dbraw/zinc/83/59/69/562835969.db2.gz GCPWUOPGNMTTMK-UHFFFAOYSA-N 0 0 510.602 4.127 1 0 KIAFRN O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2cc(C(F)(F)F)ccc21 ZINC000144249300 562835974 /nfs/dbraw/zinc/83/59/74/562835974.db2.gz PNDOVURWQMSLEK-GOSISDBHSA-N 0 0 514.451 4.368 1 0 KIAFRN CCc1nn2c(nc(C)cc2C)c1Cc1ccc(-n2cc(CC3(O)CCN(C(=O)OC(C)(C)C)CC3)nn2)cc1 ZINC000144272029 562836053 /nfs/dbraw/zinc/83/60/53/562836053.db2.gz KGPXWGKTJXKTPF-UHFFFAOYSA-N 0 0 545.688 4.385 1 0 KIAFRN Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@@H]4CCCN(C5COC5)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144290066 562836099 /nfs/dbraw/zinc/83/60/99/562836099.db2.gz LDVKGACWPSEWJI-LJQANCHMSA-N 0 0 532.624 4.129 1 0 KIAFRN Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@H]4CCCN(C5COC5)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144290276 562836102 /nfs/dbraw/zinc/83/61/02/562836102.db2.gz LDVKGACWPSEWJI-IBGZPJMESA-N 0 0 532.624 4.129 1 0 KIAFRN COCCN(C)[C@@H]1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000144292345 562836077 /nfs/dbraw/zinc/83/60/77/562836077.db2.gz SDABLNRBCHMFIH-NHCUHLMSSA-N 0 0 522.980 4.105 1 0 KIAFRN COCCN(C)[C@H]1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2NC1=O ZINC000144292566 562836112 /nfs/dbraw/zinc/83/61/12/562836112.db2.gz SDABLNRBCHMFIH-RTWAWAEBSA-N 0 0 522.980 4.105 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(=O)NCCCN3CCCC3=O)ccc2N2CCN(c3ccccc3C)CC2)o1 ZINC000144323954 562836120 /nfs/dbraw/zinc/83/61/20/562836120.db2.gz AWISNPKZSOEYRY-UHFFFAOYSA-N 0 0 543.668 4.218 1 0 KIAFRN Cc1ccoc1C(=O)Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1N1CCN(c2ccccc2C)CC1 ZINC000144325226 562836129 /nfs/dbraw/zinc/83/61/29/562836129.db2.gz CUNFSBHQGSXLTC-UHFFFAOYSA-N 0 0 543.668 4.218 1 0 KIAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2coc(C3CC3)n2)CC1 ZINC000144347048 562836158 /nfs/dbraw/zinc/83/61/58/562836158.db2.gz BUGHVZIQXBALLZ-UHFFFAOYSA-N 0 0 570.694 4.182 1 0 KIAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCc3cccc(C(N)=O)c3)cc2NC(=O)c2ccco2)CC1 ZINC000144376518 562836175 /nfs/dbraw/zinc/83/61/75/562836175.db2.gz AQRDOTOETYKPMB-UHFFFAOYSA-N 0 0 537.620 4.196 1 0 KIAFRN Cc1ccc(N2CCN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3NC(=O)c3coc(C4CC4)n3)CC2)cc1 ZINC000144388477 562836179 /nfs/dbraw/zinc/83/61/79/562836179.db2.gz OLZNJUJTHGUQJD-UHFFFAOYSA-N 0 0 570.694 4.182 1 0 KIAFRN Cc1cccc(N2CCN(c3ccc(C(=O)NCCCN4CCCC4=O)cc3NC(=O)c3coc(C4CC4)n3)CC2)c1 ZINC000144389118 562836176 /nfs/dbraw/zinc/83/61/76/562836176.db2.gz DVQSQIRHGOZEID-UHFFFAOYSA-N 0 0 570.694 4.182 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3OC(F)F)ncc2C(F)(F)F)c1 ZINC000144402902 562836228 /nfs/dbraw/zinc/83/62/28/562836228.db2.gz DYRCSDCGUVHPRS-UHFFFAOYSA-N 0 0 607.540 4.349 1 0 KIAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)N3CCC(N4CCCC4=O)CC3)cc2NC(=O)c2ccco2)CC1 ZINC000144424649 562836229 /nfs/dbraw/zinc/83/62/29/562836229.db2.gz LFLZZQBWEOKBNS-UHFFFAOYSA-N 0 0 555.679 4.394 1 0 KIAFRN Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2-c2csc(C(F)(F)F)n2)C3=O)cn1 ZINC000144466009 562836251 /nfs/dbraw/zinc/83/62/51/562836251.db2.gz AHERSACVYXVWEK-UHFFFAOYSA-N 0 0 515.517 4.020 1 0 KIAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H](O)C3)cc2NC(=O)c2coc(C3CC3)n2)CC1 ZINC000144491896 562836247 /nfs/dbraw/zinc/83/62/47/562836247.db2.gz ROUHJDSXZMCIMV-ZEQRLZLVSA-N 0 0 543.668 4.473 1 0 KIAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)ncc2C(F)(F)F)c1 ZINC000144516475 562836321 /nfs/dbraw/zinc/83/63/21/562836321.db2.gz SNFZHTGBYLFGLP-UHFFFAOYSA-N 0 0 592.600 4.246 1 0 KIAFRN Cn1cc(-c2cc(F)c(F)cc2F)c(C[NH+]2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)n1 ZINC000144531879 562836363 /nfs/dbraw/zinc/83/63/63/562836363.db2.gz BOHNIEGFMDHLHR-UHFFFAOYSA-N 0 0 500.477 4.194 1 0 KIAFRN CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CC(OC)C4)ccn3)c2s1 ZINC000144659210 562836589 /nfs/dbraw/zinc/83/65/89/562836589.db2.gz SBXMEQQDQVDQAD-UHFFFAOYSA-N 0 0 533.658 4.015 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1 ZINC000144774709 562836636 /nfs/dbraw/zinc/83/66/36/562836636.db2.gz YNECADZSNDKLQG-UHFFFAOYSA-N 0 0 522.009 4.419 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCC1 ZINC000144832903 562836653 /nfs/dbraw/zinc/83/66/53/562836653.db2.gz NSQVLKIYHPFZOJ-AMGIVPHBSA-N 0 0 556.642 4.076 1 0 KIAFRN O=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1O ZINC000144836341 562836655 /nfs/dbraw/zinc/83/66/55/562836655.db2.gz JUUHVEMSVLDARF-UHFFFAOYSA-N 0 0 511.922 4.374 1 0 KIAFRN Cn1cc(-c2cc(OCCNC(=O)CCC(=O)C(F)(F)F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144859092 562836663 /nfs/dbraw/zinc/83/66/63/562836663.db2.gz AMGIZABHBOFWPN-QHCPKHFHSA-N 0 0 541.448 4.272 1 0 KIAFRN Cn1cc(-c2cc(OCCNC(=O)CCC(=O)C(F)(F)F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144859289 562836674 /nfs/dbraw/zinc/83/66/74/562836674.db2.gz AMGIZABHBOFWPN-HSZRJFAPSA-N 0 0 541.448 4.272 1 0 KIAFRN COC(=O)[C@@H](c1c(F)cccc1F)N1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000144903000 562836691 /nfs/dbraw/zinc/83/66/91/562836691.db2.gz PCOQDXUNRRCSSS-IQGLISFBSA-N 0 0 505.525 4.012 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCCO1 ZINC000144918809 562836712 /nfs/dbraw/zinc/83/67/12/562836712.db2.gz MVBFWAZGGLSBGZ-LXFBAYGMSA-N 0 0 586.668 4.398 1 0 KIAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N(C)C)N(Cc5c(F)cccc5F)C4)cc32)ccn1 ZINC000144931204 562836716 /nfs/dbraw/zinc/83/67/16/562836716.db2.gz ZZMMBWRHTWGPGH-IBVKSMDESA-N 0 0 532.595 4.063 1 0 KIAFRN CCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CN1Cc1c(F)cccc1OC ZINC000144956679 562836702 /nfs/dbraw/zinc/83/67/02/562836702.db2.gz MQIYYCKVFOEZPR-AMGIVPHBSA-N 0 0 558.658 4.322 1 0 KIAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2Cl)c1 ZINC000144970066 562836753 /nfs/dbraw/zinc/83/67/53/562836753.db2.gz XDXTWQGIOKCMIE-UHFFFAOYSA-N 0 0 522.993 4.468 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NC(C)C ZINC000145004256 562836886 /nfs/dbraw/zinc/83/68/86/562836886.db2.gz SJHGXKSVURFNLZ-AMGIVPHBSA-N 0 0 558.658 4.369 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NC[C@H]1CC[C@H](O)C1 ZINC000145007092 562836877 /nfs/dbraw/zinc/83/68/77/562836877.db2.gz BBKLNBMKOCFOJO-LKYDWOEASA-N 0 0 614.722 4.121 1 0 KIAFRN CCN(CC)C(=O)[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1c(F)cccc1OC ZINC000145043956 562836871 /nfs/dbraw/zinc/83/68/71/562836871.db2.gz ITQKPESVYCHRSI-AMGIVPHBSA-N 0 0 558.658 4.404 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)CC[C@H]1C(=O)N(C)C ZINC000145093625 562836875 /nfs/dbraw/zinc/83/68/75/562836875.db2.gz QANCSQQHEZDJCB-DFHRPNOPSA-N 0 0 583.668 4.116 1 0 KIAFRN O=C(Nc1cc2c(cc1O[C@H]1CCOC1)ncnc2Nc1ccc(F)c(Cl)c1)/C(F)=C/CN1CCOCC1 ZINC000145217653 562836897 /nfs/dbraw/zinc/83/68/97/562836897.db2.gz 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CXEQFMIHPNTTGL-SANMLTNESA-N 0 0 516.577 4.218 1 0 KIAFRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2cccc(F)c2)cc1 ZINC000145281260 562836969 /nfs/dbraw/zinc/83/69/69/562836969.db2.gz CXEQFMIHPNTTGL-AREMUKBSSA-N 0 0 516.577 4.218 1 0 KIAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCc6ccccc6CO)ccn5)n4)ccc3[nH]2)CC1 ZINC000145294447 562836982 /nfs/dbraw/zinc/83/69/82/562836982.db2.gz AHVBNXGCJWRYCE-UHFFFAOYSA-N 0 0 549.635 4.222 1 0 KIAFRN C[C@@H](Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1)C(F)(F)F ZINC000145299965 562837010 /nfs/dbraw/zinc/83/70/10/562837010.db2.gz AWLRKPOCEDQMQH-MRXNPFEDSA-N 0 0 525.535 4.481 1 0 KIAFRN C[C@H](Oc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1)C(F)(F)F ZINC000145300186 562837003 /nfs/dbraw/zinc/83/70/03/562837003.db2.gz AWLRKPOCEDQMQH-INIZCTEOSA-N 0 0 525.535 4.481 1 0 KIAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H]6CC6(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145307667 562836977 /nfs/dbraw/zinc/83/69/77/562836977.db2.gz LQWWETJWRMXSFT-SFHVURJKSA-N 0 0 519.556 4.185 1 0 KIAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H]6CC6(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145307850 562836979 /nfs/dbraw/zinc/83/69/79/562836979.db2.gz LQWWETJWRMXSFT-GOSISDBHSA-N 0 0 519.556 4.185 1 0 KIAFRN CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC(F)(F)F)ccn5)n4)ccc3[nH]2)CC1 ZINC000145316599 562837026 /nfs/dbraw/zinc/83/70/26/562837026.db2.gz RVOWBKGMYKZUEJ-UHFFFAOYSA-N 0 0 511.508 4.092 1 0 KIAFRN CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000145371305 562836981 /nfs/dbraw/zinc/83/69/81/562836981.db2.gz NELCKKKMEKEMOI-UHFFFAOYSA-N 0 0 548.649 4.355 1 0 KIAFRN CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000145380641 562837065 /nfs/dbraw/zinc/83/70/65/562837065.db2.gz QRWSUSUONCKWOH-UHFFFAOYSA-N 0 0 533.638 4.393 1 0 KIAFRN CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)cc1 ZINC000145450222 562837080 /nfs/dbraw/zinc/83/70/80/562837080.db2.gz RQGOFVOEBXQQJA-UHFFFAOYSA-N 0 0 547.665 4.388 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145521883 562837288 /nfs/dbraw/zinc/83/72/88/562837288.db2.gz CJSBNILOOMHFTQ-CQSZACIVSA-N 0 0 518.989 4.291 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145522114 562837271 /nfs/dbraw/zinc/83/72/71/562837271.db2.gz CJSBNILOOMHFTQ-AWEZNQCLSA-N 0 0 518.989 4.291 1 0 KIAFRN CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc([C@@H](O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000145555718 562837355 /nfs/dbraw/zinc/83/73/55/562837355.db2.gz RPCCBNISNJFALM-XMMPIXPASA-N 0 0 562.676 4.257 1 0 KIAFRN CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc([C@H](O)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000145555914 562837364 /nfs/dbraw/zinc/83/73/64/562837364.db2.gz RPCCBNISNJFALM-DEOSSOPVSA-N 0 0 562.676 4.257 1 0 KIAFRN CCNc1cc(-c2nc(C(F)(F)F)nc3c2cccc3-n2cnc(-c3cnn(C)c3)c2)ccc1C(N)=O ZINC000145559428 562837370 /nfs/dbraw/zinc/83/73/70/562837370.db2.gz GMXQOMKLBNIAOO-UHFFFAOYSA-N 0 0 506.492 4.433 1 0 KIAFRN Cn1cc(-c2cn(-c3cccc4c3ccnc4-c3ccc(C(N)=O)c(NC4CCC(O)CC4)c3)cn2)cn1 ZINC000145559853 562837365 /nfs/dbraw/zinc/83/73/65/562837365.db2.gz SLPDOVRTRSBKIR-UHFFFAOYSA-N 0 0 507.598 4.302 1 0 KIAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3snc(NCCCN4CCOCC4)c3C(N)=O)cc2)c1 ZINC000145671557 562837448 /nfs/dbraw/zinc/83/74/48/562837448.db2.gz UCSCCPRUVOVKBL-UHFFFAOYSA-N 0 0 512.611 4.135 1 0 KIAFRN COCCCNC(=O)Nc1snc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c1C(N)=O ZINC000145693364 562837506 /nfs/dbraw/zinc/83/75/06/562837506.db2.gz BOEFMUGEOYSLBN-UHFFFAOYSA-N 0 0 500.556 4.159 1 0 KIAFRN NC(=O)c1c(NC(=O)NCCCN2CCOCC2)snc1-c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000145702299 562837534 /nfs/dbraw/zinc/83/75/34/562837534.db2.gz JJKVPTCDYLGUKC-UHFFFAOYSA-N 0 0 576.601 4.024 1 0 KIAFRN CN1C(=N)N[C@@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc(-c3ccnc(F)c3)cc12 ZINC000145702333 562837527 /nfs/dbraw/zinc/83/75/27/562837527.db2.gz OOXSJDJYRJXFDJ-SANMLTNESA-N 0 0 502.456 4.149 1 0 KIAFRN 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539.507 4.427 1 0 KIAFRN COCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Oc3cccc4c3C(=O)N(C)C4)n2)c(C)c1 ZINC000146068586 562838115 /nfs/dbraw/zinc/83/81/15/562838115.db2.gz MZOGQSDFBBXMSS-UHFFFAOYSA-N 0 0 515.492 4.302 1 0 KIAFRN C[C@@H](C(=O)NCc1ncc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146071350 562838125 /nfs/dbraw/zinc/83/81/25/562838125.db2.gz ANZHWVIXASKFRS-CQSZACIVSA-N 0 0 502.534 4.021 1 0 KIAFRN C[C@H](C(=O)NCc1ncc(C(F)(F)F)cc1N1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146071537 562838134 /nfs/dbraw/zinc/83/81/34/562838134.db2.gz ANZHWVIXASKFRS-AWEZNQCLSA-N 0 0 502.534 4.021 1 0 KIAFRN COCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Oc3cccc4c3C(=O)N(C)C4)n2)c(OC)c1 ZINC000146072202 562838142 /nfs/dbraw/zinc/83/81/42/562838142.db2.gz QFLZFDBQLDLPEQ-UHFFFAOYSA-N 0 0 531.491 4.002 1 0 KIAFRN COCCCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Oc3cccc4c3C(=O)N(C)C4)n2)c(OC)c1 ZINC000146072818 562838161 /nfs/dbraw/zinc/83/81/61/562838161.db2.gz LLCHVPCYNGGXOO-UHFFFAOYSA-N 0 0 545.518 4.392 1 0 KIAFRN COc1cc(N2CCN(C3COC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146083644 562838209 /nfs/dbraw/zinc/83/82/09/562838209.db2.gz DVTUVYWRKRWHRU-UHFFFAOYSA-N 0 0 570.572 4.146 1 0 KIAFRN CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)C2 ZINC000146149938 562838345 /nfs/dbraw/zinc/83/83/45/562838345.db2.gz IMRNHDKHIFRPST-UHFFFAOYSA-N 0 0 603.680 4.006 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccn1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146435795 562838556 /nfs/dbraw/zinc/83/85/56/562838556.db2.gz CMLPFRLVVCTBGY-CQSZACIVSA-N 0 0 542.967 4.274 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OCc1ccccn1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146435973 562838595 /nfs/dbraw/zinc/83/85/95/562838595.db2.gz CMLPFRLVVCTBGY-AWEZNQCLSA-N 0 0 542.967 4.274 1 0 KIAFRN COCC1C[C@H]2CC[C@@H](C1)N2c1nc(N2CC[C@H](C(N)=O)C2)nc2scc(-c3ccccc3OC)c21 ZINC000146510458 562838601 /nfs/dbraw/zinc/83/86/01/562838601.db2.gz ZWKAPACSPOCNQE-HRVKUGKESA-N 0 0 507.660 4.072 1 0 KIAFRN [NH3+]CCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000146669851 562838709 /nfs/dbraw/zinc/83/87/09/562838709.db2.gz MAADCGOFVALXMT-RRPNLBNLSA-N 0 0 522.690 4.155 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC[C@@H](C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146692391 562838784 /nfs/dbraw/zinc/83/87/84/562838784.db2.gz VROKCAQDHDZXMA-HUUCEWRRSA-N 0 0 516.561 4.267 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCCO2)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146694641 562838792 /nfs/dbraw/zinc/83/87/92/562838792.db2.gz OCKHIIBHALEUHI-CQSZACIVSA-N 0 0 553.534 4.469 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2c(c1)OCCO2)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146694807 562838804 /nfs/dbraw/zinc/83/88/04/562838804.db2.gz OCKHIIBHALEUHI-AWEZNQCLSA-N 0 0 553.534 4.469 1 0 KIAFRN CN1C(=N)N[C@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc(-c3ccnc(F)c3)cc12 ZINC000146705607 562838759 /nfs/dbraw/zinc/83/87/59/562838759.db2.gz OOXSJDJYRJXFDJ-AREMUKBSSA-N 0 0 502.456 4.149 1 0 KIAFRN C=C/C(C)=C\C[C@]1(C)[C@H](C)C[C@H](O)[C@@]23C(=C[C@@H](OC(=O)C(C)C)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000146747094 560044630 /nfs/dbraw/zinc/04/46/30/560044630.db2.gz PASSAFHUDJPXAL-RGJUMIETSA-N 0 0 504.620 4.225 1 0 biogenic,in-vitro KIAFRN O=C([C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1 ZINC000146899771 562838884 /nfs/dbraw/zinc/83/88/84/562838884.db2.gz FUPKFFJNRCYVCY-SANMLTNESA-N 0 0 533.631 4.431 1 0 KIAFRN O=C([C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1 ZINC000146899972 562838877 /nfs/dbraw/zinc/83/88/77/562838877.db2.gz FUPKFFJNRCYVCY-AREMUKBSSA-N 0 0 533.631 4.431 1 0 KIAFRN Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c4c[nH]nc4ccc3C)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1 ZINC000146952806 562838913 /nfs/dbraw/zinc/83/89/13/562838913.db2.gz IYEXZGQRDBGCOC-JOCHJYFZSA-N 0 0 552.727 4.319 1 0 KIAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000147083761 562839126 /nfs/dbraw/zinc/83/91/26/562839126.db2.gz YJIZUGAMEZXSLT-UNWRIRMBSA-N 0 0 614.791 4.008 1 0 KIAFRN COc1cc2ncnc(Nc3ccc(C(=O)Nc4cc(F)ccc4N)cc3)c2cc1OCCCN1CCOCC1 ZINC000147263812 562839219 /nfs/dbraw/zinc/83/92/19/562839219.db2.gz ITNCJCMRYNXPRL-UHFFFAOYSA-N 0 0 546.603 4.457 1 0 KIAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCC[C@@H](O)C5)nn4)ccn32)c1 ZINC000147345692 562839271 /nfs/dbraw/zinc/83/92/71/562839271.db2.gz UFAUAMOQXHAVJE-LJQANCHMSA-N 0 0 511.508 4.103 1 0 KIAFRN O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(N5CCC[C@H](O)C5)nn4)ccn32)c1 ZINC000147345912 562839295 /nfs/dbraw/zinc/83/92/95/562839295.db2.gz UFAUAMOQXHAVJE-IBGZPJMESA-N 0 0 511.508 4.103 1 0 KIAFRN O=S(=O)([N-]c1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC000147420288 562839329 /nfs/dbraw/zinc/83/93/29/562839329.db2.gz RAXMESLBZRICRQ-UHFFFAOYSA-N 0 0 521.590 4.316 1 0 KIAFRN C[NH+]1CCN(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2[n-]cc(F)s2)C3)CC1 ZINC000147614544 562839491 /nfs/dbraw/zinc/83/94/91/562839491.db2.gz JMHSSFSYBUYYML-UHFFFAOYSA-N 0 0 555.623 4.435 1 0 KIAFRN COc1ccccc1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc(O)c(NC(C)=O)c4)c3c2)C1 ZINC000147762345 562839563 /nfs/dbraw/zinc/83/95/63/562839563.db2.gz BUIJYSQIDBDARM-JOCHJYFZSA-N 0 0 513.598 4.297 1 0 KIAFRN COc1cccc(F)c1CN1CC[C@@H](F)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147762835 562839551 /nfs/dbraw/zinc/83/95/51/562839551.db2.gz HYLDAIHQKZZJEN-ISKFKSNPSA-N 0 0 516.552 4.368 1 0 KIAFRN COc1cccc(F)c1CN1CC[C@H](F)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147763033 562839569 /nfs/dbraw/zinc/83/95/69/562839569.db2.gz HYLDAIHQKZZJEN-LADGPHEKSA-N 0 0 516.552 4.368 1 0 KIAFRN COc1cccc(F)c1CN1CC[C@@H]2C[C@]2(NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 ZINC000147768331 562839591 /nfs/dbraw/zinc/83/95/91/562839591.db2.gz QVYUJVZTGFRVBK-OLILMLBXSA-N 0 0 510.573 4.420 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](OC)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C1 ZINC000147783463 562839667 /nfs/dbraw/zinc/83/96/67/562839667.db2.gz JPKQTWJJCQOXCU-LEWJYISDSA-N 0 0 503.578 4.100 1 0 KIAFRN COc1cccc(F)c1CN1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[C@H](OC)C1 ZINC000147783689 562839687 /nfs/dbraw/zinc/83/96/87/562839687.db2.gz JPKQTWJJCQOXCU-SFTDATJTSA-N 0 0 503.578 4.100 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[C@@H](OC)C1 ZINC000147783890 562839623 /nfs/dbraw/zinc/83/96/23/562839623.db2.gz JPKQTWJJCQOXCU-NHCUHLMSSA-N 0 0 503.578 4.100 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)C[C@H](OC)C1 ZINC000147784096 562839631 /nfs/dbraw/zinc/83/96/31/562839631.db2.gz JPKQTWJJCQOXCU-RTWAWAEBSA-N 0 0 503.578 4.100 1 0 KIAFRN CCc1nnc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H]5CCCN(Cc6c(F)cccc6OC)C5)cc43)cn21 ZINC000147786285 562839670 /nfs/dbraw/zinc/83/96/70/562839670.db2.gz HZMHRMHCCFRYBN-HXUWFJFHSA-N 0 0 527.604 4.377 1 0 KIAFRN NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCc3ccccc3)ccc12 ZINC000147797450 562839612 /nfs/dbraw/zinc/83/96/12/562839612.db2.gz RSNUAWGVWVLFOL-IBVKSMDESA-N 0 0 581.019 4.367 1 0 KIAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc(N)c(OC(C)=O)c4)c3c2)C1 ZINC000147809285 562839657 /nfs/dbraw/zinc/83/96/57/562839657.db2.gz XBYUORLZJAIMPB-HXUWFJFHSA-N 0 0 531.588 4.280 1 0 KIAFRN CC(=O)Nc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccccc5F)C4)cc32)ccc1O ZINC000147810013 562839642 /nfs/dbraw/zinc/83/96/42/562839642.db2.gz MERUZMAMYRIGMP-OAQYLSRUSA-N 0 0 501.562 4.427 1 0 KIAFRN Cc1nc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@H](Cc6c(F)cccc6F)CN(C)C5)cc43)cn2n1 ZINC000147811210 562839679 /nfs/dbraw/zinc/83/96/79/562839679.db2.gz GWBPKQAQKLPXFW-YLJYHZDGSA-N 0 0 515.568 4.152 1 0 KIAFRN CN1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ccnc5c4)c3c2)C1 ZINC000147813066 562839762 /nfs/dbraw/zinc/83/97/62/562839762.db2.gz XENBJVLHVHCFBN-XLIONFOSSA-N 0 0 500.553 4.449 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CC[C@H]1C(=O)N1CCCC1 ZINC000147817642 562839725 /nfs/dbraw/zinc/83/97/25/562839725.db2.gz KHHMZHKTUNHACU-AMGIVPHBSA-N 0 0 556.642 4.158 1 0 KIAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc(O)c(NC(C)=O)c4)c3c2)C1 ZINC000147819859 562839713 /nfs/dbraw/zinc/83/97/13/562839713.db2.gz YHCWYYRKWKJVAD-HXUWFJFHSA-N 0 0 531.588 4.436 1 0 KIAFRN Cc1nc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H]5C[C@@H](Cc6c(F)cccc6F)CN(C)C5)cc43)cn2n1 ZINC000147820269 562839726 /nfs/dbraw/zinc/83/97/26/562839726.db2.gz GWBPKQAQKLPXFW-FXAWDEMLSA-N 0 0 515.568 4.152 1 0 KIAFRN COc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)nn5c4)c3c2)C1 ZINC000147821678 562839767 /nfs/dbraw/zinc/83/97/67/562839767.db2.gz ADSFVUQFYQSXHD-HXUWFJFHSA-N 0 0 513.577 4.123 1 0 KIAFRN COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)n1 ZINC000147890613 562839770 /nfs/dbraw/zinc/83/97/70/562839770.db2.gz SZFFWAXBYGGKCK-NRFANRHFSA-N 0 0 515.471 4.065 1 0 KIAFRN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000147993947 562839826 /nfs/dbraw/zinc/83/98/26/562839826.db2.gz XTTBOIBOYMHBTJ-XMCHAPAWSA-N 0 0 521.898 4.485 1 0 KIAFRN CCN(CC)c1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148006693 562839836 /nfs/dbraw/zinc/83/98/36/562839836.db2.gz BQEUCZIXAUXKTA-ZHRRBRCNSA-N 0 0 547.006 4.468 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21 ZINC000148017002 562839856 /nfs/dbraw/zinc/83/98/56/562839856.db2.gz WVQLWTIRBNXQMX-BZNIZROVSA-N 0 0 511.407 4.189 1 0 KIAFRN [NH3+][C@@H](Cc1cc(Br)c(Oc2ccc(O)c(I)c2)c(Br)c1)C(=O)[O-] ZINC000148018407 562839827 /nfs/dbraw/zinc/83/98/27/562839827.db2.gz MWIKBVDIOXFCQL-LBPRGKRZSA-N 0 0 556.976 4.269 1 0 KIAFRN [NH3+][C@H](Cc1cc(Br)c(Oc2ccc(O)c(I)c2)c(Br)c1)C(=O)[O-] ZINC000148018576 562839845 /nfs/dbraw/zinc/83/98/45/562839845.db2.gz MWIKBVDIOXFCQL-GFCCVEGCSA-N 0 0 556.976 4.269 1 0 KIAFRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12 ZINC000148027295 562839878 /nfs/dbraw/zinc/83/98/78/562839878.db2.gz NFLAJDRJQSCTQP-UHFFFAOYSA-N 0 0 537.550 4.077 1 0 KIAFRN CN1CCN(c2nc(N)c3ncnc(Nc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4Cl)c3n2)CC1 ZINC000148034921 562839875 /nfs/dbraw/zinc/83/98/75/562839875.db2.gz DRLORXJONLSGNZ-UHFFFAOYSA-N 0 0 557.968 4.422 1 0 KIAFRN COc1cc(NC(=O)c2ccc(C)c(Nc3ncnc4c(N)nc(N5CCN(C)CC5)nc34)c2)cc(C(F)(F)F)c1 ZINC000148046134 562839966 /nfs/dbraw/zinc/83/99/66/562839966.db2.gz QQIJAOMJDJDHEM-UHFFFAOYSA-N 0 0 567.576 4.086 1 0 KIAFRN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3c(N)nc(N4CCN(C)CC4)nc23)c1 ZINC000148046359 562839956 /nfs/dbraw/zinc/83/99/56/562839956.db2.gz ZOLGDKKCTNJFTA-UHFFFAOYSA-N 0 0 555.687 4.364 1 0 KIAFRN Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2c(N)nc(N3CCN(C)CC3)nc12 ZINC000148053087 562840005 /nfs/dbraw/zinc/84/00/05/562840005.db2.gz HJIGYVAIFDLTJH-UHFFFAOYSA-N 0 0 525.661 4.356 1 0 KIAFRN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148069634 562840071 /nfs/dbraw/zinc/84/00/71/562840071.db2.gz MMYXSUFZRAHHLL-UHFFFAOYSA-N 0 0 568.560 4.204 1 0 KIAFRN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148071023 562840133 /nfs/dbraw/zinc/84/01/33/562840133.db2.gz OPDNVXDXJCSBTR-UHFFFAOYSA-N 0 0 555.517 4.288 1 0 KIAFRN COc1ccc(C(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(NCCN3CCOCC3)nc21 ZINC000148071752 562840138 /nfs/dbraw/zinc/84/01/38/562840138.db2.gz IHCWJUUVDWEMHT-UHFFFAOYSA-N 0 0 598.586 4.196 1 0 KIAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CCN(C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148073738 562840144 /nfs/dbraw/zinc/84/01/44/562840144.db2.gz RQLQKFMALVRPFP-UHFFFAOYSA-N 0 0 556.524 4.334 1 0 KIAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(N5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148074426 562840146 /nfs/dbraw/zinc/84/01/46/562840146.db2.gz IUNVEEFQARUJCM-UHFFFAOYSA-N 0 0 543.481 4.419 1 0 KIAFRN COc1ccc(NC(=O)c2ccc(F)c(Nc3ncnc4cnc(NCCN5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148075386 562840104 /nfs/dbraw/zinc/84/01/04/562840104.db2.gz ZMQQEEAHEBSGJS-UHFFFAOYSA-N 0 0 586.550 4.326 1 0 KIAFRN CN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4C(F)(F)F)c3n2)CC1 ZINC000148081910 562840181 /nfs/dbraw/zinc/84/01/81/562840181.db2.gz MDSCNYFOBKZPMI-UHFFFAOYSA-N 0 0 555.565 4.472 1 0 KIAFRN CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCCN5CCOCC5)nc43)c2)no1 ZINC000148083360 562840159 /nfs/dbraw/zinc/84/01/59/562840159.db2.gz NPCWKTKPMHVSQM-UHFFFAOYSA-N 0 0 585.591 4.464 1 0 KIAFRN COCCN(C)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3Cl)c2n1 ZINC000148083602 562840154 /nfs/dbraw/zinc/84/01/54/562840154.db2.gz IPAAZLYISAUCOP-UHFFFAOYSA-N 0 0 510.986 4.437 1 0 KIAFRN COc1ccc(C[C@@H](CO)NC(=O)c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1 ZINC000148084267 562840187 /nfs/dbraw/zinc/84/01/87/562840187.db2.gz PHPHGUFLUSPVHG-NRFANRHFSA-N 0 0 522.561 4.323 1 0 KIAFRN CN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)on5)ccc4Cl)c3n2)CC1 ZINC000148085270 562840147 /nfs/dbraw/zinc/84/01/47/562840147.db2.gz HNKBUVXPCGOGHC-UHFFFAOYSA-N 0 0 522.013 4.106 1 0 KIAFRN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CCOCC5)nc43)c2)no1 ZINC000148086594 562840162 /nfs/dbraw/zinc/84/01/62/562840162.db2.gz SGKIOPXAUGWFMS-UHFFFAOYSA-N 0 0 508.970 4.191 1 0 KIAFRN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCCCN5CCOCC5)nc43)c2)no1 ZINC000148087262 562840225 /nfs/dbraw/zinc/84/02/25/562840225.db2.gz UZESIXDDGZBIFE-UHFFFAOYSA-N 0 0 566.066 4.489 1 0 KIAFRN CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCCN5CCOCC5)nc43)c2)no1 ZINC000148087676 562840211 /nfs/dbraw/zinc/84/02/11/562840211.db2.gz WNUWDWTWECFEBF-UHFFFAOYSA-N 0 0 552.039 4.099 1 0 KIAFRN COC(=O)Nc1cccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c1 ZINC000148132487 562840245 /nfs/dbraw/zinc/84/02/45/562840245.db2.gz DRCOAWZMCNGLHV-UBWSOHEKSA-N 0 0 557.998 4.272 1 0 KIAFRN CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCc3ncccn3)cc12 ZINC000148139434 562840322 /nfs/dbraw/zinc/84/03/22/562840322.db2.gz LHCNWRYORYHIJK-CLOONOSVSA-N 0 0 582.007 4.261 1 0 KIAFRN COC(=O)c1ccc2c(C(C)=O)cn(CC(=O)N3C[C@](C)(F)C[C@H]3C(=O)NCc3cccc(Cl)c3F)c2c1 ZINC000148149007 562840294 /nfs/dbraw/zinc/84/02/94/562840294.db2.gz MUEWKSVKRPLCLD-WXVAWEFUSA-N 0 0 545.970 4.069 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N(C)CC[NH+](C)C)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000148190685 562840479 /nfs/dbraw/zinc/84/04/79/562840479.db2.gz APRLZYSRWACYES-UHFFFAOYSA-N 0 0 635.795 4.400 1 0 KIAFRN Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148201397 562840533 /nfs/dbraw/zinc/84/05/33/562840533.db2.gz ZTFIIATUOJVARF-UHFFFAOYSA-N 0 0 524.673 4.451 1 0 KIAFRN Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148201877 562840506 /nfs/dbraw/zinc/84/05/06/562840506.db2.gz NEOHBEINHCUURL-UHFFFAOYSA-N 0 0 536.562 4.172 1 0 KIAFRN Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CCCC3)nc21 ZINC000148222638 562840606 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/nfs/dbraw/zinc/84/06/25/562840625.db2.gz SXMBPHBAVMFBCX-KRWDZBQOSA-N 0 0 511.407 4.347 1 0 KIAFRN Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148237080 562840637 /nfs/dbraw/zinc/84/06/37/562840637.db2.gz LEXLTEQZMKAAIL-UHFFFAOYSA-N 0 0 538.534 4.375 1 0 KIAFRN Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148239292 562840690 /nfs/dbraw/zinc/84/06/90/562840690.db2.gz PGMOWJLUQUGEGQ-UHFFFAOYSA-N 0 0 523.519 4.257 1 0 KIAFRN Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000148239910 562840688 /nfs/dbraw/zinc/84/06/88/562840688.db2.gz XHUVCISKSSPTSF-UHFFFAOYSA-N 0 0 524.673 4.451 1 0 KIAFRN CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Br)c2F)c2ccccc12 ZINC000148240187 562840674 /nfs/dbraw/zinc/84/06/74/562840674.db2.gz DBMSQFJUMVHGGH-IERDGZPVSA-N 0 0 518.358 4.001 1 0 KIAFRN COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCOCC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000148244204 562840685 /nfs/dbraw/zinc/84/06/85/562840685.db2.gz AUSFHMBPANTVHE-UHFFFAOYSA-N 0 0 620.736 4.238 1 0 KIAFRN Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148244460 562840673 /nfs/dbraw/zinc/84/06/73/562840673.db2.gz RRPNLKRTEIEBHJ-UHFFFAOYSA-N 0 0 523.519 4.257 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N[C@@H]3CCOC3)nc21 ZINC000148258238 562840763 /nfs/dbraw/zinc/84/07/63/562840763.db2.gz SRNAIQFWZVZPFO-MRXNPFEDSA-N 0 0 510.480 4.339 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1Nc1ncnc2cnc(N[C@H]3CCOC3)nc21 ZINC000148258428 562840757 /nfs/dbraw/zinc/84/07/57/562840757.db2.gz SRNAIQFWZVZPFO-INIZCTEOSA-N 0 0 510.480 4.339 1 0 KIAFRN O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)N1C[C@H](F)C[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000148259595 562840759 /nfs/dbraw/zinc/84/07/59/562840759.db2.gz MJWRXZAJFIPFNZ-KUHUBIRLSA-N 0 0 527.877 4.434 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NC[C@@H]3CCOC3)nc21 ZINC000148260659 562840750 /nfs/dbraw/zinc/84/07/50/562840750.db2.gz UINUHIYBYSJZBP-INIZCTEOSA-N 0 0 502.579 4.458 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(NC[C@H]3CCOC3)nc21 ZINC000148260880 562840782 /nfs/dbraw/zinc/84/07/82/562840782.db2.gz UINUHIYBYSJZBP-MRXNPFEDSA-N 0 0 502.579 4.458 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)C[C@@H]3CCOC3)nc21 ZINC000148261624 562840779 /nfs/dbraw/zinc/84/07/79/562840779.db2.gz CVNNREQENWGESC-KRWDZBQOSA-N 0 0 516.606 4.482 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)C[C@H]3CCOC3)nc21 ZINC000148261840 562840752 /nfs/dbraw/zinc/84/07/52/562840752.db2.gz CVNNREQENWGESC-QGZVFWFLSA-N 0 0 516.606 4.482 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)[C@@H]3CCOC3)nc21 ZINC000148264355 562840778 /nfs/dbraw/zinc/84/07/78/562840778.db2.gz CZSHJNSESCMIRV-QGZVFWFLSA-N 0 0 502.579 4.235 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N(C)[C@H]3CCOC3)nc21 ZINC000148264574 562840754 /nfs/dbraw/zinc/84/07/54/562840754.db2.gz CZSHJNSESCMIRV-KRWDZBQOSA-N 0 0 502.579 4.235 1 0 KIAFRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCCOCC3)nc21 ZINC000148265976 562840772 /nfs/dbraw/zinc/84/07/72/562840772.db2.gz XXMMPVOZAOQTSB-UHFFFAOYSA-N 0 0 502.579 4.236 1 0 KIAFRN COCCN1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5ccc(OC)c(C(F)(F)F)c5)ccc4F)c3n2)CC1 ZINC000148279137 562840829 /nfs/dbraw/zinc/84/08/29/562840829.db2.gz RGLGWVHSOICQAJ-UHFFFAOYSA-N 0 0 600.577 4.351 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000148280910 562840866 /nfs/dbraw/zinc/84/08/66/562840866.db2.gz ZOAZZQYTBGREGD-UGSOOPFHSA-N 0 0 525.890 4.462 1 0 KIAFRN Cc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCOCC3)nc21 ZINC000148283736 562840849 /nfs/dbraw/zinc/84/08/49/562840849.db2.gz FBMZJKURBXEFPB-UHFFFAOYSA-N 0 0 525.491 4.459 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2C[C@@H](C(F)F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000148297235 562840910 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ZINC000148927490 562841975 /nfs/dbraw/zinc/84/19/75/562841975.db2.gz IDKOTNDFUFWDNK-MMGUYCSDSA-N 0 0 564.631 4.048 1 0 KIAFRN CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149121277 562842130 /nfs/dbraw/zinc/84/21/30/562842130.db2.gz FWUOVNKWKBCTHG-ZRZAMGCNSA-N 0 0 570.616 4.441 1 0 KIAFRN CC(C)c1nc2ccc(C(F)(F)F)cc2c(NCC(=O)NC2CN(C3CCC(O)(c4cncs4)CC3)C2)n1 ZINC000149144133 562842229 /nfs/dbraw/zinc/84/22/29/562842229.db2.gz FRIUIPFFUUXNHO-UHFFFAOYSA-N 0 0 548.635 4.271 1 0 KIAFRN Cc1n[nH]c2ccc(C)c(-c3nc4c(c(N5C[C@@H](O)[C@@H]5C)n3)CN(c3c(Cl)c(C5CC5)nn3C)CC4)c12 ZINC000149151379 562842296 /nfs/dbraw/zinc/84/22/96/562842296.db2.gz RKQYWJQLCJNPKM-MGPUTAFESA-N 0 0 519.053 4.033 1 0 KIAFRN Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)c1 ZINC000149200581 562842465 /nfs/dbraw/zinc/84/24/65/562842465.db2.gz SRBWKSSZPUTPHM-PMERELPUSA-N 0 0 540.104 4.158 1 0 KIAFRN Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCCC(=O)N2CCOCC2)Cc2ccc(Cl)cc2)c1 ZINC000149200705 562842461 /nfs/dbraw/zinc/84/24/61/562842461.db2.gz SRBWKSSZPUTPHM-SSEXGKCCSA-N 0 0 540.104 4.158 1 0 KIAFRN O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc21)NC1CN([C@H]2CC[C@](O)(c3cncs3)CC2)C1 ZINC000149218579 562842493 /nfs/dbraw/zinc/84/24/93/562842493.db2.gz VSEDSFRLQXFULM-VVONHTQRSA-N 0 0 574.551 4.167 1 0 KIAFRN COCCNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccccc1Cl ZINC000149300083 562842570 /nfs/dbraw/zinc/84/25/70/562842570.db2.gz CRXDMRYJOBRNBS-UHFFFAOYSA-N 0 0 587.077 4.210 1 0 KIAFRN CCNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccc(F)cc1C ZINC000149327364 562842583 /nfs/dbraw/zinc/84/25/83/562842583.db2.gz KNNSYKGPBQCOCI-UHFFFAOYSA-N 0 0 554.623 4.378 1 0 KIAFRN CCNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccccc3)CC1)c2Nc1ccc(F)cc1C ZINC000149332985 562842594 /nfs/dbraw/zinc/84/25/94/562842594.db2.gz XHYLSDKLGQTASM-UHFFFAOYSA-N 0 0 536.633 4.238 1 0 KIAFRN Cc1ccccc1CNC(=O)[C@@H]1N(C(=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)CSC1(C)C ZINC000149429032 562842639 /nfs/dbraw/zinc/84/26/39/562842639.db2.gz JXBKSJFOHYUWPQ-DLTIGGJNSA-N 0 0 603.785 4.076 1 0 KIAFRN CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)Cc1csc2ccccc12 ZINC000149553272 562842693 /nfs/dbraw/zinc/84/26/93/562842693.db2.gz DMUXQODQMSAVEP-AREMUKBSSA-N 0 0 548.130 4.056 1 0 KIAFRN CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)Cc1csc2ccccc12 ZINC000149553475 562842708 /nfs/dbraw/zinc/84/27/08/562842708.db2.gz DMUXQODQMSAVEP-SANMLTNESA-N 0 0 548.130 4.056 1 0 KIAFRN Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(=O)N6CCCC(F)(F)C6)ccc5[nH]4)c3N)ccc2[nH]1 ZINC000150032227 562842874 /nfs/dbraw/zinc/84/28/74/562842874.db2.gz XPJZNFSHCZZAQF-UHFFFAOYSA-N 0 0 503.513 4.223 1 0 KIAFRN COc1ccc(C2(F)CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(N5CCC5)nc4)c3)CC2)nc1 ZINC000150039532 562842858 /nfs/dbraw/zinc/84/28/58/562842858.db2.gz RFHLQRSOEPQTNL-UHFFFAOYSA-N 0 0 503.578 4.357 1 0 KIAFRN Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(-c6ccc(N7CCOCC7)nc6)cc5[nH]4)c3N)ccc2[nH]1 ZINC000150163991 562842887 /nfs/dbraw/zinc/84/28/87/562842887.db2.gz RCYHCFDDBFAHNT-UHFFFAOYSA-N 0 0 518.581 4.250 1 0 KIAFRN COc1cc(C(C)C)c(Oc2cnc(N)nc2NC(=O)c2cccn2C)cc1I ZINC000150244648 562843041 /nfs/dbraw/zinc/84/30/41/562843041.db2.gz UNRZSJMNHZPONB-UHFFFAOYSA-N 0 0 507.332 4.179 1 0 KIAFRN COc1ncc(F)cc1-c1c2nc(Nc3cc(C4CCOCC4)nn3C(C)C)ncc2sc1C(N)=O ZINC000150323092 562843067 /nfs/dbraw/zinc/84/30/67/562843067.db2.gz CCSIQADKGCYMNS-UHFFFAOYSA-N 0 0 511.583 4.415 1 0 KIAFRN CN(C)S(=O)(=O)NCC1CCN(c2ccc(-c3ccn4c(c3)ncc4-c3cccc(NC(=O)NCC(F)(F)F)c3)cn2)CC1 ZINC000150336825 562843095 /nfs/dbraw/zinc/84/30/95/562843095.db2.gz ZFGCJOPEEZQSLP-UHFFFAOYSA-N 0 0 630.697 4.360 1 0 KIAFRN CC[C@H](C)C(=O)N[C@H]1CCCN1C(=O)[C@@H]1[C@@H](c2ccccc2)COc2cc3c(c(OC)c2[C@@]1(O)[C@H](O)c1ccc(OC)cc1)OCO3 ZINC000150354325 565203288 /nfs/dbraw/zinc/20/32/88/565203288.db2.gz RLNUQULXSQBDNV-ZYIJIALRSA-N 0 0 646.737 4.257 1 0 biogenic,in-vitro KIAFRN COC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc3c(c(OC)c2C(=O)[C@H](C(=O)N2CCC[C@H]2NC(=O)C(C)C)[C@@H]1c1ccccc1)OCO3 ZINC000150358119 565203640 /nfs/dbraw/zinc/20/36/40/565203640.db2.gz MVYWULHEWFKICS-NVHOHECASA-N 0 0 658.704 4.197 1 0 biogenic,in-vitro KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cccc(I)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150499001 562843455 /nfs/dbraw/zinc/84/34/55/562843455.db2.gz MVRIOSZJGXWVLJ-QNMIOERPSA-N 0 0 643.430 4.452 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccccc3I)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000150499013 562843453 /nfs/dbraw/zinc/84/34/53/562843453.db2.gz YKEABKMMVKQLOD-YSQWDHOWSA-N 0 0 643.430 4.452 1 0 KIAFRN CO[C@@H]1[C@H]([C@H](CC(N)=O)NC(=O)[C@H](C(C)C)N(CCc2ccc(Br)cc2)C(=O)Nc2ccc(Cl)cc2)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000150522828 562843566 /nfs/dbraw/zinc/84/35/66/562843566.db2.gz CWXFPNLOUMAWNX-OJTRLUNJSA-N 0 0 696.039 4.455 1 0 KIAFRN O=C(C[C@H]1NC(=O)NC1=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524000 562843659 /nfs/dbraw/zinc/84/36/59/562843659.db2.gz IVMFHRPDIPCCAI-NYFMKLKXSA-N 0 0 761.680 4.058 1 0 KIAFRN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524003 562843686 /nfs/dbraw/zinc/84/36/86/562843686.db2.gz IVMFHRPDIPCCAI-UBOZLPQGSA-N 0 0 761.680 4.058 1 0 KIAFRN O=C(C[C@H]1NC(=O)NC1=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524007 562843666 /nfs/dbraw/zinc/84/36/66/562843666.db2.gz IVMFHRPDIPCCAI-UTONBFNKSA-N 0 0 761.680 4.058 1 0 KIAFRN O=C(C[C@@H]1NC(=O)NC1=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524010 562843683 /nfs/dbraw/zinc/84/36/83/562843683.db2.gz IVMFHRPDIPCCAI-OOOSNSGVSA-N 0 0 761.680 4.058 1 0 KIAFRN COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](CC(C)C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc32)[C@@H](O)[C@@]1(C)O ZINC000150532210 562843815 /nfs/dbraw/zinc/84/38/15/562843815.db2.gz JQYLYXZSHUCGRW-KPNDXXMNSA-N 0 0 700.730 4.377 1 0 KIAFRN C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc3c2ncnc3-c2ccoc2)[C@H](O)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150533859 562843872 /nfs/dbraw/zinc/84/38/72/562843872.db2.gz DXEBHLVEBUEKLX-GBQIMBQWSA-N 0 0 634.582 4.236 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C\NCc1ccc3ccccc3n1)C(=O)N2 ZINC000150537138 562843990 /nfs/dbraw/zinc/84/39/90/562843990.db2.gz RUIHVKGPZRKTBU-MLVWYZLMSA-N 0 0 755.894 4.424 1 0 KIAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(CC(=O)N5CCC(Oc6no[n+]([O-])c6S(=O)(=O)c6ccccc6)CC5)CC4)cc3OC)ncc2Cl)c1 ZINC000150539765 562844140 /nfs/dbraw/zinc/84/41/40/562844140.db2.gz UYDDASUEYNUOFR-UHFFFAOYSA-N 0 0 846.323 4.445 1 0 KIAFRN C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(CC(=O)OCCOCCOc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)CC4)cc3OC)ncc2Cl)c1 ZINC000150539775 562844138 /nfs/dbraw/zinc/84/41/38/562844138.db2.gz HHQCBJOVBHTNID-UHFFFAOYSA-N 0 0 851.295 4.014 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)C(=CNc1ccccc1)C(=O)N2 ZINC000150541928 562844227 /nfs/dbraw/zinc/84/42/27/562844227.db2.gz QKZOZALYJOWABS-CVKZFCLCSA-N 0 0 690.819 4.198 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C/NCC1CCCCC1)C(=O)N2 ZINC000150542138 562844252 /nfs/dbraw/zinc/84/42/52/562844252.db2.gz UTTPESCKDBYBHE-YGRMMDTGSA-N 0 0 710.894 4.256 1 0 KIAFRN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)/C(=C/NCCC(C)(C)C)C(=O)N2 ZINC000150542141 562844251 /nfs/dbraw/zinc/84/42/51/562844251.db2.gz GHRMRNURVFPATJ-JGFYMPDLSA-N 0 0 698.883 4.112 1 0 KIAFRN COC(=O)C1C(=O)[C@@H](C(=O)OC)[C@]2(O)[C@@H](C(=O)OC)[C@H]1C[C@H](c1ccc(OC(=O)C(=Cc3ccccc3)c3ccccc3)cc1)[C@@H]2C(=O)OC ZINC000150542190 562844249 /nfs/dbraw/zinc/84/42/49/562844249.db2.gz LQNQXFAWBLSLLP-UULBKBGHSA-N 0 0 684.694 4.034 1 0 KIAFRN COC(=O)C1C(=O)[C@H](C(=O)OC)[C@]2(O)[C@@H](C(=O)OC)[C@H]1C[C@H](c1ccc(OC(=O)C(=Cc3ccccc3)c3ccccc3)cc1)[C@@H]2C(=O)OC ZINC000150542193 562844250 /nfs/dbraw/zinc/84/42/50/562844250.db2.gz LQNQXFAWBLSLLP-KSVNSALSSA-N 0 0 684.694 4.034 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@H](CCSC)NC(=O)OC3CC(C)(C)N(O)C(C)(C)C3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000150542887 562844258 /nfs/dbraw/zinc/84/42/58/562844258.db2.gz HKZWDMLXMASSPU-LUMKLEGXSA-N 0 0 728.841 4.445 1 0 KIAFRN O=C(CN1CCN(CCOCCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000150544100 562844318 /nfs/dbraw/zinc/84/43/18/562844318.db2.gz YVPWDHRDUFALKL-UHFFFAOYSA-N 0 0 642.778 4.230 1 0 KIAFRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNCN1)C(=O)NC[C@H]1CO[C@](Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 ZINC000150544219 562844332 /nfs/dbraw/zinc/84/43/32/562844332.db2.gz IQSQWGGEMFHEKI-FKFBTUQASA-N 0 0 850.805 4.049 1 0 KIAFRN CC(C)OC(=O)CCc1ccccc1O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)OC[C@@H]1OC[C@H](n2cnc3c2ncnc3NC2CC2)O1 ZINC000150544264 562844330 /nfs/dbraw/zinc/84/43/30/562844330.db2.gz PFYJZIWWJXLQBH-UGPQWZHVSA-N 0 0 660.665 4.290 1 0 KIAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@]13OC(C)(C)[C@H](C[C@@H]2OC(=O)c1ccccc1)[C@H]3OC(=O)c1ccccc1 ZINC000150547773 562844515 /nfs/dbraw/zinc/84/45/15/562844515.db2.gz JPMHFBHLUIAEQK-HDWLWNEUSA-N 0 0 636.694 4.458 1 0 KIAFRN CNC(=C[N+](=O)[O-])NCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3ccc(C=Cc4cnc5ccccc5c4)cc3)cn2C)cn1C ZINC000150549089 562844521 /nfs/dbraw/zinc/84/45/21/562844521.db2.gz CKOIUZFJVGDCCE-KUVIQLJZSA-N 0 0 661.723 4.201 1 0 KIAFRN COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H]([NH3+])C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150564990 562844956 /nfs/dbraw/zinc/84/49/56/562844956.db2.gz SWJCDXQPDMDWGO-RYUROBMXSA-N 0 0 762.955 4.232 1 0 KIAFRN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H](Cc1ccccc1)C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000150566419 562845010 /nfs/dbraw/zinc/84/50/10/562845010.db2.gz NNOFYWJFSHHUJW-SUNYVRQVSA-N 0 0 618.774 4.394 1 0 KIAFRN CC(C)[C@H](C(=O)N[C@H]1C(=O)Cc2ccccc21)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)COc1cccc2ccccc21)[C@@H](C)O ZINC000150575276 562845274 /nfs/dbraw/zinc/84/52/74/562845274.db2.gz RYULPDBFZUIZAW-CSPSPLQSSA-N 0 0 701.861 4.303 1 0 KIAFRN C/C=C(/C)C(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]3(OC2(C)C)[C@](OC(C)=O)([C@@H]1OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)CC[C@]3(C)O ZINC000150576512 562845329 /nfs/dbraw/zinc/84/53/29/562845329.db2.gz RMIDTFWERXUJBF-DPYYALNYSA-N 0 0 678.731 4.271 1 0 KIAFRN 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0 KIAFRN Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000166180277 562850401 /nfs/dbraw/zinc/85/04/01/562850401.db2.gz TXFXDQZLMXKLSM-UHFFFAOYSA-N 0 0 558.590 4.043 1 0 KIAFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCN(C)CC3)nc21 ZINC000166184090 562850388 /nfs/dbraw/zinc/85/03/88/562850388.db2.gz WFACFYNTGIQBPG-UHFFFAOYSA-N 0 0 522.535 4.495 1 0 KIAFRN CC(=O)Oc1cccc(CN2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000166292047 562850373 /nfs/dbraw/zinc/85/03/73/562850373.db2.gz XQXOIFJVCCPPFC-SANMLTNESA-N 0 0 531.049 4.312 1 0 KIAFRN CC(=O)Oc1cccc(CN2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000166292161 562850413 /nfs/dbraw/zinc/85/04/13/562850413.db2.gz XQXOIFJVCCPPFC-AREMUKBSSA-N 0 0 531.049 4.312 1 0 KIAFRN O=C(NCc1cnco1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167285857 562850741 /nfs/dbraw/zinc/85/07/41/562850741.db2.gz SGYUYTMWRNCIFM-LJQANCHMSA-N 0 0 511.416 4.415 1 0 KIAFRN COC(=O)c1ccc2c(c1)-c1c[nH]c(n1)[C@@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)C/C=C/CCC(=O)N2 ZINC000167295605 562850705 /nfs/dbraw/zinc/85/07/05/562850705.db2.gz HOXQSSGSIXMEDA-ZFXDGNIOSA-N 0 0 573.013 4.042 1 0 KIAFRN Cc1nnc(CNC(=O)[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)o1 ZINC000167444981 562850876 /nfs/dbraw/zinc/85/08/76/562850876.db2.gz DSVUBNIUZPSVHV-IBGZPJMESA-N 0 0 526.431 4.119 1 0 KIAFRN Cc1nnc(CNC(=O)[C@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)o1 ZINC000167445097 562850872 /nfs/dbraw/zinc/85/08/72/562850872.db2.gz DSVUBNIUZPSVHV-LJQANCHMSA-N 0 0 526.431 4.119 1 0 KIAFRN O=C(NCc1ccccn1)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167557552 562850965 /nfs/dbraw/zinc/85/09/65/562850965.db2.gz WNFCVARTPPMPMH-OAQYLSRUSA-N 0 0 520.471 4.353 1 0 KIAFRN COCCn1ccc2nc(C(=O)Nc3ccc(F)c([C@]4(C)CO[C@@](C)(C(F)(F)F)C(N)=N4)n3)c(Cl)cc21 ZINC000167685897 562851089 /nfs/dbraw/zinc/85/10/89/562851089.db2.gz LUTGKRKBQRZCOA-FCHUYYIVSA-N 0 0 542.921 4.046 1 0 KIAFRN C[C@@]1(c2cccc(NC(=O)c3ncc(Br)cc3Cl)n2)CO[C@@](C)(C(F)(F)F)C(N)=N1 ZINC000167687276 562851087 /nfs/dbraw/zinc/85/10/87/562851087.db2.gz VANDNQQVYPKEOC-DLBZAZTESA-N 0 0 506.710 4.068 1 0 KIAFRN CCn1cc(Nc2nc(-c3cccc(N4CCc5c6c(sc5C4=O)CC(C)(C)C6)c3CO)cn(C)c2=O)cn1 ZINC000167721574 562851068 /nfs/dbraw/zinc/85/10/68/562851068.db2.gz XETSBHLHMUUDTR-UHFFFAOYSA-N 0 0 544.681 4.289 1 0 KIAFRN C[C@@]1(c2cc(NC(=O)c3ncc(OC(F)F)cc3Cl)ncc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1 ZINC000167730907 562851079 /nfs/dbraw/zinc/85/10/79/562851079.db2.gz QONFJNGJOVKPCS-ZWKOTPCHSA-N 0 0 511.810 4.046 1 0 KIAFRN O=C(NC[C@@H]1CCCC[C@H]1O)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167853001 562851109 /nfs/dbraw/zinc/85/11/09/562851109.db2.gz YUHTZSORWFXFTL-VLCRHTCISA-N 0 0 541.530 4.309 1 0 KIAFRN Cc1sc(-c2ccncc2)nc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000167957003 562851110 /nfs/dbraw/zinc/85/11/10/562851110.db2.gz PMBFIOYAOLROGC-UHFFFAOYSA-N 0 0 504.641 4.140 1 0 KIAFRN Cc1nc(-c2ccncc2)sc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000167959173 562851116 /nfs/dbraw/zinc/85/11/16/562851116.db2.gz WGOJTNYSUAYEIP-UHFFFAOYSA-N 0 0 504.641 4.140 1 0 KIAFRN O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1)c1csc(-c2cccnc2)n1 ZINC000167966856 562851163 /nfs/dbraw/zinc/85/11/63/562851163.db2.gz SVAQNYXFGPPYCL-NRFANRHFSA-N 0 0 560.705 4.033 1 0 KIAFRN Cc1cc(-c2ncc(C(=O)NCc3cccc(C(=O)Nc4nc5c(s4)CN(C)CC5)c3)s2)ccn1 ZINC000167968073 562851150 /nfs/dbraw/zinc/85/11/50/562851150.db2.gz YHCZHQJPMPRPBP-UHFFFAOYSA-N 0 0 504.641 4.140 1 0 KIAFRN O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1)c1ccc(-c2cnco2)cc1 ZINC000167968429 562851196 /nfs/dbraw/zinc/85/11/96/562851196.db2.gz HJFVYDJAEFHGGT-QHCPKHFHSA-N 0 0 543.649 4.170 1 0 KIAFRN O=C(NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1)c1csc(-c2ccncc2)n1 ZINC000167968914 562851198 /nfs/dbraw/zinc/85/11/98/562851198.db2.gz KTHVACKZADKQIJ-NRFANRHFSA-N 0 0 560.705 4.033 1 0 KIAFRN Cc1nc(-c2ccncc2)sc1C(=O)NCc1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1 ZINC000167970336 562851144 /nfs/dbraw/zinc/85/11/44/562851144.db2.gz HHQRKZASUPOCDG-QFIPXVFZSA-N 0 0 574.732 4.342 1 0 KIAFRN CN(CCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1)C(=O)OC(C)(C)C ZINC000168357441 562851306 /nfs/dbraw/zinc/85/13/06/562851306.db2.gz USNNWMLHFFQTQY-IYWMVGAKSA-N 0 0 518.452 4.199 1 0 KIAFRN O=C(NCCCCN1CCC(F)(F)C1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168393234 562851336 /nfs/dbraw/zinc/85/13/36/562851336.db2.gz GBOMBKASUYNHDX-PLACYPQZSA-N 0 0 522.434 4.453 1 0 KIAFRN CCOC(=O)N=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1C ZINC000168409015 562851357 /nfs/dbraw/zinc/85/13/57/562851357.db2.gz QRFLQPASPZXMRX-WAJSEHEASA-N 0 0 514.446 4.476 1 0 KIAFRN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168452030 562851402 /nfs/dbraw/zinc/85/14/02/562851402.db2.gz NKIMFQGVEAXWOG-VXNCWWDNSA-N 0 0 503.828 4.341 1 0 KIAFRN CC(C)(C)OC(=O)CCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168455848 562851435 /nfs/dbraw/zinc/85/14/35/562851435.db2.gz KTLPLRIWQVKVKD-KOUHRCEDSA-N 0 0 503.437 4.454 1 0 KIAFRN CC(C)(C)OC(=O)NCCCCNC(=O)[C@@H]1[C@H]2CC[C@@H]([C@H]1C(=O)Nc1ncc(Br)s1)C21CC1 ZINC000168508140 562851463 /nfs/dbraw/zinc/85/14/63/562851463.db2.gz PWBPZKJDLCQWHR-YALNPMBYSA-N 0 0 541.512 4.318 1 0 KIAFRN CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168531296 562851458 /nfs/dbraw/zinc/85/14/58/562851458.db2.gz PHNIZRRXPZSKNO-IYWMVGAKSA-N 0 0 518.452 4.247 1 0 KIAFRN COC(=O)N[C@H](C(=O)NC[C@@H](F)CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000168554687 562851466 /nfs/dbraw/zinc/85/14/66/562851466.db2.gz YNXOEZSAZJHUSW-HYPZGNBFSA-N 0 0 656.821 4.458 1 0 KIAFRN COC(=O)N[C@H](C(=O)NC[C@H](F)CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000168554790 562851483 /nfs/dbraw/zinc/85/14/83/562851483.db2.gz YNXOEZSAZJHUSW-IGKQJQGVSA-N 0 0 656.821 4.458 1 0 KIAFRN COC(=O)N[C@H](C(=O)NCCC(F)(F)C[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000168561681 562851515 /nfs/dbraw/zinc/85/15/15/562851515.db2.gz RSVBPOCMMDQKNX-WNJJXGMVSA-N 0 0 646.757 4.117 1 0 KIAFRN O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ncc(Br)s1)C21CC1 ZINC000168563997 562851491 /nfs/dbraw/zinc/85/14/91/562851491.db2.gz JDEITZSZOREJHC-RYMBOPBQSA-N 0 0 526.460 4.298 1 0 KIAFRN O=C(NC[C@H](c1ccccc1)N1CCOCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168564313 562851492 /nfs/dbraw/zinc/85/14/92/562851492.db2.gz MNUMGQYFYORVLC-JQSCXEDISA-N 0 0 550.497 4.406 1 0 KIAFRN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168564416 562851496 /nfs/dbraw/zinc/85/14/96/562851496.db2.gz MNUMGQYFYORVLC-RSFKBIFASA-N 0 0 550.497 4.406 1 0 KIAFRN CCOC(=O)N=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 ZINC000168682076 562851521 /nfs/dbraw/zinc/85/15/21/562851521.db2.gz DLNVXQGIVOPKFV-FCJAZMSBSA-N 0 0 500.419 4.167 1 0 KIAFRN COc1ccc(CNc2nc(N3CCC[C@@H](CO)C3)nc3c(NCc4ccc(OC)cc4)nc(N4CCC[C@@H](CO)C4)nc23)cc1 ZINC000169290705 562851787 /nfs/dbraw/zinc/85/17/87/562851787.db2.gz MTAATZBHNFULHU-CLJLJLNGSA-N 0 0 628.778 4.079 1 0 KIAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O ZINC000169290790 562851785 /nfs/dbraw/zinc/85/17/85/562851785.db2.gz HGEAPJQFWJZLFY-AGSXMJPOSA-N 0 0 807.949 4.390 1 0 KIAFRN CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000169291150 562851879 /nfs/dbraw/zinc/85/18/79/562851879.db2.gz HIEJAGUHJSVFNF-LYVYPOQBSA-N 0 0 709.737 4.137 1 0 KIAFRN COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000169293223 571553080 /nfs/dbraw/zinc/55/30/80/571553080.db2.gz GQWZTKXVILGAJN-KPAVLPNYSA-N 0 0 513.377 4.438 1 0 KIAFRN COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000169293224 571553087 /nfs/dbraw/zinc/55/30/87/571553087.db2.gz GQWZTKXVILGAJN-QGZXROIXSA-N 0 0 513.377 4.438 1 0 KIAFRN CC(C)C[C@@H]1C(=O)N(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CN1Cc1ccccc1 ZINC000169293476 562852116 /nfs/dbraw/zinc/85/21/16/562852116.db2.gz NHIXMNVJGXLWKW-WUFINQPMSA-N 0 0 528.653 4.272 1 0 KIAFRN CC(C)C[C@H]1C(=O)N(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CN1Cc1ccccc1 ZINC000169293477 562852094 /nfs/dbraw/zinc/85/20/94/562852094.db2.gz NHIXMNVJGXLWKW-NSOVKSMOSA-N 0 0 528.653 4.272 1 0 KIAFRN COc1ccc([C@@H]2[C@H]3CCC[C@@H]([C@@H](c4ccc(OC)cc4)N2C(C)=O)C32SC(NC(C)=O)=NN2C(C)=O)cc1 ZINC000169296018 562852421 /nfs/dbraw/zinc/85/24/21/562852421.db2.gz VDJZQLKVYSERED-SBNAKLSLSA-N 0 0 550.681 4.463 1 0 KIAFRN COc1ccc([C@@H]2CN(C)[C@@]3(c4ccccc4NC3=O)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000169297580 562852523 /nfs/dbraw/zinc/85/25/23/562852523.db2.gz VVHJGKZGVWBDEY-MYFQQKMJSA-N 0 0 514.578 4.023 1 0 KIAFRN C/C=C(\C)C(=O)O[C@@H]1[C@@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@@H]4c3ccoc3)[C@@](C)(C2=O)[C@@H]([C@@H](O)C(=O)OC)C1(C)C ZINC000169297701 562852549 /nfs/dbraw/zinc/85/25/49/562852549.db2.gz MMUSWMCGLGFCKL-JLLQQHOUSA-N 0 0 568.663 4.500 1 0 KIAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CS2 ZINC000169297787 562852591 /nfs/dbraw/zinc/85/25/91/562852591.db2.gz VRZSCSACDDIWHJ-POZJEALZSA-N 0 0 592.839 4.255 1 0 KIAFRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CS2 ZINC000169297794 562852603 /nfs/dbraw/zinc/85/26/03/562852603.db2.gz VRZSCSACDDIWHJ-ZOODYHDESA-N 0 0 592.839 4.255 1 0 KIAFRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 ZINC000169298910 562852732 /nfs/dbraw/zinc/85/27/32/562852732.db2.gz FHQBRVCVSGSPFU-AHKZPQOWSA-N 0 0 516.623 4.311 1 0 KIAFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(CN3CCOCC3)C2=O)cc1 ZINC000169298912 562852731 /nfs/dbraw/zinc/85/27/31/562852731.db2.gz FHQBRVCVSGSPFU-XNMGPUDCSA-N 0 0 516.623 4.311 1 0 KIAFRN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(CN3CCN(C(C)=O)CC3)C2=O)cc1 ZINC000169298915 562852750 /nfs/dbraw/zinc/85/27/50/562852750.db2.gz CFNJYCBXWGZAKT-XRKRLSELSA-N 0 0 557.676 4.143 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H](C)S1(=O)=O ZINC000169299522 562852772 /nfs/dbraw/zinc/85/27/72/562852772.db2.gz YYMPHHBZKSWJTL-JVJIZVLZSA-N 0 0 670.733 4.017 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H](C)S1(=O)=O ZINC000169299523 562852777 /nfs/dbraw/zinc/85/27/77/562852777.db2.gz YYMPHHBZKSWJTL-NRVYCOEQSA-N 0 0 670.733 4.017 1 0 KIAFRN CCOC(=O)[C@@H]1[C@@H](c2ccccc2Cl)N(N=O)[C@@H](c2ccccc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301952 562852995 /nfs/dbraw/zinc/85/29/95/562852995.db2.gz WZXZPQPQHORWBU-YRPNKDGESA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2ccccc2Cl)N(N=O)[C@@H](c2ccccc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301953 562852994 /nfs/dbraw/zinc/85/29/94/562852994.db2.gz WZXZPQPQHORWBU-MUGJNUQGSA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@H]1[C@H](c2ccccc2Cl)N(N=O)[C@@H](c2ccccc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301954 562853010 /nfs/dbraw/zinc/85/30/10/562853010.db2.gz WZXZPQPQHORWBU-LWYYNNOASA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)N(N=O)[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169302004 562853006 /nfs/dbraw/zinc/85/30/06/562853006.db2.gz QETSABMWMLZVEV-YRPNKDGESA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2cccc(Cl)c2)N(N=O)[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169302005 562852988 /nfs/dbraw/zinc/85/29/88/562852988.db2.gz QETSABMWMLZVEV-MUGJNUQGSA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)N(N=O)[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169302007 562852996 /nfs/dbraw/zinc/85/29/96/562852996.db2.gz QETSABMWMLZVEV-LWYYNNOASA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)N(N=O)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169302009 562853004 /nfs/dbraw/zinc/85/30/04/562853004.db2.gz KPHQUXWPKJAGEO-YRPNKDGESA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N(N=O)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169302012 562853008 /nfs/dbraw/zinc/85/30/08/562853008.db2.gz KPHQUXWPKJAGEO-MUGJNUQGSA-N 0 0 529.398 4.051 1 0 KIAFRN CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)N(N=O)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169302014 562852991 /nfs/dbraw/zinc/85/29/91/562852991.db2.gz KPHQUXWPKJAGEO-LWYYNNOASA-N 0 0 529.398 4.051 1 0 KIAFRN CCCCO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O ZINC000169302251 562853026 /nfs/dbraw/zinc/85/30/26/562853026.db2.gz LBNBPPWIOZZWLF-UGALWGDUSA-N 0 0 544.729 4.372 1 0 KIAFRN CC(=O)OC(C)(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000169302358 562853063 /nfs/dbraw/zinc/85/30/63/562853063.db2.gz GMKVQEJYVZLMNA-UTTFFMQTSA-N 0 0 506.724 4.233 1 0 KIAFRN CC(C)(C)OC(=O)NCCOCCOCCOc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccccn2)c1 ZINC000169302748 562853118 /nfs/dbraw/zinc/85/31/18/562853118.db2.gz FCXAHCZHUHKDFP-VWLOTQADSA-N 0 0 565.671 4.011 1 0 KIAFRN CC(C)(C)OC(=O)NCCOCCOCCOc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccccn2)c1 ZINC000169302750 562853112 /nfs/dbraw/zinc/85/31/12/562853112.db2.gz FCXAHCZHUHKDFP-RUZDIDTESA-N 0 0 565.671 4.011 1 0 KIAFRN COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3CC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC ZINC000169302831 562853135 /nfs/dbraw/zinc/85/31/35/562853135.db2.gz JPTBPKYULKDEBD-SEJPIABJSA-N 0 0 502.011 4.120 1 0 KIAFRN CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccccn2)cc1 ZINC000169302980 562853129 /nfs/dbraw/zinc/85/31/29/562853129.db2.gz SAZQKPNFORURTI-VWLOTQADSA-N 0 0 565.671 4.011 1 0 KIAFRN CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccccn2)cc1 ZINC000169302981 562853144 /nfs/dbraw/zinc/85/31/44/562853144.db2.gz SAZQKPNFORURTI-RUZDIDTESA-N 0 0 565.671 4.011 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2ccccc2OC)N[C@@H](c2ccccc2OC)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303502 562853214 /nfs/dbraw/zinc/85/32/14/562853214.db2.gz OXACWKCUDOCMKK-DROSFRCNSA-N 0 0 558.052 4.341 1 0 KIAFRN COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3CC(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000169304375 562853306 /nfs/dbraw/zinc/85/33/06/562853306.db2.gz SSPYAPRDKNCABY-YQQQUEKLSA-N 0 0 502.011 4.120 1 0 KIAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](CCc3ccccc3)[C@H](O)[C@H]2Cc2ccccc2)c1 ZINC000169304553 562853318 /nfs/dbraw/zinc/85/33/18/562853318.db2.gz KYTKGYRYFOOIRX-QAXCHELISA-N 0 0 576.697 4.296 1 0 KIAFRN NC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(N)=O)c3)[C@@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1 ZINC000169304555 562853316 /nfs/dbraw/zinc/85/33/16/562853316.db2.gz KYTKGYRYFOOIRX-DCMFLLSESA-N 0 0 576.697 4.296 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305003 562853390 /nfs/dbraw/zinc/85/33/90/562853390.db2.gz PJDYBTQLPFLNNY-DROSFRCNSA-N 0 0 558.052 4.341 1 0 KIAFRN CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305442 562853431 /nfs/dbraw/zinc/85/34/31/562853431.db2.gz LLEMSMCAGYJKDE-QIJZPMMNSA-N 0 0 510.058 4.447 1 0 KIAFRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4cc(C)ccc4C)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3cc(C)ccc3C)C(=O)[C@H]12 ZINC000169305544 571553194 /nfs/dbraw/zinc/55/31/94/571553194.db2.gz BVGAOXJWEVFJMA-LJMQSNPKSA-N 0 0 554.643 4.361 1 0 KIAFRN CCOC(=O)N1CCN(CC(=O)N2[C@@H](c3cccc(F)c3)[C@H](C)C(=O)[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000169306590 562853573 /nfs/dbraw/zinc/85/35/73/562853573.db2.gz YSJRJMLOOVTMDD-QSCAOHDJSA-N 0 0 513.585 4.205 1 0 KIAFRN Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 ZINC000169306766 562853649 /nfs/dbraw/zinc/85/36/49/562853649.db2.gz WNGYACZPFZNWQL-UHFFFAOYSA-N 0 0 561.664 4.034 1 0 KIAFRN COCCOCn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306767 562853643 /nfs/dbraw/zinc/85/36/43/562853643.db2.gz YREXUDMRKQYWKW-UHFFFAOYSA-N 0 0 536.610 4.322 1 0 KIAFRN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(I)cc3)C(=O)[C@@H]12 ZINC000169307970 562853975 /nfs/dbraw/zinc/85/39/75/562853975.db2.gz CABLHZAQPSNNTQ-LXDRIQHSSA-N 0 0 509.413 4.106 1 0 KIAFRN O[C@H](COCCOC[C@@H](O)Cc1ccc(-c2ccccc2)cc1)Cc1cn(-c2cncc3ccccc32)nn1 ZINC000169307999 562853986 /nfs/dbraw/zinc/85/39/86/562853986.db2.gz FNQGCDUBNLXTEQ-VMPREFPWSA-N 0 0 524.621 4.023 1 0 KIAFRN C[C@H](N[P@@](=O)(COCCn1cnc2c1ncnc2N)Oc1cccc2ccccc21)C(=O)OCC(C)(C)C ZINC000169308413 562854070 /nfs/dbraw/zinc/85/40/70/562854070.db2.gz JXZPEFXLHUGJNB-DCDFMGFMSA-N 0 0 540.561 4.375 1 0 KIAFRN C[C@H](N[P@](=O)(COCCn1cnc2c1ncnc2N)Oc1cccc2ccccc21)C(=O)OCC(C)(C)C ZINC000169308414 562854055 /nfs/dbraw/zinc/85/40/55/562854055.db2.gz JXZPEFXLHUGJNB-OBICXDTRSA-N 0 0 540.561 4.375 1 0 KIAFRN C[C@H](N[P@@](=O)(COCCn1cnc2c1ncnc2N)Oc1cccc2c1CCCC2)C(=O)OCC(C)(C)C ZINC000169308415 562854072 /nfs/dbraw/zinc/85/40/72/562854072.db2.gz SYRCYVSCXMSHNC-DCDFMGFMSA-N 0 0 544.593 4.101 1 0 KIAFRN C[C@H](N[P@](=O)(COCCn1cnc2c1ncnc2N)Oc1cccc2c1CCCC2)C(=O)OCC(C)(C)C ZINC000169308416 562854063 /nfs/dbraw/zinc/85/40/63/562854063.db2.gz SYRCYVSCXMSHNC-OBICXDTRSA-N 0 0 544.593 4.101 1 0 KIAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc1cccc2c1CCCC2 ZINC000169308433 562854050 /nfs/dbraw/zinc/85/40/50/562854050.db2.gz PZDIVCRJEWEQBL-XJRLCUIISA-N 0 0 558.620 4.489 1 0 KIAFRN C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc1cccc2c1CCCC2 ZINC000169308435 562854065 /nfs/dbraw/zinc/85/40/65/562854065.db2.gz PZDIVCRJEWEQBL-AWBAQCBQSA-N 0 0 558.620 4.489 1 0 KIAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3cccc(Br)c3)c2-c2ccccc2S1(=O)=O ZINC000169308530 562854103 /nfs/dbraw/zinc/85/41/03/562854103.db2.gz DRJRTMHXWKICNV-UHFFFAOYSA-N 0 0 602.492 4.064 1 0 KIAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(Br)cc3)c2-c2ccccc2S1(=O)=O ZINC000169308532 562854097 /nfs/dbraw/zinc/85/40/97/562854097.db2.gz ZRHILVIOXMICKJ-UHFFFAOYSA-N 0 0 602.492 4.064 1 0 KIAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3Br)c2-c2ccccc2S1(=O)=O ZINC000169308534 562854112 /nfs/dbraw/zinc/85/41/12/562854112.db2.gz UKBBEUSEXSQACN-UHFFFAOYSA-N 0 0 602.492 4.064 1 0 KIAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3cccc(C(F)(F)F)c3)c2-c2ccccc2S1(=O)=O ZINC000169308541 562854096 /nfs/dbraw/zinc/85/40/96/562854096.db2.gz LOBSIZRWDBMTBN-UHFFFAOYSA-N 0 0 591.593 4.320 1 0 KIAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccc(C(F)(F)F)cc3)c2-c2ccccc2S1(=O)=O ZINC000169308542 562854089 /nfs/dbraw/zinc/85/40/89/562854089.db2.gz DUYWFEXPCXTWTN-UHFFFAOYSA-N 0 0 591.593 4.320 1 0 KIAFRN CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3ccccc3C(F)(F)F)c2-c2ccccc2S1(=O)=O ZINC000169308544 562854107 /nfs/dbraw/zinc/85/41/07/562854107.db2.gz OLNFKZZHROQIRO-UHFFFAOYSA-N 0 0 591.593 4.320 1 0 KIAFRN Cc1ccc(-n2nc(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)c3c2-c2ccccc2S(=O)(=O)N3C)cc1Cl ZINC000169308551 562854108 /nfs/dbraw/zinc/85/41/08/562854108.db2.gz UIQOPDDTXYLVSW-UHFFFAOYSA-N 0 0 572.068 4.263 1 0 KIAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2ccc(C)cc2)nn1)C(F)(F)F ZINC000169309346 562854292 /nfs/dbraw/zinc/85/42/92/562854292.db2.gz IFEAGAKNUVWLAM-XMMPIXPASA-N 0 0 516.476 4.040 1 0 KIAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2ccc(C)cc2)nn1)C(F)(F)F ZINC000169309347 562854294 /nfs/dbraw/zinc/85/42/94/562854294.db2.gz IFEAGAKNUVWLAM-DEOSSOPVSA-N 0 0 516.476 4.040 1 0 KIAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2cccc(Cl)c2)nn1)C(F)(F)F ZINC000169309352 562854324 /nfs/dbraw/zinc/85/43/24/562854324.db2.gz KSPKIIYWIIMERX-HSZRJFAPSA-N 0 0 536.894 4.385 1 0 KIAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2cccc(Cl)c2)nn1)C(F)(F)F ZINC000169309353 562854341 /nfs/dbraw/zinc/85/43/41/562854341.db2.gz KSPKIIYWIIMERX-QHCPKHFHSA-N 0 0 536.894 4.385 1 0 KIAFRN CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(CC(=O)Nc2ccccc2Br)nn1)C(F)(F)F ZINC000169309358 562854325 /nfs/dbraw/zinc/85/43/25/562854325.db2.gz LOYOMEUDGQCCIE-HSZRJFAPSA-N 0 0 581.345 4.494 1 0 KIAFRN CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(CC(=O)Nc2ccccc2Br)nn1)C(F)(F)F ZINC000169309359 562854338 /nfs/dbraw/zinc/85/43/38/562854338.db2.gz LOYOMEUDGQCCIE-QHCPKHFHSA-N 0 0 581.345 4.494 1 0 KIAFRN C/C=C1\CN2C(=O)[C@]3(c4cc(-c5cc([C@@]67C[C@H]8[C@H]9CO[C@@H]6C[C@H]9/C(=C/C)CN8C7=O)c(N)cc5OC)c(OC)cc4N)C[C@H]2[C@H]2CO[C@@H]3C[C@@H]12 ZINC000169310188 562854656 /nfs/dbraw/zinc/85/46/56/562854656.db2.gz WMPVUMKMYYEBTP-RQHVNVFTSA-N 0 0 678.830 4.202 1 0 KIAFRN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000169310385 562854769 /nfs/dbraw/zinc/85/47/69/562854769.db2.gz HATWSYGNJCKYLQ-VWLOTQADSA-N 0 0 523.464 4.368 1 0 KIAFRN Cc1cc(=O)oc2cc(OCCCCCCn3cc(CN4CCN(Cc5ccc6c(c5)OCO6)CC4)nn3)ccc12 ZINC000169311498 562855176 /nfs/dbraw/zinc/85/51/76/562855176.db2.gz RGSKNWOHFKDYPN-UHFFFAOYSA-N 0 0 559.667 4.379 1 0 KIAFRN COc1ccc(-n2nc(C(=O)Nc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000169312041 562855255 /nfs/dbraw/zinc/85/52/55/562855255.db2.gz MQBXGNAJZJXJJK-UHFFFAOYSA-N 0 0 520.542 4.238 1 0 KIAFRN COc1cc2c([O-])c(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c(=O)n(Cc3ccccc3)c2cc1OC ZINC000169312697 562855421 /nfs/dbraw/zinc/85/54/21/562855421.db2.gz WORHDPUHGADSMT-UHFFFAOYSA-N 0 0 541.648 4.415 1 0 KIAFRN COc1cc(Cn2c(=O)c(C(=O)NCC3CC[NH+](Cc4ccccc4)CC3)c([O-])c3ccccc32)cc(OC)c1O ZINC000169312701 562855419 /nfs/dbraw/zinc/85/54/19/562855419.db2.gz VRHSEGDRDZYKQN-UHFFFAOYSA-N 0 0 557.647 4.120 1 0 KIAFRN O=C(NCc1ccc(F)cc1)c1cnc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1O ZINC000169312828 562855450 /nfs/dbraw/zinc/85/54/50/562855450.db2.gz YYJIVBXIMSHMSB-UHFFFAOYSA-N 0 0 519.476 4.417 1 0 KIAFRN O=C(NCc1cccc(F)c1)c1cnc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1O ZINC000169312829 562855469 /nfs/dbraw/zinc/85/54/69/562855469.db2.gz FOTGDULRKKVQKR-UHFFFAOYSA-N 0 0 519.476 4.417 1 0 KIAFRN COc1ccc(CNC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3c2O)cc1 ZINC000169312830 562855465 /nfs/dbraw/zinc/85/54/65/562855465.db2.gz CLNOVHQDJOWHGX-UHFFFAOYSA-N 0 0 531.512 4.286 1 0 KIAFRN COc1cccc(CNC(=O)c2cnc3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3c2O)c1 ZINC000169312832 562855442 /nfs/dbraw/zinc/85/54/42/562855442.db2.gz LSHPEIAQUYWIQC-UHFFFAOYSA-N 0 0 531.512 4.286 1 0 KIAFRN O=C(NCC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000169312863 562855458 /nfs/dbraw/zinc/85/54/58/562855458.db2.gz CIAVCRPACGDZHJ-NHFJDJAPSA-N 0 0 546.668 4.483 1 0 KIAFRN Cn1ccc(NC(=O)c2cc(NC(=O)c3cc(NCCCC(=O)c4cc(NC(=O)c5cc(NC(=O)c6cncn6C)cn5C)cn4C)cn3C)cn2C)c1 ZINC000169313083 562855537 /nfs/dbraw/zinc/85/55/37/562855537.db2.gz RGJRKIOAPXZZCY-UHFFFAOYSA-N 0 0 734.822 4.197 1 0 KIAFRN CC(C)c1cc(-n2nnc(C(=O)NC3CCCCC3)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O ZINC000169313097 562855544 /nfs/dbraw/zinc/85/55/44/562855544.db2.gz DKKADLLUEKFSFF-UHFFFAOYSA-N 0 0 519.646 4.364 1 0 KIAFRN COc1cc2c(c(OC)c1OC)-c1c(c(I)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313195 562855575 /nfs/dbraw/zinc/85/55/75/562855575.db2.gz HEXSAVJLVAJCMD-MCFWBGNESA-N 0 0 558.409 4.496 1 0 KIAFRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000169317637 562856005 /nfs/dbraw/zinc/85/60/05/562856005.db2.gz QFTDPCREZCGEQF-IJOLKFQISA-N 0 0 622.873 4.008 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000169320288 562856396 /nfs/dbraw/zinc/85/63/96/562856396.db2.gz QDCHJWDMWJTPIK-YABAZIRISA-N 0 0 772.988 4.374 1 0 KIAFRN Cc1ccc([C@@](Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccccc2)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000169320472 562856422 /nfs/dbraw/zinc/85/64/22/562856422.db2.gz KLCIZWZJYIVNCF-OJWGAMAXSA-N 0 0 643.695 4.145 1 0 KIAFRN COc1ccc([C@@](Nc2nc(N)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)(c2ccc(C)cc2)c2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000169320753 562856476 /nfs/dbraw/zinc/85/64/76/562856476.db2.gz RXQUCGONPRVZAF-ZQLDFUGOSA-N 0 0 673.721 4.154 1 0 KIAFRN O=C(OC[C@H]1O[C@@H](N2CCCCCNC2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000169323059 562856960 /nfs/dbraw/zinc/85/69/60/562856960.db2.gz XXSAMXZUKQWVMB-BIYDSLDMSA-N 0 0 572.614 4.215 1 0 KIAFRN CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000169323098 562856927 /nfs/dbraw/zinc/85/69/27/562856927.db2.gz WTELPNFACFRVBF-NLRIABGZSA-N 0 0 788.946 4.496 1 0 KIAFRN COc1cc(-n2nnnc2-c2ccc(OC[C@@H]3CC(c4cccc(Cl)c4)=NO3)c(N)c2)cc(OC)c1OC ZINC000169323612 562857133 /nfs/dbraw/zinc/85/71/33/562857133.db2.gz BCLHESXAKWVYGS-IBGZPJMESA-N 0 0 536.976 4.163 1 0 KIAFRN COc1cc(-n2nnnc2-c2ccc(OC[C@H]3CC(c4cccc(Cl)c4)=NO3)c(N)c2)cc(OC)c1OC ZINC000169323614 562857118 /nfs/dbraw/zinc/85/71/18/562857118.db2.gz BCLHESXAKWVYGS-LJQANCHMSA-N 0 0 536.976 4.163 1 0 KIAFRN CN1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCOCC3)n2)CC1 ZINC000169323835 562857149 /nfs/dbraw/zinc/85/71/49/562857149.db2.gz MZRMQPJLEIBEQF-UHFFFAOYSA-N 0 0 532.052 4.149 1 0 KIAFRN Clc1ccc2c(c1)nccc2Nc1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000169323839 562857162 /nfs/dbraw/zinc/85/71/62/562857162.db2.gz ZBBDKHGULBMCRI-UHFFFAOYSA-N 0 0 562.078 4.141 1 0 KIAFRN CCOC(=O)c1cn(Cc2nc3ccccc3[nH]2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326094 562857711 /nfs/dbraw/zinc/85/77/11/562857711.db2.gz VFSLEOVSOJNWMT-UHFFFAOYSA-N 0 0 565.659 4.434 1 0 KIAFRN CCOC(=O)CCCn1cc(-c2cnc(NC(=O)[C@@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1 ZINC000169326280 562857754 /nfs/dbraw/zinc/85/77/54/562857754.db2.gz JGDYMYUBVOQLSG-QHCPKHFHSA-N 0 0 601.751 4.220 1 0 KIAFRN CCOC(=O)CCCn1cc(-c2cnc(NC(=O)[C@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1 ZINC000169326282 562857762 /nfs/dbraw/zinc/85/77/62/562857762.db2.gz JGDYMYUBVOQLSG-HSZRJFAPSA-N 0 0 601.751 4.220 1 0 KIAFRN CCOC(=O)Nc1ccc(Nc2ncnc3cc(OCCN4CCOCC4)c(OC)cc32)cc1Cl ZINC000169326668 562857821 /nfs/dbraw/zinc/85/78/21/562857821.db2.gz LVLKMUAJLHFAJJ-UHFFFAOYSA-N 0 0 501.971 4.315 1 0 KIAFRN CCOC(=O)c1cn(CCc2ccccn2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326754 562857842 /nfs/dbraw/zinc/85/78/42/562857842.db2.gz PASOMQQIMSBIIL-UHFFFAOYSA-N 0 0 540.649 4.147 1 0 KIAFRN Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CNC(=O)CC(C)(C)C)NC(=O)CCc2ccccc2)cc1 ZINC000169326840 562857841 /nfs/dbraw/zinc/85/78/41/562857841.db2.gz HWALYUOTOPZAKX-CONSDPRKSA-N 0 0 598.788 4.399 1 0 KIAFRN Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CNC(=O)CC(C)(C)C)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 ZINC000169326844 562857838 /nfs/dbraw/zinc/85/78/38/562857838.db2.gz XPIZIYYVGLXORM-CONSDPRKSA-N 0 0 637.781 4.130 1 0 KIAFRN CC(C)(C)CNC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1 ZINC000169326854 562857830 /nfs/dbraw/zinc/85/78/30/562857830.db2.gz QDGVPNUWJSFNQJ-KYJUHHDHSA-N 0 0 584.761 4.090 1 0 KIAFRN CC(C)(C)CNC(=O)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000169326865 562857847 /nfs/dbraw/zinc/85/78/47/562857847.db2.gz DDKULVADLPTYQQ-VMPREFPWSA-N 0 0 623.169 4.493 1 0 KIAFRN CC(C)(C)CNC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCc1ccccc1Cl ZINC000169326871 562857886 /nfs/dbraw/zinc/85/78/86/562857886.db2.gz XLRDMTPQCLCZCW-KYJUHHDHSA-N 0 0 658.199 4.475 1 0 KIAFRN COc1ccc(NN2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3C=C[C@@H]2[C@H](O)c2cc(Br)c(OC)c(OC)c2)cc1 ZINC000169327094 562858020 /nfs/dbraw/zinc/85/80/20/562858020.db2.gz NNDKAIKNDGJSNN-VBSYDLGNSA-N 0 0 600.510 4.462 1 0 KIAFRN Nc1nc2c(ncn2[C@H]2C=C[C@@H](COC(=O)CCCCCC(=O)OC[C@@H]3C=C[C@H](n4cnc5c4nc(N)nc5NC4CC4)C3)C2)c(NC2CC2)n1 ZINC000169327409 562858074 /nfs/dbraw/zinc/85/80/74/562858074.db2.gz SRQYGCFPSZBXOJ-ZLSIYFNSSA-N 0 0 696.817 4.251 1 0 KIAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169327736 562858140 /nfs/dbraw/zinc/85/81/40/562858140.db2.gz NTYDVUXIVLYUEG-UHFFFAOYSA-N 0 0 668.820 4.203 1 0 KIAFRN COC(=O)c1cc(OCCCCCOc2ccc(NC(=O)Cc3ccccc3)cc2)cc(C(=O)OC)n1 ZINC000169327767 562858159 /nfs/dbraw/zinc/85/81/59/562858159.db2.gz WUOMQYBLERROAK-UHFFFAOYSA-N 0 0 506.555 4.464 1 0 KIAFRN CCOC(=O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4ccccn4)CC3)ccc2c1=O ZINC000169327911 562858172 /nfs/dbraw/zinc/85/81/72/562858172.db2.gz MGRMVFSAMBHLKH-UHFFFAOYSA-N 0 0 521.980 4.136 1 0 KIAFRN CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327916 562858171 /nfs/dbraw/zinc/85/81/71/562858171.db2.gz VUMWDRBQXVHOES-PNIUZAESSA-N 0 0 522.529 4.166 1 0 KIAFRN CCOC(=O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nccs4)CC3)ccc2c1=O ZINC000169327919 562858188 /nfs/dbraw/zinc/85/81/88/562858188.db2.gz RBAHJZBCULQILS-UHFFFAOYSA-N 0 0 528.009 4.197 1 0 KIAFRN COc1cc(C(=O)N2N=C(c3ccccn3)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000169328254 562858313 /nfs/dbraw/zinc/85/83/13/562858313.db2.gz OZHUERFZCWOYJB-HXUWFJFHSA-N 0 0 507.543 4.125 1 0 KIAFRN COc1cc(C(=O)N2N=C(c3ccccn3)C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000169328256 562858319 /nfs/dbraw/zinc/85/83/19/562858319.db2.gz OZHUERFZCWOYJB-FQEVSTJZSA-N 0 0 507.543 4.125 1 0 KIAFRN CCC(O)(CC)C(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 ZINC000169329139 562858456 /nfs/dbraw/zinc/85/84/56/562858456.db2.gz WLUASPYTNBEBGW-KRWDZBQOSA-N 0 0 505.995 4.056 1 0 KIAFRN CC(=O)N1CCN(CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1 ZINC000169329984 562858642 /nfs/dbraw/zinc/85/86/42/562858642.db2.gz DDMYKFIFPVZNFV-UHFFFAOYSA-N 0 0 505.663 4.258 1 0 KIAFRN O=C(NCCO)C(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(=O)NCCO ZINC000169330189 562858652 /nfs/dbraw/zinc/85/86/52/562858652.db2.gz JIDKDSSKUSAYSF-UHFFFAOYSA-N 0 0 530.024 4.065 1 0 KIAFRN Cc1c2sc(C(=O)N3CC[C@@H](Oc4ccccc4C(F)(F)F)C3)cn2c(=O)n(Cc2ccccc2)c1=O ZINC000169330366 562858703 /nfs/dbraw/zinc/85/87/03/562858703.db2.gz BDMMXSHQKHUFKQ-GOSISDBHSA-N 0 0 529.540 4.192 1 0 KIAFRN Cc1c2sc(C(=O)N3CC[C@H](Oc4ccccc4C(F)(F)F)C3)cn2c(=O)n(Cc2ccccc2)c1=O ZINC000169330368 562858673 /nfs/dbraw/zinc/85/86/73/562858673.db2.gz BDMMXSHQKHUFKQ-SFHVURJKSA-N 0 0 529.540 4.192 1 0 KIAFRN Cc1c2sc(C(=O)N3CCC(Oc4cccc(Cl)c4)CC3)cn2c(=O)n(Cc2ccccc2)c1=O ZINC000169330371 562858692 /nfs/dbraw/zinc/85/86/92/562858692.db2.gz OOEICVKLQRDYIY-UHFFFAOYSA-N 0 0 510.015 4.216 1 0 KIAFRN O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5ccc(F)cc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169331633 562859018 /nfs/dbraw/zinc/85/90/18/562859018.db2.gz KXYQFQBDQTTWLE-UHFFFAOYSA-N 0 0 605.569 4.213 1 0 KIAFRN Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169331639 562859044 /nfs/dbraw/zinc/85/90/44/562859044.db2.gz XJRSSTHDUJGQNV-GMQQYTKMSA-N 0 0 502.615 4.399 1 0 KIAFRN Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169331646 562859060 /nfs/dbraw/zinc/85/90/60/562859060.db2.gz XJRSSTHDUJGQNV-QKDODKLFSA-N 0 0 502.615 4.399 1 0 KIAFRN COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1 ZINC000169332135 562859120 /nfs/dbraw/zinc/85/91/20/562859120.db2.gz QOHXQKYNPKCPIA-UHFFFAOYSA-N 0 0 654.793 4.161 1 0 KIAFRN CCOC(=O)C1C(=O)C[C@H](c2ccccc2)N([C@@H](O)Cn2nnc(-c3ccccc3)n2)[C@@H]1c1ccccc1 ZINC000169332342 562859147 /nfs/dbraw/zinc/85/91/47/562859147.db2.gz GZNCTZFXTVMOPL-NRRYGQPISA-N 0 0 511.582 4.222 1 0 KIAFRN COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1C(=O)c2ccc(OC)cc2O[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000169332495 562859174 /nfs/dbraw/zinc/85/91/74/562859174.db2.gz CYJIQMMKGBWRIK-VLCRHTCISA-N 0 0 539.503 4.482 1 0 KIAFRN COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@H]1C(=O)c2ccc(OC)cc2O[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000169332499 562859151 /nfs/dbraw/zinc/85/91/51/562859151.db2.gz CYJIQMMKGBWRIK-BWAGFHJFSA-N 0 0 539.503 4.482 1 0 KIAFRN CCC[C@H](N)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](C)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169332539 562859204 /nfs/dbraw/zinc/85/92/04/562859204.db2.gz XNQFVOYSSAQAQC-WRWFRHCTSA-N 0 0 582.694 4.129 1 0 KIAFRN Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1 ZINC000169333313 562859287 /nfs/dbraw/zinc/85/92/87/562859287.db2.gz RKLPFFXNQXCINY-FQEVSTJZSA-N 0 0 504.971 4.494 1 0 KIAFRN Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1 ZINC000169333318 562859259 /nfs/dbraw/zinc/85/92/59/562859259.db2.gz RKLPFFXNQXCINY-HXUWFJFHSA-N 0 0 504.971 4.494 1 0 KIAFRN Nc1nccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4ccc(F)cc4)S3(=O)=O)cc2F)c1Cl ZINC000169333320 562859277 /nfs/dbraw/zinc/85/92/77/562859277.db2.gz DCOWPNWNWVEDDO-IBGZPJMESA-N 0 0 508.934 4.325 1 0 KIAFRN Nc1nccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4ccc(F)cc4)S3(=O)=O)cc2F)c1Cl ZINC000169333322 562859263 /nfs/dbraw/zinc/85/92/63/562859263.db2.gz DCOWPNWNWVEDDO-LJQANCHMSA-N 0 0 508.934 4.325 1 0 KIAFRN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1 ZINC000169333333 562859282 /nfs/dbraw/zinc/85/92/82/562859282.db2.gz DCRCCAKQNRGEEV-FQEVSTJZSA-N 0 0 504.971 4.494 1 0 KIAFRN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(Oc4ccnc(N)c4Cl)c(F)c3)S2(=O)=O)cc1 ZINC000169333334 562859251 /nfs/dbraw/zinc/85/92/51/562859251.db2.gz DCRCCAKQNRGEEV-HXUWFJFHSA-N 0 0 504.971 4.494 1 0 KIAFRN Nc1nccc(Oc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4)S3(=O)=O)cc2F)c1Cl ZINC000169333337 562859253 /nfs/dbraw/zinc/85/92/53/562859253.db2.gz ZYOSKSGSFOKDDC-IBGZPJMESA-N 0 0 508.934 4.325 1 0 KIAFRN Nc1nccc(Oc2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4)S3(=O)=O)cc2F)c1Cl ZINC000169333340 562859293 /nfs/dbraw/zinc/85/92/93/562859293.db2.gz ZYOSKSGSFOKDDC-LJQANCHMSA-N 0 0 508.934 4.325 1 0 KIAFRN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2O[C@H]2O[C@@H](OCC)O[C@]21C ZINC000169333598 562859315 /nfs/dbraw/zinc/85/93/15/562859315.db2.gz CISIXHGYUJWRNP-SABFYABZSA-N 0 0 680.788 4.322 1 0 KIAFRN COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)cn2)c(OC)c1 ZINC000169335146 562859606 /nfs/dbraw/zinc/85/96/06/562859606.db2.gz CJKNFBFYOHEXEV-LJAQVGFWSA-N 0 0 610.758 4.092 1 0 KIAFRN COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)cn2)c(OC)c1 ZINC000169335147 562859588 /nfs/dbraw/zinc/85/95/88/562859588.db2.gz CJKNFBFYOHEXEV-GDLZYMKVSA-N 0 0 610.758 4.092 1 0 KIAFRN COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cn2)c(OC)c1 ZINC000169335148 562859605 /nfs/dbraw/zinc/85/96/05/562859605.db2.gz PZQOYXNBKNBEQN-SANMLTNESA-N 0 0 637.567 4.473 1 0 KIAFRN COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)cn2)c(OC)c1 ZINC000169335149 562859612 /nfs/dbraw/zinc/85/96/12/562859612.db2.gz PZQOYXNBKNBEQN-AREMUKBSSA-N 0 0 637.567 4.473 1 0 KIAFRN COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)cn2)c(OC)c1 ZINC000169335156 562859599 /nfs/dbraw/zinc/85/95/99/562859599.db2.gz QSCOTVISFFWUJJ-PMERELPUSA-N 0 0 608.717 4.003 1 0 KIAFRN COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCN(Cc4cc(OC)c(OC)c(OC)c4)CC3)cn2)c(OC)c1 ZINC000169335157 562859591 /nfs/dbraw/zinc/85/95/91/562859591.db2.gz QSCOTVISFFWUJJ-SSEXGKCCSA-N 0 0 608.717 4.003 1 0 KIAFRN C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000169335493 562859647 /nfs/dbraw/zinc/85/96/47/562859647.db2.gz ZIXZHBLSDODQEV-MJWKIGSCSA-N 0 0 579.775 4.051 1 0 KIAFRN N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)c3cccc4ccccc43)[C@@H](COC(=O)c3cccc4ccccc43)O[C@H]12 ZINC000169335621 562859655 /nfs/dbraw/zinc/85/96/55/562859655.db2.gz SYNSZEKJHGJWND-YULOIDQLSA-N 0 0 533.540 4.410 1 0 KIAFRN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCCN(S(C)(=O)=O)C1 ZINC000169335842 562859712 /nfs/dbraw/zinc/85/97/12/562859712.db2.gz BWNARJPLYXQWQS-FQEVSTJZSA-N 0 0 524.483 4.414 1 0 KIAFRN COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCCN(S(C)(=O)=O)C1 ZINC000169335845 562859748 /nfs/dbraw/zinc/85/97/48/562859748.db2.gz BWNARJPLYXQWQS-HXUWFJFHSA-N 0 0 524.483 4.414 1 0 KIAFRN CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(c4ncc(Cl)cn4)CC2)O3)CC1 ZINC000169336002 562859799 /nfs/dbraw/zinc/85/97/99/562859799.db2.gz XDKCOMGVQZUKBN-DEOSSOPVSA-N 0 0 503.068 4.179 1 0 KIAFRN CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(c4ncc(Cl)cn4)CC2)O3)CC1 ZINC000169336004 562859789 /nfs/dbraw/zinc/85/97/89/562859789.db2.gz XDKCOMGVQZUKBN-XMMPIXPASA-N 0 0 503.068 4.179 1 0 KIAFRN CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(c4ncc(C5CC5)cn4)CC2)O3)CC1 ZINC000169336011 562859794 /nfs/dbraw/zinc/85/97/94/562859794.db2.gz QZSGQPLGMORIGT-MHZLTWQESA-N 0 0 508.688 4.403 1 0 KIAFRN CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(c4ncc(C5CC5)cn4)CC2)O3)CC1 ZINC000169336013 562859792 /nfs/dbraw/zinc/85/97/92/562859792.db2.gz QZSGQPLGMORIGT-HHHXNRCGSA-N 0 0 508.688 4.403 1 0 KIAFRN CCCc1cnc(N2CCC([C@@H]3Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000169337173 562859945 /nfs/dbraw/zinc/85/99/45/562859945.db2.gz JZSHQAUXPDNFHH-MHZLTWQESA-N 0 0 510.704 4.478 1 0 KIAFRN CCCc1cnc(N2CCC([C@H]3Cc4cc(C5=CCN(S(=O)(=O)CCC)CC5)ccc4O3)CC2)nc1 ZINC000169337175 562859953 /nfs/dbraw/zinc/85/99/53/562859953.db2.gz JZSHQAUXPDNFHH-HHHXNRCGSA-N 0 0 510.704 4.478 1 0 KIAFRN CCCc1cnc(N2CCC([C@@]3(C)Cc4cc(C5=CCN(S(=O)(=O)CCCCO)CC5)ccc4O3)CC2)nc1 ZINC000169337208 562859986 /nfs/dbraw/zinc/85/99/86/562859986.db2.gz UGCOTKWHZOAJOP-SSEXGKCCSA-N 0 0 554.757 4.231 1 0 KIAFRN CCCc1cnc(N2CCC([C@]3(C)Cc4cc(C5=CCN(S(=O)(=O)CCCCO)CC5)ccc4O3)CC2)nc1 ZINC000169337209 562859996 /nfs/dbraw/zinc/85/99/96/562859996.db2.gz UGCOTKWHZOAJOP-PMERELPUSA-N 0 0 554.757 4.231 1 0 KIAFRN CCOC(=O)/C(C)=C/[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/c1ccc2ccccc2c1)NC(C)=O)C(C)(C)C)C(C)C ZINC000169337580 562860056 /nfs/dbraw/zinc/86/00/56/562860056.db2.gz FGOJXEHHFOPYQI-PBKKEUQUSA-N 0 0 535.685 4.498 1 0 KIAFRN CCOC(=O)/C(C)=C/[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/c1ccc(Br)cc1)NC(C)=O)C(C)(C)C)C(C)C ZINC000169337593 562860105 /nfs/dbraw/zinc/86/01/05/562860105.db2.gz XHHJCIQEYZQXSR-YTHQMOQYSA-N 0 0 564.521 4.107 1 0 KIAFRN CCOC(=O)/C(C)=C/[C@@H](NC(=O)[C@@H](NC(=O)/C(=C/c1cccc(Br)c1)NC(C)=O)C(C)(C)C)C(C)C ZINC000169337594 562860130 /nfs/dbraw/zinc/86/01/30/562860130.db2.gz LJKILRYZGBAQLP-XRLBNZCGSA-N 0 0 564.521 4.107 1 0 KIAFRN CC(C)CCCCCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](Nc2ncnc3nc[nH]c32)O[C@H]1C ZINC000169338206 562860240 /nfs/dbraw/zinc/86/02/40/562860240.db2.gz SXXAPULUKOXSQR-PZBPDWRKSA-N 0 0 518.703 4.053 1 0 KIAFRN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)/C(=C/c1ccc(Br)cc1)NC(C)=O)C(C)(C)C ZINC000169338830 562860352 /nfs/dbraw/zinc/86/03/52/562860352.db2.gz YPCCQPNRDCJETQ-FYNVDRJYSA-N 0 0 578.548 4.449 1 0 KIAFRN C[C@@H](N1CCn2cc(-c3ccc(C(F)(F)F)cc3)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169339818 562860487 /nfs/dbraw/zinc/86/04/87/562860487.db2.gz WLWPPKSLVGUSSS-VOIUYBSRSA-N 0 0 518.490 4.231 1 0 KIAFRN C[C@@H](N1CCn2cc(-c3cccc(C(F)(F)F)c3)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169339829 562860518 /nfs/dbraw/zinc/86/05/18/562860518.db2.gz ZEFNKLMBOKZCON-VOIUYBSRSA-N 0 0 518.490 4.231 1 0 KIAFRN COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3cccc(OC)c3)n2)c1 ZINC000169340225 562860584 /nfs/dbraw/zinc/86/05/84/562860584.db2.gz XXNVDPKYCNQNMD-UHFFFAOYSA-N 0 0 576.675 4.197 1 0 KIAFRN O=C(NCC1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1)OCc1ccccc1 ZINC000169340856 562860684 /nfs/dbraw/zinc/86/06/84/562860684.db2.gz IUAFJWPGEUUVDO-QHCPKHFHSA-N 0 0 528.447 4.105 1 0 KIAFRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)C2)cc1 ZINC000169340889 562860644 /nfs/dbraw/zinc/86/06/44/562860644.db2.gz LMNKQNHGVKPOLW-CPCREDONSA-N 0 0 610.755 4.379 1 0 KIAFRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3)C2)cc1 ZINC000169340891 562860673 /nfs/dbraw/zinc/86/06/73/562860673.db2.gz GJBJESYVPIHRIU-AWCRTANDSA-N 0 0 576.738 4.182 1 0 KIAFRN Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2NC(=O)c2ccccc2)CC1 ZINC000169341196 562860754 /nfs/dbraw/zinc/86/07/54/562860754.db2.gz LTCDGIZRSYIQEA-UHFFFAOYSA-N 0 0 539.680 4.316 1 0 KIAFRN CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000169341390 562860836 /nfs/dbraw/zinc/86/08/36/562860836.db2.gz ARHRRKGJKYHVOR-MPCDZSKCSA-N 0 0 514.420 4.391 1 0 KIAFRN Nc1cc2n(ccn2[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c(=O)n1 ZINC000169342169 562860950 /nfs/dbraw/zinc/86/09/50/562860950.db2.gz WIWUOCNCALAPGR-ZQSJDURZSA-N 0 0 552.631 4.363 1 0 KIAFRN [NH3+][C@H](Cc1cc(Br)c(Oc2ccc(O)c(Br)c2)c(Br)c1)C(=O)[O-] ZINC000169342215 562860958 /nfs/dbraw/zinc/86/09/58/562860958.db2.gz ITTZHLAFGNDODX-GFCCVEGCSA-N 0 0 509.976 4.426 1 0 KIAFRN [NH3+][C@@H](Cc1cc(Br)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342222 562860963 /nfs/dbraw/zinc/86/09/63/562860963.db2.gz IHSJSHFTLZJVNP-LBPRGKRZSA-N 0 0 603.976 4.111 1 0 KIAFRN [NH3+][C@H](Cc1cc(Br)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342224 562860985 /nfs/dbraw/zinc/86/09/85/562860985.db2.gz IHSJSHFTLZJVNP-GFCCVEGCSA-N 0 0 603.976 4.111 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cc(F)c(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000169342227 562860965 /nfs/dbraw/zinc/86/09/65/562860965.db2.gz GNVJBWYOPVLUDH-GFCCVEGCSA-N 0 0 668.966 4.092 1 0 KIAFRN CCC/C=C\c1ccc(CN2[C@@H](C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000169343043 562861062 /nfs/dbraw/zinc/86/10/62/562861062.db2.gz QGVDXNOGVFQAMT-AZYNXAEESA-N 0 0 513.708 4.234 1 0 KIAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343506 562861163 /nfs/dbraw/zinc/86/11/63/562861163.db2.gz FKMOTXRKPOIUHI-KULVESIUSA-N 0 0 577.546 4.147 1 0 KIAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)(C)C)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343507 562861164 /nfs/dbraw/zinc/86/11/64/562861164.db2.gz FKMOTXRKPOIUHI-JUMVDESESA-N 0 0 577.546 4.147 1 0 KIAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343510 562861184 /nfs/dbraw/zinc/86/11/84/562861184.db2.gz WSMSZEYLJBKDEY-PGPUIYBKSA-N 0 0 591.573 4.395 1 0 KIAFRN Cc1cn([C@H]2C[C@H](F)[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc3cccc4ccccc43)O2)c(=O)[nH]c1=O ZINC000169343511 562861172 /nfs/dbraw/zinc/86/11/72/562861172.db2.gz WSMSZEYLJBKDEY-NVLXBFPQSA-N 0 0 591.573 4.395 1 0 KIAFRN CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Br)cc2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000169343564 562861171 /nfs/dbraw/zinc/86/11/71/562861171.db2.gz JJZAFNLTCGWRGB-UHFFFAOYSA-N 0 0 574.478 4.293 1 0 KIAFRN COc1cc(CNC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)cc(OC)c1OC ZINC000169343803 562861256 /nfs/dbraw/zinc/86/12/56/562861256.db2.gz GVCVRADMYFYWEO-QHCPKHFHSA-N 0 0 573.668 4.252 1 0 KIAFRN COc1cc(C(=O)N[C@H](c2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)C(C)C)cc(OC)c1OC ZINC000169343806 562861265 /nfs/dbraw/zinc/86/12/65/562861265.db2.gz HYPGJXOYIZFELR-NRFANRHFSA-N 0 0 513.572 4.277 1 0 KIAFRN COc1cc(C(=O)N[C@H](c2nc(C(=O)NC3Cc4ccccc4C3)cs2)C(C)C)cc(OC)c1OC ZINC000169343811 562861266 /nfs/dbraw/zinc/86/12/66/562861266.db2.gz QZFJWNBZVUPDCV-QHCPKHFHSA-N 0 0 509.628 4.193 1 0 KIAFRN COc1cccc(Cn2cc(C(=O)N(C)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c(-c3cccc(OC)c3)n2)c1 ZINC000169343956 562861323 /nfs/dbraw/zinc/86/13/23/562861323.db2.gz WQTARMQOJUQGAM-UHFFFAOYSA-N 0 0 590.702 4.222 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cccc(Cl)c2)c(I)c1)C(=O)[O-] ZINC000169345452 562861632 /nfs/dbraw/zinc/86/16/32/562861632.db2.gz PNGUCOXNZDIGRX-CYBMUJFWSA-N 0 0 543.526 4.296 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2cccc(Br)c2)c(I)c1)C(=O)[O-] ZINC000169345454 562861634 /nfs/dbraw/zinc/86/16/34/562861634.db2.gz AFXYCBBSGIUFSN-CYBMUJFWSA-N 0 0 587.977 4.405 1 0 KIAFRN Cc1cc(C)cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)c1 ZINC000169345458 562861618 /nfs/dbraw/zinc/86/16/18/562861618.db2.gz GCHKSYWBBSEWMZ-OAHLLOKOSA-N 0 0 537.135 4.259 1 0 KIAFRN COc1c(C)cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1C ZINC000169346235 562861737 /nfs/dbraw/zinc/86/17/37/562861737.db2.gz OBBJQRUJLBNHOA-OAHLLOKOSA-N 0 0 567.161 4.268 1 0 KIAFRN COc1c(C)cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc1C ZINC000169346236 562861751 /nfs/dbraw/zinc/86/17/51/562861751.db2.gz OBBJQRUJLBNHOA-HNNXBMFYSA-N 0 0 567.161 4.268 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Sc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000169346248 562861744 /nfs/dbraw/zinc/86/17/44/562861744.db2.gz MKONWMOTNXRIPL-GFCCVEGCSA-N 0 0 667.044 4.312 1 0 KIAFRN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c3c2CCCC3)c(I)c1)C(=O)[O-] ZINC000169346258 562861770 /nfs/dbraw/zinc/86/17/70/562861770.db2.gz QFFJTUIVPITQKP-HNNXBMFYSA-N 0 0 579.172 4.227 1 0 KIAFRN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c3c2CCCC3)c(I)c1)C(=O)[O-] ZINC000169346261 562861762 /nfs/dbraw/zinc/86/17/62/562861762.db2.gz QFFJTUIVPITQKP-OAHLLOKOSA-N 0 0 579.172 4.227 1 0 KIAFRN Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3)n2c1=O ZINC000169346542 562861795 /nfs/dbraw/zinc/86/17/95/562861795.db2.gz CHWARCWCRWGSGY-UHFFFAOYSA-N 0 0 512.879 4.039 1 0 KIAFRN Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccncc2)c(-c2ccc(Cl)cc2)c2nn(C)c(=O)n21 ZINC000169346543 562861799 /nfs/dbraw/zinc/86/17/99/562861799.db2.gz WQCVKQKJPUHDNW-UHFFFAOYSA-N 0 0 526.906 4.348 1 0 KIAFRN CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(CO)nc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346554 562861782 /nfs/dbraw/zinc/86/17/82/562861782.db2.gz WFYALYNJYYGABN-UHFFFAOYSA-N 0 0 570.959 4.323 1 0 KIAFRN COc1cc(N2CCN(S(=O)(=O)c3cccc(-c4ccc(F)cc4)c3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1 ZINC000169347368 562861927 /nfs/dbraw/zinc/86/19/27/562861927.db2.gz ATUUAKNTOVEQCG-AREMUKBSSA-N 0 0 675.661 4.394 1 0 KIAFRN COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(OC(=O)c4ccccc4)c3c2=O)S1)OC(=O)c1ccccc1 ZINC000169347521 562862019 /nfs/dbraw/zinc/86/20/19/562862019.db2.gz URXTVLIISIFEPX-RNDKRWLGSA-N 0 0 632.643 4.030 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349476 562862549 /nfs/dbraw/zinc/86/25/49/562862549.db2.gz TXIZCZHBHNBKGV-NJMTUYGZSA-N 0 0 923.590 4.063 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349477 562862537 /nfs/dbraw/zinc/86/25/37/562862537.db2.gz TXIZCZHBHNBKGV-IHUVGRGJSA-N 0 0 923.590 4.063 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349478 562862547 /nfs/dbraw/zinc/86/25/47/562862547.db2.gz TXIZCZHBHNBKGV-NZKHRDNMSA-N 0 0 923.590 4.063 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349479 562862576 /nfs/dbraw/zinc/86/25/76/562862576.db2.gz TXIZCZHBHNBKGV-WLPVSNDTSA-N 0 0 923.590 4.063 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349515 562862623 /nfs/dbraw/zinc/86/26/23/562862623.db2.gz BRHJGNGRKGUNEV-NJMTUYGZSA-N 0 0 832.139 4.112 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349516 562862609 /nfs/dbraw/zinc/86/26/09/562862609.db2.gz BRHJGNGRKGUNEV-IHUVGRGJSA-N 0 0 832.139 4.112 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349517 562862599 /nfs/dbraw/zinc/86/25/99/562862599.db2.gz BRHJGNGRKGUNEV-NZKHRDNMSA-N 0 0 832.139 4.112 1 0 KIAFRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349518 562862647 /nfs/dbraw/zinc/86/26/47/562862647.db2.gz BRHJGNGRKGUNEV-WLPVSNDTSA-N 0 0 832.139 4.112 1 0 KIAFRN O=C(NCCN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)nc3c2)CC1)C(F)(F)F ZINC000169352519 562863110 /nfs/dbraw/zinc/86/31/10/562863110.db2.gz KLZBMBYHJIFRFK-UHFFFAOYSA-N 0 0 549.557 4.279 1 0 KIAFRN COc1cc2c(cc1OCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]31)ncnc2Nc1ccc(Cl)cc1F ZINC000169352714 562863151 /nfs/dbraw/zinc/86/31/51/562863151.db2.gz PSFJVFVOLHPREI-GRYUFTJMSA-N 0 0 589.093 4.395 1 0 KIAFRN CCC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352783 562863234 /nfs/dbraw/zinc/86/32/34/562863234.db2.gz AVEBEAAJTHUDEA-UHFFFAOYSA-N 0 0 556.629 4.064 1 0 KIAFRN COc1cc2c(cc1OCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]31)ncnc2Nc1ccc(Cl)cc1F ZINC000169352972 562863311 /nfs/dbraw/zinc/86/33/11/562863311.db2.gz WIPRNDUMGQLIIL-RIACCQAKSA-N 0 0 633.146 4.412 1 0 KIAFRN CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cccs1)C(=O)OC(C)C ZINC000169352974 562863303 /nfs/dbraw/zinc/86/33/03/562863303.db2.gz NGMIWDLCZVLVIR-IBGZPJMESA-N 0 0 532.713 4.438 1 0 KIAFRN CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1ccsc1)C(=O)OC(C)C ZINC000169352975 562863317 /nfs/dbraw/zinc/86/33/17/562863317.db2.gz JLXZECROFZASNT-FQEVSTJZSA-N 0 0 532.713 4.438 1 0 KIAFRN COC(=O)[C@H](NC(=O)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1cccc(OC)c1)C(C)C ZINC000169354985 562863701 /nfs/dbraw/zinc/86/37/01/562863701.db2.gz FZRRTLJCDSHGFZ-HMXCVIKNSA-N 0 0 506.349 4.067 1 0 KIAFRN COC(=O)[C@H](NC(=O)O[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1cccc(OC)c1)C(C)C ZINC000169354987 562863704 /nfs/dbraw/zinc/86/37/04/562863704.db2.gz FZRRTLJCDSHGFZ-NRSPTQNISA-N 0 0 506.349 4.067 1 0 KIAFRN COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000169355657 562863756 /nfs/dbraw/zinc/86/37/56/562863756.db2.gz AYTFKLBGOPEIAE-VJGNERBWSA-N 0 0 518.614 4.100 1 0 KIAFRN COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000169355659 562863773 /nfs/dbraw/zinc/86/37/73/562863773.db2.gz AYTFKLBGOPEIAE-QKDODKLFSA-N 0 0 518.614 4.100 1 0 KIAFRN COc1ccc([C@@H]2C[C@@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@@H+]2Cc2cccs2)cc1 ZINC000169355660 562863777 /nfs/dbraw/zinc/86/37/77/562863777.db2.gz SUJIIVQNRQJYEI-NXCFDTQHSA-N 0 0 504.612 4.254 1 0 KIAFRN COc1ccc([C@@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)C[N@@H+]2Cc2cccs2)cc1 ZINC000169355662 562863762 /nfs/dbraw/zinc/86/37/62/562863762.db2.gz SUJIIVQNRQJYEI-GSDHBNRESA-N 0 0 504.612 4.254 1 0 KIAFRN COC(=O)[C@H](COC(C)(C)C)NC(=O)O[C@@H]1C(=O)c2cc(OC)ccc2O[C@@H]1c1ccc(OC)c(Br)c1 ZINC000169355712 562863770 /nfs/dbraw/zinc/86/37/70/562863770.db2.gz MMIWVCCAMVVYGB-CDNPAEQRSA-N 0 0 580.428 4.234 1 0 KIAFRN CC(C)(C)CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nn1 ZINC000169356433 562863831 /nfs/dbraw/zinc/86/38/31/562863831.db2.gz QPPMVDJEDQFPDJ-XMMPIXPASA-N 0 0 718.677 4.246 1 0 KIAFRN COc1cc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nc(OC)n1 ZINC000169356505 562863822 /nfs/dbraw/zinc/86/38/22/562863822.db2.gz MMJBSOYEIKBSFP-AREMUKBSSA-N 0 0 657.671 4.255 1 0 KIAFRN CO[C@H]1[C@H](O[C@@H]2C[C@H]3O[C@@](O)(C2)[C@@H](C)C(=O)O[C@@H](/C=C/C=C/Br)C[C@@H](C)/C=C\C[C@H](O)[C@@H]3C)O[C@@H](C)[C@H](OC)[C@H]1OC ZINC000169356570 562863834 /nfs/dbraw/zinc/86/38/34/562863834.db2.gz RXKHKYLAQKUTIR-CZNUVGAJSA-N 0 0 661.627 4.025 1 0 KIAFRN COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])C[C@@H]3c4ccccc4N[C@@H]32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000169356807 562863871 /nfs/dbraw/zinc/86/38/71/562863871.db2.gz WQDNPNQXLNGRQH-KCXYBRFRSA-N 0 0 516.617 4.222 1 0 KIAFRN COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169357651 562863952 /nfs/dbraw/zinc/86/39/52/562863952.db2.gz NKAYACXFODVFKC-GMQQYTKMSA-N 0 0 518.614 4.100 1 0 KIAFRN COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169357653 562863953 /nfs/dbraw/zinc/86/39/53/562863953.db2.gz NKAYACXFODVFKC-QKDODKLFSA-N 0 0 518.614 4.100 1 0 KIAFRN CO[C@H]1[C@H](O[C@@H]2C[C@H]3O[C@@](O)(C2)[C@H](C)C(=O)O[C@@H](/C=C/C=C/Br)C[C@@H](C)/C=C\C[C@H](O)[C@@H]3C)O[C@@H](C)[C@H](OC)[C@H]1OC ZINC000169358015 562863964 /nfs/dbraw/zinc/86/39/64/562863964.db2.gz RXKHKYLAQKUTIR-OUZPULKLSA-N 0 0 661.627 4.025 1 0 KIAFRN CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C[C@H]2CCC[C@H]2C1)S(=O)(=O)c1ccc(CO)cc1 ZINC000169363415 562864333 /nfs/dbraw/zinc/86/43/33/562864333.db2.gz KAIGECVMSJMEED-VBWGZTFCSA-N 0 0 558.741 4.103 1 0 KIAFRN COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000169364238 562864386 /nfs/dbraw/zinc/86/43/86/562864386.db2.gz VYGOTEMSIJGVKN-QQNWGBJXSA-N 0 0 518.635 4.422 1 0 KIAFRN CNC(=O)[C@@H]1O[C@H](n2cnc3c2nc(Cl)nc3NC(=O)c2cccc(I)c2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000169368598 562864623 /nfs/dbraw/zinc/86/46/23/562864623.db2.gz SRLUUMADZNXSFL-CHCBTGSZSA-N 0 0 766.936 4.431 1 0 KIAFRN CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@](C)(O)/C=C2\[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@@H]1OC(C)=O ZINC000169370467 562864775 /nfs/dbraw/zinc/86/47/75/562864775.db2.gz NJQQWAAKIAOYTD-CABSBIRUSA-N 0 0 700.778 4.190 1 0 KIAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)[C@H](OC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C[C@@](O)([C@H](C)Oc3ccccc3)C1(C)C)C2 ZINC000169371893 562864815 /nfs/dbraw/zinc/86/48/15/562864815.db2.gz YEIKAYCGELMMHF-HBDUCEEWSA-N 0 0 795.923 4.262 1 0 KIAFRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C[C@@](O)([C@H](C)Oc3ccccc3)C1(C)C)C2 ZINC000169371895 562864814 /nfs/dbraw/zinc/86/48/14/562864814.db2.gz YEIKAYCGELMMHF-FAADYWDMSA-N 0 0 795.923 4.262 1 0 KIAFRN CCc1c(CNC(=O)c2ccc[nH]2)c(CC)c(CNC(=O)c2ccc[nH]2)c(CC)c1CNC(=O)c1ccc[nH]1 ZINC000169548076 562864928 /nfs/dbraw/zinc/86/49/28/562864928.db2.gz QAJFCMVNQQTCAM-UHFFFAOYSA-N 0 0 528.657 4.148 1 0 KIAFRN CCCO[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)CC=C(C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]2OC(=O)CC[C@]21OC(=O)c1ccccc1 ZINC000169616842 562864934 /nfs/dbraw/zinc/86/49/34/562864934.db2.gz UZKWYPOUTRMHOV-WEUYMDICSA-N 0 0 814.878 4.323 1 0 KIAFRN CN1CCN(C)[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000169685383 562865085 /nfs/dbraw/zinc/86/50/85/562865085.db2.gz CJQVHJZPYRBXFN-YBRZPMKISA-N 0 0 554.679 4.411 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCOCCOC(=O)CC(=O)OCC)ncnc2Nc1ccc(Br)cc1F ZINC000169685736 562865099 /nfs/dbraw/zinc/86/50/99/562865099.db2.gz PPNPTLLSQTYHSE-UHFFFAOYSA-N 0 0 605.417 4.291 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@@H]3CCOC3)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1 ZINC000169686768 562865131 /nfs/dbraw/zinc/86/51/31/562865131.db2.gz FLIBROUQZANMSJ-JOCHJYFZSA-N 0 0 648.761 4.454 1 0 KIAFRN CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)[C@H]3CCOC3)S(C)(=O)=O)cc2nn1-c1ccc(Nc2ccc(F)cc2)cc1 ZINC000169686769 562865120 /nfs/dbraw/zinc/86/51/20/562865120.db2.gz FLIBROUQZANMSJ-QFIPXVFZSA-N 0 0 648.761 4.454 1 0 KIAFRN CC(C)(O)CNC(=O)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 ZINC000169694279 562865227 /nfs/dbraw/zinc/86/52/27/562865227.db2.gz SWOQNZCCGRACGX-UHFFFAOYSA-N 0 0 503.986 4.075 1 0 KIAFRN CCOC(=O)N=[S@@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694333 562865267 /nfs/dbraw/zinc/86/52/67/562865267.db2.gz HCZOVFUFNUCZIL-SELHOVFBSA-N 0 0 500.419 4.167 1 0 KIAFRN CCOC(=O)N=[S@](=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694334 562865251 /nfs/dbraw/zinc/86/52/51/562865251.db2.gz HCZOVFUFNUCZIL-SKNKREGJSA-N 0 0 500.419 4.167 1 0 KIAFRN CCOC(=O)N=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1C ZINC000169694335 562865265 /nfs/dbraw/zinc/86/52/65/562865265.db2.gz IKUYWTLLGLHBDR-SKNKREGJSA-N 0 0 500.419 4.086 1 0 KIAFRN CCOC(=O)N=[S@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1C ZINC000169694336 562865266 /nfs/dbraw/zinc/86/52/66/562865266.db2.gz IKUYWTLLGLHBDR-SELHOVFBSA-N 0 0 500.419 4.086 1 0 KIAFRN CCOC(=O)N=[S@@](=O)(CC)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694337 562865274 /nfs/dbraw/zinc/86/52/74/562865274.db2.gz REXVDVJGJLCSGU-IXXDHVGBSA-N 0 0 501.403 4.134 1 0 KIAFRN CCOC(=O)N=[S@](=O)(CC)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 ZINC000169694338 562865241 /nfs/dbraw/zinc/86/52/41/562865241.db2.gz REXVDVJGJLCSGU-ZOIFVXEMSA-N 0 0 501.403 4.134 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2)n1 ZINC000169694635 562865475 /nfs/dbraw/zinc/86/54/75/562865475.db2.gz KUJRMMJLCRLYFR-ZDUSSCGKSA-N 0 0 536.058 4.013 1 0 KIAFRN CCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694641 562865443 /nfs/dbraw/zinc/86/54/43/562865443.db2.gz TYCLRJMCPCORHA-AWEZNQCLSA-N 0 0 550.085 4.403 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C(C)C)c(C)c(OC)c2)n1 ZINC000169694643 562865460 /nfs/dbraw/zinc/86/54/60/562865460.db2.gz MWUDFCDIMGEBQQ-INIZCTEOSA-N 0 0 573.720 4.455 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C3CC3)c(C)c(OC)c2)n1 ZINC000169694644 562865456 /nfs/dbraw/zinc/86/54/56/562865456.db2.gz KPPGQWZCAXPGKF-HNNXBMFYSA-N 0 0 571.704 4.209 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000169694645 562865438 /nfs/dbraw/zinc/86/54/38/562865438.db2.gz MHXLVQMEADJZEW-AWEZNQCLSA-N 0 0 548.069 4.371 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(C)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000169694649 562865487 /nfs/dbraw/zinc/86/54/87/562865487.db2.gz CJOQJVTZLODUGH-KRWDZBQOSA-N 0 0 543.694 4.446 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694656 562865503 /nfs/dbraw/zinc/86/55/03/562865503.db2.gz LGMVHJUXPHGDLP-NSHDSACASA-N 0 0 554.460 4.246 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C3CC3)c2F)n1 ZINC000169694657 562865525 /nfs/dbraw/zinc/86/55/25/562865525.db2.gz PSDDRKAIAAMWIZ-LBPRGKRZSA-N 0 0 564.043 4.264 1 0 KIAFRN CCS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694658 562865562 /nfs/dbraw/zinc/86/55/62/562865562.db2.gz PWMKVDVQZIUERF-LBPRGKRZSA-N 0 0 552.032 4.122 1 0 KIAFRN CCS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl ZINC000169694662 562865550 /nfs/dbraw/zinc/86/55/50/562865550.db2.gz HKTFGEGWADCNRV-LBPRGKRZSA-N 0 0 552.032 4.122 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(=O)(=O)C3CC3)c2Cl)n1 ZINC000169694663 562865521 /nfs/dbraw/zinc/86/55/21/562865521.db2.gz OKGNZEREGSRADT-LBPRGKRZSA-N 0 0 564.043 4.264 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694665 562865560 /nfs/dbraw/zinc/86/55/60/562865560.db2.gz VDVZHNBMUWDDEJ-LBPRGKRZSA-N 0 0 554.048 4.152 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 ZINC000169694667 562865565 /nfs/dbraw/zinc/86/55/65/562865565.db2.gz UZKYBQWCLIZKEQ-LBPRGKRZSA-N 0 0 554.048 4.152 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CCC3)[nH]c2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 ZINC000169694684 562865575 /nfs/dbraw/zinc/86/55/75/562865575.db2.gz PWHZZYHTPVVWLA-LBPRGKRZSA-N 0 0 552.032 4.122 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CCC3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694685 562865491 /nfs/dbraw/zinc/86/54/91/562865491.db2.gz BSVDYYNBLRJPDK-LBPRGKRZSA-N 0 0 552.032 4.122 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cccc(NS(=O)(=O)C3CC3)c2F)n1 ZINC000169694688 562865573 /nfs/dbraw/zinc/86/55/73/562865573.db2.gz KTEMVVIXZGQRPH-AWEZNQCLSA-N 0 0 545.641 4.031 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cccc(NS(=O)(=O)C(C)C)c2F)n1 ZINC000169694690 562865605 /nfs/dbraw/zinc/86/56/05/562865605.db2.gz MDPQVRLDMYVXFL-HNNXBMFYSA-N 0 0 547.657 4.277 1 0 KIAFRN CCCS(=O)(=O)Nc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694695 562865608 /nfs/dbraw/zinc/86/56/08/562865608.db2.gz CHJFAVOOXFQRMK-HNNXBMFYSA-N 0 0 547.657 4.278 1 0 KIAFRN COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(C)cc(NS(=O)(=O)C(C)C)c2)n1 ZINC000169694697 562865591 /nfs/dbraw/zinc/86/55/91/562865591.db2.gz WHHHFMAAFLZONI-INIZCTEOSA-N 0 0 527.651 4.026 1 0 KIAFRN CCCS(=O)(=O)Nc1c(F)ccc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694701 562865627 /nfs/dbraw/zinc/86/56/27/562865627.db2.gz XYBNZCBBCXEJJH-AWEZNQCLSA-N 0 0 565.647 4.418 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694874 562865695 /nfs/dbraw/zinc/86/56/95/562865695.db2.gz DMZDHFRORPFZGT-DNQXCXABSA-N 0 0 500.576 4.353 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@@H]2c2ccccc2OC)cc1 ZINC000169694875 562865670 /nfs/dbraw/zinc/86/56/70/562865670.db2.gz DMZDHFRORPFZGT-BJKOFHAPSA-N 0 0 500.576 4.353 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694876 562865698 /nfs/dbraw/zinc/86/56/98/562865698.db2.gz DMZDHFRORPFZGT-RPWUZVMVSA-N 0 0 500.576 4.353 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C4=NCCS4)cc3)[C@H]2c2ccccc2OC)cc1 ZINC000169694877 562865689 /nfs/dbraw/zinc/86/56/89/562865689.db2.gz DMZDHFRORPFZGT-ZEQRLZLVSA-N 0 0 500.576 4.353 1 0 KIAFRN CNC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695194 562865730 /nfs/dbraw/zinc/86/57/30/562865730.db2.gz NYUJUCLIXKCVEQ-DNQXCXABSA-N 0 0 504.608 4.428 1 0 KIAFRN CNC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695195 562865774 /nfs/dbraw/zinc/86/57/74/562865774.db2.gz NYUJUCLIXKCVEQ-RPWUZVMVSA-N 0 0 504.608 4.428 1 0 KIAFRN CNC(=O)COc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695196 562865728 /nfs/dbraw/zinc/86/57/28/562865728.db2.gz NYUJUCLIXKCVEQ-BJKOFHAPSA-N 0 0 504.608 4.428 1 0 KIAFRN CNC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695197 562865738 /nfs/dbraw/zinc/86/57/38/562865738.db2.gz NYUJUCLIXKCVEQ-ZEQRLZLVSA-N 0 0 504.608 4.428 1 0 KIAFRN COC(=O)COCc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695311 562865762 /nfs/dbraw/zinc/86/57/62/562865762.db2.gz KKEPIHUSMNAPLF-DNQXCXABSA-N 0 0 520.607 4.388 1 0 KIAFRN COC(=O)COCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695312 562865788 /nfs/dbraw/zinc/86/57/88/562865788.db2.gz KKEPIHUSMNAPLF-RPWUZVMVSA-N 0 0 520.607 4.388 1 0 KIAFRN COC(=O)COCc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695313 562865798 /nfs/dbraw/zinc/86/57/98/562865798.db2.gz KKEPIHUSMNAPLF-BJKOFHAPSA-N 0 0 520.607 4.388 1 0 KIAFRN COC(=O)COCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695314 562865825 /nfs/dbraw/zinc/86/58/25/562865825.db2.gz KKEPIHUSMNAPLF-ZEQRLZLVSA-N 0 0 520.607 4.388 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@@H]2C2COC(C)(C)OC2)cn1 ZINC000169695664 562865806 /nfs/dbraw/zinc/86/58/06/562865806.db2.gz FCBODLDICMEZSC-DHIUTWEWSA-N 0 0 506.580 4.001 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@@H]2C2COC(C)(C)OC2)cn1 ZINC000169695665 562865785 /nfs/dbraw/zinc/86/57/85/562865785.db2.gz FCBODLDICMEZSC-XZOQPEGZSA-N 0 0 506.580 4.001 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000169695666 562865829 /nfs/dbraw/zinc/86/58/29/562865829.db2.gz FCBODLDICMEZSC-PKTZIBPZSA-N 0 0 506.580 4.001 1 0 KIAFRN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccsc4)cc3)[C@H]2C2COC(C)(C)OC2)cn1 ZINC000169695667 562865834 /nfs/dbraw/zinc/86/58/34/562865834.db2.gz FCBODLDICMEZSC-GOTSBHOMSA-N 0 0 506.580 4.001 1 0 KIAFRN COCCOc1cc(F)ccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695950 562865861 /nfs/dbraw/zinc/86/58/61/562865861.db2.gz ZTWFKPMOCOUFNQ-DNQXCXABSA-N 0 0 509.534 4.098 1 0 KIAFRN COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695951 562865869 /nfs/dbraw/zinc/86/58/69/562865869.db2.gz ZTWFKPMOCOUFNQ-RPWUZVMVSA-N 0 0 509.534 4.098 1 0 KIAFRN COCCOc1cc(F)ccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695952 562865881 /nfs/dbraw/zinc/86/58/81/562865881.db2.gz ZTWFKPMOCOUFNQ-BJKOFHAPSA-N 0 0 509.534 4.098 1 0 KIAFRN COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169695953 562865887 /nfs/dbraw/zinc/86/58/87/562865887.db2.gz ZTWFKPMOCOUFNQ-ZEQRLZLVSA-N 0 0 509.534 4.098 1 0 KIAFRN COCCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696381 562866035 /nfs/dbraw/zinc/86/60/35/562866035.db2.gz MASDIXIQUWEPRS-JWQCQUIFSA-N 0 0 505.571 4.349 1 0 KIAFRN COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696382 562866011 /nfs/dbraw/zinc/86/60/11/562866011.db2.gz MASDIXIQUWEPRS-RPBOFIJWSA-N 0 0 505.571 4.349 1 0 KIAFRN COCCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696383 562866003 /nfs/dbraw/zinc/86/60/03/562866003.db2.gz MASDIXIQUWEPRS-LOSJGSFVSA-N 0 0 505.571 4.349 1 0 KIAFRN COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000169696384 562866033 /nfs/dbraw/zinc/86/60/33/562866033.db2.gz MASDIXIQUWEPRS-DQEYMECFSA-N 0 0 505.571 4.349 1 0 KIAFRN CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696405 562866001 /nfs/dbraw/zinc/86/60/01/562866001.db2.gz BQVNRSZEHRLEDC-RRPNLBNLSA-N 0 0 521.635 4.283 1 0 KIAFRN CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696406 562865981 /nfs/dbraw/zinc/86/59/81/562865981.db2.gz BQVNRSZEHRLEDC-KAYWLYCHSA-N 0 0 521.635 4.283 1 0 KIAFRN CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696407 562866021 /nfs/dbraw/zinc/86/60/21/562866021.db2.gz BQVNRSZEHRLEDC-SVBPBHIXSA-N 0 0 521.635 4.283 1 0 KIAFRN CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696408 562865991 /nfs/dbraw/zinc/86/59/91/562865991.db2.gz BQVNRSZEHRLEDC-SXOMAYOGSA-N 0 0 521.635 4.283 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696421 562866065 /nfs/dbraw/zinc/86/60/65/562866065.db2.gz DJPBURYKJXMQIH-RPWUZVMVSA-N 0 0 503.555 4.101 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696422 562866097 /nfs/dbraw/zinc/86/60/97/562866097.db2.gz DJPBURYKJXMQIH-ZEQRLZLVSA-N 0 0 503.555 4.101 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696423 562866091 /nfs/dbraw/zinc/86/60/91/562866091.db2.gz DJPBURYKJXMQIH-DNQXCXABSA-N 0 0 503.555 4.101 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3OC3CCOCC3)cc2)no1 ZINC000169696424 562866095 /nfs/dbraw/zinc/86/60/95/562866095.db2.gz DJPBURYKJXMQIH-BJKOFHAPSA-N 0 0 503.555 4.101 1 0 KIAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696595 562866211 /nfs/dbraw/zinc/86/62/11/562866211.db2.gz ODXNXQDRNKHLPZ-FTJBHMTQSA-N 0 0 514.578 4.226 1 0 KIAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696596 562866167 /nfs/dbraw/zinc/86/61/67/562866167.db2.gz ODXNXQDRNKHLPZ-UIOOFZCWSA-N 0 0 514.578 4.226 1 0 KIAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696597 562866195 /nfs/dbraw/zinc/86/61/95/562866195.db2.gz ODXNXQDRNKHLPZ-CLJLJLNGSA-N 0 0 514.578 4.226 1 0 KIAFRN Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000169696598 562866219 /nfs/dbraw/zinc/86/62/19/562866219.db2.gz ODXNXQDRNKHLPZ-IZZNHLLZSA-N 0 0 514.578 4.226 1 0 KIAFRN COCCOc1ccccc1[C@@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696643 562866207 /nfs/dbraw/zinc/86/62/07/562866207.db2.gz LHHCBPJQPMFWGL-ILBGXUMGSA-N 0 0 513.637 4.289 1 0 KIAFRN COCCOc1ccccc1[C@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696644 562866203 /nfs/dbraw/zinc/86/62/03/562866203.db2.gz LHHCBPJQPMFWGL-UKILVPOCSA-N 0 0 513.637 4.289 1 0 KIAFRN COCCOc1ccccc1[C@@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696645 562866199 /nfs/dbraw/zinc/86/61/99/562866199.db2.gz LHHCBPJQPMFWGL-NOZRDPDXSA-N 0 0 513.637 4.289 1 0 KIAFRN COCCOc1ccccc1[C@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696646 562866201 /nfs/dbraw/zinc/86/62/01/562866201.db2.gz LHHCBPJQPMFWGL-ZCYQVOJMSA-N 0 0 513.637 4.289 1 0 KIAFRN COCCNC(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696711 562866247 /nfs/dbraw/zinc/86/62/47/562866247.db2.gz QCPUGAZMZLLJIV-AOYPEHQESA-N 0 0 533.650 4.383 1 0 KIAFRN COCCNC(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696712 562866227 /nfs/dbraw/zinc/86/62/27/562866227.db2.gz QCPUGAZMZLLJIV-RSXGOPAZSA-N 0 0 533.650 4.383 1 0 KIAFRN COCCNC(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696713 562866237 /nfs/dbraw/zinc/86/62/37/562866237.db2.gz QCPUGAZMZLLJIV-AZGAKELHSA-N 0 0 533.650 4.383 1 0 KIAFRN COCCNC(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696714 562866231 /nfs/dbraw/zinc/86/62/31/562866231.db2.gz QCPUGAZMZLLJIV-AHWVRZQESA-N 0 0 533.650 4.383 1 0 KIAFRN Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696723 562866293 /nfs/dbraw/zinc/86/62/93/562866293.db2.gz FIFLEAPMPFILEA-RPBOFIJWSA-N 0 0 518.635 4.286 1 0 KIAFRN Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696724 562866328 /nfs/dbraw/zinc/86/63/28/562866328.db2.gz FIFLEAPMPFILEA-DQEYMECFSA-N 0 0 518.635 4.286 1 0 KIAFRN Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696725 562866310 /nfs/dbraw/zinc/86/63/10/562866310.db2.gz FIFLEAPMPFILEA-JWQCQUIFSA-N 0 0 518.635 4.286 1 0 KIAFRN Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)cs1 ZINC000169696726 562866336 /nfs/dbraw/zinc/86/63/36/562866336.db2.gz FIFLEAPMPFILEA-LOSJGSFVSA-N 0 0 518.635 4.286 1 0 KIAFRN COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696731 562866291 /nfs/dbraw/zinc/86/62/91/562866291.db2.gz KDLQDYNCCPDIKO-IZZNHLLZSA-N 0 0 516.594 4.472 1 0 KIAFRN COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696732 562866283 /nfs/dbraw/zinc/86/62/83/562866283.db2.gz KDLQDYNCCPDIKO-UIOOFZCWSA-N 0 0 516.594 4.472 1 0 KIAFRN COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696733 562866338 /nfs/dbraw/zinc/86/63/38/562866338.db2.gz KDLQDYNCCPDIKO-CLJLJLNGSA-N 0 0 516.594 4.472 1 0 KIAFRN COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696734 562866319 /nfs/dbraw/zinc/86/63/19/562866319.db2.gz KDLQDYNCCPDIKO-FTJBHMTQSA-N 0 0 516.594 4.472 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696760 562866289 /nfs/dbraw/zinc/86/62/89/562866289.db2.gz QWXOCLXPZNZCFA-RPBOFIJWSA-N 0 0 516.598 4.001 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696761 562866312 /nfs/dbraw/zinc/86/63/12/562866312.db2.gz QWXOCLXPZNZCFA-DQEYMECFSA-N 0 0 516.598 4.001 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696762 562866345 /nfs/dbraw/zinc/86/63/45/562866345.db2.gz QWXOCLXPZNZCFA-JWQCQUIFSA-N 0 0 516.598 4.001 1 0 KIAFRN Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)no1 ZINC000169696763 562866287 /nfs/dbraw/zinc/86/62/87/562866287.db2.gz QWXOCLXPZNZCFA-LOSJGSFVSA-N 0 0 516.598 4.001 1 0 KIAFRN C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 ZINC000169697103 562866379 /nfs/dbraw/zinc/86/63/79/562866379.db2.gz ZHYHTIDPJGVZKS-QHCPKHFHSA-N 0 0 511.512 4.485 1 0 KIAFRN CN(C(=O)Cc1ccccc1)c1nnc(CCSCCc2nnc(N(C)C(=O)Cc3ccccc3)s2)s1 ZINC000169697655 562866535 /nfs/dbraw/zinc/86/65/35/562866535.db2.gz GZYJDQQYDXPYKL-UHFFFAOYSA-N 0 0 552.751 4.319 1 0 KIAFRN CC(=O)OC[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](COC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697662 562866517 /nfs/dbraw/zinc/86/65/17/562866517.db2.gz AAPSEJHARWXRCC-PSWAGMNNSA-N 0 0 668.823 4.479 1 0 KIAFRN CC(=O)OC[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](COC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697663 562866545 /nfs/dbraw/zinc/86/65/45/562866545.db2.gz AAPSEJHARWXRCC-ZEQRLZLVSA-N 0 0 668.823 4.479 1 0 KIAFRN CC(=O)OC[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](COC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697664 562866542 /nfs/dbraw/zinc/86/65/42/562866542.db2.gz AAPSEJHARWXRCC-DNQXCXABSA-N 0 0 668.823 4.479 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(N(COC(=O)OCCCN3CCOCC3)C(=O)Cc3ccccc3)s2)s1 ZINC000169697684 562866537 /nfs/dbraw/zinc/86/65/37/562866537.db2.gz LPYDKXAETQPSPN-UHFFFAOYSA-N 0 0 725.919 4.498 1 0 KIAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)C3(C(F)(F)F)CC3)s2)s1)C1(C(F)(F)F)CC1 ZINC000169697747 562866584 /nfs/dbraw/zinc/86/65/84/562866584.db2.gz FADSMKVSBISAQS-UHFFFAOYSA-N 0 0 560.571 4.470 1 0 KIAFRN CC(=O)O[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697760 562866617 /nfs/dbraw/zinc/86/66/17/562866617.db2.gz JGWQLMCXCPKLMK-ZEQRLZLVSA-N 0 0 608.702 4.441 1 0 KIAFRN CC(=O)O[C@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697769 562866616 /nfs/dbraw/zinc/86/66/16/562866616.db2.gz ZLKRTGVKQRFYIS-ZEQRLZLVSA-N 0 0 640.769 4.394 1 0 KIAFRN O=C(Cc1ccsc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccsc3)s2)s1 ZINC000169697795 562866618 /nfs/dbraw/zinc/86/66/18/562866618.db2.gz ZKPVNJHCWNXJJP-UHFFFAOYSA-N 0 0 536.755 4.393 1 0 KIAFRN O=C(Cc1cccs1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccs3)s2)s1 ZINC000169697798 562866623 /nfs/dbraw/zinc/86/66/23/562866623.db2.gz MENMKOJMTDAXPP-UHFFFAOYSA-N 0 0 504.688 4.440 1 0 KIAFRN O=C(Cc1ccsc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccsc3)s2)s1 ZINC000169697799 562866601 /nfs/dbraw/zinc/86/66/01/562866601.db2.gz AGXJKXBYWSIWNJ-UHFFFAOYSA-N 0 0 504.688 4.440 1 0 KIAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3C[C@H](O)c4ccccc43)s2)s1)[C@@H]1C[C@@H](O)c2ccccc21 ZINC000169697813 562866641 /nfs/dbraw/zinc/86/66/41/562866641.db2.gz ICYJMLSBRMNNTE-YSFYHYPLSA-N 0 0 576.704 4.274 1 0 KIAFRN O=C(Cc1cccs1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccs3)s2)s1 ZINC000169697856 562866674 /nfs/dbraw/zinc/86/66/74/562866674.db2.gz DKBONRCIWHEFSI-UHFFFAOYSA-N 0 0 536.755 4.393 1 0 KIAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]3COc4ccccc43)s2)s1)[C@@H]1COc2ccccc21 ZINC000169697900 562866725 /nfs/dbraw/zinc/86/67/25/562866725.db2.gz YMSNHMPLGRDMEY-QZTJIDSGSA-N 0 0 580.717 4.137 1 0 KIAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H]3COc4ccccc43)s2)s1)[C@H]1COc2ccccc21 ZINC000169697901 562866718 /nfs/dbraw/zinc/86/67/18/562866718.db2.gz YMSNHMPLGRDMEY-HDICACEKSA-N 0 0 580.717 4.137 1 0 KIAFRN O=C(Nc1nnc(CCSCCc2nnc(NC(=O)[C@H]3COc4ccccc43)s2)s1)[C@H]1COc2ccccc21 ZINC000169697902 562866713 /nfs/dbraw/zinc/86/67/13/562866713.db2.gz YMSNHMPLGRDMEY-ROUUACIJSA-N 0 0 580.717 4.137 1 0 KIAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3COc4ccccc43)s2)s1)[C@@H]1COc2ccccc21 ZINC000169697904 562866717 /nfs/dbraw/zinc/86/67/17/562866717.db2.gz VLMRSLKNYCHQNO-QZTJIDSGSA-N 0 0 548.650 4.184 1 0 KIAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3COc4ccccc43)s2)s1)[C@H]1COc2ccccc21 ZINC000169697905 562866698 /nfs/dbraw/zinc/86/66/98/562866698.db2.gz VLMRSLKNYCHQNO-HDICACEKSA-N 0 0 548.650 4.184 1 0 KIAFRN O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3COc4ccccc43)s2)s1)[C@H]1COc2ccccc21 ZINC000169697906 562866708 /nfs/dbraw/zinc/86/67/08/562866708.db2.gz VLMRSLKNYCHQNO-ROUUACIJSA-N 0 0 548.650 4.184 1 0 KIAFRN CC[C@@](O)(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@](O)(CC)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697911 562866701 /nfs/dbraw/zinc/86/67/01/562866701.db2.gz ZJWPMPSMNNBBRN-NSOVKSMOSA-N 0 0 612.803 4.381 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1 ZINC000169697917 562866703 /nfs/dbraw/zinc/86/67/03/562866703.db2.gz HCXUZDJSWFZINK-UHFFFAOYSA-N 0 0 584.749 4.288 1 0 KIAFRN COc1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(OC)c(OC)c4)s3)s2)cc1OC ZINC000169697918 562866719 /nfs/dbraw/zinc/86/67/19/562866719.db2.gz XEXFHZCQHJENBT-UHFFFAOYSA-N 0 0 644.801 4.305 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1 ZINC000169697920 562866704 /nfs/dbraw/zinc/86/67/04/562866704.db2.gz KTTFQWKVAWFWFZ-UHFFFAOYSA-N 0 0 552.682 4.335 1 0 KIAFRN COc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(OC)c(OC)c4)s3)s2)cc1OC ZINC000169697921 562866706 /nfs/dbraw/zinc/86/67/06/562866706.db2.gz NFABZIGKWMSEQA-UHFFFAOYSA-N 0 0 612.734 4.352 1 0 KIAFRN COc1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(OC)cc4)s3)s2)cc1 ZINC000169697922 562866709 /nfs/dbraw/zinc/86/67/09/562866709.db2.gz XDKWXPTUUKNYNY-UHFFFAOYSA-N 0 0 584.749 4.288 1 0 KIAFRN CN(C)c1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(N(C)C)cc4)s3)s2)cc1 ZINC000169697923 562866702 /nfs/dbraw/zinc/86/67/02/562866702.db2.gz VRMNHQSXLSTQFG-UHFFFAOYSA-N 0 0 610.835 4.402 1 0 KIAFRN COc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(OC)cc4)s3)s2)cc1 ZINC000169697924 562866699 /nfs/dbraw/zinc/86/66/99/562866699.db2.gz MLDNCQRAAFKYKZ-UHFFFAOYSA-N 0 0 552.682 4.335 1 0 KIAFRN CN(C)c1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(N(C)C)cc4)s3)s2)cc1 ZINC000169697925 562866711 /nfs/dbraw/zinc/86/67/11/562866711.db2.gz OXOUWOHQQVXDHS-UHFFFAOYSA-N 0 0 578.768 4.449 1 0 KIAFRN CC(=O)O[C@@H](C(=O)Nc1nnc(CCCc2nnc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697937 562866754 /nfs/dbraw/zinc/86/67/54/562866754.db2.gz TYFRMMOPSDHYPO-ZRZAMGCNSA-N 0 0 594.675 4.051 1 0 KIAFRN CC(=O)O[C@H](C(=O)Nc1nnc(CCCc2nnc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697938 562866756 /nfs/dbraw/zinc/86/67/56/562866756.db2.gz TYFRMMOPSDHYPO-GOTSBHOMSA-N 0 0 594.675 4.051 1 0 KIAFRN CC(=O)O[C@@H](C(=O)Nc1nnc(CCCc2nnc(NC(=O)[C@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697939 562866755 /nfs/dbraw/zinc/86/67/55/562866755.db2.gz TYFRMMOPSDHYPO-DHIUTWEWSA-N 0 0 594.675 4.051 1 0 KIAFRN CC(=O)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697943 562866758 /nfs/dbraw/zinc/86/67/58/562866758.db2.gz JGWQLMCXCPKLMK-PSWAGMNNSA-N 0 0 608.702 4.441 1 0 KIAFRN CC(=O)O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC(C)=O)c3ccccc3)s2)s1)c1ccccc1 ZINC000169697944 562866743 /nfs/dbraw/zinc/86/67/43/562866743.db2.gz JGWQLMCXCPKLMK-DNQXCXABSA-N 0 0 608.702 4.441 1 0 KIAFRN O=C(CN1C(=O)OC[C@@H]1c1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)CN3C(=O)OC[C@@H]3c3ccccc3)s2)s1 ZINC000169697983 562866786 /nfs/dbraw/zinc/86/67/86/562866786.db2.gz PUXYCTYQCRUGON-FGZHOGPDSA-N 0 0 694.821 4.172 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3ccccc3)s2)s1 ZINC000169697985 562866791 /nfs/dbraw/zinc/86/67/91/562866791.db2.gz SBMOOYCHHGGHRB-UHFFFAOYSA-N 0 0 510.670 4.228 1 0 KIAFRN COc1cc(CC(=O)NC(=N)SC(=N)CCSCCc2nnc(NC(=O)Cc3cc(OC)cc(OC)c3)s2)cc(OC)c1 ZINC000169697988 562866778 /nfs/dbraw/zinc/86/67/78/562866778.db2.gz IXYDZWZSFJUSIJ-UHFFFAOYSA-N 0 0 646.817 4.424 1 0 KIAFRN COc1cc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cc(OC)cc(OC)c4)s3)s2)cc(OC)c1 ZINC000169698001 562866819 /nfs/dbraw/zinc/86/68/19/562866819.db2.gz ZSGOIUMCPUVPHM-UHFFFAOYSA-N 0 0 612.734 4.352 1 0 KIAFRN COc1ccccc1CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1 ZINC000169698024 562866817 /nfs/dbraw/zinc/86/68/17/562866817.db2.gz IBWFMXRWOZNAJU-UHFFFAOYSA-N 0 0 584.749 4.288 1 0 KIAFRN O=C(Cc1cccs1)Nc1nnc(CCSCc2nnc(NC(=O)Cc3cccs3)s2)s1 ZINC000169698052 562866844 /nfs/dbraw/zinc/86/68/44/562866844.db2.gz WETZVFQFMMVDSI-UHFFFAOYSA-N 0 0 522.728 4.351 1 0 KIAFRN COc1ccccc1CC(=O)Nc1nnc(CCSCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1 ZINC000169698068 562866880 /nfs/dbraw/zinc/86/68/80/562866880.db2.gz ODUWSDHEJFGPST-UHFFFAOYSA-N 0 0 570.722 4.245 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCSCc3nnc(NC(=O)Cc4cccc(OC)c4)s3)s2)c1 ZINC000169698070 562866881 /nfs/dbraw/zinc/86/68/81/562866881.db2.gz GUKFNZBJRLSKEK-UHFFFAOYSA-N 0 0 570.722 4.245 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4cccc(OC)c4OC)s3)s2)c1OC ZINC000169698092 562866884 /nfs/dbraw/zinc/86/68/84/562866884.db2.gz ZIQLSKJEVVUCFI-UHFFFAOYSA-N 0 0 644.801 4.305 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(OC)c4OC)s3)s2)c1OC ZINC000169698094 562866898 /nfs/dbraw/zinc/86/68/98/562866898.db2.gz GGVXLDVDQZTEKP-UHFFFAOYSA-N 0 0 612.734 4.352 1 0 KIAFRN COc1ccccc1CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3OC)s2)s1 ZINC000169698107 562866918 /nfs/dbraw/zinc/86/69/18/562866918.db2.gz XLPNVIIGDHVMHU-UHFFFAOYSA-N 0 0 552.682 4.335 1 0 KIAFRN COc1ccc(OC)c(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698117 562866912 /nfs/dbraw/zinc/86/69/12/562866912.db2.gz LXFWXDPMFJMIID-UHFFFAOYSA-N 0 0 552.682 4.335 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1 ZINC000169698205 562867007 /nfs/dbraw/zinc/86/70/07/562867007.db2.gz YMVAHDWFRWUEDF-DEOSSOPVSA-N 0 0 537.045 4.400 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1 ZINC000169698206 562866997 /nfs/dbraw/zinc/86/69/97/562866997.db2.gz YMVAHDWFRWUEDF-XMMPIXPASA-N 0 0 537.045 4.400 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](OC(=O)CCN3CCOCC3)c3ccccc3)s2)nn1 ZINC000169698227 562867051 /nfs/dbraw/zinc/86/70/51/562867051.db2.gz RBIHDJYTZFMFHX-HKBQPEDESA-N 0 0 643.770 4.020 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](OC(=O)CCN3CCOCC3)c3ccccc3)s2)nn1 ZINC000169698228 562867053 /nfs/dbraw/zinc/86/70/53/562867053.db2.gz RBIHDJYTZFMFHX-WJOKGBTCSA-N 0 0 643.770 4.020 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(F)c(O)c3F)s2)s1 ZINC000169698237 562867035 /nfs/dbraw/zinc/86/70/35/562867035.db2.gz CAWFQIXGIFXNOM-UHFFFAOYSA-N 0 0 544.609 4.301 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)s1 ZINC000169698238 562867060 /nfs/dbraw/zinc/86/70/60/562867060.db2.gz OFGQXVWZCNFYBK-NRFANRHFSA-N 0 0 543.074 4.462 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)s1 ZINC000169698239 562867040 /nfs/dbraw/zinc/86/70/40/562867040.db2.gz OFGQXVWZCNFYBK-OAQYLSRUSA-N 0 0 543.074 4.462 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cc(F)cc(F)c3)s2)nn1 ZINC000169698241 562867023 /nfs/dbraw/zinc/86/70/23/562867023.db2.gz NERVCIFBNPSTKT-DEOSSOPVSA-N 0 0 538.580 4.025 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)s2)nn1 ZINC000169698242 562867025 /nfs/dbraw/zinc/86/70/25/562867025.db2.gz NERVCIFBNPSTKT-XMMPIXPASA-N 0 0 538.580 4.025 1 0 KIAFRN O=C(Cc1ccccc1)Nc1ccc(CCCCc2nnc(NC(=O)NCc3ccccc3)s2)nn1 ZINC000169698243 562867033 /nfs/dbraw/zinc/86/70/33/562867033.db2.gz NOYDFIFBPUOSCR-UHFFFAOYSA-N 0 0 501.616 4.396 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698244 562867039 /nfs/dbraw/zinc/86/70/39/562867039.db2.gz VLFKNSIKMJVDHR-UHFFFAOYSA-N 0 0 516.627 4.265 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(C[C@@H]2C[C@H]2Cc2nnc(NC(=O)Cc3ccccc3)s2)s1 ZINC000169698255 562867069 /nfs/dbraw/zinc/86/70/69/562867069.db2.gz HROAFZLZQSBWII-OALUTQOASA-N 0 0 504.641 4.173 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)[C@@H](O)c3cccc(Cl)c3)nn2)s1 ZINC000169698260 562867101 /nfs/dbraw/zinc/86/71/01/562867101.db2.gz BVRYEQMXCQXDRQ-DEOSSOPVSA-N 0 0 537.045 4.400 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)[C@H](O)c3cccc(Cl)c3)nn2)s1 ZINC000169698261 562867075 /nfs/dbraw/zinc/86/70/75/562867075.db2.gz BVRYEQMXCQXDRQ-XMMPIXPASA-N 0 0 537.045 4.400 1 0 KIAFRN COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698262 562867103 /nfs/dbraw/zinc/86/71/03/562867103.db2.gz PLQJIFTZIOOZFG-UHFFFAOYSA-N 0 0 516.627 4.265 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)s1 ZINC000169698272 562867089 /nfs/dbraw/zinc/86/70/89/562867089.db2.gz NDGVLCOPNYOEAP-FQEVSTJZSA-N 0 0 561.114 4.372 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCSCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)s1 ZINC000169698273 562867068 /nfs/dbraw/zinc/86/70/68/562867068.db2.gz NDGVLCOPNYOEAP-HXUWFJFHSA-N 0 0 561.114 4.372 1 0 KIAFRN O=C(Cc1cccc(-n2ccnc2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698276 562867086 /nfs/dbraw/zinc/86/70/86/562867086.db2.gz CSVIFQKFLCDXCS-UHFFFAOYSA-N 0 0 552.664 4.442 1 0 KIAFRN COc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1OC ZINC000169698294 562867111 /nfs/dbraw/zinc/86/71/11/562867111.db2.gz SWRIWOVIDOBCKJ-UHFFFAOYSA-N 0 0 546.653 4.273 1 0 KIAFRN COc1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc(OC)c1 ZINC000169698295 562867124 /nfs/dbraw/zinc/86/71/24/562867124.db2.gz GJLYBUCQNVZWDJ-UHFFFAOYSA-N 0 0 546.653 4.273 1 0 KIAFRN COc1cccc([C@@H](OC(=O)CCN2CCOCC2)C(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698301 562867132 /nfs/dbraw/zinc/86/71/32/562867132.db2.gz MHHQIIIXFBKWGQ-JGCGQSQUSA-N 0 0 673.796 4.029 1 0 KIAFRN COc1cccc([C@H](OC(=O)CCN2CCOCC2)C(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698302 562867105 /nfs/dbraw/zinc/86/71/05/562867105.db2.gz MHHQIIIXFBKWGQ-YTTGMZPUSA-N 0 0 673.796 4.029 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)NCc3ccccc3)nn2)s1 ZINC000169698303 562867128 /nfs/dbraw/zinc/86/71/28/562867128.db2.gz KXHJPVXZTRTJMB-UHFFFAOYSA-N 0 0 501.616 4.396 1 0 KIAFRN COc1cccc(CNC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)c1 ZINC000169698316 562867114 /nfs/dbraw/zinc/86/71/14/562867114.db2.gz JICMNLQCNNQECX-UHFFFAOYSA-N 0 0 537.671 4.467 1 0 KIAFRN CCNC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)s2)nn1 ZINC000169698320 562867119 /nfs/dbraw/zinc/86/71/19/562867119.db2.gz OCTDMSJHTFAJKB-UHFFFAOYSA-N 0 0 568.704 4.241 1 0 KIAFRN CC(=O)Nc1ccc(CCCCc2nnc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)s2)nn1 ZINC000169698326 562867127 /nfs/dbraw/zinc/86/71/27/562867127.db2.gz PVVNNLMYRVNNRX-UHFFFAOYSA-N 0 0 539.662 4.058 1 0 KIAFRN CC(=O)Nc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1 ZINC000169698328 562867135 /nfs/dbraw/zinc/86/71/35/562867135.db2.gz ANKZRNRFCQLFEI-UHFFFAOYSA-N 0 0 543.653 4.214 1 0 KIAFRN COCCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698330 562867169 /nfs/dbraw/zinc/86/71/69/562867169.db2.gz QRRBNYIJEPRHNQ-UHFFFAOYSA-N 0 0 560.680 4.281 1 0 KIAFRN CC(=O)N(C)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698349 562867149 /nfs/dbraw/zinc/86/71/49/562867149.db2.gz STZUPNMNUOTWKL-UHFFFAOYSA-N 0 0 571.707 4.234 1 0 KIAFRN CC(=O)Nc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698361 562867198 /nfs/dbraw/zinc/86/71/98/562867198.db2.gz LUPKTWUOXFHXMW-UHFFFAOYSA-N 0 0 543.653 4.214 1 0 KIAFRN CCNC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698363 562867171 /nfs/dbraw/zinc/86/71/71/562867171.db2.gz YGLLYYNZGOITKU-UHFFFAOYSA-N 0 0 586.722 4.075 1 0 KIAFRN CCOC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698366 562867179 /nfs/dbraw/zinc/86/71/79/562867179.db2.gz MMNMCWVDLJBPFD-UHFFFAOYSA-N 0 0 572.691 4.362 1 0 KIAFRN COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@@H](O)c4cccc(Cl)c4)s3)nn2)c1 ZINC000169698377 562867170 /nfs/dbraw/zinc/86/71/70/562867170.db2.gz FLMYUBIYQAXHGU-VWLOTQADSA-N 0 0 567.071 4.409 1 0 KIAFRN COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)[C@H](O)c4cccc(Cl)c4)s3)nn2)c1 ZINC000169698378 562867173 /nfs/dbraw/zinc/86/71/73/562867173.db2.gz FLMYUBIYQAXHGU-RUZDIDTESA-N 0 0 567.071 4.409 1 0 KIAFRN COc1ccccc1CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698383 562867190 /nfs/dbraw/zinc/86/71/90/562867190.db2.gz CHEZXVISXSQZAL-UHFFFAOYSA-N 0 0 516.627 4.265 1 0 KIAFRN O=C(Cc1cccc(CC(=O)N2CCCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698387 562867183 /nfs/dbraw/zinc/86/71/83/562867183.db2.gz DSGJFIUGRAPETR-UHFFFAOYSA-N 0 0 597.745 4.421 1 0 KIAFRN O=C(Cc1cccc(CN2CCCC2=O)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698392 562867221 /nfs/dbraw/zinc/86/72/21/562867221.db2.gz LLGHWSDBIHMSSP-UHFFFAOYSA-N 0 0 583.718 4.378 1 0 KIAFRN CC(C)(O)COc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698395 562867232 /nfs/dbraw/zinc/86/72/32/562867232.db2.gz QMUCVOSUIVSWBZ-UHFFFAOYSA-N 0 0 574.707 4.406 1 0 KIAFRN CCN(C)C(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698399 562867231 /nfs/dbraw/zinc/86/72/31/562867231.db2.gz BKGPLGLBZJIDBM-UHFFFAOYSA-N 0 0 585.734 4.277 1 0 KIAFRN O=C(Cc1cccc(CC(=O)N2CCC2)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698400 562867210 /nfs/dbraw/zinc/86/72/10/562867210.db2.gz FPLOWRBRMJOXKN-UHFFFAOYSA-N 0 0 583.718 4.031 1 0 KIAFRN CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)OC(C)(C)C)c3)nn2)s1 ZINC000169698405 562867203 /nfs/dbraw/zinc/86/72/03/562867203.db2.gz WXEJPACHZUXUEB-UHFFFAOYSA-N 0 0 539.662 4.058 1 0 KIAFRN CCCNC(=O)Cc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698411 562867229 /nfs/dbraw/zinc/86/72/29/562867229.db2.gz DLMLJJXSIMKLGG-UHFFFAOYSA-N 0 0 585.734 4.325 1 0 KIAFRN CCOC(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698415 562867215 /nfs/dbraw/zinc/86/72/15/562867215.db2.gz XSWAJRJEVVADBB-UHFFFAOYSA-N 0 0 572.691 4.362 1 0 KIAFRN O=C(CC1=CN2CCCN=C2S1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698429 562867246 /nfs/dbraw/zinc/86/72/46/562867246.db2.gz GUDDDQDQRQSPNV-UHFFFAOYSA-N 0 0 548.698 4.053 1 0 KIAFRN O=C(Cc1cccc2n[nH]cc21)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698430 562867241 /nfs/dbraw/zinc/86/72/41/562867241.db2.gz SBOZXBOCOWCXFH-UHFFFAOYSA-N 0 0 526.626 4.132 1 0 KIAFRN COc1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1F ZINC000169698433 562867261 /nfs/dbraw/zinc/86/72/61/562867261.db2.gz XXMCOQOUQSCSQL-UHFFFAOYSA-N 0 0 534.617 4.404 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3F)nn2)s1 ZINC000169698438 562867244 /nfs/dbraw/zinc/86/72/44/562867244.db2.gz IWSBUILUJRLFPN-UHFFFAOYSA-N 0 0 504.591 4.395 1 0 KIAFRN CC(=O)N1CCN(Cc2cc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)ccc2F)CC1 ZINC000169698442 562867255 /nfs/dbraw/zinc/86/72/55/562867255.db2.gz UOMWJKPVXHOMIK-UHFFFAOYSA-N 0 0 644.777 4.059 1 0 KIAFRN COc1ccccc1CC(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3F)nn2)s1 ZINC000169698446 562867271 /nfs/dbraw/zinc/86/72/71/562867271.db2.gz SERMPBBIZYQIGS-UHFFFAOYSA-N 0 0 534.617 4.404 1 0 KIAFRN COc1cc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)ccc1F ZINC000169698451 562867239 /nfs/dbraw/zinc/86/72/39/562867239.db2.gz XKEGWVSQPNIQMQ-UHFFFAOYSA-N 0 0 534.617 4.404 1 0 KIAFRN O=C(Cc1ccc(F)c(O)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698452 562867259 /nfs/dbraw/zinc/86/72/59/562867259.db2.gz LDTYJJGNGZMPPN-UHFFFAOYSA-N 0 0 520.590 4.101 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(OCCCO)c3)nn2)s1 ZINC000169698453 562867283 /nfs/dbraw/zinc/86/72/83/562867283.db2.gz CUYNZFCBLKHFPW-UHFFFAOYSA-N 0 0 560.680 4.017 1 0 KIAFRN COc1ccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)cc1F ZINC000169698460 562867277 /nfs/dbraw/zinc/86/72/77/562867277.db2.gz PNSCEUUMQNGDBD-UHFFFAOYSA-N 0 0 534.617 4.404 1 0 KIAFRN CCOc1cc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)ccc1O ZINC000169698476 562867287 /nfs/dbraw/zinc/86/72/87/562867287.db2.gz TXAJIKODVOZCTM-UHFFFAOYSA-N 0 0 546.653 4.360 1 0 KIAFRN O=C(Cc1cccc(CNC(=O)C[C@@H](O)C(F)(F)F)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698512 562867307 /nfs/dbraw/zinc/86/73/07/562867307.db2.gz JEHNOKCOJXSWSP-XMMPIXPASA-N 0 0 655.703 4.185 1 0 KIAFRN O=C(Cc1cccc(CNC(=O)C[C@H](O)C(F)(F)F)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698513 562867322 /nfs/dbraw/zinc/86/73/22/562867322.db2.gz JEHNOKCOJXSWSP-DEOSSOPVSA-N 0 0 655.703 4.185 1 0 KIAFRN CS(=O)(=O)CCCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698519 562867317 /nfs/dbraw/zinc/86/73/17/562867317.db2.gz KWAVAAIETSDFNG-UHFFFAOYSA-N 0 0 622.773 4.069 1 0 KIAFRN CC(=O)N[C@@H](C)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698528 562867356 /nfs/dbraw/zinc/86/73/56/562867356.db2.gz VCDNSOKNVRNSHA-FQEVSTJZSA-N 0 0 571.707 4.453 1 0 KIAFRN CC(=O)N[C@H](C)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698529 562867361 /nfs/dbraw/zinc/86/73/61/562867361.db2.gz VCDNSOKNVRNSHA-HXUWFJFHSA-N 0 0 571.707 4.453 1 0 KIAFRN C[C@@H](O)c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698534 562867350 /nfs/dbraw/zinc/86/73/50/562867350.db2.gz QVOWGRZNXMXZSW-LJQANCHMSA-N 0 0 530.654 4.309 1 0 KIAFRN C[C@H](O)c1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698535 562867343 /nfs/dbraw/zinc/86/73/43/562867343.db2.gz QVOWGRZNXMXZSW-IBGZPJMESA-N 0 0 530.654 4.309 1 0 KIAFRN CO[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698571 562867394 /nfs/dbraw/zinc/86/73/94/562867394.db2.gz SPHFQBKJSRDPGQ-FUFSCUOVSA-N 0 0 685.729 4.330 1 0 KIAFRN CO[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698572 562867393 /nfs/dbraw/zinc/86/73/93/562867393.db2.gz SPHFQBKJSRDPGQ-GIGWZHCTSA-N 0 0 685.729 4.330 1 0 KIAFRN CO[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698574 562867390 /nfs/dbraw/zinc/86/73/90/562867390.db2.gz SPHFQBKJSRDPGQ-PWUYWRBVSA-N 0 0 685.729 4.330 1 0 KIAFRN CO[C@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3cccc(CNC(=O)C[C@H](O)C(F)(F)F)c3)nn2)s1)c1ccccc1 ZINC000169698576 562867388 /nfs/dbraw/zinc/86/73/88/562867388.db2.gz SPHFQBKJSRDPGQ-OUTSHDOLSA-N 0 0 685.729 4.330 1 0 KIAFRN C[C@@H](O)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698606 562867399 /nfs/dbraw/zinc/86/73/99/562867399.db2.gz HXBYWBXKQVXJSK-LJQANCHMSA-N 0 0 530.654 4.309 1 0 KIAFRN C[C@H](O)c1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698608 562867407 /nfs/dbraw/zinc/86/74/07/562867407.db2.gz HXBYWBXKQVXJSK-IBGZPJMESA-N 0 0 530.654 4.309 1 0 KIAFRN CC(C)CNC(=O)COc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1 ZINC000169698671 562867437 /nfs/dbraw/zinc/86/74/37/562867437.db2.gz YIPBNAJMHCASCU-UHFFFAOYSA-N 0 0 615.760 4.407 1 0 KIAFRN CC(=O)N1Cc2cccc(CC(=O)Nc3nnc(CCCCc4ccc(NC(=O)Cc5ccccc5)nn4)s3)c2C1 ZINC000169698674 562867446 /nfs/dbraw/zinc/86/74/46/562867446.db2.gz BJFLOFQOVMXKCV-UHFFFAOYSA-N 0 0 569.691 4.118 1 0 KIAFRN CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC000169698944 562867511 /nfs/dbraw/zinc/86/75/11/562867511.db2.gz HAIGJWGQFLXRPQ-SQHAQQRYSA-N 0 0 516.013 4.337 1 0 KIAFRN O=C([O-])C1CC([NH2+][C@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@H]2O)C1 ZINC000169700224 562867653 /nfs/dbraw/zinc/86/76/53/562867653.db2.gz IVNNCMRZQKFXQE-GLXDCOBASA-N 0 0 542.470 4.325 1 0 KIAFRN O=C([O-])C1(C[NH2+][C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CC1 ZINC000169700225 562867619 /nfs/dbraw/zinc/86/76/19/562867619.db2.gz KDVVGVIULMIHIH-UZLBHIALSA-N 0 0 542.470 4.326 1 0 KIAFRN CNC(=O)[C@@H]1[NH2+]C2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)cnc1OC(C)(C)C(=O)[O-] ZINC000169700263 562867630 /nfs/dbraw/zinc/86/76/30/562867630.db2.gz GDKORIPRSJAYBE-ASHZAFPQSA-N 0 0 561.466 4.025 1 0 KIAFRN O=C([O-])N1CC(NC(=O)[C@@H]2[NH2+]C3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1 ZINC000169700267 562867709 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CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NCc1ccccc1 ZINC000169702113 562868186 /nfs/dbraw/zinc/86/81/86/562868186.db2.gz BQWWAZOZDJROFE-STXQHDJLSA-N 0 0 670.615 4.249 1 0 KIAFRN CCC[C@@H](C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000169702115 562868177 /nfs/dbraw/zinc/86/81/77/562868177.db2.gz GGWWZSKHPHUDIG-HQTOUJSTSA-N 0 0 650.625 4.237 1 0 KIAFRN CCC[C@H](C)NC(=O)C(=O)[C@H](CC)NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000169702116 562868191 /nfs/dbraw/zinc/86/81/91/562868191.db2.gz GGWWZSKHPHUDIG-UOYQKJQJSA-N 0 0 650.625 4.237 1 0 KIAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NCC(F)(F)F ZINC000169702121 562868193 /nfs/dbraw/zinc/86/81/93/562868193.db2.gz FMQLLJJKTLJHMC-HJNYFJLDSA-N 0 0 676.541 4.001 1 0 KIAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NC1CC1 ZINC000169702123 562868194 /nfs/dbraw/zinc/86/81/94/562868194.db2.gz HBSWEZXYFZOCOH-NHTMILBNSA-N 0 0 669.027 4.254 1 0 KIAFRN CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ccc(Cl)cc2)CC1)C(=O)C(=O)NCCc1ccccc1 ZINC000169702128 562868240 /nfs/dbraw/zinc/86/82/40/562868240.db2.gz IWVHDBTWXSMDEF-PKXQUSJVSA-N 0 0 684.642 4.291 1 0 KIAFRN CCC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2Cl)CN1C(=O)C1(c2ncc(Cl)cc2F)CC1)C(=O)C(=O)NCc1ccccc1 ZINC000169702141 562868204 /nfs/dbraw/zinc/86/82/04/562868204.db2.gz XJKKWXRUCDAJHK-RZFJZAQRSA-N 0 0 703.620 4.173 1 0 KIAFRN CCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1Cc1ccccc1)CC2 ZINC000169702144 562868239 /nfs/dbraw/zinc/86/82/39/562868239.db2.gz LCEXTUXBBIUSHU-UHFFFAOYSA-N 0 0 537.668 4.377 1 0 KIAFRN CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3sccc3Cl)CC4)cn2)CC1 ZINC000169702262 562868341 /nfs/dbraw/zinc/86/83/41/562868341.db2.gz NPLWJNUFUFHZGR-UHFFFAOYSA-N 0 0 509.039 4.481 1 0 KIAFRN CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(OC(F)F)cc3)CC4)cn2)CC1 ZINC000169702286 562868320 /nfs/dbraw/zinc/86/83/20/562868320.db2.gz DVKCGYZMPSNIFZ-UHFFFAOYSA-N 0 0 534.571 4.368 1 0 KIAFRN COc1cc(C(=O)NCCN2CCOCC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000169702388 562868317 /nfs/dbraw/zinc/86/83/17/562868317.db2.gz LQZSJSXTLJDLEA-UHFFFAOYSA-N 0 0 574.085 4.110 1 0 KIAFRN Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccc(C(=O)NC4CN(C)C4)cc3Cl)nc1-2 ZINC000169702462 562868407 /nfs/dbraw/zinc/86/84/07/562868407.db2.gz KDWUIPNRUHSAIM-UHFFFAOYSA-N 0 0 514.033 4.392 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCC1=CCCN=C1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000169702516 562868410 /nfs/dbraw/zinc/86/84/10/562868410.db2.gz YEPBPHCYBDHOBY-JUKUECOXSA-N 0 0 702.922 4.464 1 0 KIAFRN COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(Cc1cccnc1)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1 ZINC000169702518 562868445 /nfs/dbraw/zinc/86/84/45/562868445.db2.gz HFUXRPBSYXZPSJ-DITALETJSA-N 0 0 659.809 4.059 1 0 KIAFRN CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000169702524 562868419 /nfs/dbraw/zinc/86/84/19/562868419.db2.gz CSYIPXNMQBOKOI-LITSAYRRSA-N 0 0 717.683 4.095 1 0 KIAFRN Cc1ncccc1C(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000169702527 562868420 /nfs/dbraw/zinc/86/84/20/562868420.db2.gz CHSBRNNCLHYJDH-YZNIXAGQSA-N 0 0 688.689 4.070 1 0 KIAFRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2Br)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cn1 ZINC000169702528 562868424 /nfs/dbraw/zinc/86/84/24/562868424.db2.gz DAHWRZGCASRPDQ-FIBWVYCGSA-N 0 0 688.689 4.070 1 0 KIAFRN Cc1cccnc1C(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000169702531 562868479 /nfs/dbraw/zinc/86/84/79/562868479.db2.gz MSIMMIBPIBEVJQ-WNJJXGMVSA-N 0 0 688.689 4.070 1 0 KIAFRN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2Br)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1O ZINC000169702532 562868488 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C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CNS(C)(=O)=O)c(Cl)c1 ZINC000169703319 562868718 /nfs/dbraw/zinc/86/87/18/562868718.db2.gz ULMYDLMWPKJQDG-MRXNPFEDSA-N 0 0 547.043 4.459 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CNS(C)(=O)=O)c(Cl)c1 ZINC000169703320 562868709 /nfs/dbraw/zinc/86/87/09/562868709.db2.gz ULMYDLMWPKJQDG-INIZCTEOSA-N 0 0 547.043 4.459 1 0 KIAFRN Cc1cc(NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)ccc1CNS(C)(=O)=O ZINC000169703327 562868711 /nfs/dbraw/zinc/86/87/11/562868711.db2.gz VOABDLHRSZBDAJ-UHFFFAOYSA-N 0 0 513.586 4.016 1 0 KIAFRN CCS(=O)(=O)NCc1ccc([C@@H](C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F ZINC000169703330 562868739 /nfs/dbraw/zinc/86/87/39/562868739.db2.gz DNFJEOQWECTZFD-QGZVFWFLSA-N 0 0 544.615 4.335 1 0 KIAFRN CCS(=O)(=O)NCc1ccc([C@H](C)C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)cc1F ZINC000169703331 562868720 /nfs/dbraw/zinc/86/87/20/562868720.db2.gz DNFJEOQWECTZFD-KRWDZBQOSA-N 0 0 544.615 4.335 1 0 KIAFRN C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CN(C)S(C)(=O)=O)c(F)c1 ZINC000169703338 562868719 /nfs/dbraw/zinc/86/87/19/562868719.db2.gz XNNMKUJTBOKRLK-QGZVFWFLSA-N 0 0 544.615 4.287 1 0 KIAFRN C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(CN(C)S(C)(=O)=O)c(F)c1 ZINC000169703339 562868717 /nfs/dbraw/zinc/86/87/17/562868717.db2.gz XNNMKUJTBOKRLK-KRWDZBQOSA-N 0 0 544.615 4.287 1 0 KIAFRN CCNc1nc2ccc(OC)cc2cc1Cc1c2cc(OC)c(OC)cc2c(CNC(C)=O)nc1OC(C)=O ZINC000169703374 562868707 /nfs/dbraw/zinc/86/87/07/562868707.db2.gz GNAZSOBKJRSETJ-UHFFFAOYSA-N 0 0 532.597 4.393 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000169703425 562868744 /nfs/dbraw/zinc/86/87/44/562868744.db2.gz GXPNFGXPRGEFOB-UHFFFAOYSA-N 0 0 577.647 4.432 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC000169703429 562868785 /nfs/dbraw/zinc/86/87/85/562868785.db2.gz WSLPNSLOAVFHRC-UHFFFAOYSA-N 0 0 592.784 4.403 1 0 KIAFRN CCN(CC)c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1 ZINC000169703430 562868781 /nfs/dbraw/zinc/86/87/81/562868781.db2.gz ANKFREQTQATETM-UHFFFAOYSA-N 0 0 580.773 4.259 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)CC1 ZINC000169703435 562868768 /nfs/dbraw/zinc/86/87/68/562868768.db2.gz AKCQQLSPZGYWSN-UHFFFAOYSA-N 0 0 693.889 4.470 1 0 KIAFRN CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(N4CCN(C(=O)c5ccccc5)CC4)cc3)c2)CC1 ZINC000169703436 562868777 /nfs/dbraw/zinc/86/87/77/562868777.db2.gz SKJPLNMFUPLAME-UHFFFAOYSA-N 0 0 697.880 4.375 1 0 KIAFRN CC(C)c1nn(-c2ccc(C(N)=O)c(NCC(F)(F)F)c2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 ZINC000169703519 562868818 /nfs/dbraw/zinc/86/88/18/562868818.db2.gz AOXVOFIBUUZJQZ-UHFFFAOYSA-N 0 0 523.523 4.203 1 0 KIAFRN Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3NC3CCC3)cn2)cn1 ZINC000169703567 562868824 /nfs/dbraw/zinc/86/88/24/562868824.db2.gz GYFWQAPSPSQSQW-UHFFFAOYSA-N 0 0 521.507 4.089 1 0 KIAFRN Cn1cc(-c2cn(-c3ccnc4c3c(C(F)(F)F)nn4-c3ccc(C(N)=O)cc3NC3CCCC3)cn2)cn1 ZINC000169703568 562868811 /nfs/dbraw/zinc/86/88/11/562868811.db2.gz MUIWPPNSOFSLPI-UHFFFAOYSA-N 0 0 535.534 4.479 1 0 KIAFRN CCNc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c1nccc2-n1cnc(-c2cnn(CC)c2)c1 ZINC000169703587 562868828 /nfs/dbraw/zinc/86/88/28/562868828.db2.gz VXGQPFFVQWEAHK-UHFFFAOYSA-N 0 0 509.496 4.039 1 0 KIAFRN O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(OCCOCCO)cc3)nc2n1 ZINC000169704114 562868921 /nfs/dbraw/zinc/86/89/21/562868921.db2.gz KXPAFONJDDXHFV-UHFFFAOYSA-N 0 0 501.587 4.224 1 0 KIAFRN CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3cc(C(F)(F)F)ccc32)cc1F ZINC000169704427 562868941 /nfs/dbraw/zinc/86/89/41/562868941.db2.gz YWPKHRMHEYTCQI-QGZVFWFLSA-N 0 0 525.471 4.217 1 0 KIAFRN CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3cc(OC(F)(F)F)ccc32)cc1F ZINC000169704431 562868939 /nfs/dbraw/zinc/86/89/39/562868939.db2.gz GNHJKGFZUDFHID-QGZVFWFLSA-N 0 0 541.470 4.097 1 0 KIAFRN 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KIAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)cc(=O)n2C)C3=O)c(OC)n1 ZINC000169705824 562869727 /nfs/dbraw/zinc/86/97/27/562869727.db2.gz KEIMAURQUMCKHJ-QFIPXVFZSA-N 0 0 535.004 4.349 1 0 KIAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705825 562869734 /nfs/dbraw/zinc/86/97/34/562869734.db2.gz BDEZXXNFTKBOGY-OAQYLSRUSA-N 0 0 535.004 4.349 1 0 KIAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705826 562869711 /nfs/dbraw/zinc/86/97/11/562869711.db2.gz BDEZXXNFTKBOGY-NRFANRHFSA-N 0 0 535.004 4.349 1 0 KIAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)cn(C)c1=O)C2=O ZINC000169705827 562869738 /nfs/dbraw/zinc/86/97/38/562869738.db2.gz HODHZDNYDFOHPY-JOCHJYFZSA-N 0 0 548.047 4.406 1 0 KIAFRN COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)cn(C)c1=O)C2=O ZINC000169705828 562869730 /nfs/dbraw/zinc/86/97/30/562869730.db2.gz HODHZDNYDFOHPY-QFIPXVFZSA-N 0 0 548.047 4.406 1 0 KIAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)nnc2OC)C3=O)c(OC)n1 ZINC000169705835 562869732 /nfs/dbraw/zinc/86/97/32/562869732.db2.gz COEUCSXIXTVWEF-HXUWFJFHSA-N 0 0 535.992 4.448 1 0 KIAFRN COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)nnc2OC)C3=O)c(OC)n1 ZINC000169705836 562869724 /nfs/dbraw/zinc/86/97/24/562869724.db2.gz COEUCSXIXTVWEF-FQEVSTJZSA-N 0 0 535.992 4.448 1 0 KIAFRN COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705863 562869759 /nfs/dbraw/zinc/86/97/59/562869759.db2.gz JHZIDLJOAGDEQT-SPLOXXLWSA-N 0 0 585.448 4.320 1 0 KIAFRN COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705864 562869754 /nfs/dbraw/zinc/86/97/54/562869754.db2.gz JHZIDLJOAGDEQT-SZNDQCEHSA-N 0 0 585.448 4.320 1 0 KIAFRN COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705865 562869742 /nfs/dbraw/zinc/86/97/42/562869742.db2.gz XFVPAUGALMSDDA-SPLOXXLWSA-N 0 0 585.448 4.320 1 0 KIAFRN COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705866 562869751 /nfs/dbraw/zinc/86/97/51/562869751.db2.gz XFVPAUGALMSDDA-SZNDQCEHSA-N 0 0 585.448 4.320 1 0 KIAFRN COC[C@@H](C)n1c(-c2cnc(N(C)C)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705867 562869743 /nfs/dbraw/zinc/86/97/43/562869743.db2.gz IRKAVWLRLAKNOM-IVZQSRNASA-N 0 0 598.491 4.377 1 0 KIAFRN COC[C@@H](C)n1c(-c2cnc(N(C)C)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705868 562869764 /nfs/dbraw/zinc/86/97/64/562869764.db2.gz IRKAVWLRLAKNOM-QRQCRPRQSA-N 0 0 598.491 4.377 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2cn1C ZINC000169706127 562869866 /nfs/dbraw/zinc/86/98/66/562869866.db2.gz LEKTYHNLYAWFRQ-IKMHFHMFSA-N 0 0 671.093 4.427 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2cn1C ZINC000169706128 562869890 /nfs/dbraw/zinc/86/98/90/562869890.db2.gz LEKTYHNLYAWFRQ-VWKUWHCXSA-N 0 0 671.093 4.427 1 0 KIAFRN CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(SCCNC(C)=O)ccn43)c12 ZINC000169706585 562869883 /nfs/dbraw/zinc/86/98/83/562869883.db2.gz VBCOTGUQEBOJLR-UHFFFAOYSA-N 0 0 527.654 4.479 1 0 KIAFRN C[N@H+](CC(=O)[O-])C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1 ZINC000169706920 562869923 /nfs/dbraw/zinc/86/99/23/562869923.db2.gz HVTBDBBRIIDFMN-UHFFFAOYSA-N 0 0 500.607 4.218 1 0 KIAFRN CCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)ccc1F ZINC000169707334 562869962 /nfs/dbraw/zinc/86/99/62/562869962.db2.gz TXRAFTIXFVGWSZ-KRWDZBQOSA-N 0 0 520.483 4.231 1 0 KIAFRN CC(C)Oc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)ccc1F ZINC000169707339 562869960 /nfs/dbraw/zinc/86/99/60/562869960.db2.gz FZLIQPIKKMPJJY-HNNXBMFYSA-N 0 0 506.456 4.439 1 0 KIAFRN CCCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)ccc1F ZINC000169707340 562869958 /nfs/dbraw/zinc/86/99/58/562869958.db2.gz WTTAJRDVCMBRMA-HNNXBMFYSA-N 0 0 506.456 4.440 1 0 KIAFRN CCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707355 562869952 /nfs/dbraw/zinc/86/99/52/562869952.db2.gz VWCJPXVYCDPTCS-SFHVURJKSA-N 0 0 502.493 4.092 1 0 KIAFRN CCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707356 562869966 /nfs/dbraw/zinc/86/99/66/562869966.db2.gz KGFXXJMBUHDCGZ-IBGZPJMESA-N 0 0 516.520 4.482 1 0 KIAFRN CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707357 562869967 /nfs/dbraw/zinc/86/99/67/562869967.db2.gz GCXASTZORHCFMW-IBGZPJMESA-N 0 0 516.520 4.480 1 0 KIAFRN COc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707359 562869940 /nfs/dbraw/zinc/86/99/40/562869940.db2.gz FVRMFHDOKKLNTM-QAPCUYQASA-N 0 0 502.493 4.090 1 0 KIAFRN CCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707360 562869943 /nfs/dbraw/zinc/86/99/43/562869943.db2.gz XTJOCWSCXIIJSS-APWZRJJASA-N 0 0 516.520 4.480 1 0 KIAFRN COCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707363 562869954 /nfs/dbraw/zinc/86/99/54/562869954.db2.gz YJNXKVHFXFEIQG-XLIONFOSSA-N 0 0 546.546 4.107 1 0 KIAFRN COCCOc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)ccc1F ZINC000169707364 562869941 /nfs/dbraw/zinc/86/99/41/562869941.db2.gz WEBPYIXUKFDXED-APWZRJJASA-N 0 0 564.536 4.246 1 0 KIAFRN COc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)ccc1F ZINC000169707365 562869957 /nfs/dbraw/zinc/86/99/57/562869957.db2.gz ARHVWFURECTIJR-PBHICJAKSA-N 0 0 520.483 4.229 1 0 KIAFRN CCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707368 562869944 /nfs/dbraw/zinc/86/99/44/562869944.db2.gz AUGGRFNASCTQDF-KRWDZBQOSA-N 0 0 520.483 4.231 1 0 KIAFRN COCCOc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707373 562869945 /nfs/dbraw/zinc/86/99/45/562869945.db2.gz OATVXPBVVCMMSS-APWZRJJASA-N 0 0 564.536 4.246 1 0 KIAFRN CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1F ZINC000169707386 562869942 /nfs/dbraw/zinc/86/99/42/562869942.db2.gz OKOPMKANAZTNBU-HNNXBMFYSA-N 0 0 506.456 4.439 1 0 KIAFRN CCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1F ZINC000169707388 562869946 /nfs/dbraw/zinc/86/99/46/562869946.db2.gz RYGHPQXGHWRTHC-KRWDZBQOSA-N 0 0 520.483 4.231 1 0 KIAFRN COc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1F ZINC000169707391 562869997 /nfs/dbraw/zinc/86/99/97/562869997.db2.gz VZFFFDBWAOWUFW-PBHICJAKSA-N 0 0 520.483 4.229 1 0 KIAFRN COCCOc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1F ZINC000169707394 562869995 /nfs/dbraw/zinc/86/99/95/562869995.db2.gz NZPSKDZLLMUCNP-APWZRJJASA-N 0 0 564.536 4.246 1 0 KIAFRN O=C(Nc1cc(-c2cc(F)cc(COCC(F)(F)F)c2)n(-c2ccccc2Cl)n1)[C@@H]1CNC(=O)C1 ZINC000169707413 562869994 /nfs/dbraw/zinc/86/99/94/562869994.db2.gz VHRRLLBESPIVTN-HNNXBMFYSA-N 0 0 510.875 4.485 1 0 KIAFRN O=C(Nc1cc(-c2cc(F)cc(COCC(F)(F)F)c2)n(-c2cccc(Cl)c2)n1)[C@@H]1CNC(=O)C1 ZINC000169707414 562869977 /nfs/dbraw/zinc/86/99/77/562869977.db2.gz NVFGHCNMGHWEDH-HNNXBMFYSA-N 0 0 510.875 4.485 1 0 KIAFRN O=C(Nc1cc(-c2cc(F)cc(COCC(F)(F)F)c2)n(-c2ccc(Cl)cc2)n1)[C@@H]1CNC(=O)C1 ZINC000169707415 562869996 /nfs/dbraw/zinc/86/99/96/562869996.db2.gz FLZPINCXRJCQPB-HNNXBMFYSA-N 0 0 510.875 4.485 1 0 KIAFRN CC(C)Oc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707420 562869973 /nfs/dbraw/zinc/86/99/73/562869973.db2.gz NZPRTMKYMKYBLF-HNNXBMFYSA-N 0 0 506.456 4.439 1 0 KIAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1)C(F)(F)F ZINC000169707424 562869975 /nfs/dbraw/zinc/86/99/75/562869975.db2.gz PQKOZRIIOOCUNJ-CJNGLKHVSA-N 0 0 508.447 4.360 1 0 KIAFRN COc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707426 562869978 /nfs/dbraw/zinc/86/99/78/562869978.db2.gz ZMWAXLVRSYJYLI-PBHICJAKSA-N 0 0 520.483 4.229 1 0 KIAFRN CC(C)Oc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(OC(F)(F)F)c2)c1 ZINC000169707429 562869981 /nfs/dbraw/zinc/86/99/81/562869981.db2.gz WNAMGXUDHNOXOX-HNNXBMFYSA-N 0 0 506.456 4.439 1 0 KIAFRN CCOc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(COCC(F)(F)F)c2)c1 ZINC000169707431 562869998 /nfs/dbraw/zinc/86/99/98/562869998.db2.gz SXVYJPVVBBMLRX-KRWDZBQOSA-N 0 0 520.483 4.231 1 0 KIAFRN COc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707434 562869972 /nfs/dbraw/zinc/86/99/72/562869972.db2.gz OYINGPRCZWLDJO-PBHICJAKSA-N 0 0 520.483 4.229 1 0 KIAFRN C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707450 562869983 /nfs/dbraw/zinc/86/99/83/562869983.db2.gz WXPKQKSGSNWWEP-KZULUSFZSA-N 0 0 525.890 4.419 1 0 KIAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C2CCOCC2)c1)C(F)(F)F ZINC000169707463 562870015 /nfs/dbraw/zinc/87/00/15/562870015.db2.gz XFKWLFKDGHENST-CJNGLKHVSA-N 0 0 514.932 4.097 1 0 KIAFRN O=C(Nc1cc(-c2cc(Cl)cc(COCC(F)(F)F)c2)n(-c2ccccc2F)n1)[C@@H]1CNC(=O)C1 ZINC000169707466 562870032 /nfs/dbraw/zinc/87/00/32/562870032.db2.gz CQJUCDZJUHEJIT-HNNXBMFYSA-N 0 0 510.875 4.485 1 0 KIAFRN O=C(Nc1cc(-c2cc(Cl)cc(COCC(F)(F)F)c2)n(-c2cccc(F)c2)n1)[C@@H]1CNC(=O)C1 ZINC000169707467 562870012 /nfs/dbraw/zinc/87/00/12/562870012.db2.gz MXJWFEVQHXVTFI-HNNXBMFYSA-N 0 0 510.875 4.485 1 0 KIAFRN O=C(Nc1cc(-c2cc(Cl)cc(COCC(F)(F)F)c2)n(-c2ccc(F)cc2)n1)[C@@H]1CNC(=O)C1 ZINC000169707468 562870003 /nfs/dbraw/zinc/87/00/03/562870003.db2.gz NDGICYRGNGOBHG-HNNXBMFYSA-N 0 0 510.875 4.485 1 0 KIAFRN C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707469 562870011 /nfs/dbraw/zinc/87/00/11/562870011.db2.gz NIALCPOOEXGFKI-FZKQIMNGSA-N 0 0 507.900 4.280 1 0 KIAFRN O=C(Nc1cc(-c2cc(F)cc(COCC(F)(F)F)c2)n(-c2ccc(Cl)cc2)n1)[C@H]1CNC(=O)N1 ZINC000169707473 562870010 /nfs/dbraw/zinc/87/00/10/562870010.db2.gz PMQIQFOCJLNUBQ-QGZVFWFLSA-N 0 0 511.863 4.031 1 0 KIAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707474 562870024 /nfs/dbraw/zinc/87/00/24/562870024.db2.gz OSFABSZGUJSLLW-FZKQIMNGSA-N 0 0 507.900 4.280 1 0 KIAFRN C[C@@H](OCc1cc(Cl)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707475 562870008 /nfs/dbraw/zinc/87/00/08/562870008.db2.gz PSNWXOFXLMCZPA-KZULUSFZSA-N 0 0 525.890 4.419 1 0 KIAFRN CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707478 562870026 /nfs/dbraw/zinc/87/00/26/562870026.db2.gz QAURPGIKEDPJBA-GOSISDBHSA-N 0 0 505.472 4.156 1 0 KIAFRN CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707479 562870009 /nfs/dbraw/zinc/87/00/09/562870009.db2.gz DZJVFWWNFLRIFK-GOSISDBHSA-N 0 0 523.462 4.295 1 0 KIAFRN C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H]1CCCN1C(=O)CC)ncnc2Nc1ccc(Br)cc1F ZINC000169707534 562870059 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CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cc(F)cc(F)c1 ZINC000202734004 562873876 /nfs/dbraw/zinc/87/38/76/562873876.db2.gz JWCLCNVLUDVQNM-RPBOFIJWSA-N 0 0 522.614 4.060 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(CC)c3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202734065 562873873 /nfs/dbraw/zinc/87/38/73/562873873.db2.gz XYHVVZNJOLKQLP-IZZNHLLZSA-N 0 0 561.104 4.301 1 0 KIAFRN CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(CC)c3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202734091 562873863 /nfs/dbraw/zinc/87/38/63/562873863.db2.gz XYHVVZNJOLKQLP-CLJLJLNGSA-N 0 0 561.104 4.301 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(CC)c3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202734111 562873881 /nfs/dbraw/zinc/87/38/81/562873881.db2.gz XYHVVZNJOLKQLP-UIOOFZCWSA-N 0 0 561.104 4.301 1 0 KIAFRN CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cnn(CC)c3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202734136 562873887 /nfs/dbraw/zinc/87/38/87/562873887.db2.gz XYHVVZNJOLKQLP-FTJBHMTQSA-N 0 0 561.104 4.301 1 0 KIAFRN Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)N3CCCCC3)c3ccccc23)n1CC1CCCCC1 ZINC000203531384 562873950 /nfs/dbraw/zinc/87/39/50/562873950.db2.gz WEZHZNVZIGARSJ-UHFFFAOYSA-N 0 0 518.705 4.225 1 0 KIAFRN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)[C@@H]5C4)c4ccc(Cl)cc34)cc2)c1C ZINC000203554366 562873969 /nfs/dbraw/zinc/87/39/69/562873969.db2.gz QFIIXHNSRPKHPY-LJAQVGFWSA-N 0 0 630.149 4.009 1 0 KIAFRN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN5CCN(C)C(=O)[C@H]5C4)c4ccc(Cl)cc34)cc2)c1C ZINC000203554370 562874025 /nfs/dbraw/zinc/87/40/25/562874025.db2.gz QFIIXHNSRPKHPY-GDLZYMKVSA-N 0 0 630.149 4.009 1 0 KIAFRN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(CCOC)CC4)c4ccc(C)cc34)cc2)c1C ZINC000203554568 562874019 /nfs/dbraw/zinc/87/40/19/562874019.db2.gz GOVHPJGNBJKNDQ-UHFFFAOYSA-N 0 0 584.721 4.470 1 0 KIAFRN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(C)cc34)cc2)c1C ZINC000203554792 562874011 /nfs/dbraw/zinc/87/40/11/562874011.db2.gz DHMFMXCEAPAUNZ-UHFFFAOYSA-N 0 0 540.668 4.453 1 0 KIAFRN CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CCN(C)CC4)c4ccc(OC)cc34)cc2)c1C ZINC000203554807 562874031 /nfs/dbraw/zinc/87/40/31/562874031.db2.gz OVKRIGAQMIPFNF-UHFFFAOYSA-N 0 0 556.667 4.153 1 0 KIAFRN CN1C(=N)N[C@@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc(-c3cccnc3F)cc12 ZINC000203800947 562874140 /nfs/dbraw/zinc/87/41/40/562874140.db2.gz UZEMHAMSUAYREA-SANMLTNESA-N 0 0 502.456 4.149 1 0 KIAFRN CN1C(=N)N[C@]2(CC1=O)c1cc(-c3cccnc3F)ccc1Oc1c(F)nc(-c3cccnc3F)cc12 ZINC000203800960 562874118 /nfs/dbraw/zinc/87/41/18/562874118.db2.gz UZEMHAMSUAYREA-AREMUKBSSA-N 0 0 502.456 4.149 1 0 KIAFRN COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NCC(=O)N4CCN(C)CC4)c3c2)cc(Cl)c1O ZINC000203803606 562874216 /nfs/dbraw/zinc/87/42/16/562874216.db2.gz SJULBWYZZFLEAN-UHFFFAOYSA-N 0 0 509.006 4.048 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)N[C@@H](CO)CCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c[nH]1 ZINC000203924267 562874184 /nfs/dbraw/zinc/87/41/84/562874184.db2.gz AXTHPSNPELPHOX-SZPILTCMSA-N 0 0 592.060 4.102 1 0 KIAFRN COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)C=Cc1cc(Cl)ccc1-n1cnnn1)c1nc-2c(C(=O)N(C)C)[nH]1 ZINC000203929792 562874215 /nfs/dbraw/zinc/87/42/15/562874215.db2.gz DFVVLZVJASBLEQ-SYZXBLONSA-N 0 0 633.113 4.443 1 0 KIAFRN CCc1cnc(N2CCC(N(C)c3ncnc4c(-c5ccc(S(C)(=O)=O)cc5)csc43)CC2)nc1 ZINC000204002979 562874343 /nfs/dbraw/zinc/87/43/43/562874343.db2.gz JFGWCHIYEXQLJW-UHFFFAOYSA-N 0 0 508.673 4.219 1 0 KIAFRN Cc1nc(CN(C)C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)c2)c(C)o1 ZINC000204145369 562874382 /nfs/dbraw/zinc/87/43/82/562874382.db2.gz NZWPCBSSPZOZKK-CQTOTRCISA-N 0 0 661.825 4.195 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(N)cc(C(=O)N(C)Cc3nc(C)oc3C)c2)cc1 ZINC000204163847 562874388 /nfs/dbraw/zinc/87/43/88/562874388.db2.gz CETQNMKFDTWUJQ-UZNNEEJFSA-N 0 0 691.851 4.203 1 0 KIAFRN O=C(N[C@@H]1CCc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1)c1cc(CN2CCOC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000204164084 562874386 /nfs/dbraw/zinc/87/43/86/562874386.db2.gz PVXTZQASVQOJKV-RPBOFIJWSA-N 0 0 610.633 4.258 1 0 KIAFRN O=C(N[C@@H]1CCc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1)c1cc(CN2CCOC[C@H]2CO)cc(C(F)(F)F)c1 ZINC000204164101 562874373 /nfs/dbraw/zinc/87/43/73/562874373.db2.gz PVXTZQASVQOJKV-JWQCQUIFSA-N 0 0 610.633 4.258 1 0 KIAFRN Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCCN(C5(C)COC5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204424833 562874439 /nfs/dbraw/zinc/87/44/39/562874439.db2.gz UNUBXSABRUZPKC-JOCHJYFZSA-N 0 0 528.661 4.380 1 0 KIAFRN Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCCN(C5(C)COC5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204424848 562874489 /nfs/dbraw/zinc/87/44/89/562874489.db2.gz UNUBXSABRUZPKC-QFIPXVFZSA-N 0 0 528.661 4.380 1 0 KIAFRN Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CN(C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204428031 562874455 /nfs/dbraw/zinc/87/44/55/562874455.db2.gz CFOHSRUUKVVVKK-VWLOTQADSA-N 0 0 516.650 4.273 1 0 KIAFRN Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CN(C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204428047 562874470 /nfs/dbraw/zinc/87/44/70/562874470.db2.gz CFOHSRUUKVVVKK-RUZDIDTESA-N 0 0 516.650 4.273 1 0 KIAFRN CC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000204963510 562874616 /nfs/dbraw/zinc/87/46/16/562874616.db2.gz LPZFTIBFELQWLA-UHFFFAOYSA-N 0 0 508.566 4.420 1 0 KIAFRN O=C(C1CCN(S(=O)(=O)c2ccc3n[nH]cc3c2)CC1)N(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000204965727 562874670 /nfs/dbraw/zinc/87/46/70/562874670.db2.gz ATBOWYPGBFJTCX-UHFFFAOYSA-N 0 0 506.550 4.174 1 0 KIAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(F)(F)C5)N(CCc5ccccc5)C4)cc32)ccn1 ZINC000205008597 562874711 /nfs/dbraw/zinc/87/47/11/562874711.db2.gz ZQIDUYBCXZZVPU-SQHAQQRYSA-N 0 0 558.633 4.216 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCCO1 ZINC000205011473 562874714 /nfs/dbraw/zinc/87/47/14/562874714.db2.gz BEFAQISGXZKCRR-AMGIVPHBSA-N 0 0 572.641 4.008 1 0 KIAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(F)(F)C5)N(Cc5ccccc5F)C4)cc32)ccn1 ZINC000205011657 562874707 /nfs/dbraw/zinc/87/47/07/562874707.db2.gz FMQNLRGFHWLJBB-GJZUVCINSA-N 0 0 562.596 4.313 1 0 KIAFRN COC[C@H]1CC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)CN1Cc1c(F)cccc1OC ZINC000205012208 562874740 /nfs/dbraw/zinc/87/47/40/562874740.db2.gz HWSGRGSBQYNYNU-NHCUHLMSSA-N 0 0 503.578 4.182 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CC(F)(F)C1 ZINC000205012789 562874726 /nfs/dbraw/zinc/87/47/26/562874726.db2.gz PRGDVPIZYSEHFO-RLWLMLJZSA-N 0 0 592.622 4.322 1 0 KIAFRN COCCOc1cccc(F)c1CN1CCC[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccncc4)c3c2)C1 ZINC000205014864 562874744 /nfs/dbraw/zinc/87/47/44/562874744.db2.gz ZLHMYCGFUCSLLU-OAQYLSRUSA-N 0 0 503.578 4.184 1 0 KIAFRN CN1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ccnc5c4)c3c2)C1 ZINC000205025621 562874814 /nfs/dbraw/zinc/87/48/14/562874814.db2.gz XENBJVLHVHCFBN-PXNSSMCTSA-N 0 0 500.553 4.449 1 0 KIAFRN CN1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C1 ZINC000205026526 562874777 /nfs/dbraw/zinc/87/47/77/562874777.db2.gz YCODGWZMTYESKS-MAUKXSAKSA-N 0 0 502.525 4.337 1 0 KIAFRN CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nonc5c4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000205026566 562874769 /nfs/dbraw/zinc/87/47/69/562874769.db2.gz YCODGWZMTYESKS-CRAIPNDOSA-N 0 0 502.525 4.337 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCC1CC1 ZINC000205033289 562874781 /nfs/dbraw/zinc/87/47/81/562874781.db2.gz HNKWCPXAHSXBDO-LXFBAYGMSA-N 0 0 570.669 4.370 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NC1CC1 ZINC000205033342 562874799 /nfs/dbraw/zinc/87/47/99/562874799.db2.gz XVSDSPCNIJKOHE-AMGIVPHBSA-N 0 0 556.642 4.123 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccn5ncnc5c4)c3c2)C[C@H](C)C1 ZINC000205034201 562874802 /nfs/dbraw/zinc/87/48/02/562874802.db2.gz LFWKLWZFIMYEFJ-FXAWDEMLSA-N 0 0 513.577 4.061 1 0 KIAFRN Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CC[C@@H](C(=O)N5CC(F)(F)C5)N(Cc5c(F)cccc5F)C4)cc32)ccn1 ZINC000205037248 562874820 /nfs/dbraw/zinc/87/48/20/562874820.db2.gz CNCJGFUNLAUICW-IBVKSMDESA-N 0 0 580.586 4.452 1 0 KIAFRN CCOC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccnc(C)c5)c4c3)CN2Cc2c(F)cccc2OC)CC1 ZINC000205042473 562874878 /nfs/dbraw/zinc/87/48/78/562874878.db2.gz LHELDPOQOIZVMY-RNAHPLFWSA-N 0 0 657.747 4.145 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2CCS[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21 ZINC000205048012 562874865 /nfs/dbraw/zinc/87/48/65/562874865.db2.gz YYNUIXCPCLYXNE-SFHVURJKSA-N 0 0 511.457 4.151 1 0 KIAFRN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000205048309 562874861 /nfs/dbraw/zinc/87/48/61/562874861.db2.gz FIYOPOHWJMAHOJ-YSHCPKIPSA-N 0 0 696.755 4.181 1 0 KIAFRN COCCOc1ccc2c(c1)c(NC(=O)N1C[C@](C)(F)C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000205050699 562874855 /nfs/dbraw/zinc/87/48/55/562874855.db2.gz YOADQIVYCOKJIR-HFZDXXHNSA-N 0 0 563.989 4.037 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@H]3C[C@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccc(F)cc21 ZINC000205051493 562874860 /nfs/dbraw/zinc/87/48/60/562874860.db2.gz VZKNKQFVPGQVSB-AHYKXKOGSA-N 0 0 505.428 4.239 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccc(F)cc21 ZINC000205051542 562874906 /nfs/dbraw/zinc/87/49/06/562874906.db2.gz VZKNKQFVPGQVSB-JPJOULJCSA-N 0 0 505.428 4.239 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@H]3C[C@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccccc21 ZINC000205053334 562874894 /nfs/dbraw/zinc/87/48/94/562874894.db2.gz ABCCEOMCSDAAKH-GOPGUHFVSA-N 0 0 505.428 4.239 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@H]3C[C@H]3C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2F)c2ccccc21 ZINC000205053564 562874889 /nfs/dbraw/zinc/87/48/89/562874889.db2.gz LYFNMCKFXPWRHK-AGRHKRQWSA-N 0 0 503.456 4.037 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OC(F)F)cc21 ZINC000205056246 562874917 /nfs/dbraw/zinc/87/49/17/562874917.db2.gz YOOPXIVHUHIPSC-XIKOKIGWSA-N 0 0 541.889 4.223 1 0 KIAFRN CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)[C@@H]1C(=O)N[C@H](C)c1cccc(Cl)c1F ZINC000205057266 562874918 /nfs/dbraw/zinc/87/49/18/562874918.db2.gz FWBJAEQCDAKRBC-VSMRGSDOSA-N 0 0 517.960 4.078 1 0 KIAFRN CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccccc32)[C@@H]1C(=O)N[C@@H](C)c1cccc(Cl)c1F ZINC000205057599 562874908 /nfs/dbraw/zinc/87/49/08/562874908.db2.gz FWBJAEQCDAKRBC-IXJOHECVSA-N 0 0 517.960 4.078 1 0 KIAFRN CC(C)C[C@H](NC(=O)C1CCC(=O)CC1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 ZINC000205237805 562875021 /nfs/dbraw/zinc/87/50/21/562875021.db2.gz JPXQCXGMWMHOOX-WVHZSOBGSA-N 0 0 538.710 4.382 1 0 KIAFRN O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCN[C@@H]2CCOC2=O)c1 ZINC000205286307 562875057 /nfs/dbraw/zinc/87/50/57/562875057.db2.gz DXCZVUGSWTZEKE-OAHLLOKOSA-N 0 0 504.317 4.306 1 0 KIAFRN O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCN[C@H]2CCOC2=O)c1 ZINC000205286321 562875010 /nfs/dbraw/zinc/87/50/10/562875010.db2.gz DXCZVUGSWTZEKE-HNNXBMFYSA-N 0 0 504.317 4.306 1 0 KIAFRN O=C(NCCN1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F ZINC000205316344 562875088 /nfs/dbraw/zinc/87/50/88/562875088.db2.gz CHIDBYVEZDDKHB-UHFFFAOYSA-N 0 0 527.575 4.481 1 0 KIAFRN O=C(c1ccc(F)c(F)c1)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330562 562875104 /nfs/dbraw/zinc/87/51/04/562875104.db2.gz RATIMJRFGFTEON-HHHXNRCGSA-N 0 0 620.634 4.048 1 0 KIAFRN O=C(c1ccc(F)c(F)c1)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330579 562875086 /nfs/dbraw/zinc/87/50/86/562875086.db2.gz RATIMJRFGFTEON-MHZLTWQESA-N 0 0 620.634 4.048 1 0 KIAFRN O=C(c1ccccc1Cl)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330595 562875084 /nfs/dbraw/zinc/87/50/84/562875084.db2.gz NCGFXPWRTKBQNF-HHHXNRCGSA-N 0 0 619.099 4.424 1 0 KIAFRN O=C(c1ccccc1Cl)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330614 562875094 /nfs/dbraw/zinc/87/50/94/562875094.db2.gz NCGFXPWRTKBQNF-MHZLTWQESA-N 0 0 619.099 4.424 1 0 KIAFRN O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330636 562875092 /nfs/dbraw/zinc/87/50/92/562875092.db2.gz OXKFYSFSYLMELQ-HHHXNRCGSA-N 0 0 619.099 4.424 1 0 KIAFRN O=C(c1cccc(Cl)c1)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330651 562875101 /nfs/dbraw/zinc/87/51/01/562875101.db2.gz OXKFYSFSYLMELQ-MHZLTWQESA-N 0 0 619.099 4.424 1 0 KIAFRN O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)NC(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330674 562875082 /nfs/dbraw/zinc/87/50/82/562875082.db2.gz OEWRJWKZFZBLDB-HHHXNRCGSA-N 0 0 619.099 4.424 1 0 KIAFRN O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)NC(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000205330692 562875083 /nfs/dbraw/zinc/87/50/83/562875083.db2.gz 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O=C(/C=C/c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000215283135 562877307 /nfs/dbraw/zinc/87/73/07/562877307.db2.gz PCKLBGBPIIKUCN-BJMVGYQFSA-N 0 0 503.340 4.014 1 0 KIAFRN CS(=O)(=O)[N-]C(=O)c1cc(C2CC2)c(OCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216268883 562877461 /nfs/dbraw/zinc/87/74/61/562877461.db2.gz KSBYUWHBUZLDDL-UHFFFAOYSA-N 0 0 508.615 4.493 1 0 KIAFRN O=C([N-]S(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216269309 562877479 /nfs/dbraw/zinc/87/74/79/562877479.db2.gz CRWKXSGBXRAXSR-UHFFFAOYSA-N 0 0 549.668 4.484 1 0 KIAFRN COc1cc(C[N@H+](C[C@@H]2CC[C@H](C(=O)[O-])C2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000217398785 562877562 /nfs/dbraw/zinc/87/75/62/562877562.db2.gz MHGGANHEFSULJO-OTPAQWSUSA-N 0 0 550.652 4.222 1 0 KIAFRN COc1cc(C[N@H+](C[C@@H]2CC[C@@H](C(=O)[O-])C2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000218625481 562877902 /nfs/dbraw/zinc/87/79/02/562877902.db2.gz MHGGANHEFSULJO-DNRQZRRGSA-N 0 0 550.652 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CC(C)(O)CCCOc1cc2c(c(-c3cnn(C(C)(C)C(N)=O)c3)c1)-c1ccccc1[C@]2(O)C(F)(F)F ZINC000221392034 562878985 /nfs/dbraw/zinc/87/89/85/562878985.db2.gz YDLPFGWWTYFQLG-AREMUKBSSA-N 0 0 517.548 4.479 1 0 KIAFRN O=S(=O)(c1ccccc1OC(F)(F)F)N1Cc2cncnc2-n2ccnc2[C@H]1Cc1ccccc1 ZINC000221682896 562879142 /nfs/dbraw/zinc/87/91/42/562879142.db2.gz IUAYRWIBLSPBDT-GOSISDBHSA-N 0 0 501.490 4.049 1 0 KIAFRN CN1CCN(C(=O)c2ccc(/C=C3\C(=O)Nc4ccc(-c5csc(-c6ccccc6)n5)cc43)[nH]c2=O)CC1 ZINC000221772410 562879228 /nfs/dbraw/zinc/87/92/28/562879228.db2.gz VWCQLHXNUPMPAA-KQWNVCNZSA-N 0 0 523.618 4.046 1 0 KIAFRN O=C(NC[C@H](O)CO)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1 ZINC000221917557 562879335 /nfs/dbraw/zinc/87/93/35/562879335.db2.gz KYHLZTDXNPEEPH-SFHVURJKSA-N 0 0 517.384 4.476 1 0 KIAFRN O=C(NC[C@@H](O)CO)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1 ZINC000221917612 562879316 /nfs/dbraw/zinc/87/93/16/562879316.db2.gz KYHLZTDXNPEEPH-GOSISDBHSA-N 0 0 517.384 4.476 1 0 KIAFRN NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc54)cc(=O)n32)cc1 ZINC000221947239 562879364 /nfs/dbraw/zinc/87/93/64/562879364.db2.gz OAQDHISGNMVVBL-DEOSSOPVSA-N 0 0 531.659 4.403 1 0 KIAFRN CN(c1nc2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnn2c(NCC2CCOCC2)n1)C1CCCCC1 ZINC000221953357 562879412 /nfs/dbraw/zinc/87/94/12/562879412.db2.gz SRKBABCQKXGMIB-UHFFFAOYSA-N 0 0 521.641 4.430 1 0 KIAFRN Cn1c2nc(Nc3ccc(OCCN4CCOCC4)cc3)nc(N)c2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000221977994 562879426 /nfs/dbraw/zinc/87/94/26/562879426.db2.gz MDUBLSIVMWTAMR-UHFFFAOYSA-N 0 0 541.439 4.339 1 0 KIAFRN Cn1c2nc(Nc3ccc(NCCN4CCOCC4)cc3)nc(N)c2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000221978067 562879502 /nfs/dbraw/zinc/87/95/02/562879502.db2.gz MBHCJIOEWNVDOP-UHFFFAOYSA-N 0 0 540.455 4.372 1 0 KIAFRN Cc1cc(=O)oc2c1ccc1c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H](C)[S@@]1=O ZINC000222360543 562879765 /nfs/dbraw/zinc/87/97/65/562879765.db2.gz JDKBTQISQGHREJ-BQNYLGQPSA-N 0 0 654.734 4.351 1 0 KIAFRN COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222508571 562879821 /nfs/dbraw/zinc/87/98/21/562879821.db2.gz WVRQVQYNLHTOMY-HVUDISSPSA-N 0 0 645.826 4.351 1 0 KIAFRN COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222508628 562879827 /nfs/dbraw/zinc/87/98/27/562879827.db2.gz WVRQVQYNLHTOMY-JFQDDBJESA-N 0 0 645.826 4.351 1 0 KIAFRN COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222508698 562879885 /nfs/dbraw/zinc/87/98/85/562879885.db2.gz WVRQVQYNLHTOMY-JNOWVLHESA-N 0 0 645.826 4.351 1 0 KIAFRN COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000222508754 562879870 /nfs/dbraw/zinc/87/98/70/562879870.db2.gz WVRQVQYNLHTOMY-KGBHHPJOSA-N 0 0 645.826 4.351 1 0 KIAFRN COC(=O)N[C@H](C(=O)Nc1cnccc1CC[C@@H]1C[NH2+][C@H](COC(=O)NCC(F)(F)F)CO1)C(c1ccccc1)c1ccccc1 ZINC000222611956 562879855 /nfs/dbraw/zinc/87/98/55/562879855.db2.gz ZVILYGXWAYKXKZ-OARDWFSCSA-N 0 0 643.663 4.155 1 0 KIAFRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)C1 ZINC000222861456 562879933 /nfs/dbraw/zinc/87/99/33/562879933.db2.gz ULIOLVYOMKEONX-WRTQPQOASA-N 0 0 530.463 4.342 1 0 KIAFRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)C1 ZINC000222861519 562879938 /nfs/dbraw/zinc/87/99/38/562879938.db2.gz ULIOLVYOMKEONX-FDKIHUSFSA-N 0 0 530.463 4.342 1 0 KIAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(C5(O)CCOCC5)n4)o3)nc2s1 ZINC000223064159 562880096 /nfs/dbraw/zinc/88/00/96/562880096.db2.gz PLEBOGMLJSDEDW-UHFFFAOYSA-N 0 0 508.556 4.193 1 0 KIAFRN [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCCc1ccc(O)cc1 ZINC000223373538 562880127 /nfs/dbraw/zinc/88/01/27/562880127.db2.gz FAUNWXMMLVVCKI-JDXGNMNLSA-N 0 0 581.669 4.338 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1 ZINC000223704385 562880174 /nfs/dbraw/zinc/88/01/74/562880174.db2.gz ZDGBHYYLEBRVFM-UHFFFAOYSA-N 0 0 621.789 4.028 1 0 KIAFRN CN(C)[C@H](Cc1ccccc1)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](Cc3ccccc3)N(C)C)s2)s1 ZINC000223710310 562880151 /nfs/dbraw/zinc/88/01/51/562880151.db2.gz YVPOBLWJFXTOIR-DNQXCXABSA-N 0 0 606.822 4.178 1 0 KIAFRN C[C@@](O)(C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(F)(F)F ZINC000223711647 562880150 /nfs/dbraw/zinc/88/01/50/562880150.db2.gz XMMGDEJBFVOKEG-SSEXGKCCSA-N 0 0 655.703 4.185 1 0 KIAFRN CC[C@](O)(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@](O)(CC)c3ccccc3)s2)s1)c1ccccc1 ZINC000223712720 562880157 /nfs/dbraw/zinc/88/01/57/562880157.db2.gz OLJCRCQTPILEMB-VSGBNLITSA-N 0 0 580.736 4.428 1 0 KIAFRN CC[C@](O)(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@](O)(CC)c3ccccc3)s2)s1)c1ccccc1 ZINC000223717597 562880158 /nfs/dbraw/zinc/88/01/58/562880158.db2.gz ZJWPMPSMNNBBRN-VSGBNLITSA-N 0 0 612.803 4.381 1 0 KIAFRN O=C(CN1C(=O)OC[C@H]1c1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)CN3C(=O)OC[C@H]3c3ccccc3)s2)s1 ZINC000223718605 562880192 /nfs/dbraw/zinc/88/01/92/562880192.db2.gz PUXYCTYQCRUGON-VXKWHMMOSA-N 0 0 694.821 4.172 1 0 KIAFRN Nc1n[nH]c2cc(-c3c[nH]c([C@H](Cc4ccccc4)NC(=O)C=Cc4cc(Cl)ccc4-n4cnnn4)n3)ccc12 ZINC000223776652 562880202 /nfs/dbraw/zinc/88/02/02/562880202.db2.gz SSIRUUYXDLDNRC-BVRWQAIYSA-N 0 0 551.014 4.278 1 0 in-vitro KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCN(C(=O)OC2CCOCC2)CC1 ZINC000223865372 562880193 /nfs/dbraw/zinc/88/01/93/562880193.db2.gz DBFCSAROVUZVHI-SYBRLPANSA-N 0 0 713.811 4.304 1 0 KIAFRN O=C([O-])c1ccc(NC(=O)[C@@H]2c3cccc(OC4CC[NH2+]CC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1 ZINC000223901163 562880194 /nfs/dbraw/zinc/88/01/94/562880194.db2.gz CQDHUQRZKZXZHD-GHGCAVAYSA-N 0 0 646.079 4.062 1 0 KIAFRN O=C([O-])c1ccc(NC(=O)[C@H]2c3cccc(OC4CC[NH2+]CC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1 ZINC000223901211 562880206 /nfs/dbraw/zinc/88/02/06/562880206.db2.gz CQDHUQRZKZXZHD-AGLOJYHOSA-N 0 0 646.079 4.062 1 0 KIAFRN COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)NCCNC(=O)OC(C)(C)C ZINC000224007141 562880205 /nfs/dbraw/zinc/88/02/05/562880205.db2.gz WCMCDTJEOHLUSY-GIGWZHCTSA-N 0 0 659.763 4.485 1 0 KIAFRN COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224109937 562880349 /nfs/dbraw/zinc/88/03/49/562880349.db2.gz BQVXYVMHLPJQST-HSZRJFAPSA-N 0 0 535.004 4.213 1 0 KIAFRN COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)cn(C)c2=O)C3=O)c(OC)n1 ZINC000224109989 562880354 /nfs/dbraw/zinc/88/03/54/562880354.db2.gz BQVXYVMHLPJQST-QHCPKHFHSA-N 0 0 535.004 4.213 1 0 KIAFRN CCOc1cc(-c2ccc(CC(=O)Nc3ccc(OCCO)c(C(F)(F)F)c3)c(F)c2F)c[nH]c1=O ZINC000224269544 562880454 /nfs/dbraw/zinc/88/04/54/562880454.db2.gz DBAIOFPQXZMYCC-UHFFFAOYSA-N 0 0 512.431 4.290 1 0 KIAFRN CCNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC3(CC1)OCc1ccccc13)c2Nc1cc(C)ccc1Cl ZINC000224707217 562880523 /nfs/dbraw/zinc/88/05/23/562880523.db2.gz WOZOGUFZNBCULQ-UHFFFAOYSA-N 0 0 581.098 4.395 1 0 KIAFRN Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)CCCn3c4ccccc4[nH]c3=O)cc2F)cn1 ZINC000224712932 562880521 /nfs/dbraw/zinc/88/05/21/562880521.db2.gz NYTMWZKEKREDKG-UHFFFAOYSA-N 0 0 503.559 4.039 1 0 KIAFRN Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)CCCS(=O)(=O)C3CCCCC3)cc2F)cn1 ZINC000224794745 562880595 /nfs/dbraw/zinc/88/05/95/562880595.db2.gz YXNMJBDUYCWRQC-UHFFFAOYSA-N 0 0 517.648 4.443 1 0 KIAFRN COc1cc(C[N@H+](CC2(C(=O)[O-])CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000224843177 562880541 /nfs/dbraw/zinc/88/05/41/562880541.db2.gz YYBPXTVSPGWNOX-JOCHJYFZSA-N 0 0 527.017 4.231 1 0 KIAFRN COc1cc(C[N@H+](CC2(C(=O)[O-])CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000224843232 562880599 /nfs/dbraw/zinc/88/05/99/562880599.db2.gz 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520.538 4.450 1 0 KIAFRN O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C(F)=C\c3cc(F)ccc3F)(CC1)CO2 ZINC000299851702 562890803 /nfs/dbraw/zinc/89/08/03/562890803.db2.gz ITUYQNSGGILQKB-PAPKUOGWSA-N 0 0 515.507 4.087 1 0 KIAFRN O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C(F)=C/c3cc(F)ccc3F)(CC1)CO2 ZINC000299851703 562890791 /nfs/dbraw/zinc/89/07/91/562890791.db2.gz ITUYQNSGGILQKB-YQSCFIOISA-N 0 0 515.507 4.087 1 0 KIAFRN O=C(Cn1cc(CN(c2nc3ccccc3s2)c2ncccn2)nn1)NCc1ccc(OC(F)(F)F)cc1 ZINC000299854646 562891431 /nfs/dbraw/zinc/89/14/31/562891431.db2.gz AFAXDSBSWQIXIQ-UHFFFAOYSA-N 0 0 540.531 4.231 1 0 KIAFRN COC(=O)C1CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2COc2ccc(F)cc2)CC1 ZINC000299854675 562891424 /nfs/dbraw/zinc/89/14/24/562891424.db2.gz AGCVFRJXTWWEKP-KBJONWADSA-N 0 0 790.978 4.351 1 0 KIAFRN COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4N4CCOCC4)nn3)C2)cc(OC)c1OC ZINC000299854732 562891482 /nfs/dbraw/zinc/89/14/82/562891482.db2.gz ALRLALNMRAXIMP-MUUNZHRXSA-N 0 0 614.703 4.269 1 0 KIAFRN COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4N4CCOCC4)nn3)C2)cc(OC)c1OC ZINC000299854736 562891484 /nfs/dbraw/zinc/89/14/84/562891484.db2.gz ALRLALNMRAXIMP-NDEPHWFRSA-N 0 0 614.703 4.269 1 0 KIAFRN CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N(C(C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)O2 ZINC000299855248 562891616 /nfs/dbraw/zinc/89/16/16/562891616.db2.gz AUKAWGLBWIYDHI-KOSHJBKYSA-N 0 0 551.109 4.438 1 0 KIAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O ZINC000299855321 562891607 /nfs/dbraw/zinc/89/16/07/562891607.db2.gz AXDPFPZUTDRTAU-FRPAHBMMSA-N 0 0 572.534 4.449 1 0 KIAFRN CC1(C)NC(=O)N(c2ccc(Cl)c(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)c2)C1=O ZINC000299855385 562891665 /nfs/dbraw/zinc/89/16/65/562891665.db2.gz DUMBVTPKVSZOCF-HXUWFJFHSA-N 0 0 523.977 4.357 1 0 KIAFRN Cc1ccc(C(=O)CN2C(=O)COc3cc(C)c(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc32)cc1 ZINC000299855446 562891642 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562891842 /nfs/dbraw/zinc/89/18/42/562891842.db2.gz IGJWPRADFYIFEG-UHFFFAOYSA-N 0 0 533.027 4.391 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(OC)cc3)ccc21 ZINC000299856950 562892036 /nfs/dbraw/zinc/89/20/36/562892036.db2.gz DIDZBBLRDSTKCE-UHFFFAOYSA-N 0 0 532.576 4.222 1 0 KIAFRN CCOC(=O)/C=C/Sc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CC(OC)OC ZINC000299857140 562892091 /nfs/dbraw/zinc/89/20/91/562892091.db2.gz CQGOMTMYTOAMCP-ACCUITESSA-N 0 0 514.579 4.497 1 0 KIAFRN Cc1cccc([C@H](C(N)=O)[C@@H](CCC(F)(F)F)C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 ZINC000299857160 562892078 /nfs/dbraw/zinc/89/20/78/562892078.db2.gz CRNVUALZNXEPSA-RWCIVJTCSA-N 0 0 550.581 4.479 1 0 KIAFRN CC(=O)N1CCC(C(=O)N(CCCN2CCN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299858683 562892522 /nfs/dbraw/zinc/89/25/22/562892522.db2.gz SLYIYGVSFHAPKU-JOCHJYFZSA-N 0 0 593.165 4.164 1 0 KIAFRN CC(=O)N1CCC(C(=O)N(CCCN2CCN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 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COc1ccc(C(=O)CN2C(=O)COc3cc(C)c(S(=O)(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc32)cc1 ZINC000299860695 562892977 /nfs/dbraw/zinc/89/29/77/562892977.db2.gz JPQPNHYUWMOFEF-UHFFFAOYSA-N 0 0 603.619 4.142 1 0 KIAFRN Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cc3)CC1)N(CC(=O)c1ccccc1)C(=O)CO2 ZINC000299860908 562893049 /nfs/dbraw/zinc/89/30/49/562893049.db2.gz JWSQEZPWCZEAOL-UHFFFAOYSA-N 0 0 573.593 4.133 1 0 KIAFRN CCOC(=O)[C@]1(NC(=O)NCCNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1(C)C ZINC000299861444 562893320 /nfs/dbraw/zinc/89/33/20/562893320.db2.gz IFWLNILYNKDWIM-AREMUKBSSA-N 0 0 509.713 4.366 1 0 KIAFRN CCOC(=O)[C@@]1(NC(=O)NCCNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1(C)C ZINC000299861446 562893291 /nfs/dbraw/zinc/89/32/91/562893291.db2.gz IFWLNILYNKDWIM-SANMLTNESA-N 0 0 509.713 4.366 1 0 KIAFRN Cc1ccccc1N(CCC(=O)[O-])C(=O)c1ccc2c(c1)nc(CNc1ccc(C(N)=[NH2+])cc1F)n2C ZINC000299861853 562893413 /nfs/dbraw/zinc/89/34/13/562893413.db2.gz MADJUFXLRYLAOT-UHFFFAOYSA-N 0 0 502.550 4.038 1 0 KIAFRN CCS(=O)(=O)N1N=C(c2ccc(OC)c3c2OC(C)(C)C=C3)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299862190 562893545 /nfs/dbraw/zinc/89/35/45/562893545.db2.gz MPXKRMYDFZMICA-FQEVSTJZSA-N 0 0 516.616 4.406 1 0 KIAFRN CCS(=O)(=O)N1N=C(c2ccc(OC)c3c2OC(C)(C)C=C3)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299862192 562893525 /nfs/dbraw/zinc/89/35/25/562893525.db2.gz MPXKRMYDFZMICA-HXUWFJFHSA-N 0 0 516.616 4.406 1 0 KIAFRN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2[nH]nc(-c3ccc(N4C[C@H]5CC[C@@H](C4)O5)cc3)c2c1 ZINC000299862523 562893621 /nfs/dbraw/zinc/89/36/21/562893621.db2.gz NFYUYUYGKIFATR-WMPKNSHKSA-N 0 0 529.685 4.362 1 0 KIAFRN COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3c(F)c(F)c(F)c(F)c3F)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000299862866 562893707 /nfs/dbraw/zinc/89/37/07/562893707.db2.gz KEMVZEAHBYFFKF-HPXFVTLASA-N 0 0 626.575 4.127 1 0 KIAFRN COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3c(F)c(F)c(F)c(F)c3F)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000299862867 562893717 /nfs/dbraw/zinc/89/37/17/562893717.db2.gz 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562898070 /nfs/dbraw/zinc/89/80/70/562898070.db2.gz HJOAVUHTQSUCDC-UHFFFAOYSA-N 0 0 500.937 4.147 1 0 KIAFRN COc1cccc(CN2CCc3cc4c(c(OC)c3[C@@H]2[C@H]2OC(=O)c3c2ccc(OC)c3OC)OCO4)c1 ZINC000473100569 562898056 /nfs/dbraw/zinc/89/80/56/562898056.db2.gz IEKGPPBOAHSJTB-RPBOFIJWSA-N 0 0 519.550 4.461 1 0 KIAFRN C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(F)c(N4CCC(O)CC4)c(F)c3)ncc2Cl)c1 ZINC000473102922 562898120 /nfs/dbraw/zinc/89/81/20/562898120.db2.gz LRSKAYPUPDZCHJ-UHFFFAOYSA-N 0 0 514.964 4.271 1 0 KIAFRN COc1ccc(CN2CCc3cc4c(c(OC)c3[C@@H]2[C@H]2OC(=O)c3c2ccc(OC)c3OC)OCO4)cc1 ZINC000473102938 562898126 /nfs/dbraw/zinc/89/81/26/562898126.db2.gz LWGYEZNQTVVMBL-RPBOFIJWSA-N 0 0 519.550 4.461 1 0 KIAFRN C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(F)c(N4CCOCC4)cc3F)ncc2Cl)c1 ZINC000473104916 562898188 /nfs/dbraw/zinc/89/81/88/562898188.db2.gz PWFFZOZZKRXKPA-UHFFFAOYSA-N 0 0 500.937 4.147 1 0 KIAFRN C=CC(=O)Nc1cccc(CNc2nc(Nc3cc(F)c(N4CCN(C)CC4)cc3F)ncc2Cl)c1 ZINC000473105035 562898186 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CFCKNUOZCOKYOO-LNKRZSTPSA-N 0 0 558.631 4.401 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3ccccc3OC)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1 ZINC000473134087 562900482 /nfs/dbraw/zinc/90/04/82/562900482.db2.gz DYKNBXYHJJPUKB-JEHIEQBDSA-N 0 0 668.809 4.477 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cc(OC)cc(OC)c3)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1 ZINC000473134110 562900489 /nfs/dbraw/zinc/90/04/89/562900489.db2.gz FPZLJQQCMTWZII-PYWJFMQWSA-N 0 0 698.835 4.486 1 0 KIAFRN CC(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3ON1C(=O)CCC1=O ZINC000473134425 562900533 /nfs/dbraw/zinc/90/05/33/562900533.db2.gz CEBQOGCIDLLPPG-LPWRDBNFSA-N 0 0 633.694 4.432 1 0 KIAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCc2cnnn2CCCOC(=O)[C@@]2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O ZINC000473134426 562900560 /nfs/dbraw/zinc/90/05/60/562900560.db2.gz CECUNZDQMSGENY-WREBQCIMSA-N 0 0 691.734 4.496 1 0 KIAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCc2cnnn2CCCOC(=O)[C@]2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)cc1OC(C)=O ZINC000473134427 562900545 /nfs/dbraw/zinc/90/05/45/562900545.db2.gz CECUNZDQMSGENY-XDKVVPDFSA-N 0 0 691.734 4.496 1 0 KIAFRN COc1cc(N2CCC(Nc3ncc4c(n3)N(c3ccccc3OC(F)(F)F)CCO4)CC2)ccn1 ZINC000473134460 562900547 /nfs/dbraw/zinc/90/05/47/562900547.db2.gz COUFGTNLBNJCIM-UHFFFAOYSA-N 0 0 502.497 4.390 1 0 KIAFRN CCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC(C)C)C4=O)ON1C ZINC000473134898 562900609 /nfs/dbraw/zinc/90/06/09/562900609.db2.gz JLEIAGCBUKISFD-LEWJYISDSA-N 0 0 517.519 4.258 1 0 KIAFRN CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC(C)C)C4=O)ON1C ZINC000473134901 562900613 /nfs/dbraw/zinc/90/06/13/562900613.db2.gz JLEIAGCBUKISFD-NHCUHLMSSA-N 0 0 517.519 4.258 1 0 KIAFRN O=C(OCc1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc(N3CCCNC3=O)c21 ZINC000473134926 562900594 /nfs/dbraw/zinc/90/05/94/562900594.db2.gz JSXQEOJSLGGGSN-UHFFFAOYSA-N 0 0 542.564 4.385 1 0 KIAFRN C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2Oc2ccccc2)nc1)C(F)(F)F ZINC000473135036 562900643 /nfs/dbraw/zinc/90/06/43/562900643.db2.gz DYWYMKBMDCNOKW-HSZRJFAPSA-N 0 0 516.501 4.346 1 0 KIAFRN C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2Oc2ccccc2)nc1)C(F)(F)F ZINC000473135038 562900638 /nfs/dbraw/zinc/90/06/38/562900638.db2.gz DYWYMKBMDCNOKW-QHCPKHFHSA-N 0 0 516.501 4.346 1 0 KIAFRN CC1=CC[C@@H](OC(=O)c2ccccc2)[C@H]2[C@@]3(C)CC[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3cccnc3)[C@@]12C ZINC000473135113 562900618 /nfs/dbraw/zinc/90/06/18/562900618.db2.gz LHDUPMAARYESGH-AYSHPHNKSA-N 0 0 575.658 4.441 1 0 KIAFRN CC(=O)O[C@@H](CC1COC(=O)C1=O)[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@]1(C)O ZINC000473135131 562900632 /nfs/dbraw/zinc/90/06/32/562900632.db2.gz LOVZWLNTNWLURP-JMABQBMDSA-N 0 0 634.682 4.052 1 0 KIAFRN [NH3+]CCCC[C@@H]1N=C(c2cccc3ccccc32)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135165 562900626 /nfs/dbraw/zinc/90/06/26/562900626.db2.gz GGSFNDIYTHKJAY-DEOSSOPVSA-N 0 0 510.594 4.496 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3cccc(OC)c3)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1 ZINC000473135416 562900708 /nfs/dbraw/zinc/90/07/08/562900708.db2.gz PBBYUPMNWXOFEB-GYLADCCPSA-N 0 0 668.809 4.477 1 0 KIAFRN CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 ZINC000473135466 562900738 /nfs/dbraw/zinc/90/07/38/562900738.db2.gz QEJIJSKOYQRYLB-JOCHJYFZSA-N 0 0 527.581 4.266 1 0 KIAFRN CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCO4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 ZINC000473135467 562900727 /nfs/dbraw/zinc/90/07/27/562900727.db2.gz QEJIJSKOYQRYLB-QFIPXVFZSA-N 0 0 527.581 4.266 1 0 KIAFRN C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2NC2CCCCC2)nc1)C(F)(F)F ZINC000473135785 562900862 /nfs/dbraw/zinc/90/08/62/562900862.db2.gz KYAOTPJIJKJOOX-HSZRJFAPSA-N 0 0 521.565 4.298 1 0 KIAFRN C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2NC2CCCCC2)nc1)C(F)(F)F ZINC000473135786 562900863 /nfs/dbraw/zinc/90/08/63/562900863.db2.gz KYAOTPJIJKJOOX-QHCPKHFHSA-N 0 0 521.565 4.298 1 0 KIAFRN C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2Nc2ccccc2)nc1)C(F)(F)F ZINC000473135816 562900879 /nfs/dbraw/zinc/90/08/79/562900879.db2.gz LJCXNEAHAINFGA-HSZRJFAPSA-N 0 0 515.517 4.297 1 0 KIAFRN CC(=O)N1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2 ZINC000473135879 562900867 /nfs/dbraw/zinc/90/08/67/562900867.db2.gz UZJCBPUZLIMFRR-VJGNERBWSA-N 0 0 566.658 4.365 1 0 KIAFRN O=C(OCc1ccccc1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc(N3CCOC3=O)c21 ZINC000473135883 562900856 /nfs/dbraw/zinc/90/08/56/562900856.db2.gz UZYLWMCSFNOPSP-UHFFFAOYSA-N 0 0 529.521 4.422 1 0 KIAFRN CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 ZINC000473135894 562900861 /nfs/dbraw/zinc/90/08/61/562900861.db2.gz VKOVVORYWOMNDQ-DEOSSOPVSA-N 0 0 525.609 4.472 1 0 KIAFRN CCCn1cc(-c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 ZINC000473135895 562900876 /nfs/dbraw/zinc/90/08/76/562900876.db2.gz VKOVVORYWOMNDQ-XMMPIXPASA-N 0 0 525.609 4.472 1 0 KIAFRN CCCN1C(=O)c2cccc3cc(NC(=O)[C@@H]4C[C@@H](P(=O)(OCC)OCC)N(C)O4)cc(c32)C1=O ZINC000473135917 562900873 /nfs/dbraw/zinc/90/08/73/562900873.db2.gz VYSJOZKHKRQNDA-VQTJNVASSA-N 0 0 503.492 4.012 1 0 KIAFRN CCCN1C(=O)c2cccc3cc(NC(=O)[C@H]4C[C@@H](P(=O)(OCC)OCC)N(C)O4)cc(c32)C1=O ZINC000473135918 562900874 /nfs/dbraw/zinc/90/08/74/562900874.db2.gz VYSJOZKHKRQNDA-WOJBJXKFSA-N 0 0 503.492 4.012 1 0 KIAFRN CCCCN1C(=O)c2cccc3cc(NC(=O)[C@@H]4C[C@@H](P(=O)(OCC)OCC)N(C)O4)cc(c32)C1=O ZINC000473135938 562900891 /nfs/dbraw/zinc/90/08/91/562900891.db2.gz WTABZHZBNZJQOM-LEWJYISDSA-N 0 0 517.519 4.402 1 0 KIAFRN CCCCN1C(=O)c2cccc3cc(NC(=O)[C@H]4C[C@@H](P(=O)(OCC)OCC)N(C)O4)cc(c32)C1=O ZINC000473135939 562900886 /nfs/dbraw/zinc/90/08/86/562900886.db2.gz WTABZHZBNZJQOM-NHCUHLMSSA-N 0 0 517.519 4.402 1 0 KIAFRN [NH3+]CCCC[C@@H]1N=C(c2ccc3ccccc3c2)c2[nH]c(C(=O)[O-])cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135952 562900885 /nfs/dbraw/zinc/90/08/85/562900885.db2.gz LOTRUMFHUNAAMG-DEOSSOPVSA-N 0 0 510.594 4.496 1 0 KIAFRN CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)O[C@@]3(COC(=O)C3)CC[C@]2(C)[C@@H]2[C@H](OC(=O)c3ccccc3)CC=C(C)[C@]12C ZINC000473136139 562900943 /nfs/dbraw/zinc/90/09/43/562900943.db2.gz XYYMUFSAXSAILU-AFRKGCSPSA-N 0 0 554.636 4.323 1 0 KIAFRN C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2NCc2ccccc2)nc1)C(F)(F)F ZINC000473136143 562900958 /nfs/dbraw/zinc/90/09/58/562900958.db2.gz NINQGEYFRYPZAJ-DEOSSOPVSA-N 0 0 529.544 4.166 1 0 KIAFRN C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2NCc2ccccc2)nc1)C(F)(F)F ZINC000473136147 562900937 /nfs/dbraw/zinc/90/09/37/562900937.db2.gz NINQGEYFRYPZAJ-XMMPIXPASA-N 0 0 529.544 4.166 1 0 KIAFRN COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2cccc(-c3c(OC)cccc3OC)c2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1 ZINC000473136250 562900974 /nfs/dbraw/zinc/90/09/74/562900974.db2.gz ZWWKQQNPRMZWPK-DPTDKKPSSA-N 0 0 698.835 4.486 1 0 KIAFRN O=C([O-])[C@H](Cc1c[nH]c2ccc(OCCCCC3CC[NH2+]CC3)cc12)NS(=O)(=O)c1ccc(Br)cc1 ZINC000473136456 562901067 /nfs/dbraw/zinc/90/10/67/562901067.db2.gz RRSOBNJBBPCTPP-VWLOTQADSA-N 0 0 578.529 4.453 1 0 KIAFRN CNC(=O)c1ccc(-c2ccccc2NS(C)(=O)=O)cc1O[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000473137315 562901160 /nfs/dbraw/zinc/90/11/60/562901160.db2.gz XXWLXXJNVPJRMR-MRXNPFEDSA-N 0 0 534.059 4.093 1 0 KIAFRN CNC(=O)c1ccc(-c2ccccc2NS(C)(=O)=O)cc1O[C@H]1CCN(C(=O)c2ccc(Br)s2)C1 ZINC000473137610 562901171 /nfs/dbraw/zinc/90/11/71/562901171.db2.gz YDBFEELXWGATBW-INIZCTEOSA-N 0 0 578.510 4.202 1 0 KIAFRN CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000473137620 562901209 /nfs/dbraw/zinc/90/12/09/562901209.db2.gz YHBUJUQRTOTCGO-CMPUJJQDSA-N 0 0 880.954 4.055 1 0 KIAFRN COc1ccc(C(=O)OCCN2CCOCC2)cc1NC(=O)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F ZINC000473144211 562901251 /nfs/dbraw/zinc/90/12/51/562901251.db2.gz AEBKHNHQSDFCMF-UHFFFAOYSA-N 0 0 561.517 4.184 1 0 KIAFRN COC(=O)[C@@H]1N2C(=O)C(Br)(Br)[C@H]2S[C@@]1(C)CSc1nc2ccccc2s1 ZINC000473145049 562901288 /nfs/dbraw/zinc/90/12/88/562901288.db2.gz HUWQBSMARTZIHI-ZBINZKHDSA-N 0 0 538.308 4.090 1 0 KIAFRN COC(=O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)OC)cc3)cc2)N(Cc2ccccc2)C1=O ZINC000473145858 562901345 /nfs/dbraw/zinc/90/13/45/562901345.db2.gz BPTKHXBWFFILDQ-PCLIKHOPSA-N 0 0 514.534 4.031 1 0 KIAFRN Cc1c(Nc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC000473145969 562901335 /nfs/dbraw/zinc/90/13/35/562901335.db2.gz BYYUQXQZCAHDIN-SJPCQFCGSA-N 0 0 539.054 4.131 1 0 KIAFRN CCOC(=O)CN(c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc21)S(=O)(=O)c1ccc(OC)cc1 ZINC000473146759 562901377 /nfs/dbraw/zinc/90/13/77/562901377.db2.gz DDNHMWFOTGZHOR-UHFFFAOYSA-N 0 0 584.672 4.416 1 0 KIAFRN CC(C)Oc1ccc(C(=O)CN2CCOCC2)cc1-n1c(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc2c1=O ZINC000473150815 562901606 /nfs/dbraw/zinc/90/16/06/562901606.db2.gz MSKOGRDYDARNDW-UHFFFAOYSA-N 0 0 674.198 4.064 1 0 KIAFRN COC(=O)COc1ccc(/C=C2\C(=O)N(Cc3ccc(C(=O)OC)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000473151210 562901619 /nfs/dbraw/zinc/90/16/19/562901619.db2.gz ODMNODNPPCZWGZ-PCLIKHOPSA-N 0 0 514.534 4.031 1 0 KIAFRN COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O)C(C)C ZINC000473153059 562901928 /nfs/dbraw/zinc/90/19/28/562901928.db2.gz XUDJTPJKGXXTLA-QKDODKLFSA-N 0 0 562.066 4.395 1 0 KIAFRN CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153279 562901940 /nfs/dbraw/zinc/90/19/40/562901940.db2.gz ZSQLELBLIVXCDC-HSZRJFAPSA-N 0 0 556.704 4.292 1 0 KIAFRN O=C(Nc1ccc(Br)cc1)c1c(=O)oc(-c2ccc(Br)cc2)cc1NCCO ZINC000473153388 562901981 /nfs/dbraw/zinc/90/19/81/562901981.db2.gz BFUGARZNUYQKGW-UHFFFAOYSA-N 0 0 508.166 4.488 1 0 KIAFRN COC(=O)CN(c1ccc(CN(c2ccc(CN(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000473153690 562902055 /nfs/dbraw/zinc/90/20/55/562902055.db2.gz CIQRELPLISBNEY-UHFFFAOYSA-N 0 0 713.900 4.432 1 0 KIAFRN O=C1N[C@@](O)(CCn2cnc3cncc(Br)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154469 562902163 /nfs/dbraw/zinc/90/21/63/562902163.db2.gz HVAJXRDQQSXTDN-AREMUKBSSA-N 0 0 535.398 4.048 1 0 KIAFRN O=C1N[C@](O)(CCn2cnc3cncc(Br)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154470 562902153 /nfs/dbraw/zinc/90/21/53/562902153.db2.gz HVAJXRDQQSXTDN-SANMLTNESA-N 0 0 535.398 4.048 1 0 KIAFRN CCOC(=O)CN(c1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccc(OC)cc2)c2ccccc21)S(=O)(=O)c1ccc(OC)cc1 ZINC000473154550 562902226 /nfs/dbraw/zinc/90/22/26/562902226.db2.gz IKLBKEUFWRKWKQ-UHFFFAOYSA-N 0 0 670.762 4.374 1 0 KIAFRN COC(=O)CN(c1ccc(CN(c2ccc(CN(Cc3ccccc3)S(C)(=O)=O)cc2)S(=O)(=O)Cc2ccccc2)cc1)S(C)(=O)=O ZINC000473154921 562902303 /nfs/dbraw/zinc/90/23/03/562902303.db2.gz MTLILFHAEOTPQI-UHFFFAOYSA-N 0 0 699.873 4.124 1 0 KIAFRN O=C(Nc1ccc(Br)cc1)c1c(=O)oc(-c2cccc(Br)c2)cc1NCCO ZINC000473155015 562902355 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/nfs/dbraw/zinc/90/24/83/562902483.db2.gz STUFFQIGUGGQAV-KMRXNPHXSA-N 0 0 589.594 4.298 1 0 KIAFRN COCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccn3nccc3n2)C2CCCC2)nn1 ZINC000473156177 562902451 /nfs/dbraw/zinc/90/24/51/562902451.db2.gz STUFFQIGUGGQAV-PIKZIKFNSA-N 0 0 589.594 4.298 1 0 KIAFRN Nc1n[nH]c2cccc(-c3ccc(C(=O)N4CCN(C(=O)c5ccccc5Br)CC4)cc3)c12 ZINC000473158390 562902540 /nfs/dbraw/zinc/90/25/40/562902540.db2.gz WKBRCCPYCFUNGN-UHFFFAOYSA-N 0 0 504.388 4.173 1 0 KIAFRN COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1csc(C(F)(F)F)n1 ZINC000473159130 562902672 /nfs/dbraw/zinc/90/26/72/562902672.db2.gz JUNWLAORTWKJOM-UHFFFAOYSA-N 0 0 515.521 4.356 1 0 KIAFRN COc1cc2c(cn1)[C@H](Oc1ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc1OC)CCC2 ZINC000473159178 562902602 /nfs/dbraw/zinc/90/26/02/562902602.db2.gz OGKQRFCRLNVUPG-HSZRJFAPSA-N 0 0 511.586 4.161 1 0 KIAFRN COc1cc2c(cn1)[C@@H](Oc1ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc1OC)CCC2 ZINC000473159182 562902632 /nfs/dbraw/zinc/90/26/32/562902632.db2.gz OGKQRFCRLNVUPG-QHCPKHFHSA-N 0 0 511.586 4.161 1 0 KIAFRN COc1ccc([C@H](Oc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)C2CC2)cn1 ZINC000473159262 562902725 /nfs/dbraw/zinc/90/27/25/562902725.db2.gz YCMJHUJBSMXAEJ-AREMUKBSSA-N 0 0 511.586 4.235 1 0 KIAFRN COc1ccc([C@@H](Oc2ccc(Cn3c(N)nc4cc(-c5cnn(C)c5)cnc43)cc2OC)C2CC2)cn1 ZINC000473159267 562902731 /nfs/dbraw/zinc/90/27/31/562902731.db2.gz YCMJHUJBSMXAEJ-SANMLTNESA-N 0 0 511.586 4.235 1 0 KIAFRN COC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1cc(C(C)=O)c2ccccc21)c1cccc(Cl)c1F ZINC000473159308 562902706 /nfs/dbraw/zinc/90/27/06/562902706.db2.gz ZYFDMWCAGZNACR-LNDODUDPSA-N 0 0 511.981 4.130 1 0 KIAFRN CC(=O)N1CCC(OC(N)=O)(c2ccc(CN3[C@@H](C)CC[C@H](c4ccccc4)S3(=O)=O)c(F)c2)CC1 ZINC000473159781 562902743 /nfs/dbraw/zinc/90/27/43/562902743.db2.gz XPUAHLBEVYGVFF-MHECFPHRSA-N 0 0 517.623 4.228 1 0 KIAFRN CCOc1ccc(S(=O)(=O)N(Cc2ccc(N(CC(=O)OC)S(C)(=O)=O)cc2)c2ccc(CN(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000473160630 562902800 /nfs/dbraw/zinc/90/28/00/562902800.db2.gz YTCGRVBJVOVVMK-UHFFFAOYSA-N 0 0 729.899 4.382 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473164849 562902836 /nfs/dbraw/zinc/90/28/36/562902836.db2.gz BZKVGHJKSRHYSP-QQMNAOGKSA-N 0 0 526.012 4.011 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000473164896 562902851 /nfs/dbraw/zinc/90/28/51/562902851.db2.gz DJTWSDDNMRSYIX-INIZCTEOSA-N 0 0 506.969 4.486 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000473164902 562902823 /nfs/dbraw/zinc/90/28/23/562902823.db2.gz DJTWSDDNMRSYIX-MRXNPFEDSA-N 0 0 506.969 4.486 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@@H](C)[NH3+])CC1 ZINC000473165203 562902867 /nfs/dbraw/zinc/90/28/67/562902867.db2.gz RJYNFYGFBNBUJV-DAXOMENPSA-N 0 0 516.429 4.120 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000473165207 562902906 /nfs/dbraw/zinc/90/29/06/562902906.db2.gz RJYNFYGFBNBUJV-RCBQFDQVSA-N 0 0 516.429 4.120 1 0 KIAFRN CC(C)(O)COc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000473165238 562902934 /nfs/dbraw/zinc/90/29/34/562902934.db2.gz SSQPXKWETCKSQH-RTOPAQNCSA-N 0 0 558.010 4.235 1 0 KIAFRN CC(C)(O)COc1ccc2c(c1)c(NC(=O)N1[C@H]3C[C@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000473165240 562902918 /nfs/dbraw/zinc/90/29/18/562902918.db2.gz SSQPXKWETCKSQH-RXYZOABWSA-N 0 0 558.010 4.235 1 0 KIAFRN COc1cccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2ccco2)c1 ZINC000473166220 562903034 /nfs/dbraw/zinc/90/30/34/562903034.db2.gz DZZFYKSEOLPQLL-NFBKMPQASA-N 0 0 508.556 4.215 1 0 KIAFRN COc1cccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2ccco2)c1 ZINC000473166222 562903032 /nfs/dbraw/zinc/90/30/32/562903032.db2.gz DZZFYKSEOLPQLL-NZQKXSOJSA-N 0 0 508.556 4.215 1 0 KIAFRN COc1cccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2ccco2)c1 ZINC000473166223 562903021 /nfs/dbraw/zinc/90/30/21/562903021.db2.gz DZZFYKSEOLPQLL-OFNKIYASSA-N 0 0 508.556 4.215 1 0 KIAFRN COc1cccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2ccco2)c1 ZINC000473166225 562903030 /nfs/dbraw/zinc/90/30/30/562903030.db2.gz DZZFYKSEOLPQLL-REWPJTCUSA-N 0 0 508.556 4.215 1 0 KIAFRN CCCN(C)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000473166255 562903031 /nfs/dbraw/zinc/90/30/31/562903031.db2.gz FTGGFUUSYBPBCY-IOWSJCHKSA-N 0 0 609.789 4.226 1 0 KIAFRN COc1ccc(-n2c(CCN3C(=O)c4cccc(-c5nccs5)c4C3=O)nc3ccccc3c2=O)cc1 ZINC000473167041 562903003 /nfs/dbraw/zinc/90/30/03/562903003.db2.gz GMPIBFRBEGPUHY-UHFFFAOYSA-N 0 0 508.559 4.357 1 0 KIAFRN CC(C)(Cc1nnc(-c2ccc(F)cc2)o1)NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1 ZINC000473169252 562903142 /nfs/dbraw/zinc/90/31/42/562903142.db2.gz MTANEHIKUNKVBQ-UHFFFAOYSA-N 0 0 501.509 4.266 1 0 KIAFRN NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](CCO)c2cccc(Cl)c2F)c2ccccc21 ZINC000473171379 562903229 /nfs/dbraw/zinc/90/32/29/562903229.db2.gz URUHBCMQJKXXQW-PUZMVAROSA-N 0 0 513.957 4.009 1 0 KIAFRN COc1ccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2ccco2)cc1 ZINC000473171637 562903270 /nfs/dbraw/zinc/90/32/70/562903270.db2.gz UGCIVDUGYNUELM-NFBKMPQASA-N 0 0 508.556 4.215 1 0 KIAFRN COc1ccc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2ccco2)cc1 ZINC000473171638 562903285 /nfs/dbraw/zinc/90/32/85/562903285.db2.gz UGCIVDUGYNUELM-NZQKXSOJSA-N 0 0 508.556 4.215 1 0 KIAFRN COc1ccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2ccco2)cc1 ZINC000473171639 562903249 /nfs/dbraw/zinc/90/32/49/562903249.db2.gz UGCIVDUGYNUELM-OFNKIYASSA-N 0 0 508.556 4.215 1 0 KIAFRN COc1ccc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2ccco2)cc1 ZINC000473171640 562903286 /nfs/dbraw/zinc/90/32/86/562903286.db2.gz UGCIVDUGYNUELM-REWPJTCUSA-N 0 0 508.556 4.215 1 0 KIAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(F)c(F)c2)S3)cc(OC)c1OC ZINC000473172634 562903303 /nfs/dbraw/zinc/90/33/03/562903303.db2.gz YNFHSMGIVKSGSZ-DENIHFKCSA-N 0 0 514.510 4.484 1 0 KIAFRN COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(F)c(F)c2)S3)cc(OC)c1OC ZINC000473172637 562903315 /nfs/dbraw/zinc/90/33/15/562903315.db2.gz YNFHSMGIVKSGSZ-KNQAVFIVSA-N 0 0 514.510 4.484 1 0 KIAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(F)c(F)c2)S3)cc(OC)c1OC ZINC000473172639 562903298 /nfs/dbraw/zinc/90/32/98/562903298.db2.gz YNFHSMGIVKSGSZ-SIKLNZKXSA-N 0 0 514.510 4.484 1 0 KIAFRN COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(F)c(F)c2)S3)cc(OC)c1OC ZINC000473172642 562903312 /nfs/dbraw/zinc/90/33/12/562903312.db2.gz YNFHSMGIVKSGSZ-UGKGYDQZSA-N 0 0 514.510 4.484 1 0 KIAFRN COc1cc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2ccco2)cc(OC)c1OC ZINC000473172657 562903300 /nfs/dbraw/zinc/90/33/00/562903300.db2.gz YPSXSZHMVIKIBD-BWKNWUBXSA-N 0 0 568.608 4.232 1 0 KIAFRN COc1cc(C(=O)[C@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2ccco2)cc(OC)c1OC ZINC000473172662 562903291 /nfs/dbraw/zinc/90/32/91/562903291.db2.gz YPSXSZHMVIKIBD-OFVILXPXSA-N 0 0 568.608 4.232 1 0 KIAFRN COc1cc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@@H]2c2ccco2)cc(OC)c1OC ZINC000473172664 562903301 /nfs/dbraw/zinc/90/33/01/562903301.db2.gz YPSXSZHMVIKIBD-PXDATVDWSA-N 0 0 568.608 4.232 1 0 KIAFRN COc1cc(C(=O)[C@@H]2Sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3N[C@H]2c2ccco2)cc(OC)c1OC ZINC000473172819 562903334 /nfs/dbraw/zinc/90/33/34/562903334.db2.gz YPSXSZHMVIKIBD-SQJMNOBHSA-N 0 0 568.608 4.232 1 0 KIAFRN NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2C(=O)CSC2=O)cc1 ZINC000473179105 562903332 /nfs/dbraw/zinc/90/33/32/562903332.db2.gz RSPQQLDEVYQIIA-UHFFFAOYSA-N 0 0 517.592 4.008 1 0 KIAFRN COC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Nc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1F ZINC000473179318 562903345 /nfs/dbraw/zinc/90/33/45/562903345.db2.gz DFUYOOVQHJYJJQ-NDKINLCJSA-N 0 0 513.957 4.273 1 0 KIAFRN CNC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@H](COC)c2cccc(Cl)c2F)c2ccccc21 ZINC000473179370 562903330 /nfs/dbraw/zinc/90/33/30/562903330.db2.gz HKINPPGWYHUBOY-GYHJHTCASA-N 0 0 527.984 4.120 1 0 KIAFRN CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(OCc3ncccn3)cc21 ZINC000473179748 562903460 /nfs/dbraw/zinc/90/34/60/562903460.db2.gz UHARZZFXTOBBQK-HVETUWLQSA-N 0 0 612.540 4.274 1 0 KIAFRN C[NH2+][C@H]1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)nc43)cn2)C1 ZINC000473213147 562903905 /nfs/dbraw/zinc/90/39/05/562903905.db2.gz AAUQCDNTWWVRAX-KRWDZBQOSA-N 0 0 506.969 4.356 1 0 KIAFRN C[NH2+][C@@H]1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)nc43)cn2)C1 ZINC000473213148 562903841 /nfs/dbraw/zinc/90/38/41/562903841.db2.gz AAUQCDNTWWVRAX-QGZVFWFLSA-N 0 0 506.969 4.356 1 0 KIAFRN C[NH+](C)[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)nc32)CC1 ZINC000473213462 562903845 /nfs/dbraw/zinc/90/38/45/562903845.db2.gz DUOGJSFDZHFFRO-SHTZXODSSA-N 0 0 509.459 4.419 1 0 KIAFRN C[NH+](C)C[C@H]1CC[C@H](Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)nc32)CC1 ZINC000473213468 562903880 /nfs/dbraw/zinc/90/38/80/562903880.db2.gz GTXQGFILMNVEHB-KOMQPUFPSA-N 0 0 507.031 4.153 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1cnc(N2CC[C@H]([NH3+])C2)nc1 ZINC000473213509 562903958 /nfs/dbraw/zinc/90/39/58/562903958.db2.gz VWUVJSLUODCSBG-AWEZNQCLSA-N 0 0 510.385 4.005 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1cnc(N2CC[C@@H]([NH3+])C2)nc1 ZINC000473213510 562903932 /nfs/dbraw/zinc/90/39/32/562903932.db2.gz VWUVJSLUODCSBG-CQSZACIVSA-N 0 0 510.385 4.005 1 0 KIAFRN C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)CO)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)nc32)CC1 ZINC000473213514 562903973 /nfs/dbraw/zinc/90/39/73/562903973.db2.gz WFZFTJTWVKHDAH-KOMQPUFPSA-N 0 0 503.430 4.438 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1ccc(NCC[NH+](C)C)nc1 ZINC000473213520 562903946 /nfs/dbraw/zinc/90/39/46/562903946.db2.gz XJGUOYOSGFMUCH-UHFFFAOYSA-N 0 0 511.413 4.468 1 0 KIAFRN CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](C[N@H+](C)CCO)CC1 ZINC000473213523 562903908 /nfs/dbraw/zinc/90/39/08/562903908.db2.gz XTPQNRFYDOFOHT-SAABIXHNSA-N 0 0 501.002 4.314 1 0 KIAFRN C[NH+](C)CCOc1ccc(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)nc32)cn1 ZINC000473213529 562903955 /nfs/dbraw/zinc/90/39/55/562903955.db2.gz ZBNQFEYQMSFEHJ-UHFFFAOYSA-N 0 0 548.452 4.214 1 0 KIAFRN C[NH+](C)Cc1ccc(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)nc32)cc1 ZINC000473213530 562903969 /nfs/dbraw/zinc/90/39/69/562903969.db2.gz ZEYDOWYBOKJJSQ-UHFFFAOYSA-N 0 0 500.983 4.426 1 0 KIAFRN COc1cc(Cn2c(N)nc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473215380 562904034 /nfs/dbraw/zinc/90/40/34/562904034.db2.gz KDCGROMZSUCCMF-UHFFFAOYSA-N 0 0 509.492 4.294 1 0 KIAFRN C#[N+]c1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)[C@H]2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000473220637 562904135 /nfs/dbraw/zinc/90/41/35/562904135.db2.gz RNBLEIZCVPAOFK-PATFTRMSSA-N 0 0 553.966 4.343 1 0 KIAFRN C#[N+]c1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)[C@@H]2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000473220655 562904119 /nfs/dbraw/zinc/90/41/19/562904119.db2.gz RNBLEIZCVPAOFK-WKMHLBOISA-N 0 0 553.966 4.343 1 0 KIAFRN CCOC(=O)CCCNC(=O)c1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@@H]2C(=O)Nc1ccc(F)cc1 ZINC000473220792 562904200 /nfs/dbraw/zinc/90/42/00/562904200.db2.gz YVAIDIKFKJEQSD-CBCUSGRTSA-N 0 0 678.096 4.445 1 0 KIAFRN CCOC(=O)CCCNC(=O)c1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@H]2C(=O)Nc1ccc(F)cc1 ZINC000473220794 562904179 /nfs/dbraw/zinc/90/41/79/562904179.db2.gz YVAIDIKFKJEQSD-KHBSKBJESA-N 0 0 678.096 4.445 1 0 KIAFRN COc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)COC1=O ZINC000473228794 562904301 /nfs/dbraw/zinc/90/43/01/562904301.db2.gz OJEDZZCXTIFZHQ-FUDKSRODSA-N 0 0 566.651 4.442 1 0 KIAFRN COc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)COC1=O ZINC000473228795 562904299 /nfs/dbraw/zinc/90/42/99/562904299.db2.gz OJEDZZCXTIFZHQ-MQSCRBSSSA-N 0 0 566.651 4.442 1 0 KIAFRN COc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228796 562904260 /nfs/dbraw/zinc/90/42/60/562904260.db2.gz OLOPMUZKYGOXAP-LSQMVHIFSA-N 0 0 591.705 4.024 1 0 KIAFRN COc1cc(C[N@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228797 562904264 /nfs/dbraw/zinc/90/42/64/562904264.db2.gz OLOPMUZKYGOXAP-VDKIKQQVSA-N 0 0 591.705 4.024 1 0 KIAFRN CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(OC[C@@H]3CCCO3)cc21 ZINC000473228805 562904351 /nfs/dbraw/zinc/90/43/51/562904351.db2.gz PNOSDGFOWUNNAC-UKTRLQBQSA-N 0 0 604.557 4.463 1 0 KIAFRN CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2ccc(OC[C@H]3CCCO3)cc21 ZINC000473228806 562904354 /nfs/dbraw/zinc/90/43/54/562904354.db2.gz PNOSDGFOWUNNAC-ZDZLMVPKSA-N 0 0 604.557 4.463 1 0 KIAFRN Cc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228899 562904380 /nfs/dbraw/zinc/90/43/80/562904380.db2.gz VSYOFWZTHMGSFF-DGWZTRNLSA-N 0 0 575.706 4.324 1 0 KIAFRN Cc1cc(C[N@@H+](C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228903 562904402 /nfs/dbraw/zinc/90/44/02/562904402.db2.gz VSYOFWZTHMGSFF-GNKBHMEESA-N 0 0 575.706 4.324 1 0 KIAFRN COc1cc(C[N@H+]([C@H](C)c2ccc(Cl)c(F)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000473229030 562904404 /nfs/dbraw/zinc/90/44/04/562904404.db2.gz IJCQMAQULIIFOD-AHRSYUTCSA-N 0 0 532.996 4.442 1 0 KIAFRN COc1cc(C[N@H+]([C@@H](C)c2ccc(Cl)c(F)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000473229036 562904460 /nfs/dbraw/zinc/90/44/60/562904460.db2.gz IJCQMAQULIIFOD-FFZOFVMBSA-N 0 0 532.996 4.442 1 0 KIAFRN Cc1cc(C[N@@H+]([C@H](C)c2ccc(Cl)cc2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473229080 562904469 /nfs/dbraw/zinc/90/44/69/562904469.db2.gz WLRFEQSUFJFCRQ-CKUXNOBLSA-N 0 0 526.033 4.014 1 0 KIAFRN Cc1cc(C[N@@H+]([C@H](C)c2ccc(Cl)cc2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473233340 562904577 /nfs/dbraw/zinc/90/45/77/562904577.db2.gz WQYAVDCBBCUVNP-AAIMPIBUSA-N 0 0 514.022 4.348 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CC[C@@H]4CCCC[C@H]4C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000473240697 562904651 /nfs/dbraw/zinc/90/46/51/562904651.db2.gz MQJJBRADMZIMMI-ONTIZHBOSA-N 0 0 503.647 4.434 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CC[C@H]4CCCC[C@H]4C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000473240698 562904649 /nfs/dbraw/zinc/90/46/49/562904649.db2.gz MQJJBRADMZIMMI-VWPQPMDRSA-N 0 0 503.647 4.434 1 0 KIAFRN CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CCC(=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240709 562904727 /nfs/dbraw/zinc/90/47/27/562904727.db2.gz PJPUAGMKKWQTLQ-FQEVSTJZSA-N 0 0 540.657 4.006 1 0 KIAFRN CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CCC(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240710 562904740 /nfs/dbraw/zinc/90/47/40/562904740.db2.gz PJPUAGMKKWQTLQ-HXUWFJFHSA-N 0 0 540.657 4.006 1 0 KIAFRN COc1ccc(-c2ccc3c(n2)nc(N2CCC[C@@H](C(F)(F)F)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000473240761 562904735 /nfs/dbraw/zinc/90/47/35/562904735.db2.gz ZBGNVEHAGQUNMJ-QFBILLFUSA-N 0 0 517.552 4.197 1 0 KIAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CO)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473245135 562904932 /nfs/dbraw/zinc/90/49/32/562904932.db2.gz VWJDLUIZGVTFMP-OGLKEZPNSA-N 0 0 545.684 4.080 1 0 KIAFRN CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN4CCOCC4)nc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473245320 562904952 /nfs/dbraw/zinc/90/49/52/562904952.db2.gz YJIZUGAMEZXSLT-KRKINAOUSA-N 0 0 614.791 4.420 1 0 KIAFRN COc1ccc(Nc2cc(-c3ccc(C(=O)NCCNC(=O)c4ccc(F)c(F)c4)cc3)ncn2)cc1 ZINC000473247851 562905019 /nfs/dbraw/zinc/90/50/19/562905019.db2.gz IWFQALWXNDBTPE-UHFFFAOYSA-N 0 0 503.509 4.334 1 0 KIAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Br)cc1)CC(=O)C[C@H]2c1ccc(Br)cc1 ZINC000473247929 562905024 /nfs/dbraw/zinc/90/50/24/562905024.db2.gz JRXXIBMQDGLJTA-KDURUIRLSA-N 0 0 548.231 4.479 1 0 KIAFRN CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1cccc(Br)c1)CC(=O)C[C@H]2c1cccc(Br)c1 ZINC000473247939 562905021 /nfs/dbraw/zinc/90/50/21/562905021.db2.gz JWFDXFACGXZOPP-KDURUIRLSA-N 0 0 548.231 4.479 1 0 KIAFRN COc1ccc(Nc2cc(-c3ccc(C(=O)NCCNC(=O)c4cccc(N(C)C)c4)cc3)ncn2)cc1 ZINC000473248010 562905001 /nfs/dbraw/zinc/90/50/01/562905001.db2.gz KXAYALPFYVNKDH-UHFFFAOYSA-N 0 0 510.598 4.122 1 0 KIAFRN CC(C)n1[nH]c(=NC(=O)CO)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000473248393 562905051 /nfs/dbraw/zinc/90/50/51/562905051.db2.gz NPJTWUVIGAJRIL-HDICACEKSA-N 0 0 526.012 4.009 1 0 KIAFRN CCC(=O)Oc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603962 562905254 /nfs/dbraw/zinc/90/52/54/562905254.db2.gz DDLCQPDCAXABDI-AREMUKBSSA-N 0 0 502.611 4.478 1 0 KIAFRN CCC(=O)Oc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603963 562905276 /nfs/dbraw/zinc/90/52/76/562905276.db2.gz DDLCQPDCAXABDI-SANMLTNESA-N 0 0 502.611 4.478 1 0 KIAFRN CCS(=O)(=O)N1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3ccccc32)CC1 ZINC000474607065 562905415 /nfs/dbraw/zinc/90/54/15/562905415.db2.gz IOGHJBSCCRITPR-LJQANCHMSA-N 0 0 512.676 4.220 1 0 KIAFRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000474608480 562905506 /nfs/dbraw/zinc/90/55/06/562905506.db2.gz MHJVDJCHGQODBG-HSZRJFAPSA-N 0 0 605.529 4.138 1 0 KIAFRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000474608481 562905486 /nfs/dbraw/zinc/90/54/86/562905486.db2.gz MHJVDJCHGQODBG-QHCPKHFHSA-N 0 0 605.529 4.138 1 0 KIAFRN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474608956 562905477 /nfs/dbraw/zinc/90/54/77/562905477.db2.gz NDHNYYRLBSTZNM-AREMUKBSSA-N 0 0 500.565 4.391 1 0 KIAFRN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000474608959 562905508 /nfs/dbraw/zinc/90/55/08/562905508.db2.gz NDHNYYRLBSTZNM-SANMLTNESA-N 0 0 500.565 4.391 1 0 KIAFRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000474609021 562905556 /nfs/dbraw/zinc/90/55/56/562905556.db2.gz NSAZHLULDCZWGP-HSZRJFAPSA-N 0 0 649.980 4.247 1 0 KIAFRN Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(Cl)c1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000474609022 562905528 /nfs/dbraw/zinc/90/55/28/562905528.db2.gz NSAZHLULDCZWGP-QHCPKHFHSA-N 0 0 649.980 4.247 1 0 KIAFRN COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC(C)(C)OC(=O)CN ZINC000474610080 562905803 /nfs/dbraw/zinc/90/58/03/562905803.db2.gz ZYBWJSGMCOVTSU-UHFFFAOYSA-N 0 0 514.003 4.436 1 0 KIAFRN C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c1cccc(C(F)(F)c2n[nH]c(=O)c3ccccc32)c1 ZINC000584904894 562905826 /nfs/dbraw/zinc/90/58/26/562905826.db2.gz SRNBPLVNLYRSLY-LBPRGKRZSA-N 0 0 504.419 4.130 1 0 in-vitro KIAFRN CC(C)[C@@](O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)C(F)(F)F ZINC000584905299 562905864 /nfs/dbraw/zinc/90/58/64/562905864.db2.gz POYRTHYMXFSQBJ-XMMPIXPASA-N 0 0 518.020 4.446 1 0 in-vitro KIAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@H](c2ccc(F)c(C(=O)NCc3nccc4ccccc43)c2)NC(=O)N1 ZINC000584905724 562905879 /nfs/dbraw/zinc/90/58/79/562905879.db2.gz UGYAZGXSMRGKRD-MHZLTWQESA-N 0 0 549.566 4.447 1 0 in-vitro KIAFRN Cn1c(=O)nc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)cc1N1CCS(=O)(=O)CC1 ZINC000584905732 562905885 /nfs/dbraw/zinc/90/58/85/562905885.db2.gz FLCSHCSBIFPQJJ-UHFFFAOYSA-N 0 0 579.931 4.337 1 0 in-vitro KIAFRN O=C(c1nccc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc21)N1CCOCC1 ZINC000653662931 562905886 /nfs/dbraw/zinc/90/58/86/562905886.db2.gz PJESVNVKDXFWHA-JOCHJYFZSA-N 0 0 526.563 4.277 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664893 562905954 /nfs/dbraw/zinc/90/59/54/562905954.db2.gz PIUXSBGKAMYRFN-MUUNZHRXSA-N 0 0 586.670 4.218 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664894 562905930 /nfs/dbraw/zinc/90/59/30/562905930.db2.gz PIUXSBGKAMYRFN-NDEPHWFRSA-N 0 0 586.670 4.218 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CCCC2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653665221 562905987 /nfs/dbraw/zinc/90/59/87/562905987.db2.gz BSQGGNPQVHKELV-SFHVURJKSA-N 0 0 507.612 4.234 1 0 KIAFRN Cc1cc(S(=O)(=O)NCC2CC2)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653665222 562905979 /nfs/dbraw/zinc/90/59/79/562905979.db2.gz BTVCELJQYVYBMY-KRWDZBQOSA-N 0 0 507.612 4.138 1 0 KIAFRN COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc(N5CCCOCC5)n4)o3)nc2s1 ZINC000653666162 562905984 /nfs/dbraw/zinc/90/59/84/562905984.db2.gz OLFJSYFEVMJTBF-UHFFFAOYSA-N 0 0 513.601 4.483 1 0 KIAFRN CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 ZINC000653671237 562906134 /nfs/dbraw/zinc/90/61/34/562906134.db2.gz SVPDKOMJVPQMSN-UHFFFAOYSA-N 0 0 606.726 4.230 1 0 KIAFRN COc1cc2c(cc1OC)N[C@@H](C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000653671942 562906203 /nfs/dbraw/zinc/90/62/03/562906203.db2.gz ZZQQSSBNJXWEKY-ITHJLQSDSA-N 0 0 538.648 4.443 1 0 KIAFRN COc1cc2c(cc1OC)N[C@@H](C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000653671943 562906195 /nfs/dbraw/zinc/90/61/95/562906195.db2.gz ZZQQSSBNJXWEKY-KZQOYIJHSA-N 0 0 538.648 4.443 1 0 KIAFRN COc1cc2c(cc1OC)N[C@H](C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000653671944 562906202 /nfs/dbraw/zinc/90/62/02/562906202.db2.gz ZZQQSSBNJXWEKY-MYKRZTLLSA-N 0 0 538.648 4.443 1 0 KIAFRN COc1cc2c(cc1OC)N[C@H](C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000653671945 562906194 /nfs/dbraw/zinc/90/61/94/562906194.db2.gz 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562908543 /nfs/dbraw/zinc/90/85/43/562908543.db2.gz RIPPGWQPCSZSKU-KRWDZBQOSA-N 0 0 616.659 4.387 1 0 KIAFRN CCS(=O)(=O)N(Cc1ccccc1)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000653716363 562908561 /nfs/dbraw/zinc/90/85/61/562908561.db2.gz RIPPGWQPCSZSKU-QGZVFWFLSA-N 0 0 616.659 4.387 1 0 KIAFRN O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000653717495 562908602 /nfs/dbraw/zinc/90/86/02/562908602.db2.gz XLXJXSYABWWLCS-IEKAHNGHSA-N 0 0 538.999 4.085 1 0 KIAFRN COC(=O)CCC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)CC[C@](C)(O)[C@@]13OC2(C)C ZINC000653719065 562908692 /nfs/dbraw/zinc/90/86/92/562908692.db2.gz GHIZWADWHGKWPY-RGANUYOGSA-N 0 0 692.758 4.362 1 0 KIAFRN COc1ccc(OCc2cn(-c3ccc(CC[N@@H+]4CCc5cc(OC)c(OC)cc5C4)cc3)nn2)cc1 ZINC000653720677 562908726 /nfs/dbraw/zinc/90/87/26/562908726.db2.gz SNFZPIVSMVRTCI-UHFFFAOYSA-N 0 0 500.599 4.473 1 0 KIAFRN 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/nfs/dbraw/zinc/90/89/20/562908920.db2.gz OPHLOTINKVUMEC-HXVSAEATSA-N 0 0 636.694 4.456 1 0 KIAFRN CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@@H](C)[C@]13OC(C)(C)[C@@H]([C@H]3OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1 ZINC000653725052 562909018 /nfs/dbraw/zinc/90/90/18/562909018.db2.gz SYMROPCAWOJPQD-SPIKHJKTSA-N 0 0 636.694 4.458 1 0 KIAFRN COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)NC2(C(N)=O)CCCCC2)C2CCCCC2)cc(OC)c1OC ZINC000653725379 562909082 /nfs/dbraw/zinc/90/90/82/562909082.db2.gz MHFSWRAOZHBGAZ-DHLKQENFSA-N 0 0 543.705 4.062 1 0 KIAFRN O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CO)Cc1ccc2c(c1)OCO2 ZINC000653726119 562909055 /nfs/dbraw/zinc/90/90/55/562909055.db2.gz CGDZIAPSYNIXKK-IRLDBZIGSA-N 0 0 529.511 4.489 1 0 KIAFRN CCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2cc(Cc3ccc(O)cc3)ccc2-c2nn[nH]n2)cc1 ZINC000653729584 562909377 /nfs/dbraw/zinc/90/93/77/562909377.db2.gz KAZQBTNDLRRVMH-UHFFFAOYSA-N 0 0 551.651 4.354 1 0 KIAFRN CC1=CCC[C@@H]2[C@@](C)(/C=C/C3=CC(=O)OC3)[C@@](C)(O)[C@@H](OC(=O)[C@@H](O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000653730855 562909451 /nfs/dbraw/zinc/90/94/51/562909451.db2.gz MTYFHYHZGWBADT-MCLBAPAHSA-N 0 0 552.664 4.314 1 0 KIAFRN CC1=CCC[C@@H]2[C@@](C)(/C=C/C3=CC(=O)OC3)[C@@](C)(O)[C@@H](OC(=O)[C@H](O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000653730856 562909459 /nfs/dbraw/zinc/90/94/59/562909459.db2.gz MTYFHYHZGWBADT-NPJSOOSASA-N 0 0 552.664 4.314 1 0 KIAFRN CC(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)O[C@]3(COC(=O)C3)C[C@H](OC(=O)c3ccccc3)[C@]2(C)[C@H]2CCC=C(C)[C@]12C ZINC000653730875 562909453 /nfs/dbraw/zinc/90/94/53/562909453.db2.gz UKKZGLUGVQWEGZ-RPXYYXLCSA-N 0 0 554.636 4.323 1 0 KIAFRN O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C[C@H]2NC(=O)CC3(CC(=O)NCCCCCNC(=O)CNC2=O)CCCC3)cc1 ZINC000653733748 562909575 /nfs/dbraw/zinc/90/95/75/562909575.db2.gz HSTNEKZTSOZTDI-GPOMZPHUSA-N 0 0 771.359 4.149 1 0 KIAFRN COc1cc2nc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n(-c3ccc(F)cc3)c(=O)c2cc1OC 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CCN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739214 562910083 /nfs/dbraw/zinc/91/00/83/562910083.db2.gz BJBBLNZYCKXCCG-XQCGIEGMSA-N 0 0 563.903 4.162 1 0 KIAFRN COc1ccc(-n2cc(COC(=O)c3cc4ccccc4n3Cc3cn(-c4ccc(OC)cc4)nn3)nn2)cc1 ZINC000653739732 562910120 /nfs/dbraw/zinc/91/01/20/562910120.db2.gz CHLXBHWCWLWWHR-UHFFFAOYSA-N 0 0 535.564 4.225 1 0 KIAFRN CC(=O)O[C@H]1CC[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C2=O)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]13C ZINC000653740433 562910155 /nfs/dbraw/zinc/91/01/55/562910155.db2.gz HPPLAVZBBZVZSJ-QKFHXSMYSA-N 0 0 576.642 4.067 1 0 KIAFRN CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)CC[C@](C)(OC(=O)CN4CCOCC4)[C@@]13OC2(C)C ZINC000653740462 562910141 /nfs/dbraw/zinc/91/01/41/562910141.db2.gz QPIYZWBEAYTXHR-LVJFDZMASA-N 0 0 747.838 4.312 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2[S@](C)=O)c1 ZINC000653745140 562910333 /nfs/dbraw/zinc/91/03/33/562910333.db2.gz OUESTQAJROIPEZ-KDXMTYKHSA-N 0 0 543.609 4.373 1 0 KIAFRN C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2[S@@](C)=O)c1 ZINC000653745141 562910334 /nfs/dbraw/zinc/91/03/34/562910334.db2.gz OUESTQAJROIPEZ-LDLOPFEMSA-N 0 0 543.609 4.373 1 0 KIAFRN NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(I)cc3)n2)cc1 ZINC000653746396 562910383 /nfs/dbraw/zinc/91/03/83/562910383.db2.gz HYVSMLRHBKHYIA-UHFFFAOYSA-N 0 0 534.301 4.027 1 0 KIAFRN O[C@](Cn1cncn1)(C[NH+]1CCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)CC1)c1ccc(F)cc1F ZINC000653749359 562910621 /nfs/dbraw/zinc/91/06/21/562910621.db2.gz IXVIKWJBCGMZDL-DEOSSOPVSA-N 0 0 534.489 4.393 1 0 KIAFRN O[C@@](Cn1cncn1)(C[NH+]1CCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)CC1)c1ccc(F)cc1F ZINC000653749363 562910581 /nfs/dbraw/zinc/91/05/81/562910581.db2.gz IXVIKWJBCGMZDL-XMMPIXPASA-N 0 0 534.489 4.393 1 0 KIAFRN O=C(Cc1cccc(I)c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 ZINC000653749364 562910608 /nfs/dbraw/zinc/91/06/08/562910608.db2.gz JSLHOUUNORIRKI-UHFFFAOYSA-N 0 0 610.427 4.197 1 0 KIAFRN O=C(COc1ccc(I)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 ZINC000653749465 562910671 /nfs/dbraw/zinc/91/06/71/562910671.db2.gz ZEDSVQCWRIGXII-UHFFFAOYSA-N 0 0 626.426 4.033 1 0 KIAFRN CNS(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 ZINC000653754941 562910850 /nfs/dbraw/zinc/91/08/50/562910850.db2.gz ZMUKCHBQCXHYLR-UHFFFAOYSA-N 0 0 503.580 4.223 1 0 KIAFRN CCC(=O)N1CCN(c2ccc(Nc3c(C(N)=O)cnc4ccc(-c5ccc(N)nc5)cc43)cc2C(F)(F)F)CC1 ZINC000653755964 562910957 /nfs/dbraw/zinc/91/09/57/562910957.db2.gz LVCOTOLJLJPJMH-UHFFFAOYSA-N 0 0 563.584 4.221 1 0 KIAFRN O=C(c1cccc(I)c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 ZINC000653757042 562910978 /nfs/dbraw/zinc/91/09/78/562910978.db2.gz BXSRLXZDPDFDTP-UHFFFAOYSA-N 0 0 596.400 4.268 1 0 KIAFRN O=C(c1ccc(I)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 ZINC000653757154 562911016 /nfs/dbraw/zinc/91/10/16/562911016.db2.gz QOCIPUHZHXLQMK-UHFFFAOYSA-N 0 0 596.400 4.268 1 0 KIAFRN COc1cccc(-c2ccc(CNC(=O)[C@H]3C[C@@H]3c3nc(C)no3)c3c2CCN(C(=O)NC(C)(C)C)C3)c1 ZINC000653757186 562911036 /nfs/dbraw/zinc/91/10/36/562911036.db2.gz UXTWCRDHZBXXGV-ZEQRLZLVSA-N 0 0 517.630 4.340 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653757340 562911065 /nfs/dbraw/zinc/91/10/65/562911065.db2.gz HJCWKDGMKNSKDF-UHFFFAOYSA-N 0 0 559.644 4.336 1 0 KIAFRN CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4ccccc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 ZINC000653758375 562911160 /nfs/dbraw/zinc/91/11/60/562911160.db2.gz KSXRKXOWCWUIAV-UHFFFAOYSA-N 0 0 600.697 4.168 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653758402 562911177 /nfs/dbraw/zinc/91/11/77/562911177.db2.gz VMHNCNBNTNMAKP-UHFFFAOYSA-N 0 0 572.687 4.251 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653760121 562911235 /nfs/dbraw/zinc/91/12/35/562911235.db2.gz QHOUWYKENUNHJU-UHFFFAOYSA-N 0 0 566.586 4.350 1 0 KIAFRN COc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1I ZINC000653760628 562911304 /nfs/dbraw/zinc/91/13/04/562911304.db2.gz JAMUUQKHUDQIOR-UHFFFAOYSA-N 0 0 626.426 4.277 1 0 KIAFRN CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000653760962 562911350 /nfs/dbraw/zinc/91/13/50/562911350.db2.gz STPIBSIFRYATSG-MDIFVRCHSA-N 0 0 512.695 4.215 1 0 KIAFRN CC(=O)N1CCOC[C@@H]1COc1cc(Cl)c(-c2noc(-c3cc(C)nc(NC(C)C)c3)n2)cc1F ZINC000653764459 562911540 /nfs/dbraw/zinc/91/15/40/562911540.db2.gz OMDQRWUBLCIGBR-QGZVFWFLSA-N 0 0 503.962 4.346 1 0 KIAFRN CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](O)C(=C1C)C2(C)C ZINC000653767966 562911705 /nfs/dbraw/zinc/91/17/05/562911705.db2.gz MUXSBMDXFWWZFD-PFTGUEMUSA-N 0 0 791.935 4.108 1 0 KIAFRN Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773211 562911816 /nfs/dbraw/zinc/91/18/16/562911816.db2.gz WGJMLQXVMJDTEY-UHFFFAOYSA-N 0 0 578.716 4.313 1 0 KIAFRN COc1ccc2c(Cn3cc(COc4ccc(OCc5cn(Cc6cc(=O)oc7cc(OC)ccc67)nn5)cc4)nn3)cc(=O)oc2c1 ZINC000653773272 562911893 /nfs/dbraw/zinc/91/18/93/562911893.db2.gz WTYNIDMDVAUSBY-UHFFFAOYSA-N 0 0 648.632 4.354 1 0 KIAFRN O=C([O-])CCNc1nc(-n2cc3ccccc3n2)cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)[nH+]1 ZINC000653774614 562911896 /nfs/dbraw/zinc/91/18/96/562911896.db2.gz WPYJAUVCWNRUBU-UHFFFAOYSA-N 0 0 512.401 4.336 1 0 KIAFRN C[C@@H](NS(N)(=O)=O)c1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000653782705 562912233 /nfs/dbraw/zinc/91/22/33/562912233.db2.gz BPTJKKYBPWVEJJ-LLVKDONJSA-N 0 0 588.374 4.058 1 0 KIAFRN C[C@H](NS(N)(=O)=O)c1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000653782706 562912236 /nfs/dbraw/zinc/91/22/36/562912236.db2.gz BPTJKKYBPWVEJJ-NSHDSACASA-N 0 0 588.374 4.058 1 0 KIAFRN O=C(N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1)Cc1ccccc1)c1ccccc1 ZINC000653785025 562912339 /nfs/dbraw/zinc/91/23/39/562912339.db2.gz VJMWRAIKSLBOMN-NSOVKSMOSA-N 0 0 507.590 4.007 1 0 KIAFRN NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F ZINC000653785913 562912382 /nfs/dbraw/zinc/91/23/82/562912382.db2.gz LTQRQYGKFXIKSB-UHFFFAOYSA-N 0 0 596.300 4.098 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)nc(=O)[nH]2)C(F)(F)F)n1 ZINC000653790440 562912558 /nfs/dbraw/zinc/91/25/58/562912558.db2.gz IAEKYGJEHJXZTG-DYESRHJHSA-N 0 0 566.968 4.045 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)nc(=O)[nH]2)C(F)(F)F)n1 ZINC000653790447 562912597 /nfs/dbraw/zinc/91/25/97/562912597.db2.gz IAEKYGJEHJXZTG-LAUBAEHRSA-N 0 0 566.968 4.045 1 0 KIAFRN Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O ZINC000653790509 562912608 /nfs/dbraw/zinc/91/26/08/562912608.db2.gz SXZPVVYAPXMNHZ-UHFFFAOYSA-N 0 0 592.337 4.267 1 0 KIAFRN NC(=O)c1c(Oc2cccc(CS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F ZINC000653790512 562912613 /nfs/dbraw/zinc/91/26/13/562912613.db2.gz VCPUFODQLXVLHF-UHFFFAOYSA-N 0 0 577.322 4.132 1 0 KIAFRN NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2F)cc(F)c(F)c1Nc1ccc(I)cc1F ZINC000653790522 562912609 /nfs/dbraw/zinc/91/26/09/562912609.db2.gz XTXSCECNBYLYSO-UHFFFAOYSA-N 0 0 614.290 4.237 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)c(F)c3)ccc21 ZINC000653790884 562912643 /nfs/dbraw/zinc/91/26/43/562912643.db2.gz AELTXLJEMWUQCA-UHFFFAOYSA-N 0 0 520.540 4.352 1 0 KIAFRN COc1ccc(Cn2cc(C(=O)NCCc3cc(Br)c([O-])c(Br)c3)nn2)cc1Br ZINC000653790890 562912627 /nfs/dbraw/zinc/91/26/27/562912627.db2.gz BWHLHYOIHKYNIQ-UHFFFAOYSA-N 0 0 589.082 4.301 1 0 KIAFRN O=C(NCCc1cc(Br)c([O-])c(Br)c1)c1cn(CCc2ccc(O)c(Br)c2)nn1 ZINC000653790927 562912636 /nfs/dbraw/zinc/91/26/36/562912636.db2.gz GCVZXZIZUVRMQY-UHFFFAOYSA-N 0 0 589.082 4.192 1 0 KIAFRN Cn1c(=O)c(S(=O)(=O)c2ccc(OC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653791825 562912688 /nfs/dbraw/zinc/91/26/88/562912688.db2.gz AKILECUTVMLSNQ-CERRFVOPSA-N 0 0 673.777 4.017 1 0 KIAFRN Cn1c(=O)c(S(=O)(=O)c2ccc(OC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]43)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653791826 562912674 /nfs/dbraw/zinc/91/26/74/562912674.db2.gz AKILECUTVMLSNQ-PNIUZAESSA-N 0 0 673.777 4.017 1 0 KIAFRN Cn1c(=O)c(S(=O)(=O)c2ccc(OC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653791827 562912673 /nfs/dbraw/zinc/91/26/73/562912673.db2.gz AKILECUTVMLSNQ-QQNWGBJXSA-N 0 0 673.777 4.017 1 0 KIAFRN Cn1c(=O)c(S(=O)(=O)c2ccc(OC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 ZINC000653791828 562912665 /nfs/dbraw/zinc/91/26/65/562912665.db2.gz AKILECUTVMLSNQ-VBOOUTDYSA-N 0 0 673.777 4.017 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC[NH2+][C@H](C(=O)[O-])C4)CC3)nc(N)n2)C(F)(F)F)n1 ZINC000653793993 562912893 /nfs/dbraw/zinc/91/28/93/562912893.db2.gz XTLWGRFMRGZXCW-PGRDOPGGSA-N 0 0 580.011 4.312 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC[NH2+][C@@H](C(=O)[O-])C4)CC3)nc(N)n2)C(F)(F)F)n1 ZINC000653793994 562912865 /nfs/dbraw/zinc/91/28/65/562912865.db2.gz XTLWGRFMRGZXCW-XMSQKQJNSA-N 0 0 580.011 4.312 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@@H](C)C([NH2+]CC(=O)[O-])[C@H](C)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653795013 562912938 /nfs/dbraw/zinc/91/29/38/562912938.db2.gz AKQPRFBXVLHMRU-GJDIJTJZSA-N 0 0 568.000 4.024 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@@H](C)[C@H]([NH2+]CC(=O)[O-])[C@@H](C)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653795018 562912965 /nfs/dbraw/zinc/91/29/65/562912965.db2.gz AKQPRFBXVLHMRU-HJRSETNKSA-N 0 0 568.000 4.024 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@H](C)C([NH2+]CC(=O)[O-])[C@@H](C)C3)nc(N)n2)C(F)(F)F)n1 ZINC000653795019 562912942 /nfs/dbraw/zinc/91/29/42/562912942.db2.gz AKQPRFBXVLHMRU-ZDODERHWSA-N 0 0 568.000 4.024 1 0 KIAFRN COc1cc2c(cc1OCCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1)N=C[C@@H]1CCCN1C2=O ZINC000653795243 562913027 /nfs/dbraw/zinc/91/30/27/562913027.db2.gz JXFYQITYLHDIMW-FQEVSTJZSA-N 0 0 539.629 4.411 1 0 KIAFRN COc1cc2c(cc1OCCCCCNC(=O)c1cc(OC)c(OC)c(OC)c1)N=C[C@@H]1CCCN1C2=O ZINC000653795277 562913012 /nfs/dbraw/zinc/91/30/12/562913012.db2.gz PFAVUTHMHSIKNS-IBGZPJMESA-N 0 0 525.602 4.021 1 0 KIAFRN Cn1c(SCCCN2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1 ZINC000653795678 562913102 /nfs/dbraw/zinc/91/31/02/562913102.db2.gz UDVBAIMSAZRJGM-FQEVSTJZSA-N 0 0 505.566 4.156 1 0 KIAFRN Cn1c(SCCCN2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(C(N)=O)cc1 ZINC000653795679 562913108 /nfs/dbraw/zinc/91/31/08/562913108.db2.gz UDVBAIMSAZRJGM-HXUWFJFHSA-N 0 0 505.566 4.156 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cncc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)n2)C(F)(F)F)n1 ZINC000653795750 562913079 /nfs/dbraw/zinc/91/30/79/562913079.db2.gz CZMRKRQXIVGFQM-PGRDOPGGSA-N 0 0 550.969 4.340 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cncc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)n2)C(F)(F)F)n1 ZINC000653795754 562913097 /nfs/dbraw/zinc/91/30/97/562913097.db2.gz CZMRKRQXIVGFQM-XMSQKQJNSA-N 0 0 550.969 4.340 1 0 KIAFRN CCOC(=O)[C@@H]1CC2(C[NH2+]1)CCN(c1cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n1)CC2 ZINC000653795767 562913115 /nfs/dbraw/zinc/91/31/15/562913115.db2.gz GFKLPMANPQVXBN-WMZHIEFXSA-N 0 0 594.038 4.400 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cnc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)cn2)C(F)(F)F)n1 ZINC000653795807 562913083 /nfs/dbraw/zinc/91/30/83/562913083.db2.gz MAHBXSPAMDJHJX-PGRDOPGGSA-N 0 0 550.969 4.340 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cnc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)cn2)C(F)(F)F)n1 ZINC000653795809 562913087 /nfs/dbraw/zinc/91/30/87/562913087.db2.gz MAHBXSPAMDJHJX-XMSQKQJNSA-N 0 0 550.969 4.340 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cnnc(N3CCC4(C[NH2+][C@@H](C(=O)[O-])C4)CC3)c2)C(F)(F)F)n1 ZINC000653795839 562913094 /nfs/dbraw/zinc/91/30/94/562913094.db2.gz TUPRAOVBKWMGGF-DENIHFKCSA-N 0 0 550.969 4.340 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cnnc(N3CCC4(C[NH2+][C@H](C(=O)[O-])C4)CC3)c2)C(F)(F)F)n1 ZINC000653795840 562913120 /nfs/dbraw/zinc/91/31/20/562913120.db2.gz TUPRAOVBKWMGGF-SIKLNZKXSA-N 0 0 550.969 4.340 1 0 KIAFRN O=C(C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2)CC1)NCCN1CCOCC1 ZINC000653796383 562913144 /nfs/dbraw/zinc/91/31/44/562913144.db2.gz FZVCIPJZXKGCBB-RQNOJGIXSA-N 0 0 547.725 4.494 1 0 KIAFRN NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Cl ZINC000653796672 562913184 /nfs/dbraw/zinc/91/31/84/562913184.db2.gz SPLFQDSWYQVQLH-UHFFFAOYSA-N 0 0 594.765 4.473 1 0 KIAFRN COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)ccc1O ZINC000653797905 562913195 /nfs/dbraw/zinc/91/31/95/562913195.db2.gz RJORLIKQLPCURR-OQLLNIDSSA-N 0 0 551.646 4.401 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC[C@H](C(=O)[O-])[NH2+]4)CC3)nc(N)n2)C(F)(F)F)n1 ZINC000653798082 562913158 /nfs/dbraw/zinc/91/31/58/562913158.db2.gz LNZWLODBTQHKHH-DYESRHJHSA-N 0 0 565.984 4.064 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC[C@@H](C(=O)[O-])[NH2+]4)CC3)nc(N)n2)C(F)(F)F)n1 ZINC000653798083 562913160 /nfs/dbraw/zinc/91/31/60/562913160.db2.gz LNZWLODBTQHKHH-LAUBAEHRSA-N 0 0 565.984 4.064 1 0 KIAFRN CC(=O)Oc1ccc(/C=C/C(=O)NCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)cc1OC(C)=O ZINC000653798222 562913210 /nfs/dbraw/zinc/91/32/10/562913210.db2.gz DOFAPWKNJKOEES-PJQLUOCWSA-N 0 0 638.699 4.249 1 0 KIAFRN Cc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1NS(N)(=O)=O ZINC000653798252 562913211 /nfs/dbraw/zinc/91/32/11/562913211.db2.gz SHMYKQKBTAYGMS-UHFFFAOYSA-N 0 0 574.347 4.128 1 0 KIAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCCSc2nc(-c3ccc(S(N)(=O)=O)cc3)n(-c3ccc(F)cc3)n2)cc1OC(C)=O ZINC000653798255 562913228 /nfs/dbraw/zinc/91/32/28/562913228.db2.gz SVZXXIMBDHIMHF-PJQLUOCWSA-N 0 0 654.698 4.310 1 0 KIAFRN CCNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000653798259 562913212 /nfs/dbraw/zinc/91/32/12/562913212.db2.gz WTXUEWBMMOZJLH-UHFFFAOYSA-N 0 0 588.374 4.470 1 0 KIAFRN CC(=O)Oc1ccc(/C=C/C(=O)OCCCSc2nc(-c3ccc(S(N)(=O)=O)cc3)n(-c3ccccc3)n2)cc1OC(C)=O ZINC000653798271 562913258 /nfs/dbraw/zinc/91/32/58/562913258.db2.gz ZRSLTYQNGUAXTK-MHWRWJLKSA-N 0 0 636.708 4.171 1 0 KIAFRN NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(F)c(NS(N)(=O)=O)c1F ZINC000653798272 562913256 /nfs/dbraw/zinc/91/32/56/562913256.db2.gz ZWKCGNHGOKXIKT-UHFFFAOYSA-N 0 0 596.300 4.098 1 0 KIAFRN NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(Cl)c(NS(N)(=O)=O)c1 ZINC000653799572 562913266 /nfs/dbraw/zinc/91/32/66/562913266.db2.gz IADNYUSYAXNDTD-UHFFFAOYSA-N 0 0 594.765 4.473 1 0 KIAFRN CC(=O)Oc1ccc(/C=C/C(=O)NCCSc2nc(-c3ccc(S(N)(=O)=O)cc3)n(-c3ccc(Br)cc3)n2)cc1OC(C)=O ZINC000653799615 562913289 /nfs/dbraw/zinc/91/32/89/562913289.db2.gz TYIXEVDIWPISAZ-LNKIKWGQSA-N 0 0 700.593 4.117 1 0 KIAFRN Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(C[C@@H](C(=O)[O-])[N@H+](C)C4)CC3)nc(N)n2)C(F)(F)F)n1 ZINC000653799641 562913310 /nfs/dbraw/zinc/91/33/10/562913310.db2.gz AIBAUSQUUFXCGZ-SIKLNZKXSA-N 0 0 580.011 4.264 1 0 KIAFRN CN(Cc1cn(-c2ccccc2)nn1)C(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000653799676 562913315 /nfs/dbraw/zinc/91/33/15/562913315.db2.gz NOKSEWNPOHAHBJ-MGBGTMOVSA-N 0 0 687.805 4.052 1 0 KIAFRN Cn1c(SCCCN2CCO[C@H](c3ccc(C(F)(F)F)cc3F)C2)nnc1-c1ccc(C(N)=O)cc1 ZINC000653799678 562913333 /nfs/dbraw/zinc/91/33/33/562913333.db2.gz ODRXDASPVTXFDY-FQEVSTJZSA-N 0 0 523.556 4.295 1 0 KIAFRN Cn1c(SCCCN2CCO[C@@H](c3ccc(C(F)(F)F)cc3F)C2)nnc1-c1ccc(C(N)=O)cc1 ZINC000653799679 562913340 /nfs/dbraw/zinc/91/33/40/562913340.db2.gz ODRXDASPVTXFDY-HXUWFJFHSA-N 0 0 523.556 4.295 1 0 KIAFRN CCOc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1NS(N)(=O)=O ZINC000653802028 562913453 /nfs/dbraw/zinc/91/34/53/562913453.db2.gz IZRZWLKNGORGAY-UHFFFAOYSA-N 0 0 604.373 4.218 1 0 KIAFRN Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O ZINC000653802056 562913434 /nfs/dbraw/zinc/91/34/34/562913434.db2.gz RGQQYUZZAVOEFH-UHFFFAOYSA-N 0 0 574.347 4.128 1 0 KIAFRN C[C@H]1Cn2c(nnc2C(C)(F)F)CN1C(=O)c1cccc(C(F)(F)c2n[nH]c(=O)c3ccccc32)c1 ZINC000653802210 562913482 /nfs/dbraw/zinc/91/34/82/562913482.db2.gz NWGMIELHSCQGOG-ZDUSSCGKSA-N 0 0 500.456 4.223 1 0 KIAFRN Cc1ccc(NS(N)(=O)=O)cc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O ZINC000653803692 562913534 /nfs/dbraw/zinc/91/35/34/562913534.db2.gz LFOGMNQEXBWVDJ-UHFFFAOYSA-N 0 0 574.347 4.128 1 0 KIAFRN Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)c(Cl)c3)ccc21 ZINC000653804980 562913648 /nfs/dbraw/zinc/91/36/48/562913648.db2.gz IZHBRDRWTZQAIK-UHFFFAOYSA-N 0 0 522.968 4.383 1 0 KIAFRN CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3s2)CC1 ZINC000653805004 562913641 /nfs/dbraw/zinc/91/36/41/562913641.db2.gz OWRWIQIZXKPVNH-LAOBSVPGSA-N 0 0 666.903 4.330 1 0 KIAFRN CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)cc3s2)CC1 ZINC000653805005 562913631 /nfs/dbraw/zinc/91/36/31/562913631.db2.gz OWRWIQIZXKPVNH-TTZMFTMZSA-N 0 0 666.903 4.330 1 0 KIAFRN CCCCCOc1cc(O)c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653806042 562913663 /nfs/dbraw/zinc/91/36/63/562913663.db2.gz FVEWIEULMSIVBF-CNTBMXMRSA-N 0 0 552.576 4.226 1 0 KIAFRN CCCCCOc1cc(O)c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653806043 562913675 /nfs/dbraw/zinc/91/36/75/562913675.db2.gz FVEWIEULMSIVBF-IECRIWKTSA-N 0 0 552.576 4.226 1 0 KIAFRN CCCCCOc1cc(O)c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653806044 562913669 /nfs/dbraw/zinc/91/36/69/562913669.db2.gz FVEWIEULMSIVBF-UGIQSDBZSA-N 0 0 552.576 4.226 1 0 KIAFRN CCCCCOc1cc(O)c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653806045 562913692 /nfs/dbraw/zinc/91/36/92/562913692.db2.gz FVEWIEULMSIVBF-ZBBWKFRYSA-N 0 0 552.576 4.226 1 0 KIAFRN CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(Br)c3s2)CC1 ZINC000653807551 562913723 /nfs/dbraw/zinc/91/37/23/562913723.db2.gz MMNRPVLOUWQXSL-KRWDZBQOSA-N 0 0 504.483 4.428 1 0 KIAFRN CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(Br)c3s2)CC1 ZINC000653807552 562913721 /nfs/dbraw/zinc/91/37/21/562913721.db2.gz MMNRPVLOUWQXSL-QGZVFWFLSA-N 0 0 504.483 4.428 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1ccccc1C ZINC000653808719 562913753 /nfs/dbraw/zinc/91/37/53/562913753.db2.gz AHVGUDMIXQLRTG-XCZVAFSMSA-N 0 0 531.561 4.236 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1ccccc1F ZINC000653808768 562913771 /nfs/dbraw/zinc/91/37/71/562913771.db2.gz UEOAFDHHPARYKT-GLMMHSNRSA-N 0 0 535.524 4.066 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccccc3F)ccc21 ZINC000653811109 562913859 /nfs/dbraw/zinc/91/38/59/562913859.db2.gz LNAVWTDHTHRKFC-UHFFFAOYSA-N 0 0 502.550 4.213 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3cc(F)cc(F)c3)ccc21 ZINC000653811117 562913840 /nfs/dbraw/zinc/91/38/40/562913840.db2.gz OODPCILDUZJHJD-UHFFFAOYSA-N 0 0 520.540 4.352 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)cc3)ccc21 ZINC000653811133 562913847 /nfs/dbraw/zinc/91/38/47/562913847.db2.gz UJWZRLIPOGZMTL-UHFFFAOYSA-N 0 0 502.550 4.213 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3cccc(F)c3)ccc21 ZINC000653811137 562913883 /nfs/dbraw/zinc/91/38/83/562913883.db2.gz UODHAWXIXNVCHI-UHFFFAOYSA-N 0 0 502.550 4.213 1 0 KIAFRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OC[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000653813182 562913933 /nfs/dbraw/zinc/91/39/33/562913933.db2.gz PQGQSXWCBNEDIX-DGPALRBDSA-N 0 0 556.684 4.469 1 0 KIAFRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)OC[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000653813183 562913894 /nfs/dbraw/zinc/91/38/94/562913894.db2.gz PQGQSXWCBNEDIX-JDXGNMNLSA-N 0 0 556.684 4.469 1 0 KIAFRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)OC[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000653813184 562913910 /nfs/dbraw/zinc/91/39/10/562913910.db2.gz PQGQSXWCBNEDIX-MFMCTBQISA-N 0 0 556.684 4.469 1 0 KIAFRN Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)OC[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000653813185 562913904 /nfs/dbraw/zinc/91/39/04/562913904.db2.gz PQGQSXWCBNEDIX-PQHLKRTFSA-N 0 0 556.684 4.469 1 0 KIAFRN COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1cccc(F)c1 ZINC000653813186 562913899 /nfs/dbraw/zinc/91/38/99/562913899.db2.gz PRPIFCLPRIUGRZ-GLMMHSNRSA-N 0 0 535.524 4.066 1 0 KIAFRN Nc1nc(C(=O)NCc2cccc3cc(C(=O)N4CCCc5ccccc54)cnc32)c2cccc(F)c2n1 ZINC000653813207 562913964 /nfs/dbraw/zinc/91/39/64/562913964.db2.gz WKZDIXJLBNRISL-UHFFFAOYSA-N 0 0 506.541 4.422 1 0 KIAFRN CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1NCCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000653817143 562914037 /nfs/dbraw/zinc/91/40/37/562914037.db2.gz MMSGFRITXFVNCG-UHFFFAOYSA-N 0 0 528.034 4.421 1 0 KIAFRN O=C(NN1[C@@H](C(=O)Nc2nc3ccccc3s2)C[C@H]1C(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000653819641 562914072 /nfs/dbraw/zinc/91/40/72/562914072.db2.gz JKLGUYRBPGSFDQ-KDURUIRLSA-N 0 0 528.619 4.271 1 0 KIAFRN O=C(NN1[C@H](C(=O)Nc2nc3ccccc3s2)C[C@H]1C(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000653819647 562914070 /nfs/dbraw/zinc/91/40/70/562914070.db2.gz JKLGUYRBPGSFDQ-OALUTQOASA-N 0 0 528.619 4.271 1 0 KIAFRN O=C(NN1[C@@H](C(=O)Nc2nc3ccccc3s2)C[C@@H]1C(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000653819648 562914067 /nfs/dbraw/zinc/91/40/67/562914067.db2.gz JKLGUYRBPGSFDQ-RTBURBONSA-N 0 0 528.619 4.271 1 0 KIAFRN CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1NCCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000653819819 562914089 /nfs/dbraw/zinc/91/40/89/562914089.db2.gz BUWACSOKYARKQF-UHFFFAOYSA-N 0 0 507.616 4.076 1 0 KIAFRN COc1cc([C@H]2C3=C(COC3=O)N(CCc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000653823252 562914300 /nfs/dbraw/zinc/91/43/00/562914300.db2.gz PZYVCAAILFDNEG-RUZDIDTESA-N 0 0 505.498 4.283 1 0 KIAFRN COc1cc([C@@H]2C3=C(COC3=O)N(CCc3ccc(F)cc3)c3cc4c(cc32)OCO4)cc(OC)c1O ZINC000653823253 562914289 /nfs/dbraw/zinc/91/42/89/562914289.db2.gz PZYVCAAILFDNEG-VWLOTQADSA-N 0 0 505.498 4.283 1 0 KIAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@H](c2ccc(F)c(C(=O)NCc3cccc(F)c3)c2)NC(=O)N1 ZINC000653825216 562914356 /nfs/dbraw/zinc/91/43/56/562914356.db2.gz BXTYCBBDHNQJNG-DEOSSOPVSA-N 0 0 516.508 4.038 1 0 KIAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(F)c(C(=O)NCc3cccc(F)c3)c2)NC(=O)N1 ZINC000653825217 562914349 /nfs/dbraw/zinc/91/43/49/562914349.db2.gz BXTYCBBDHNQJNG-XMMPIXPASA-N 0 0 516.508 4.038 1 0 KIAFRN Cc1cccc(C)c1CNC(=O)Cc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc3n[nH]cc3c2)ccc1F ZINC000653825231 562914365 /nfs/dbraw/zinc/91/43/65/562914365.db2.gz IDOAXNXBZZZOFX-MUUNZHRXSA-N 0 0 540.599 4.444 1 0 KIAFRN Cc1cccc(C)c1CNC(=O)Cc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc3n[nH]cc3c2)ccc1F ZINC000653825232 562914347 /nfs/dbraw/zinc/91/43/47/562914347.db2.gz IDOAXNXBZZZOFX-NDEPHWFRSA-N 0 0 540.599 4.444 1 0 KIAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@H](c2ccc(F)c(C(=O)NCc3c(F)cccc3F)c2)NC(=O)N1 ZINC000653825951 562914423 /nfs/dbraw/zinc/91/44/23/562914423.db2.gz YJQKIQOVJOGHMP-DEOSSOPVSA-N 0 0 534.498 4.177 1 0 KIAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(F)c(C(=O)NCc3c(F)cccc3F)c2)NC(=O)N1 ZINC000653825952 562914404 /nfs/dbraw/zinc/91/44/04/562914404.db2.gz YJQKIQOVJOGHMP-XMMPIXPASA-N 0 0 534.498 4.177 1 0 KIAFRN COc1ccc(CC(C)(C)[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(C)c3c2[C@@H]2[C@H](O3)[C@H]2C(=O)[O-])c(Cl)c1 ZINC000653829280 562914452 /nfs/dbraw/zinc/91/44/52/562914452.db2.gz AJYPYZIFYPVAAG-WUFDQLBWSA-N 0 0 504.023 4.265 1 0 KIAFRN CNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)n2C)C1 ZINC000653829301 562914456 /nfs/dbraw/zinc/91/44/56/562914456.db2.gz BHHKEFRQFWWDLQ-ZWKOTPCHSA-N 0 0 535.446 4.473 1 0 KIAFRN CNC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NC(=O)c2cc(Br)c[nH]2)C1 ZINC000653829360 562914508 /nfs/dbraw/zinc/91/45/08/562914508.db2.gz JCVJFLXUXXEFKR-ZWKOTPCHSA-N 0 0 521.419 4.462 1 0 KIAFRN CSc1ccc(CC(C)(C)[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(C)c3c2[C@@H]2[C@H](O3)[C@H]2C(=O)[O-])cc1F ZINC000653829375 562914500 /nfs/dbraw/zinc/91/45/00/562914500.db2.gz KQHRSQLTCOTZSL-WUFDQLBWSA-N 0 0 503.636 4.464 1 0 KIAFRN NC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)s2)C1 ZINC000653829398 562914493 /nfs/dbraw/zinc/91/44/93/562914493.db2.gz SFFGXWBFIOHJDJ-JKSUJKDBSA-N 0 0 560.499 4.483 1 0 KIAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(F)c(C(=O)NCc3nccc4ccccc43)c2)NC(=O)N1 ZINC000653830167 562914546 /nfs/dbraw/zinc/91/45/46/562914546.db2.gz UGYAZGXSMRGKRD-HHHXNRCGSA-N 0 0 549.566 4.447 1 0 KIAFRN CC(C)[C@](O)(C(=O)N1CCC(C2CCN(c3ccc(C(=O)N(C)C)c(Cl)c3)CC2)CC1)C(F)(F)F ZINC000653831397 562914567 /nfs/dbraw/zinc/91/45/67/562914567.db2.gz POYRTHYMXFSQBJ-DEOSSOPVSA-N 0 0 518.020 4.446 1 0 KIAFRN NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)cs2)cc1 ZINC000653833225 562914613 /nfs/dbraw/zinc/91/46/13/562914613.db2.gz 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MTADMTSGJVTOBB-UHFFFAOYSA-N 0 0 538.530 4.491 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(Cl)cc4Cl)cn3C)cn2C)cc1C(=O)NCCCN1CCOCC1 ZINC000653843524 562915035 /nfs/dbraw/zinc/91/50/35/562915035.db2.gz SFJVFYZWRUISLR-UHFFFAOYSA-N 0 0 683.597 4.218 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3ccc(F)c(F)c3)ccc21 ZINC000653843539 562915049 /nfs/dbraw/zinc/91/50/49/562915049.db2.gz XMKWDYMXJFTPTB-UHFFFAOYSA-N 0 0 538.530 4.491 1 0 KIAFRN CCn1c(CNc2ccc(C(N)=[NH2+])cc2F)nc2cc(C(=O)N(CCC(=O)[O-])c3cc(F)cc(F)c3)ccc21 ZINC000653845058 562915092 /nfs/dbraw/zinc/91/50/92/562915092.db2.gz AUWWWYZGFHQFSR-UHFFFAOYSA-N 0 0 538.530 4.491 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc(F)cc4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000653845129 562915116 /nfs/dbraw/zinc/91/51/16/562915116.db2.gz VGKIUEUBUWATHO-ONEGZZNKSA-N 0 0 598.679 4.240 1 0 KIAFRN Cc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1NS(N)(=O)=O ZINC000653845306 562915124 /nfs/dbraw/zinc/91/51/24/562915124.db2.gz BCBKKNBOFWMYCK-UHFFFAOYSA-N 0 0 574.347 4.128 1 0 KIAFRN COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(-c5ccccc5)cccc4C34CC4)c21 ZINC000653845315 562915111 /nfs/dbraw/zinc/91/51/11/562915111.db2.gz CZRLQUCPMAJXMM-UHFFFAOYSA-N 0 0 518.577 4.384 1 0 KIAFRN Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)COc4ccc5c(c4)-c4nc6ccccc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000653845348 562915135 /nfs/dbraw/zinc/91/51/35/562915135.db2.gz UMSUPZITIQZLTF-ZRTCZMBISA-N 0 0 706.804 4.240 1 0 KIAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(C(=O)OCc3ccccc3)nn1)CC2 ZINC000653847670 562915282 /nfs/dbraw/zinc/91/52/82/562915282.db2.gz UWTKNVPUQDJLRV-QHCPKHFHSA-N 0 0 543.576 4.232 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc5nsnc5c4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000653849889 562915394 /nfs/dbraw/zinc/91/53/94/562915394.db2.gz KZUQRLRBWCMFPO-ONEGZZNKSA-N 0 0 638.754 4.105 1 0 KIAFRN Cn1cc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cccc(F)c4)cc3)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000653849938 562915430 /nfs/dbraw/zinc/91/54/30/562915430.db2.gz ZMXYGBOITOLAOP-VOTSOKGWSA-N 0 0 598.679 4.240 1 0 KIAFRN COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nn1)CC2 ZINC000653850829 562915527 /nfs/dbraw/zinc/91/55/27/562915527.db2.gz OJCHHCBYHGRVSD-FIPFOOKPSA-N 0 0 638.718 4.468 1 0 KIAFRN Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)C(=O)NCN4CC(F)(F)F)cc2)cn1 ZINC000653851534 562915549 /nfs/dbraw/zinc/91/55/49/562915549.db2.gz HEIMUHPANNQRGV-UHFFFAOYSA-N 0 0 504.944 4.093 1 0 KIAFRN COC(=O)c1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000653853282 562915640 /nfs/dbraw/zinc/91/56/40/562915640.db2.gz IWWHQDQCPBHRJS-UHFFFAOYSA-N 0 0 520.529 4.312 1 0 KIAFRN COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)n(C(=O)c4ccccc4)c3=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000653853342 562915649 /nfs/dbraw/zinc/91/56/49/562915649.db2.gz RVIDBOCUSVUQOP-CBOKRJPRSA-N 0 0 734.758 4.485 1 0 KIAFRN CNC(=O)c1cc(Oc2ccc3nc(NC(=O)Nc4ccc(N5CCOCC5)cc4)sc3c2)ccn1 ZINC000653856863 562915719 /nfs/dbraw/zinc/91/57/19/562915719.db2.gz RSWSLYRTWAGVNW-UHFFFAOYSA-N 0 0 504.572 4.324 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(O)c3)s2)s1 ZINC000653861070 562915963 /nfs/dbraw/zinc/91/59/63/562915963.db2.gz NSAAFTDYUOBQOW-UHFFFAOYSA-N 0 0 508.629 4.023 1 0 KIAFRN CN(C)c1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1 ZINC000653861116 562915982 /nfs/dbraw/zinc/91/59/82/562915982.db2.gz YTKFBNKIPUGVSJ-UHFFFAOYSA-N 0 0 535.699 4.383 1 0 KIAFRN O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccc(Br)cn3)s2)s1 ZINC000653863970 562916085 /nfs/dbraw/zinc/91/60/85/562916085.db2.gz PMBBYEFNHZEDPK-UHFFFAOYSA-N 0 0 572.514 4.475 1 0 KIAFRN CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000653866644 562916262 /nfs/dbraw/zinc/91/62/62/562916262.db2.gz SMNRLAPURYQMDT-NRFANRHFSA-N 0 0 534.960 4.446 1 0 KIAFRN COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)N(C)C)C2CCCCC2)nn1-c1ccc(F)cc1 ZINC000653866659 562916276 /nfs/dbraw/zinc/91/62/76/562916276.db2.gz XDPWGAPPBCBLKQ-SANMLTNESA-N 0 0 508.594 4.463 1 0 KIAFRN CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1ccc2ccn(Cc3ccccc3)c2c1=O ZINC000653869228 562916298 /nfs/dbraw/zinc/91/62/98/562916298.db2.gz HHWBRYOQIFSDOQ-GXGOVSBUSA-N 0 0 616.665 4.044 1 0 KIAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6c7ccccc7C(=O)C6=O)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653871513 562916404 /nfs/dbraw/zinc/91/64/04/562916404.db2.gz FVACZTPWZHJRTQ-RIWGJCQISA-N 0 0 556.663 4.451 1 0 KIAFRN CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)N(C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000653872989 562916488 /nfs/dbraw/zinc/91/64/88/562916488.db2.gz MSEUAQOGDNNXRK-UHFFFAOYSA-N 0 0 517.549 4.193 1 0 KIAFRN C[C@H](NC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000653873018 562916529 /nfs/dbraw/zinc/91/65/29/562916529.db2.gz XIZMSSXCERQZOL-HNNXBMFYSA-N 0 0 531.576 4.408 1 0 KIAFRN C[C@@H](NC(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000653873019 562916520 /nfs/dbraw/zinc/91/65/20/562916520.db2.gz XIZMSSXCERQZOL-OAHLLOKOSA-N 0 0 531.576 4.408 1 0 KIAFRN O=C(CNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2 ZINC000653874522 562916569 /nfs/dbraw/zinc/91/65/69/562916569.db2.gz GWECJNZVNVVHRA-BKUYFWCQSA-N 0 0 546.555 4.098 1 0 KIAFRN O=C(CNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)/C(=C\c1ccc(F)cc1)C(=O)N2 ZINC000653874651 562916595 /nfs/dbraw/zinc/91/65/95/562916595.db2.gz YRGSCIVBDOKHIV-FSJBWODESA-N 0 0 558.516 4.175 1 0 KIAFRN C=CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc2N)c1 ZINC000653875496 562916611 /nfs/dbraw/zinc/91/66/11/562916611.db2.gz AJAYMEAWIMWBDE-UHFFFAOYSA-N 0 0 547.623 4.236 1 0 KIAFRN COc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)s2)cc1 ZINC000653875526 562916634 /nfs/dbraw/zinc/91/66/34/562916634.db2.gz JZZFWYPANRHLSY-UHFFFAOYSA-N 0 0 522.656 4.326 1 0 KIAFRN COc1ccc(-n2c(C)nc3c2nc(-c2cccc(Cl)c2)nc3NCCN2CCOCC2)cc1OC ZINC000653878455 562916658 /nfs/dbraw/zinc/91/66/58/562916658.db2.gz AYTATZTXMRYHSZ-UHFFFAOYSA-N 0 0 509.010 4.206 1 0 KIAFRN CC(C)c1c(NC(=O)Nc2cnc(N3CCCS3(=O)=O)c(C(F)(F)F)c2)cnc2cc(Cl)nn21 ZINC000653878748 562916719 /nfs/dbraw/zinc/91/67/19/562916719.db2.gz DLBQBILEQBRONY-UHFFFAOYSA-N 0 0 517.921 4.104 1 0 KIAFRN O=C(N[C@H](/C=C1\CCOC1=O)C[C@@H]1CCNC1=O)[C@H](Cc1ccc(F)c(F)c1)n1ccc2cc(-c3ccccc3F)[nH]c2c1=O ZINC000653880681 562916738 /nfs/dbraw/zinc/91/67/38/562916738.db2.gz RPLJKXHHKDINDI-FWWXMISNSA-N 0 0 618.612 4.082 1 0 KIAFRN COc1cc(NC(=O)CCSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC ZINC000653882104 562916778 /nfs/dbraw/zinc/91/67/78/562916778.db2.gz AQWPREYWIRWXQH-UHFFFAOYSA-N 0 0 520.611 4.181 1 0 KIAFRN S=C(NCCCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000653882148 562916822 /nfs/dbraw/zinc/91/68/22/562916822.db2.gz OBDIAJMTIKZKPR-UHFFFAOYSA-N 0 0 501.454 4.145 1 0 KIAFRN CC(C)(OC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc32)CC1)C(F)F ZINC000653882167 562916834 /nfs/dbraw/zinc/91/68/34/562916834.db2.gz 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550.402 4.465 3 0 KIAFRN COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000008682082 561707382 /nfs/dbraw/zinc/70/73/82/561707382.db2.gz UVIOMXSYXZMGJN-NRFANRHFSA-N 0 0 519.392 4.231 3 0 KIAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008692095 561708189 /nfs/dbraw/zinc/70/81/89/561708189.db2.gz IBPNPPBEPSSZPO-TUDCREIJSA-N 0 0 580.660 4.339 3 0 KIAFRN NC(=O)[C@H](Cc1cc2ccccc2s1)NC(=O)[C@@H]1C[C@]2(CC(c3cccc(NC(=O)[C@@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)/C=C/Sc1ccccc1 ZINC000008694116 561708161 /nfs/dbraw/zinc/70/81/61/561708161.db2.gz HFATZERHDBZJKJ-VYQKBECUSA-N 0 0 736.876 4.101 3 0 KIAFRN NC(=O)[C@H](Cc1cc2ccccc2s1)NC(=O)[C@@H]1C[C@@]2(CC(c3cccc(NC(=O)[C@@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)/C=C/c1c(F)cccc1Cl ZINC000008774783 561708268 /nfs/dbraw/zinc/70/82/68/561708268.db2.gz WOKMGWCYXQZOPP-ZLDIGDJTSA-N 0 0 757.244 4.301 3 0 KIAFRN NC(=O)[C@H](Cc1cc2ccccc2s1)NC(=O)[C@@H]1C[C@]2(CC(c3cccc(NC(=O)[C@@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)/C=C/c1c(F)cccc1Cl ZINC000008774787 561708240 /nfs/dbraw/zinc/70/82/40/561708240.db2.gz WOKMGWCYXQZOPP-VYYLIHGKSA-N 0 0 757.244 4.301 3 0 KIAFRN CCOC(=O)C1=C(C)N(CCCC(=O)NCc2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000008829539 561708573 /nfs/dbraw/zinc/70/85/73/561708573.db2.gz HFNLHHXKPVLNPF-XMMPIXPASA-N 0 0 558.429 4.178 3 0 KIAFRN CCOC(=O)C1=C(C)N(CCCC(=O)NCc2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000008829540 561708570 /nfs/dbraw/zinc/70/85/70/561708570.db2.gz HFNLHHXKPVLNPF-DEOSSOPVSA-N 0 0 558.429 4.178 3 0 KIAFRN COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829555 561708546 /nfs/dbraw/zinc/70/85/46/561708546.db2.gz VABYTUKHIXOLGX-XYJTYJFBSA-N 0 0 601.769 4.016 3 0 KIAFRN COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCSCCO)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829558 561708590 /nfs/dbraw/zinc/70/85/90/561708590.db2.gz IUIVVSQUZWZUMA-XRCYRVQWSA-N 0 0 631.795 4.025 3 0 KIAFRN COCCn1c(C(=O)N2CCCC2)cc2c1C[C@H]1CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]21 ZINC000008829576 561708617 /nfs/dbraw/zinc/70/86/17/561708617.db2.gz KFRNSSKSYNGVQA-PICNGLBESA-N 0 0 573.665 4.076 3 0 KIAFRN CC(C)C[C@@H](CO)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012476856 561710904 /nfs/dbraw/zinc/71/09/04/561710904.db2.gz UKQHCMMRFAJJAR-UIOOFZCWSA-N 0 0 525.690 4.412 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@]12C ZINC000012477058 561710889 /nfs/dbraw/zinc/71/08/89/561710889.db2.gz YFWUXDQRDXVBAD-LDQAXMLRSA-N 0 0 503.324 4.058 3 0 KIAFRN COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012479923 561710960 /nfs/dbraw/zinc/71/09/60/561710960.db2.gz QIJLJKGYQOPDTP-GHTZIAJQSA-N 0 0 522.545 4.182 3 0 KIAFRN COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc21 ZINC000012480480 561710962 /nfs/dbraw/zinc/71/09/62/561710962.db2.gz XCVBDHXATUJINB-SQJMNOBHSA-N 0 0 504.608 4.316 3 0 KIAFRN CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000012482463 561710980 /nfs/dbraw/zinc/71/09/80/561710980.db2.gz ARHRRKGJKYHVOR-MHPIHPPYSA-N 0 0 514.420 4.391 3 0 KIAFRN Nc1c(Cl)cc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3CCOCCO)n2)cc1Cl ZINC000012489796 561710953 /nfs/dbraw/zinc/71/09/53/561710953.db2.gz FKZWOAWHFRZKRE-KRWDZBQOSA-N 0 0 508.431 4.203 3 0 KIAFRN Nc1c(Cl)cc(-c2csc(N[C@H](CO)c3nc4ccccc4n3CCOCCO)n2)cc1Cl ZINC000012489802 561710977 /nfs/dbraw/zinc/71/09/77/561710977.db2.gz FKZWOAWHFRZKRE-QGZVFWFLSA-N 0 0 508.431 4.203 3 0 KIAFRN OCCOCCn1c2ccccc2nc1[C@@H](CO)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000012489901 561710950 /nfs/dbraw/zinc/71/09/50/561710950.db2.gz URRHQWDIIJIZBZ-GOSISDBHSA-N 0 0 503.422 4.077 3 0 KIAFRN OCCOCCn1c2ccccc2nc1[C@H](CO)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000012489907 561710920 /nfs/dbraw/zinc/71/09/20/561710920.db2.gz URRHQWDIIJIZBZ-SFHVURJKSA-N 0 0 503.422 4.077 3 0 KIAFRN OCCOCCn1c2ccccc2nc1[C@@H](CO)Nc1nc(-c2ccccc2Br)cs1 ZINC000012489926 561710988 /nfs/dbraw/zinc/71/09/88/561710988.db2.gz BAMVJAOWHISWEN-GOSISDBHSA-N 0 0 503.422 4.077 3 0 KIAFRN OCCOCCn1c2ccccc2nc1[C@H](CO)Nc1nc(-c2ccccc2Br)cs1 ZINC000012489931 561710955 /nfs/dbraw/zinc/71/09/55/561710955.db2.gz BAMVJAOWHISWEN-SFHVURJKSA-N 0 0 503.422 4.077 3 0 KIAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(CC)C(=O)N(c3cccc(Br)c3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000012726473 561711291 /nfs/dbraw/zinc/71/12/91/561711291.db2.gz SJZAGFZTRQQPIP-KYCQWFEFSA-N 0 0 510.388 4.051 3 0 KIAFRN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000012727027 561711265 /nfs/dbraw/zinc/71/12/65/561711265.db2.gz MNTOKXWBBXQLAX-XBBWARJSSA-N 0 0 515.541 4.188 3 0 KIAFRN C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000012727029 561711344 /nfs/dbraw/zinc/71/13/44/561711344.db2.gz MNTOKXWBBXQLAX-SLQAJWMNSA-N 0 0 515.541 4.188 3 0 KIAFRN C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000012727031 561711322 /nfs/dbraw/zinc/71/13/22/561711322.db2.gz MNTOKXWBBXQLAX-SONOPUAISA-N 0 0 515.541 4.188 3 0 KIAFRN C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000012727035 561711298 /nfs/dbraw/zinc/71/12/98/561711298.db2.gz MNTOKXWBBXQLAX-ADXZGYQBSA-N 0 0 515.541 4.188 3 0 KIAFRN O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118564 561711450 /nfs/dbraw/zinc/71/14/50/561711450.db2.gz LRICZWXELWCMFO-PIKZIKFNSA-N 0 0 513.550 4.031 3 0 KIAFRN O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118622 561711456 /nfs/dbraw/zinc/71/14/56/561711456.db2.gz LRICZWXELWCMFO-RBTNQOKQSA-N 0 0 513.550 4.031 3 0 KIAFRN CCC(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000013478851 561714926 /nfs/dbraw/zinc/71/49/26/561714926.db2.gz CEARKFOYPUPQPI-DHIFEGFHSA-N 0 0 524.621 4.207 3 0 KIAFRN CCC(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000013478853 561714953 /nfs/dbraw/zinc/71/49/53/561714953.db2.gz CEARKFOYPUPQPI-JTSJOTPCSA-N 0 0 524.621 4.207 3 0 KIAFRN CCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000013478904 561714933 /nfs/dbraw/zinc/71/49/33/561714933.db2.gz MTZKHLNOZAFSKQ-JTSJOTPCSA-N 0 0 524.621 4.207 3 0 KIAFRN CCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000013478906 561714919 /nfs/dbraw/zinc/71/49/19/561714919.db2.gz MTZKHLNOZAFSKQ-DHIFEGFHSA-N 0 0 524.621 4.207 3 0 KIAFRN Cc1c(NS(=O)(=O)c2cccc(NC(=S)Nc3ccc(C)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000013598089 561721456 /nfs/dbraw/zinc/72/14/56/561721456.db2.gz CFLZPFMJVSCHFA-UHFFFAOYSA-N 0 0 507.641 4.403 3 0 KIAFRN O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634639 561722143 /nfs/dbraw/zinc/72/21/43/561722143.db2.gz RYVUHYGNJYJUDK-BVAGGSTKSA-N 0 0 529.475 4.297 3 0 KIAFRN O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634707 561722148 /nfs/dbraw/zinc/72/21/48/561722148.db2.gz RYVUHYGNJYJUDK-JYFHCDHNSA-N 0 0 529.475 4.297 3 0 KIAFRN CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013656890 561723260 /nfs/dbraw/zinc/72/32/60/561723260.db2.gz MPLGDSFIYKRRDN-YWEHKCAJSA-N 0 0 522.642 4.061 3 0 KIAFRN CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@@H](OCc2ccc(CO)cc2)C1 ZINC000013656942 561723255 /nfs/dbraw/zinc/72/32/55/561723255.db2.gz MPLGDSFIYKRRDN-RBJSKKJNSA-N 0 0 522.642 4.061 3 0 KIAFRN O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000013656983 561723213 /nfs/dbraw/zinc/72/32/13/561723213.db2.gz NISDPNOGGXRBPY-HXOBKFHXSA-N 0 0 500.393 4.145 3 0 KIAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000013657493 561723331 /nfs/dbraw/zinc/72/33/31/561723331.db2.gz SSDQOVPZUQVMJA-IBGZPJMESA-N 0 0 529.638 4.173 3 0 KIAFRN O=C(N[C@H]1C[P@@](=O)(Oc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1O)C(Cl)(Cl)Cl ZINC000013659979 561723360 /nfs/dbraw/zinc/72/33/60/561723360.db2.gz VTVBEJWKKLMUCQ-GRUUOMAWSA-N 0 0 508.722 4.090 3 0 KIAFRN O=C(N[C@H]1C[P@](=O)(Oc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1O)C(Cl)(Cl)Cl ZINC000013659982 561723342 /nfs/dbraw/zinc/72/33/42/561723342.db2.gz VTVBEJWKKLMUCQ-MSPQOXKPSA-N 0 0 508.722 4.090 3 0 KIAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660486 561723318 /nfs/dbraw/zinc/72/33/18/561723318.db2.gz TZVFUFRCUOACND-GDLZYMKVSA-N 0 0 514.509 4.368 3 0 KIAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660488 561723340 /nfs/dbraw/zinc/72/33/40/561723340.db2.gz TZVFUFRCUOACND-LJAQVGFWSA-N 0 0 514.509 4.368 3 0 KIAFRN COc1ccc([C@H]2C=C3CN(C(=O)OC(C)(C)C)S(=O)(=O)[C@H]3C[C@H]2OC(=O)c2cccs2)cc1 ZINC000013661129 561723465 /nfs/dbraw/zinc/72/34/65/561723465.db2.gz ZEXHGSUHEPYWJZ-SBHAEUEKSA-N 0 0 505.614 4.345 3 0 KIAFRN COc1ccccc1CNC(=O)c1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccccc1OC ZINC000015890106 561753088 /nfs/dbraw/zinc/75/30/88/561753088.db2.gz PMHAWAJHUQAQMF-RUZDIDTESA-N 0 0 517.626 4.095 3 0 KIAFRN COc1ccccc1CNC(=O)c1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1OC ZINC000015890109 561753064 /nfs/dbraw/zinc/75/30/64/561753064.db2.gz PMHAWAJHUQAQMF-VWLOTQADSA-N 0 0 517.626 4.095 3 0 KIAFRN O=C(NCCn1c2ccccc2nc1-c1ccncc1)[C@H]1CCCN1c1nc(CN2CCCCC2)cs1 ZINC000015934843 561753089 /nfs/dbraw/zinc/75/30/89/561753089.db2.gz FYCKVTAYILXUOD-RUZDIDTESA-N 0 0 515.687 4.326 3 0 KIAFRN O=C(NCCn1c2ccccc2nc1C(F)(F)F)[C@H]1CCCN1c1nc(CN2CCCCC2)cs1 ZINC000015934856 561753198 /nfs/dbraw/zinc/75/31/98/561753198.db2.gz XTEGRDTZUKSLRG-HXUWFJFHSA-N 0 0 506.598 4.283 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]12C ZINC000015935644 561753180 /nfs/dbraw/zinc/75/31/80/561753180.db2.gz IJSJRPJOZCYMOH-SSYAZSBWSA-N 0 0 504.461 4.184 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000015935732 561753176 /nfs/dbraw/zinc/75/31/76/561753176.db2.gz AXMPEGWBPZFKCI-WEGMGINNSA-N 0 0 503.324 4.058 3 0 KIAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4ccccc4)C(=O)N23)cc1 ZINC000015935783 561753216 /nfs/dbraw/zinc/75/32/16/561753216.db2.gz MEUWWGAAWJRLTN-PZNASWHRSA-N 0 0 503.599 4.403 3 0 KIAFRN CC(C)(C)N1C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)N3C(=O)N(c4ccccc4)C(=O)[C@@]3(C)[C@H]2C1=O ZINC000015936629 561753307 /nfs/dbraw/zinc/75/33/07/561753307.db2.gz WQMFTPFXXFAPID-LLBQEJIASA-N 0 0 510.388 4.131 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]12C ZINC000015936666 561753308 /nfs/dbraw/zinc/75/33/08/561753308.db2.gz IJSJRPJOZCYMOH-OKFYXZINSA-N 0 0 504.461 4.184 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@@]12C ZINC000015936682 561753328 /nfs/dbraw/zinc/75/33/28/561753328.db2.gz AXMPEGWBPZFKCI-YCMMZOLNSA-N 0 0 503.324 4.058 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000015936685 561753313 /nfs/dbraw/zinc/75/33/13/561753313.db2.gz AXMPEGWBPZFKCI-LDQAXMLRSA-N 0 0 503.324 4.058 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@]12C ZINC000015936689 561753292 /nfs/dbraw/zinc/75/32/92/561753292.db2.gz IJSJRPJOZCYMOH-QHYAIYAISA-N 0 0 504.461 4.184 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@]12C ZINC000015936699 561753306 /nfs/dbraw/zinc/75/33/06/561753306.db2.gz YFWUXDQRDXVBAD-WEGMGINNSA-N 0 0 503.324 4.058 3 0 KIAFRN CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@@]12C ZINC000015936703 561753324 /nfs/dbraw/zinc/75/33/24/561753324.db2.gz YFWUXDQRDXVBAD-ZQDYSYBYSA-N 0 0 503.324 4.058 3 0 KIAFRN Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 ZINC000015952253 561753672 /nfs/dbraw/zinc/75/36/72/561753672.db2.gz VDBHGVMULPMSSJ-IBGZPJMESA-N 0 0 529.638 4.106 3 0 KIAFRN Cc1cccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC000015952258 561753662 /nfs/dbraw/zinc/75/36/62/561753662.db2.gz SHLFWTNBPXYVCC-IBGZPJMESA-N 0 0 529.638 4.106 3 0 KIAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Oc2ccc(-c3ccccc3Cl)c(C(=O)NCc3ccccc3)c2)OC1(C)C ZINC000015952714 561753658 /nfs/dbraw/zinc/75/36/58/561753658.db2.gz BWUNRRVLITWFLX-FCRYVSRXSA-N 0 0 512.002 4.188 3 0 KIAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(Cl)cc3)c(C(=O)NCc3ccccc3)c2)OC1(C)C ZINC000015952715 561753669 /nfs/dbraw/zinc/75/36/69/561753669.db2.gz WSJUOHSXIVVTKK-AMBDWCSGSA-N 0 0 512.002 4.188 3 0 KIAFRN CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccccc3Cl)c(C(=O)NCc3ccccc3)c2)OC1(C)C ZINC000015952716 561753610 /nfs/dbraw/zinc/75/36/10/561753610.db2.gz BWUNRRVLITWFLX-AMBDWCSGSA-N 0 0 512.002 4.188 3 0 KIAFRN Cc1ccc(-c2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n[nH]2)cc1 ZINC000016050305 561753752 /nfs/dbraw/zinc/75/37/52/561753752.db2.gz VOCUZNXDJRPUHA-UHFFFAOYSA-N 0 0 506.053 4.339 3 0 aggregator KIAFRN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017306974 561754585 /nfs/dbraw/zinc/75/45/85/561754585.db2.gz GAVUJSZXFXAEDZ-NOZRDPDXSA-N 0 0 586.734 4.459 3 0 KIAFRN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017306978 561754547 /nfs/dbraw/zinc/75/45/47/561754547.db2.gz GAVUJSZXFXAEDZ-ZCYQVOJMSA-N 0 0 586.734 4.459 3 0 KIAFRN CN(C)[C@@H](COC(C)(C)C)c1nnc([C@H](CC(=O)OC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017307007 561754595 /nfs/dbraw/zinc/75/45/95/561754595.db2.gz GJLUATSDISJLDY-PMACEKPBSA-N 0 0 567.728 4.024 3 0 KIAFRN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307022 561754607 /nfs/dbraw/zinc/75/46/07/561754607.db2.gz BMGGJWHSGOWOBS-DCEDVJGZSA-N 0 0 586.734 4.459 3 0 KIAFRN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307025 561754710 /nfs/dbraw/zinc/75/47/10/561754710.db2.gz BMGGJWHSGOWOBS-YNJKOYDBSA-N 0 0 586.734 4.459 3 0 KIAFRN CN(C)[C@@H](COC(C)(C)C)c1nnc([C@H](CCC(=O)OC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017307054 561754680 /nfs/dbraw/zinc/75/46/80/561754680.db2.gz CWILZFNXXZMTKL-SFTDATJTSA-N 0 0 581.755 4.414 3 0 KIAFRN CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000017307068 561754695 /nfs/dbraw/zinc/75/46/95/561754695.db2.gz UQDXUCRAEBEBAU-ZWSUVBHBSA-N 0 0 586.734 4.459 3 0 KIAFRN CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000017307071 561754670 /nfs/dbraw/zinc/75/46/70/561754670.db2.gz UQDXUCRAEBEBAU-QUURXOELSA-N 0 0 586.734 4.459 3 0 KIAFRN CC[C@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000017307074 561754658 /nfs/dbraw/zinc/75/46/58/561754658.db2.gz UQDXUCRAEBEBAU-OPHFCASCSA-N 0 0 586.734 4.459 3 0 KIAFRN CC[C@H](C)[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc([C@H](Cc2ccc(O)cc2)NC(=O)OC(C)(C)C)nn1 ZINC000017307077 561754689 /nfs/dbraw/zinc/75/46/89/561754689.db2.gz UQDXUCRAEBEBAU-GRYUFTJMSA-N 0 0 586.734 4.459 3 0 KIAFRN C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307179 561754798 /nfs/dbraw/zinc/75/47/98/561754798.db2.gz RCCHDBDENYQPNM-HGFDUPGTSA-N 0 0 536.632 4.373 3 0 KIAFRN C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307181 561754777 /nfs/dbraw/zinc/75/47/77/561754777.db2.gz RCCHDBDENYQPNM-RQNHWEGSSA-N 0 0 536.632 4.373 3 0 KIAFRN C/C=C\C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307263 561754845 /nfs/dbraw/zinc/75/48/45/561754845.db2.gz HQLDBPUZEACBMO-ASAQPFGFSA-N 0 0 562.626 4.252 3 0 KIAFRN C/C=C\C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307266 561754873 /nfs/dbraw/zinc/75/48/73/561754873.db2.gz HQLDBPUZEACBMO-RVJZAQFXSA-N 0 0 562.626 4.252 3 0 KIAFRN C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307351 561754865 /nfs/dbraw/zinc/75/48/65/561754865.db2.gz HJSPJUWQYAEQFS-DPVWSDGSSA-N 0 0 550.615 4.086 3 0 KIAFRN C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1 ZINC000017307354 561754880 /nfs/dbraw/zinc/75/48/80/561754880.db2.gz HJSPJUWQYAEQFS-MEHHMRNRSA-N 0 0 550.615 4.086 3 0 KIAFRN NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccc(Cl)cc1 ZINC000017307373 561754946 /nfs/dbraw/zinc/75/49/46/561754946.db2.gz YNXJXNXYVPACCM-UFHPHHKVSA-N 0 0 567.429 4.274 3 0 KIAFRN NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccc(Cl)cc1 ZINC000017307377 561754931 /nfs/dbraw/zinc/75/49/31/561754931.db2.gz YNXJXNXYVPACCM-YWEHKCAJSA-N 0 0 567.429 4.274 3 0 KIAFRN NC(=O)[C@@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)COc1ccc(Cl)cc1 ZINC000017307393 561754969 /nfs/dbraw/zinc/75/49/69/561754969.db2.gz WXONOGSAHCJQKB-ABYGYWHVSA-N 0 0 597.455 4.039 3 0 KIAFRN NC(=O)[C@@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)COc1ccc(Cl)cc1 ZINC000017307398 561754944 /nfs/dbraw/zinc/75/49/44/561754944.db2.gz WXONOGSAHCJQKB-SVEHJYQDSA-N 0 0 597.455 4.039 3 0 KIAFRN C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307402 561754922 /nfs/dbraw/zinc/75/49/22/561754922.db2.gz DNQFBEJTLBDYIK-UIQXFBNSSA-N 0 0 536.632 4.373 3 0 KIAFRN C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307404 561754915 /nfs/dbraw/zinc/75/49/15/561754915.db2.gz DNQFBEJTLBDYIK-ORXYPAPZSA-N 0 0 536.632 4.373 3 0 KIAFRN C/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307446 561754920 /nfs/dbraw/zinc/75/49/20/561754920.db2.gz XQALPYAIBIAUPU-JWEDYSBVSA-N 0 0 536.632 4.373 3 0 KIAFRN C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@H]1C(N)=O ZINC000017307450 561754973 /nfs/dbraw/zinc/75/49/73/561754973.db2.gz XQALPYAIBIAUPU-KZVNXYEYSA-N 0 0 536.632 4.373 3 0 KIAFRN O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017434291 561755303 /nfs/dbraw/zinc/75/53/03/561755303.db2.gz KSOJQLYTOFJIQA-UHFFFAOYSA-N 0 0 542.655 4.302 3 0 KIAFRN O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544689 561755404 /nfs/dbraw/zinc/75/54/04/561755404.db2.gz CGWJDORVWUJCPV-AMGIVPHBSA-N 0 0 562.585 4.282 3 0 KIAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000017544693 561755379 /nfs/dbraw/zinc/75/53/79/561755379.db2.gz UADHBLLUIWPXPO-MOMDTQCHSA-N 0 0 587.511 4.271 3 0 KIAFRN O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544697 561755549 /nfs/dbraw/zinc/75/55/49/561755549.db2.gz YBIDQHLOERETCP-PZGXJGMVSA-N 0 0 550.677 4.477 3 0 KIAFRN O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544716 561755560 /nfs/dbraw/zinc/75/55/60/561755560.db2.gz IZLJQDMHULWICH-WXVAWEFUSA-N 0 0 573.484 4.025 3 0 KIAFRN CCO[C@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000017544719 561755557 /nfs/dbraw/zinc/75/55/57/561755557.db2.gz VDZIRWDDZHZACR-REYAJUCUSA-N 0 0 589.689 4.124 3 0 KIAFRN O=C(C1=C[C@@H](c2csc3ccccc32)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544731 561755515 /nfs/dbraw/zinc/75/55/15/561755515.db2.gz YBIDQHLOERETCP-MNNSJKJDSA-N 0 0 550.677 4.477 3 0 KIAFRN O=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544762 561755527 /nfs/dbraw/zinc/75/55/27/561755527.db2.gz OBNHTZXTXPJXEC-JTSJOTPCSA-N 0 0 542.632 4.183 3 0 KIAFRN O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544775 561755523 /nfs/dbraw/zinc/75/55/23/561755523.db2.gz OBNHTZXTXPJXEC-JOMNFKBKSA-N 0 0 542.632 4.183 3 0 KIAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000017544796 561755570 /nfs/dbraw/zinc/75/55/70/561755570.db2.gz VDZIRWDDZHZACR-YPMZNXIVSA-N 0 0 589.689 4.124 3 0 KIAFRN O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544811 561755478 /nfs/dbraw/zinc/75/54/78/561755478.db2.gz IZLJQDMHULWICH-AMGIVPHBSA-N 0 0 573.484 4.025 3 0 KIAFRN O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544823 561755614 /nfs/dbraw/zinc/75/56/14/561755614.db2.gz CGWJDORVWUJCPV-WXVAWEFUSA-N 0 0 562.585 4.282 3 0 KIAFRN CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000017544848 561755597 /nfs/dbraw/zinc/75/55/97/561755597.db2.gz UADHBLLUIWPXPO-NDDXJGTKSA-N 0 0 587.511 4.271 3 0 KIAFRN CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@H]1CCCO ZINC000017544861 561755671 /nfs/dbraw/zinc/75/56/71/561755671.db2.gz WDFTZHABIOMMJH-HNMNOHOESA-N 0 0 516.598 4.243 3 0 KIAFRN C[C@@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000017544896 561755639 /nfs/dbraw/zinc/75/56/39/561755639.db2.gz PILKLAZOIMQYSK-QUCCMNQESA-N 0 0 543.665 4.036 3 0 KIAFRN C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000017544930 561755624 /nfs/dbraw/zinc/75/56/24/561755624.db2.gz PILKLAZOIMQYSK-ICSRJNTNSA-N 0 0 543.665 4.036 3 0 KIAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000017544963 561755755 /nfs/dbraw/zinc/75/57/55/561755755.db2.gz AGHVQWLBIQDRAA-PMACEKPBSA-N 0 0 609.765 4.031 3 0 KIAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000017544968 561755782 /nfs/dbraw/zinc/75/57/82/561755782.db2.gz ZYQNHTKIMUNBEK-GOTSBHOMSA-N 0 0 643.782 4.228 3 0 KIAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000017544976 561755767 /nfs/dbraw/zinc/75/57/67/561755767.db2.gz JLUULHGEQBSZIV-SFHVURJKSA-N 0 0 550.056 4.451 3 0 KIAFRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000017544983 561755763 /nfs/dbraw/zinc/75/57/63/561755763.db2.gz YSDPPQVBTROWCC-QFIPXVFZSA-N 0 0 563.655 4.370 3 0 KIAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000017545632 561755844 /nfs/dbraw/zinc/75/58/44/561755844.db2.gz TVSFBIIWUUZRDD-MUUNZHRXSA-N 0 0 531.952 4.277 3 0 KIAFRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000017545635 561755930 /nfs/dbraw/zinc/75/59/30/561755930.db2.gz TVSFBIIWUUZRDD-NDEPHWFRSA-N 0 0 531.952 4.277 3 0 KIAFRN COc1cc(O)c([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000017545887 561756185 /nfs/dbraw/zinc/75/61/85/561756185.db2.gz SFHBBXFHIGOKAS-QHCPKHFHSA-N 0 0 536.625 4.306 3 0 KIAFRN COc1cc(O)c([C@H](CC(=O)N2CCN(c3ccccc3)CC2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000017545890 561756181 /nfs/dbraw/zinc/75/61/81/561756181.db2.gz SFHBBXFHIGOKAS-HSZRJFAPSA-N 0 0 536.625 4.306 3 0 KIAFRN COc1cc(OC)c([C@@H](CC(=O)N2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)ccc12 ZINC000017545935 561756252 /nfs/dbraw/zinc/75/62/52/561756252.db2.gz QMIQZQKVYNHIMN-QHCPKHFHSA-N 0 0 542.588 4.410 3 0 KIAFRN COc1cc(OC)c([C@H](CC(=O)N2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2oc(=O)ccc12 ZINC000017545938 561756227 /nfs/dbraw/zinc/75/62/27/561756227.db2.gz QMIQZQKVYNHIMN-HSZRJFAPSA-N 0 0 542.588 4.410 3 0 KIAFRN CCN(Cc1ccccc1)C(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1C ZINC000017546247 561756367 /nfs/dbraw/zinc/75/63/67/561756367.db2.gz OQCSIERDBKUGRH-QHCPKHFHSA-N 0 0 590.702 4.188 3 0 KIAFRN CC(=O)c1ccc(NC(=S)Nc2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1 ZINC000017596027 561756804 /nfs/dbraw/zinc/75/68/04/561756804.db2.gz KRZCXSGROUQHFY-UHFFFAOYSA-N 0 0 535.651 4.297 3 0 KIAFRN CCO[C@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@@H]1CCCO ZINC000034780448 562040558 /nfs/dbraw/zinc/04/05/58/562040558.db2.gz WDFTZHABIOMMJH-FONBTEPMSA-N 0 0 516.598 4.243 3 0 KIAFRN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000034892105 562044068 /nfs/dbraw/zinc/04/40/68/562044068.db2.gz OXHBYMSLAUUGIO-UHFFFAOYSA-N 0 0 515.582 4.071 3 0 KIAFRN CCOC(=O)C1=C(C2=CCCCC2)c2ccc(OC)cc2N(S(=O)(=O)C(F)(F)F)[C@@H]1C(=O)OCC ZINC000034960942 562044130 /nfs/dbraw/zinc/04/41/30/562044130.db2.gz UEROAVFODYXPKT-FQEVSTJZSA-N 0 0 517.522 4.114 3 0 KIAFRN CC[C@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382388 562059867 /nfs/dbraw/zinc/05/98/67/562059867.db2.gz QHZHBOHLABAHBP-OAQYLSRUSA-N 0 0 507.436 4.303 3 0 KIAFRN CC[C@@H]1Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000036382389 562059846 /nfs/dbraw/zinc/05/98/46/562059846.db2.gz QHZHBOHLABAHBP-NRFANRHFSA-N 0 0 507.436 4.303 3 0 KIAFRN COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382452 562059848 /nfs/dbraw/zinc/05/98/48/562059848.db2.gz QOXOJZBPAPHNKT-HHHXNRCGSA-N 0 0 520.637 4.382 3 0 KIAFRN COc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382453 562059857 /nfs/dbraw/zinc/05/98/57/562059857.db2.gz QOXOJZBPAPHNKT-MHZLTWQESA-N 0 0 520.637 4.382 3 0 KIAFRN CCOC(=O)c1ccccc1S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000036382631 562060025 /nfs/dbraw/zinc/06/00/25/562060025.db2.gz UONYMHZUNCSOPQ-UHFFFAOYSA-N 0 0 508.625 4.046 3 0 KIAFRN COc1ccc(CN([C@H](CO)CC(C)C)S(=O)(=O)N(Cc2ccccc2)[C@H](CO)CC(C)C)cc1 ZINC000036382991 562060018 /nfs/dbraw/zinc/06/00/18/562060018.db2.gz DLXJQCWKXYFUBB-UIOOFZCWSA-N 0 0 506.709 4.058 3 0 KIAFRN COC(=O)[C@@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)OC ZINC000036383015 562060035 /nfs/dbraw/zinc/06/00/35/562060035.db2.gz AHSUBAXPAFZLHU-WMPKNSHKSA-N 0 0 532.703 4.411 3 0 KIAFRN COC(=O)[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)OC ZINC000036383028 562060044 /nfs/dbraw/zinc/06/00/44/562060044.db2.gz AHSUBAXPAFZLHU-UIOOFZCWSA-N 0 0 532.703 4.411 3 0 KIAFRN COc1ccc(C2=NO[C@H](Cn3nc(C(=O)NCc4ccc5c(c4)OCO5)cc3-c3ccccc3)C2)cc1 ZINC000036384188 562060000 /nfs/dbraw/zinc/06/00/00/562060000.db2.gz XFLKYGAEYPGQNQ-QHCPKHFHSA-N 0 0 510.550 4.411 3 0 KIAFRN COc1ccc(C2=NO[C@@H](Cn3nc(C(=O)NCc4ccc5c(c4)OCO5)cc3-c3ccccc3)C2)cc1 ZINC000036384189 562060038 /nfs/dbraw/zinc/06/00/38/562060038.db2.gz XFLKYGAEYPGQNQ-HSZRJFAPSA-N 0 0 510.550 4.411 3 0 KIAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(-c4cccc(Cl)c4)cc3)N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]2C1=O ZINC000036386426 562060085 /nfs/dbraw/zinc/06/00/85/562060085.db2.gz PLNUHILROOYIMO-DOUCHOMGSA-N 0 0 502.998 4.427 3 0 KIAFRN CCCCCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC ZINC000036386468 562060058 /nfs/dbraw/zinc/06/00/58/562060058.db2.gz FCPOMOYQQNOUJW-TZKYFUQOSA-N 0 0 502.677 4.441 3 0 KIAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(SC3CCCCC3)c(OC)c1)N1CCCC[C@@]21C(=O)OC ZINC000036386491 562060114 /nfs/dbraw/zinc/06/01/14/562060114.db2.gz SAMGPVJLURRDON-TZKYFUQOSA-N 0 0 500.661 4.194 3 0 KIAFRN CCCCCCSc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1OC ZINC000036386530 562060084 /nfs/dbraw/zinc/06/00/84/562060084.db2.gz UDXAVYQNADPNOE-DOUCHOMGSA-N 0 0 524.683 4.397 3 0 KIAFRN CC[C@@H](C)Sc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1OC ZINC000036386550 562060100 /nfs/dbraw/zinc/06/01/00/562060100.db2.gz MTBPZOKZVSRBLN-FQXHTDITSA-N 0 0 510.656 4.006 3 0 KIAFRN CC[C@H](C)Sc1ccc([C@H]2N[C@@](Cc3ccccc3)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1OC ZINC000036386551 562060153 /nfs/dbraw/zinc/06/01/53/562060153.db2.gz MTBPZOKZVSRBLN-WDJWEFMZSA-N 0 0 510.656 4.006 3 0 KIAFRN COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036387251 562060249 /nfs/dbraw/zinc/06/02/49/562060249.db2.gz CYCXUSMVHLFPKX-XYNAZSQYSA-N 0 0 500.551 4.413 3 0 KIAFRN COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(OC)c(OC)cc3C(=O)N12 ZINC000036387254 562060224 /nfs/dbraw/zinc/06/02/24/562060224.db2.gz SYYQFYJXYDSARV-XYNAZSQYSA-N 0 0 500.551 4.413 3 0 KIAFRN COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000036388525 562060361 /nfs/dbraw/zinc/06/03/61/562060361.db2.gz GJBFFHHZJXHKOB-RBBKRZOGSA-N 0 0 522.598 4.063 3 0 KIAFRN COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000036388565 562060319 /nfs/dbraw/zinc/06/03/19/562060319.db2.gz SSOGQGRFDCWWTH-FXAWDEMLSA-N 0 0 500.979 4.309 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)c2)cc1)C1CCCC1 ZINC000036388849 562060356 /nfs/dbraw/zinc/06/03/56/562060356.db2.gz CHPXWVCKRXCCBB-XMMPIXPASA-N 0 0 530.669 4.470 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)c2)cc1)C1CCCC1 ZINC000036388850 562060307 /nfs/dbraw/zinc/06/03/07/562060307.db2.gz CHPXWVCKRXCCBB-DEOSSOPVSA-N 0 0 530.669 4.470 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)c2)cc1)C1CCCC1 ZINC000036388851 562060382 /nfs/dbraw/zinc/06/03/82/562060382.db2.gz HPRYUCPRKKAYIY-UHFFFAOYSA-N 0 0 530.669 4.470 3 0 KIAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C3CCC3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388852 562060363 /nfs/dbraw/zinc/06/03/63/562060363.db2.gz WZRAZQSJIIXGCS-XMMPIXPASA-N 0 0 516.642 4.081 3 0 KIAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C3CCC3)C2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388853 562060352 /nfs/dbraw/zinc/06/03/52/562060352.db2.gz WZRAZQSJIIXGCS-DEOSSOPVSA-N 0 0 516.642 4.081 3 0 KIAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCC3)CC2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388854 562060451 /nfs/dbraw/zinc/06/04/51/562060451.db2.gz ORLXORQEQGZPFP-UHFFFAOYSA-N 0 0 516.642 4.081 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCC4)C3)cc2)cc1)C1CC1 ZINC000036388855 562060460 /nfs/dbraw/zinc/06/04/60/562060460.db2.gz OYNWDXRAAUDHLY-HSZRJFAPSA-N 0 0 516.642 4.079 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CCC4)C3)cc2)cc1)C1CC1 ZINC000036388856 562060457 /nfs/dbraw/zinc/06/04/57/562060457.db2.gz OYNWDXRAAUDHLY-QHCPKHFHSA-N 0 0 516.642 4.079 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCC4)CC3)cc2)cc1)C1CC1 ZINC000036388857 562060461 /nfs/dbraw/zinc/06/04/61/562060461.db2.gz QBGHMKVNEKQQGQ-UHFFFAOYSA-N 0 0 516.642 4.079 3 0 KIAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000036388858 562060442 /nfs/dbraw/zinc/06/04/42/562060442.db2.gz BCZFLKNMJXVEKI-UHFFFAOYSA-N 0 0 530.669 4.471 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2)cc1)C1CC1 ZINC000036388859 562060446 /nfs/dbraw/zinc/06/04/46/562060446.db2.gz BXEPDDCGRCKMTJ-XMMPIXPASA-N 0 0 530.669 4.470 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)cc2)cc1)C1CC1 ZINC000036388860 562060444 /nfs/dbraw/zinc/06/04/44/562060444.db2.gz BXEPDDCGRCKMTJ-DEOSSOPVSA-N 0 0 530.669 4.470 3 0 KIAFRN CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)C4CCCC4)CC3)cc2)cc1)C1CC1 ZINC000036388861 562060458 /nfs/dbraw/zinc/06/04/58/562060458.db2.gz CFYLXMKEZBFDTN-UHFFFAOYSA-N 0 0 530.669 4.470 3 0 KIAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1 ZINC000038139173 562062513 /nfs/dbraw/zinc/06/25/13/562062513.db2.gz MHRNCJCMTJEVLK-DEOSSOPVSA-N 0 0 577.682 4.252 3 0 KIAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000038139176 562062496 /nfs/dbraw/zinc/06/24/96/562062496.db2.gz JLLNZDGFZZOTLU-NSOVKSMOSA-N 0 0 596.684 4.382 3 0 KIAFRN CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000038139177 562062511 /nfs/dbraw/zinc/06/25/11/562062511.db2.gz MWCLFXWKGXUFLG-DQEYMECFSA-N 0 0 562.667 4.186 3 0 KIAFRN CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000038139179 562062516 /nfs/dbraw/zinc/06/25/16/562062516.db2.gz YIMZMKFRACJFRM-ZEQRLZLVSA-N 0 0 643.782 4.433 3 0 KIAFRN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000038139181 562062465 /nfs/dbraw/zinc/06/24/65/562062465.db2.gz UDTXJTXINPAPQK-SVBPBHIXSA-N 0 0 596.684 4.177 3 0 KIAFRN O=C(NCc1ccccc1)c1onc(CS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000038140348 562062853 /nfs/dbraw/zinc/06/28/53/562062853.db2.gz WVWJDIQMXXWOBY-UHFFFAOYSA-N 0 0 523.998 4.162 3 0 KIAFRN O=S(=O)(N(Cc1ccccc1)[C@H](CO)Cc1ccccc1)N(Cc1ccccc1)[C@H](CO)Cc1ccccc1 ZINC000038143046 562063688 /nfs/dbraw/zinc/06/36/88/562063688.db2.gz LRHAXZCNARSWFB-ACHIHNKUSA-N 0 0 544.717 4.443 3 0 KIAFRN O=S(=O)(N(Cc1ccccc1)[C@@H](CO)Cc1ccccc1)N(Cc1ccccc1)[C@@H](CO)Cc1ccccc1 ZINC000038143049 562063703 /nfs/dbraw/zinc/06/37/03/562063703.db2.gz LRHAXZCNARSWFB-ROJLCIKYSA-N 0 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ZINC000038146523 562065202 /nfs/dbraw/zinc/06/52/02/562065202.db2.gz DRFDSNWZIRFTDE-ZBVBGGFBSA-N 0 0 516.602 4.016 3 0 KIAFRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000038146641 562065309 /nfs/dbraw/zinc/06/53/09/562065309.db2.gz OFVPTQYHBSAEHG-QHCPKHFHSA-N 0 0 577.682 4.047 3 0 KIAFRN CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000038146646 562065283 /nfs/dbraw/zinc/06/52/83/562065283.db2.gz BVYMSMFCBLNVNK-MHZLTWQESA-N 0 0 611.699 4.449 3 0 KIAFRN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c12 ZINC000038148319 562065751 /nfs/dbraw/zinc/06/57/51/562065751.db2.gz OKBVWFBSMQIDOQ-UHFFFAOYSA-N 0 0 531.661 4.131 3 0 KIAFRN Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000038150034 562066335 /nfs/dbraw/zinc/06/63/35/562066335.db2.gz AMZXRUUILHMEOH-UHFFFAOYSA-N 0 0 574.682 4.152 3 0 KIAFRN O=C(CCN1CCOCC1)Nc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000038150058 562066262 /nfs/dbraw/zinc/06/62/62/562066262.db2.gz INPSVFPWIRGRPK-GGAORHGYSA-N 0 0 576.097 4.039 3 0 KIAFRN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@]1(C)C(=O)N(c3cccc(F)c3)C(=O)N1[C@@H]2c1ccc(Br)cc1 ZINC000038151048 562066534 /nfs/dbraw/zinc/06/65/34/562066534.db2.gz XOTBBTXMLNNJSH-LLBQEJIASA-N 0 0 528.378 4.270 3 0 KIAFRN CC(C)C[C@H]1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000038151146 562066844 /nfs/dbraw/zinc/06/68/44/562066844.db2.gz GECGFTXMQCWJTH-OAQYLSRUSA-N 0 0 536.478 4.334 3 0 KIAFRN CC(C)C[C@@H]1Nc2ncnc(N3CCN(c4ccccn4)CC3)c2N(Cc2ccc(Br)cc2)C1=O ZINC000038151147 562066855 /nfs/dbraw/zinc/06/68/55/562066855.db2.gz GECGFTXMQCWJTH-NRFANRHFSA-N 0 0 536.478 4.334 3 0 KIAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)N23)cc1 ZINC000038152064 562067043 /nfs/dbraw/zinc/06/70/43/562067043.db2.gz MSKIBJAOBGMTBK-QIRMHMFVSA-N 0 0 529.515 4.396 3 0 KIAFRN Cc1cccc(N2C(=O)N3[C@H](c4ccc(Br)cc4)[C@@H]4C(=O)N(C(C)(C)C)C(=O)[C@@H]4[C@]3(C)C2=O)c1 ZINC000038152066 562067057 /nfs/dbraw/zinc/06/70/57/562067057.db2.gz MFXQSDZXRQRKKN-QIRMHMFVSA-N 0 0 524.415 4.439 3 0 KIAFRN Cc1ccc(N2C(=O)N3[C@H](c4ccc(Br)cc4)[C@@H]4C(=O)N(C(C)(C)C)C(=O)[C@@H]4[C@]3(C)C2=O)cc1 ZINC000038152071 562067051 /nfs/dbraw/zinc/06/70/51/562067051.db2.gz WGBWSMHIQRVTOQ-QIRMHMFVSA-N 0 0 524.415 4.439 3 0 KIAFRN CCN1C(=O)[C@@H]2[C@H](C1=O)[C@]1(Cc3ccccc3)C(=O)N(c3ccc(OC)cc3)C(=O)N1[C@@H]2c1ccc(C)cc1 ZINC000038152073 562067062 /nfs/dbraw/zinc/06/70/62/562067062.db2.gz SHOWMZUVSHDKOI-YSRRZRNESA-N 0 0 523.589 4.130 3 0 KIAFRN CC[C@@]12C(=O)N(c3ccc(OC)cc3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038152083 562067059 /nfs/dbraw/zinc/06/70/59/562067059.db2.gz LROIMBIPZOFZKS-YSRRZRNESA-N 0 0 523.589 4.477 3 0 KIAFRN COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4cccc(Br)c4)C(=O)N23)cc1 ZINC000038152089 562067067 /nfs/dbraw/zinc/06/70/67/562067067.db2.gz JJJOGNJVQXYNNV-QIRMHMFVSA-N 0 0 540.414 4.140 3 0 KIAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4ccc(C)cc4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C1=O ZINC000038152091 562067066 /nfs/dbraw/zinc/06/70/66/562067066.db2.gz UXFYEQYGSBBQIG-YSRRZRNESA-N 0 0 507.590 4.430 3 0 KIAFRN CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N3C(=O)N(c4cccc(C)c4)C(=O)[C@@]3(Cc3ccccc3)[C@H]2C1=O ZINC000038152099 562067044 /nfs/dbraw/zinc/06/70/44/562067044.db2.gz ACSYJSLKMGJKCX-YSRRZRNESA-N 0 0 507.590 4.430 3 0 KIAFRN COc1ccc(OCCNC(=O)c2ccc3nc(C)c(N(C)Cc4ccc(NC(C)=O)cc4)n3c2)cc1 ZINC000061896205 562702903 /nfs/dbraw/zinc/70/29/03/562702903.db2.gz WQZLTDLBJUPGJE-UHFFFAOYSA-N 0 0 501.587 4.055 3 0 KIAFRN CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061897843 562702907 /nfs/dbraw/zinc/70/29/07/562702907.db2.gz QMRHLPXDMHWSJR-UHFFFAOYSA-N 0 0 526.479 4.428 3 0 KIAFRN Cc1nc2ccc(C(=O)N3CCC(O)(Cc4ccccc4)CC3)cn2c1N(C)C(=O)CCc1ccccc1 ZINC000061908755 562703114 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/nfs/dbraw/zinc/70/31/99/562703199.db2.gz JNNBKPNBFVAELL-RUZDIDTESA-N 0 0 529.612 4.167 3 0 KIAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccc3ccccc32)C(=O)N1Cc1ccc(F)cc1 ZINC000061921708 562703220 /nfs/dbraw/zinc/70/32/20/562703220.db2.gz JNNBKPNBFVAELL-VWLOTQADSA-N 0 0 529.612 4.167 3 0 KIAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000061921890 562703233 /nfs/dbraw/zinc/70/32/33/562703233.db2.gz MNONGWKYCQMNSG-HHHXNRCGSA-N 0 0 521.702 4.387 3 0 KIAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000061921891 562703237 /nfs/dbraw/zinc/70/32/37/562703237.db2.gz MNONGWKYCQMNSG-MHZLTWQESA-N 0 0 521.702 4.387 3 0 KIAFRN CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921944 562703299 /nfs/dbraw/zinc/70/32/99/562703299.db2.gz JXQCDEOXZDTCLA-JOCHJYFZSA-N 0 0 523.699 4.233 3 0 KIAFRN CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921945 562703278 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RSKCWCXYRURJPB-HHHXNRCGSA-N 0 0 539.640 4.366 3 0 KIAFRN COc1cccc([C@@H](c2nnnn2-c2c(C)cccc2C)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c1OC ZINC000072134999 562727424 /nfs/dbraw/zinc/72/74/24/562727424.db2.gz RSKCWCXYRURJPB-MHZLTWQESA-N 0 0 539.640 4.366 3 0 KIAFRN CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C[C@H](C(=O)N3CCOCC3)[C@@]12C ZINC000072135058 562727466 /nfs/dbraw/zinc/72/74/66/562727466.db2.gz VINXSFWSZIPNAR-WHMROJOYSA-N 0 0 681.756 4.009 3 0 KIAFRN Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072135064 562727471 /nfs/dbraw/zinc/72/74/71/562727471.db2.gz CFHJUKUXDYAHMQ-NOUQMAPCSA-N 0 0 630.746 4.277 3 0 KIAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072135873 562727623 /nfs/dbraw/zinc/72/76/23/562727623.db2.gz TZTDSWIPDPRZBO-MUUNZHRXSA-N 0 0 547.681 4.175 3 0 KIAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1 ZINC000072135874 562727591 /nfs/dbraw/zinc/72/75/91/562727591.db2.gz TZTDSWIPDPRZBO-NDEPHWFRSA-N 0 0 547.681 4.175 3 0 KIAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072135943 562727653 /nfs/dbraw/zinc/72/76/53/562727653.db2.gz NBUFTQGSJYCKNE-AREMUKBSSA-N 0 0 554.776 4.091 3 0 KIAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072135944 562727647 /nfs/dbraw/zinc/72/76/47/562727647.db2.gz NBUFTQGSJYCKNE-SANMLTNESA-N 0 0 554.776 4.091 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccccc2OC(F)(F)F)CC1 ZINC000072135951 562727677 /nfs/dbraw/zinc/72/76/77/562727677.db2.gz HODOTLLHIOAMTF-SANMLTNESA-N 0 0 593.566 4.402 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccccc2OC(F)(F)F)CC1 ZINC000072135952 562727672 /nfs/dbraw/zinc/72/76/72/562727672.db2.gz HODOTLLHIOAMTF-AREMUKBSSA-N 0 0 593.566 4.402 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000072135992 562727718 /nfs/dbraw/zinc/72/77/18/562727718.db2.gz SBQMPWUQLTXEQU-OREGWCPLSA-N 0 0 550.700 4.062 3 0 KIAFRN COc1ccc([C@H](c2nnnn2-c2c(C)cccc2C)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072136031 562727711 /nfs/dbraw/zinc/72/77/11/562727711.db2.gz XJSNEBXJSTVPFC-HHHXNRCGSA-N 0 0 509.614 4.357 3 0 KIAFRN COc1ccc([C@@H](c2nnnn2-c2c(C)cccc2C)N2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000072136032 562727710 /nfs/dbraw/zinc/72/77/10/562727710.db2.gz XJSNEBXJSTVPFC-MHZLTWQESA-N 0 0 509.614 4.357 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072136092 562727752 /nfs/dbraw/zinc/72/77/52/562727752.db2.gz ZEYXPAMFFONSNY-SANMLTNESA-N 0 0 537.624 4.500 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072136093 562727741 /nfs/dbraw/zinc/72/77/41/562727741.db2.gz ZEYXPAMFFONSNY-AREMUKBSSA-N 0 0 537.624 4.500 3 0 KIAFRN COc1ccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)Nc2ccccc2F)[C@@H](C)CN([C@H](C)CO)S3(=O)=O)cc1 ZINC000072136178 562727787 /nfs/dbraw/zinc/72/77/87/562727787.db2.gz UGFMFKCPQSGLRF-ASHZAFPQSA-N 0 0 571.671 4.434 3 0 KIAFRN C[C@@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000072136197 562727772 /nfs/dbraw/zinc/72/77/72/562727772.db2.gz NHLIFEZGQBLULO-FVQSFXFKSA-N 0 0 639.749 4.018 3 0 KIAFRN Cc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072136201 562727782 /nfs/dbraw/zinc/72/77/82/562727782.db2.gz MJBQNSQAHLWSCB-MUUNZHRXSA-N 0 0 547.681 4.094 3 0 KIAFRN Cc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072136202 562727839 /nfs/dbraw/zinc/72/78/39/562727839.db2.gz MJBQNSQAHLWSCB-NDEPHWFRSA-N 0 0 547.681 4.094 3 0 KIAFRN COc1ccc(-n2nnnc2[C@@H](c2ccccc2OC(F)(F)F)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072136203 562727830 /nfs/dbraw/zinc/72/78/30/562727830.db2.gz JHIOGIFJPZXHHE-RUZDIDTESA-N 0 0 579.583 4.087 3 0 KIAFRN COc1ccc(-n2nnnc2[C@H](c2ccccc2OC(F)(F)F)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072136204 562727828 /nfs/dbraw/zinc/72/78/28/562727828.db2.gz JHIOGIFJPZXHHE-VWLOTQADSA-N 0 0 579.583 4.087 3 0 KIAFRN CC(C)[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072136216 562727814 /nfs/dbraw/zinc/72/78/14/562727814.db2.gz IXOVQQBNMRRHNG-HHHXNRCGSA-N 0 0 568.099 4.439 3 0 KIAFRN CC(C)[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072136217 562727829 /nfs/dbraw/zinc/72/78/29/562727829.db2.gz IXOVQQBNMRRHNG-MHZLTWQESA-N 0 0 568.099 4.439 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072136258 562727833 /nfs/dbraw/zinc/72/78/33/562727833.db2.gz CATZCRMZDWMYDX-YZZKKUAISA-N 0 0 550.578 4.352 3 0 KIAFRN CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000072136442 562727945 /nfs/dbraw/zinc/72/79/45/562727945.db2.gz JIAVSSUDHAOWLC-FVCFNFBRSA-N 0 0 575.587 4.175 3 0 KIAFRN CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072136477 562727975 /nfs/dbraw/zinc/72/79/75/562727975.db2.gz POWRFKXWLFAHTG-HVDUMEOTSA-N 0 0 690.241 4.252 3 0 KIAFRN CCCCn1nnnc1[C@@H](c1ccccc1OC(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000072136526 562728018 /nfs/dbraw/zinc/72/80/18/562728018.db2.gz GCEPXPDVHOUUGV-JOCHJYFZSA-N 0 0 515.540 4.441 3 0 KIAFRN CCCCn1nnnc1[C@H](c1ccccc1OC(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000072136527 562728002 /nfs/dbraw/zinc/72/80/02/562728002.db2.gz GCEPXPDVHOUUGV-QFIPXVFZSA-N 0 0 515.540 4.441 3 0 KIAFRN COc1cccc(-c2ccc3c(c2)O[C@H](CN(C)C(=O)c2ccccc2F)[C@H](C)CN([C@H](C)CO)S3(=O)=O)c1 ZINC000072136530 562728033 /nfs/dbraw/zinc/72/80/33/562728033.db2.gz TXBXSWUOPNBBNR-SEXOINJZSA-N 0 0 556.656 4.042 3 0 KIAFRN COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000072136621 562728060 /nfs/dbraw/zinc/72/80/60/562728060.db2.gz GQXBVQGPIPFIGI-UYPAYLBCSA-N 0 0 594.669 4.328 3 0 KIAFRN COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](C[N@H+](C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072136624 562728054 /nfs/dbraw/zinc/72/80/54/562728054.db2.gz VVRSDBHKTRDHNY-PFPZSTESSA-N 0 0 573.756 4.228 3 0 KIAFRN COc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)NC(C)C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072136751 562728120 /nfs/dbraw/zinc/72/81/20/562728120.db2.gz KYSKMGKJZXAZHD-UMDYSXRGSA-N 0 0 662.850 4.341 3 0 KIAFRN COc1ccc(-n2nnnc2[C@@H](c2cccc(OC)c2OC)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136806 562728124 /nfs/dbraw/zinc/72/81/24/562728124.db2.gz GLHQCCPIXAVDGV-MSMCMOKRSA-N 0 0 526.641 4.109 3 0 KIAFRN COc1ccc(-n2nnnc2[C@H](c2cccc(OC)c2OC)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136807 562728154 /nfs/dbraw/zinc/72/81/54/562728154.db2.gz GLHQCCPIXAVDGV-BJBDNRMUSA-N 0 0 526.641 4.109 3 0 KIAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@@H]1c1ccc(Br)cc1 ZINC000072136875 562728170 /nfs/dbraw/zinc/72/81/70/562728170.db2.gz NOALMRXOLLVLKV-GOSISDBHSA-N 0 0 515.223 4.447 3 0 KIAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Br)[C@H]1c1ccc(Br)cc1 ZINC000072136876 562728175 /nfs/dbraw/zinc/72/81/75/562728175.db2.gz NOALMRXOLLVLKV-SFHVURJKSA-N 0 0 515.223 4.447 3 0 KIAFRN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)NC1CCCCC1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000072137528 562728304 /nfs/dbraw/zinc/72/83/04/562728304.db2.gz BAFSYURTYUPOSR-HOOSLVGPSA-N 0 0 570.691 4.130 3 0 KIAFRN COc1ccc(-n2nnnc2[C@@H](c2cc3ccccc3o2)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000072137622 562728324 /nfs/dbraw/zinc/72/83/24/562728324.db2.gz WQVGBYADNVGPLO-HHHXNRCGSA-N 0 0 521.581 4.487 3 0 KIAFRN COc1ccc(-n2nnnc2[C@H](c2cc3ccccc3o2)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000072137623 562728334 /nfs/dbraw/zinc/72/83/34/562728334.db2.gz WQVGBYADNVGPLO-MHZLTWQESA-N 0 0 521.581 4.487 3 0 KIAFRN Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000072137640 562728318 /nfs/dbraw/zinc/72/83/18/562728318.db2.gz QLGOIVIMSDMGML-GDLZYMKVSA-N 0 0 544.663 4.345 3 0 KIAFRN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000072137641 562728307 /nfs/dbraw/zinc/72/83/07/562728307.db2.gz QLGOIVIMSDMGML-LJAQVGFWSA-N 0 0 544.663 4.345 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000072137761 562728403 /nfs/dbraw/zinc/72/84/03/562728403.db2.gz FECXZDROTYFREX-TWUWCHPWSA-N 0 0 580.682 4.318 3 0 KIAFRN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000072137774 562728416 /nfs/dbraw/zinc/72/84/16/562728416.db2.gz QYCSQYFCHVUDKG-XFAGBWLFSA-N 0 0 582.595 4.420 3 0 KIAFRN COc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cn1 ZINC000072137808 562728422 /nfs/dbraw/zinc/72/84/22/562728422.db2.gz VBEMOQZTQBRPMO-GDLZYMKVSA-N 0 0 580.755 4.128 3 0 KIAFRN COc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cn1 ZINC000072137809 562728405 /nfs/dbraw/zinc/72/84/05/562728405.db2.gz VBEMOQZTQBRPMO-LJAQVGFWSA-N 0 0 580.755 4.128 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccnc3ccccc32)CC1 ZINC000072137856 562728466 /nfs/dbraw/zinc/72/84/66/562728466.db2.gz BVHNBXSVAFRZOG-MUUNZHRXSA-N 0 0 516.609 4.339 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccnc3ccccc32)CC1 ZINC000072137857 562728435 /nfs/dbraw/zinc/72/84/35/562728435.db2.gz BVHNBXSVAFRZOG-NDEPHWFRSA-N 0 0 516.609 4.339 3 0 KIAFRN C(=C/c1ccccc1)\CN1CCN([C@@H](CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072137892 562728481 /nfs/dbraw/zinc/72/84/81/562728481.db2.gz IOMVWGLDRNDMSO-XFNDTEKISA-N 0 0 522.653 4.438 3 0 KIAFRN C(=C/c1ccccc1)\CN1CCN([C@H](CCc2ccccc2)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072137893 562728517 /nfs/dbraw/zinc/72/85/17/562728517.db2.gz IOMVWGLDRNDMSO-KJBIALHLSA-N 0 0 522.653 4.438 3 0 KIAFRN O=C(Cc1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072138157 562728661 /nfs/dbraw/zinc/72/86/61/562728661.db2.gz JXPWZEMTRCMXLW-UHFFFAOYSA-N 0 0 582.701 4.150 3 0 KIAFRN Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccccc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072138240 562728675 /nfs/dbraw/zinc/72/86/75/562728675.db2.gz VTLQQWCHKNNBKE-HOOSLVGPSA-N 0 0 564.643 4.319 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000072138270 562728687 /nfs/dbraw/zinc/72/86/87/562728687.db2.gz USZQTAPIKCIZCC-FYQCMVGJSA-N 0 0 557.736 4.335 3 0 KIAFRN CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000072138288 562728733 /nfs/dbraw/zinc/72/87/33/562728733.db2.gz FSQPYNIGXOWGHG-SSEXGKCCSA-N 0 0 590.750 4.241 3 0 KIAFRN CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000072138289 562728720 /nfs/dbraw/zinc/72/87/20/562728720.db2.gz FSQPYNIGXOWGHG-PMERELPUSA-N 0 0 590.750 4.241 3 0 KIAFRN C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072138300 562728747 /nfs/dbraw/zinc/72/87/47/562728747.db2.gz YXMZKKBYJQSMSA-STXHMFSFSA-N 0 0 594.450 4.400 3 0 KIAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000072138308 562728726 /nfs/dbraw/zinc/72/87/26/562728726.db2.gz LFAGSSMFMOSEKY-VJCDQNICSA-N 0 0 564.704 4.456 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1cccc3ccccc31)CC2 ZINC000072138318 562728740 /nfs/dbraw/zinc/72/87/40/562728740.db2.gz WTHSUPXCWJNQQZ-PMERELPUSA-N 0 0 573.657 4.105 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1cccc3ccccc31)CC2 ZINC000072138319 562728750 /nfs/dbraw/zinc/72/87/50/562728750.db2.gz WTHSUPXCWJNQQZ-SSEXGKCCSA-N 0 0 573.657 4.105 3 0 KIAFRN COc1ccc(S(=O)(=O)N(C)[C@H]2C[C@H]3c4cc(Oc5ccccc5C)ccc4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000072138328 562728723 /nfs/dbraw/zinc/72/87/23/562728723.db2.gz ORSNUMXCQREMAG-MKJLADKOSA-N 0 0 550.677 4.312 3 0 KIAFRN O=C(Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCc3ccccc3)C2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072138346 562728745 /nfs/dbraw/zinc/72/87/45/562728745.db2.gz WHNBLQNZVLLLLE-NDEPHWFRSA-N 0 0 582.701 4.150 3 0 KIAFRN O=C(Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072138347 562728746 /nfs/dbraw/zinc/72/87/46/562728746.db2.gz WHNBLQNZVLLLLE-MUUNZHRXSA-N 0 0 582.701 4.150 3 0 KIAFRN Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(C)(=O)=O)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000072138447 562728776 /nfs/dbraw/zinc/72/87/76/562728776.db2.gz RQLWEWIMGMJJKK-WKAQUBQDSA-N 0 0 538.691 4.091 3 0 KIAFRN C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000072138470 562728790 /nfs/dbraw/zinc/72/87/90/562728790.db2.gz UBGYELKIPOSVHJ-HSZRJFAPSA-N 0 0 564.756 4.154 3 0 KIAFRN C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000072138471 562728781 /nfs/dbraw/zinc/72/87/81/562728781.db2.gz UBGYELKIPOSVHJ-QHCPKHFHSA-N 0 0 564.756 4.154 3 0 KIAFRN CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCc2ccccn2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000072138522 562728819 /nfs/dbraw/zinc/72/88/19/562728819.db2.gz QVEOADVGYSAMNP-DUSFWOOLSA-N 0 0 543.712 4.193 3 0 KIAFRN CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000072138523 562728816 /nfs/dbraw/zinc/72/88/16/562728816.db2.gz QVEOADVGYSAMNP-QKVJJFNUSA-N 0 0 543.712 4.193 3 0 KIAFRN COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3)[C@H](C(C)C)C2=O)nn1 ZINC000072138539 562728815 /nfs/dbraw/zinc/72/88/15/562728815.db2.gz PZDPFXLVEJGBMX-AREMUKBSSA-N 0 0 610.564 4.071 3 0 KIAFRN COCOCCn1cc(CN2CCS(=O)(=O)N(Cc3ccc(-c4ccc(Cl)c(Cl)c4)cc3)[C@@H](C(C)C)C2=O)nn1 ZINC000072138540 562728824 /nfs/dbraw/zinc/72/88/24/562728824.db2.gz PZDPFXLVEJGBMX-SANMLTNESA-N 0 0 610.564 4.071 3 0 KIAFRN COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)N4CCN(c5ccccn5)CC4)c2C3=O)cc1OC ZINC000072138544 562728810 /nfs/dbraw/zinc/72/88/10/562728810.db2.gz SJSUBJQBKGAUJW-UHFFFAOYSA-N 0 0 569.639 4.105 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000072138576 562728817 /nfs/dbraw/zinc/72/88/17/562728817.db2.gz YIYUVUPPRNDUCC-LJAQVGFWSA-N 0 0 560.618 4.051 3 0 KIAFRN O=c1[nH]c2ccccc2n1C1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000072138577 562728805 /nfs/dbraw/zinc/72/88/05/562728805.db2.gz YIYUVUPPRNDUCC-GDLZYMKVSA-N 0 0 560.618 4.051 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000072139376 562728884 /nfs/dbraw/zinc/72/88/84/562728884.db2.gz OQKGFARZNITZFM-LZCXECNNSA-N 0 0 542.721 4.400 3 0 KIAFRN CCC/C=C/c1ccc(CN2[C@H](CC(C)C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000072139383 562728882 /nfs/dbraw/zinc/72/88/82/562728882.db2.gz MZWKBFRDBUWBCE-PMHUYKBPSA-N 0 0 539.702 4.322 3 0 KIAFRN CCC/C=C/c1ccc(CN2[C@@H](CC(C)C)C(=O)N(Cc3cn(Cc4ccco4)nn3)CCS2(=O)=O)cc1 ZINC000072139384 562728876 /nfs/dbraw/zinc/72/88/76/562728876.db2.gz MZWKBFRDBUWBCE-WZSLKZGSSA-N 0 0 539.702 4.322 3 0 KIAFRN C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000072139410 562728883 /nfs/dbraw/zinc/72/88/83/562728883.db2.gz YQDQDKPWWIESSG-LJQANCHMSA-N 0 0 573.597 4.168 3 0 KIAFRN C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000072139411 562728892 /nfs/dbraw/zinc/72/88/92/562728892.db2.gz YQDQDKPWWIESSG-IBGZPJMESA-N 0 0 573.597 4.168 3 0 KIAFRN COc1ccc(CN2C[C@H](COCc3ccccc3)Oc3cccc(N4CCCC4)c3S2(=O)=O)cc1 ZINC000072139468 562728917 /nfs/dbraw/zinc/72/89/17/562728917.db2.gz ZAPGPECATKDSCA-RUZDIDTESA-N 0 0 508.640 4.464 3 0 KIAFRN Cc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072139734 562729044 /nfs/dbraw/zinc/72/90/44/562729044.db2.gz KCFSFPVOCYNPHU-GDLZYMKVSA-N 0 0 561.708 4.484 3 0 KIAFRN Cc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072139735 562729058 /nfs/dbraw/zinc/72/90/58/562729058.db2.gz KCFSFPVOCYNPHU-LJAQVGFWSA-N 0 0 561.708 4.484 3 0 KIAFRN COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Nc4c(C)noc4C)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072139775 562729033 /nfs/dbraw/zinc/72/90/33/562729033.db2.gz GQXBVQGPIPFIGI-CUAXAMRHSA-N 0 0 594.669 4.328 3 0 KIAFRN COc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1OC ZINC000072139783 562729036 /nfs/dbraw/zinc/72/90/36/562729036.db2.gz LRDHMESMILWRRE-MUUNZHRXSA-N 0 0 607.733 4.193 3 0 KIAFRN COc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(Cc5ccco5)nn4)CCS3(=O)=O)cc2)cc1OC ZINC000072139784 562729052 /nfs/dbraw/zinc/72/90/52/562729052.db2.gz LRDHMESMILWRRE-NDEPHWFRSA-N 0 0 607.733 4.193 3 0 KIAFRN COc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(NC(=O)Cc4ccccc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000072139938 562729140 /nfs/dbraw/zinc/72/91/40/562729140.db2.gz CGYYYKYOQGTOJG-IQLGONJTSA-N 0 0 588.705 4.189 3 0 KIAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccco1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072140757 562729174 /nfs/dbraw/zinc/72/91/74/562729174.db2.gz NEMWPAYDTVUPCT-JYOXVXTISA-N 0 0 651.764 4.434 3 0 KIAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCCn2ccnc2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072140844 562729169 /nfs/dbraw/zinc/72/91/69/562729169.db2.gz JEFMCGHUPXBRIP-DPGKKZRPSA-N 0 0 644.817 4.015 3 0 KIAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCCn2ccnc2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072140845 562729153 /nfs/dbraw/zinc/72/91/53/562729153.db2.gz JEFMCGHUPXBRIP-DWGJTTELSA-N 0 0 644.817 4.015 3 0 KIAFRN COc1ccc(-n2nnnc2[C@@H](c2cccc3ccccc32)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140860 562729203 /nfs/dbraw/zinc/72/92/03/562729203.db2.gz NTXLFOPRZOOAPQ-GDLZYMKVSA-N 0 0 545.647 4.342 3 0 KIAFRN COc1ccc(-n2nnnc2[C@H](c2cccc3ccccc32)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072140861 562729220 /nfs/dbraw/zinc/72/92/20/562729220.db2.gz NTXLFOPRZOOAPQ-LJAQVGFWSA-N 0 0 545.647 4.342 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000072140877 562729213 /nfs/dbraw/zinc/72/92/13/562729213.db2.gz OXOKSLUAXXGJHB-PFPZSTESSA-N 0 0 550.700 4.062 3 0 KIAFRN COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072140957 562729245 /nfs/dbraw/zinc/72/92/45/562729245.db2.gz NKAYACXFODVFKC-ZONZVBGPSA-N 0 0 518.614 4.100 3 0 KIAFRN COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)O3)cc1 ZINC000072140964 562729252 /nfs/dbraw/zinc/72/92/52/562729252.db2.gz VJKFOJAZVSCRMT-ZQLNOWDWSA-N 0 0 604.704 4.318 3 0 KIAFRN O=C(Cc1ccc(NC(=O)C2CCN(C(=O)C3CCCCC3)CC2)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072141165 562729290 /nfs/dbraw/zinc/72/92/90/562729290.db2.gz DQMWXSDKRCVCRI-UHFFFAOYSA-N 0 0 560.695 4.098 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1C1CCCC1)c1cccc3ccccc31)CC2 ZINC000072141190 562729298 /nfs/dbraw/zinc/72/92/98/562729298.db2.gz WLVANEXILCIZLL-MHZLTWQESA-N 0 0 507.642 4.459 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1C1CCCC1)c1cccc3ccccc31)CC2 ZINC000072141191 562729310 /nfs/dbraw/zinc/72/93/10/562729310.db2.gz WLVANEXILCIZLL-HHHXNRCGSA-N 0 0 507.642 4.459 3 0 KIAFRN CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCCn2ccnc2)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C)C(C)C ZINC000072141225 562729324 /nfs/dbraw/zinc/72/93/24/562729324.db2.gz IHIAJXZBKDYNTL-KVUJLMPWSA-N 0 0 581.161 4.496 3 0 KIAFRN Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C(=O)C[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@H]34)[C@@H]2c2ccccc2F)cc1 ZINC000072141331 562729357 /nfs/dbraw/zinc/72/93/57/562729357.db2.gz IBTTZCHJQVZXKT-PBSZENBHSA-N 0 0 538.641 4.019 3 0 KIAFRN O=C(Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCc3ccccc3)C2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072141337 562729387 /nfs/dbraw/zinc/72/93/87/562729387.db2.gz OPPRDHOJHAOQKE-NDEPHWFRSA-N 0 0 582.701 4.150 3 0 KIAFRN O=C(Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3ccccc3)C2)c1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000072141338 562729363 /nfs/dbraw/zinc/72/93/63/562729363.db2.gz OPPRDHOJHAOQKE-MUUNZHRXSA-N 0 0 582.701 4.150 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1Cc1ccccc1)c1cccc3ccccc31)CC2 ZINC000072141342 562729382 /nfs/dbraw/zinc/72/93/82/562729382.db2.gz UKPDNXJADJQOLZ-GDLZYMKVSA-N 0 0 529.648 4.393 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1Cc1ccccc1)c1cccc3ccccc31)CC2 ZINC000072141343 562729390 /nfs/dbraw/zinc/72/93/90/562729390.db2.gz UKPDNXJADJQOLZ-LJAQVGFWSA-N 0 0 529.648 4.393 3 0 KIAFRN Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)Nc1ccc3c(c1)OCO3)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000072141348 562729354 /nfs/dbraw/zinc/72/93/54/562729354.db2.gz FWNRLHMZWCSDSM-QLODZENZSA-N 0 0 608.652 4.048 3 0 KIAFRN COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)O3)cc1 ZINC000072141674 562729443 /nfs/dbraw/zinc/72/94/43/562729443.db2.gz RHACVXVAMDOZEC-TWUWCHPWSA-N 0 0 614.696 4.019 3 0 KIAFRN CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072141690 562729426 /nfs/dbraw/zinc/72/94/26/562729426.db2.gz ZHSRIZHFKSSPTQ-KJXSYTNMSA-N 0 0 681.790 4.095 3 0 KIAFRN CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072141692 562729409 /nfs/dbraw/zinc/72/94/09/562729409.db2.gz ZHSRIZHFKSSPTQ-IOVYGBPGSA-N 0 0 681.790 4.095 3 0 KIAFRN COc1ccc(NC(=O)N(C)C[C@@H]2Oc3c(NC(=O)Nc4c(C)noc4C)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000072142697 562729598 /nfs/dbraw/zinc/72/95/98/562729598.db2.gz PDMFRYJUCGBJGU-RPPIVITFSA-N 0 0 594.669 4.328 3 0 KIAFRN CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072151425 562730071 /nfs/dbraw/zinc/73/00/71/562730071.db2.gz KEPORVKAWQLHNP-DLFSPHOZSA-N 0 0 659.872 4.483 3 0 KIAFRN COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(S(C)(=O)=O)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072152654 562730110 /nfs/dbraw/zinc/73/01/10/562730110.db2.gz BZEQKGPLESLWSU-IQGXZWDMSA-N 0 0 657.764 4.347 3 0 KIAFRN CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCOC)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072154463 562730136 /nfs/dbraw/zinc/73/01/36/562730136.db2.gz WXIOEBGXOAFWCR-WODKQQOUSA-N 0 0 669.779 4.174 3 0 KIAFRN CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C ZINC000072160853 562730221 /nfs/dbraw/zinc/73/02/21/562730221.db2.gz AKENVHYICAPHGR-QHCPKHFHSA-N 0 0 658.797 4.500 3 0 KIAFRN COC(=O)C1=C(C(=O)OC)[C@@H]2N(Cc3ccccc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(C(=O)c2ccc(Br)cc2)C3=N1 ZINC000072162155 562730201 /nfs/dbraw/zinc/73/02/01/562730201.db2.gz GRLNOWKABHIJLO-MPZZDHCUSA-N 0 0 658.505 4.176 3 0 KIAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000073297467 562737783 /nfs/dbraw/zinc/73/77/83/562737783.db2.gz LVPYKHIJGWIWMS-JSHCIARDSA-N 0 0 573.738 4.202 3 0 KIAFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000073297470 562737755 /nfs/dbraw/zinc/73/77/55/562737755.db2.gz LVPYKHIJGWIWMS-GTCVQAEESA-N 0 0 573.738 4.202 3 0 KIAFRN C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000073372293 562738459 /nfs/dbraw/zinc/73/84/59/562738459.db2.gz PKWNNBVYZCRORA-HNMNOHOESA-N 0 0 609.724 4.182 3 0 KIAFRN COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@](C)(O)O6)c2c1)O[C@@](C)(O)CC3=O ZINC000085558121 571782538 /nfs/dbraw/zinc/78/25/38/571782538.db2.gz VIFQAHKDYKZMMS-ROJLCIKYSA-N 0 0 606.580 4.453 3 0 endogenous,in-man KIAFRN COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@@](C)(O)O6)c2c1)O[C@@](C)(O)CC3=O ZINC000085558132 571782560 /nfs/dbraw/zinc/78/25/60/571782560.db2.gz VIFQAHKDYKZMMS-AJQTZOPKSA-N 0 0 606.580 4.453 3 0 endogenous,in-man KIAFRN COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@](C)(O)O6)c2c1)O[C@](C)(O)CC3=O ZINC000085558136 571782575 /nfs/dbraw/zinc/78/25/75/571782575.db2.gz VIFQAHKDYKZMMS-ZWXJPIIXSA-N 0 0 606.580 4.453 3 0 endogenous,in-man KIAFRN COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6c(c(O)c5c4OC)C(=O)C[C@@](C)(O)O6)c2c1)O[C@](C)(O)CC3=O ZINC000085558138 571782590 /nfs/dbraw/zinc/78/25/90/571782590.db2.gz VIFQAHKDYKZMMS-ACHIHNKUSA-N 0 0 606.580 4.453 3 0 endogenous,in-man KIAFRN NC(=O)[C@H](Cc1cc2ccccc2s1)NC(=O)[C@@H]1C[C@@]2(CC(c3cccc(NC(=O)[C@@H]4CCC(=O)N4)c3)=NO2)CN1C(=O)/C=C/Sc1ccccc1 ZINC000095545597 562758174 /nfs/dbraw/zinc/75/81/74/562758174.db2.gz HFATZERHDBZJKJ-WZUIKXDISA-N 0 0 736.876 4.101 3 0 KIAFRN CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095548663 562759362 /nfs/dbraw/zinc/75/93/62/562759362.db2.gz MBTPPISFJVPCFN-IOJBZXJBSA-N 0 0 780.923 4.116 3 0 KIAFRN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCCNC(=O)c2[nH]cnc2C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000095548766 562759447 /nfs/dbraw/zinc/75/94/47/562759447.db2.gz XJEIPMRMOWFALY-UHFFFAOYSA-N 0 0 758.837 4.237 3 0 KIAFRN CCN(C[C@H]1N[C@@](Cc2ccccc2)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095564674 562764391 /nfs/dbraw/zinc/76/43/91/562764391.db2.gz CMEDBMWORZOCTI-CSSWAUQYSA-N 0 0 651.785 4.292 3 0 KIAFRN CC(C)(C)OC(=O)N1CCCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095565744 562764702 /nfs/dbraw/zinc/76/47/02/562764702.db2.gz BMCFOHNLKRIWMC-SANMLTNESA-N 0 0 543.628 4.014 3 0 KIAFRN CC(C)(C)OC(=O)N1CCCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095565745 562764671 /nfs/dbraw/zinc/76/46/71/562764671.db2.gz BMCFOHNLKRIWMC-AREMUKBSSA-N 0 0 543.628 4.014 3 0 KIAFRN C[C@@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095565962 562764760 /nfs/dbraw/zinc/76/47/60/562764760.db2.gz MCGREOMKUHVQQT-FDJWOJMMSA-N 0 0 522.667 4.377 3 0 KIAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2cc(-c3cccc(C(=O)N(C)C)c3)ccc2S1(=O)=O ZINC000095566279 562764875 /nfs/dbraw/zinc/76/48/75/562764875.db2.gz SOMIDQFHXIBYTO-CJYOKPGZSA-N 0 0 612.724 4.127 3 0 KIAFRN CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@H](O)C3)ccc2S1(=O)=O ZINC000095566296 562764851 /nfs/dbraw/zinc/76/48/51/562764851.db2.gz JWQCWWBNCKQWMW-IEZKXTBUSA-N 0 0 502.677 4.195 3 0 KIAFRN O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCCC3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000095566338 562764923 /nfs/dbraw/zinc/76/49/23/562764923.db2.gz YVNIJQALCXVDQO-UHFFFAOYSA-N 0 0 560.695 4.098 3 0 KIAFRN C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2ncc(/C=C/c3ccccc3)cc2C1=O ZINC000095566342 562764898 /nfs/dbraw/zinc/76/48/98/562764898.db2.gz HITOKJYCRKZWGL-DWIXIZSHSA-N 0 0 520.674 4.446 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095566356 562764922 /nfs/dbraw/zinc/76/49/22/562764922.db2.gz VHGMYNONBKNGIE-ACSYHNTCSA-N 0 0 522.598 4.235 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)N3CCOCC3)C(=O)N(Cc3cccc4ccccc43)C1=CCC(C)(C)C2 ZINC000095566395 562764983 /nfs/dbraw/zinc/76/49/83/562764983.db2.gz CYRNAHBBDIFVPX-WVXBCFDCSA-N 0 0 504.627 4.301 3 0 KIAFRN CCc1ccc([C@H]2[C@@H]3C(=O)C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095566438 562765023 /nfs/dbraw/zinc/76/50/23/562765023.db2.gz WKCGHZGEVIMUQS-LDUMXIPTSA-N 0 0 542.657 4.314 3 0 KIAFRN C[C@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095566460 562764989 /nfs/dbraw/zinc/76/49/89/562764989.db2.gz MCGREOMKUHVQQT-VYCLJVNGSA-N 0 0 522.667 4.377 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2 ZINC000095566566 562765061 /nfs/dbraw/zinc/76/50/61/562765061.db2.gz ZMFGKKSRPHNDJA-IPBJYNAHSA-N 0 0 548.636 4.139 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@H](c1nnnn1C1CCCC1)c1ccccc1OC(F)(F)F)CC2 ZINC000095566683 562765214 /nfs/dbraw/zinc/76/52/14/562765214.db2.gz WLNBAYAMRZDCBI-QHCPKHFHSA-N 0 0 541.578 4.205 3 0 KIAFRN O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1C1CCCC1)c1ccccc1OC(F)(F)F)CC2 ZINC000095566684 562765217 /nfs/dbraw/zinc/76/52/17/562765217.db2.gz WLNBAYAMRZDCBI-HSZRJFAPSA-N 0 0 541.578 4.205 3 0 KIAFRN C[C@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095566733 562765212 /nfs/dbraw/zinc/76/52/12/562765212.db2.gz MCGREOMKUHVQQT-GDKKVTFASA-N 0 0 522.667 4.377 3 0 KIAFRN Cc1cccc(C)c1-n1nnnc1[C@@H](CCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000095566779 562765234 /nfs/dbraw/zinc/76/52/34/562765234.db2.gz BAYGPJHDEHGBJV-HHHXNRCGSA-N 0 0 521.669 4.382 3 0 KIAFRN Cc1cccc(C)c1-n1nnnc1[C@H](CCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000095566780 562765259 /nfs/dbraw/zinc/76/52/59/562765259.db2.gz BAYGPJHDEHGBJV-MHZLTWQESA-N 0 0 521.669 4.382 3 0 KIAFRN Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)NC3CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095566806 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O=C(Cc1cccc(NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000095568838 562766931 /nfs/dbraw/zinc/76/69/31/562766931.db2.gz DGHXQRNKSZTSLZ-UHFFFAOYSA-N 0 0 582.701 4.150 3 0 KIAFRN COc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)c2ccccc2F)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1 ZINC000095568846 562766956 /nfs/dbraw/zinc/76/69/56/562766956.db2.gz DRZOZWYIVFJQJF-OSOCVKALSA-N 0 0 556.656 4.042 3 0 KIAFRN CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OC)CCCCC=C3N(Cc3cccc4ccccc43)C2=O)CC1 ZINC000095568877 562767000 /nfs/dbraw/zinc/76/70/00/562767000.db2.gz SPXXNOWVHXWDAY-GOXGLGGOSA-N 0 0 561.679 4.496 3 0 KIAFRN C[C@@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095569057 562767139 /nfs/dbraw/zinc/76/71/39/562767139.db2.gz MCGREOMKUHVQQT-ZDJNHPEVSA-N 0 0 522.667 4.377 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccccc3)C1=CCCCC2 ZINC000095569092 562767200 /nfs/dbraw/zinc/76/72/00/562767200.db2.gz MGJXLAPIIOKKNS-HLADLETHSA-N 0 0 504.627 4.410 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCCCC2 ZINC000095569151 562767240 /nfs/dbraw/zinc/76/72/40/562767240.db2.gz METDZBZNZSAIIU-MNNSJKJDSA-N 0 0 514.663 4.265 3 0 KIAFRN Cc1ccccc1-c1ccc2c(c1)O[C@@H](C[N@H+](C)Cc1ccc(C(=O)[O-])cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095569193 562767233 /nfs/dbraw/zinc/76/72/33/562767233.db2.gz VHCZRFPKNWPULV-TYPXCFOJSA-N 0 0 552.693 4.261 3 0 KIAFRN C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3CO)ccc2S1(=O)=O ZINC000095569227 562767280 /nfs/dbraw/zinc/76/72/80/562767280.db2.gz MCGREOMKUHVQQT-ICTDUYRTSA-N 0 0 522.667 4.377 3 0 KIAFRN C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ncc(Br)cc2C1=O ZINC000095569242 562767322 /nfs/dbraw/zinc/76/73/22/562767322.db2.gz ZGYMPIINGMEVON-CKFHNAJUSA-N 0 0 559.383 4.247 3 0 KIAFRN Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](C2)C(=O)C[C@@H](c2ccccc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095569297 562767330 /nfs/dbraw/zinc/76/73/30/562767330.db2.gz IECLISPVMCZTRB-PVHODMMVSA-N 0 0 538.691 4.088 3 0 KIAFRN CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(Cc1ccccc1)C(=O)c1cc(OC)ccc12 ZINC000095569407 562767403 /nfs/dbraw/zinc/76/74/03/562767403.db2.gz WBPOXMIEQOANAH-OFSOJUDTSA-N 0 0 517.578 4.475 3 0 KIAFRN Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)C3CCCCC3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095569416 562767376 /nfs/dbraw/zinc/76/73/76/562767376.db2.gz QPBIQPRVMXVIJQ-HOOSLVGPSA-N 0 0 555.676 4.194 3 0 KIAFRN CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCC=C3N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000095569649 562767620 /nfs/dbraw/zinc/76/76/20/562767620.db2.gz NRZHXLDNTRWBMA-WINIVTDRSA-N 0 0 566.482 4.260 3 0 KIAFRN CC(=O)OC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@H](n2cnc3c2ncnc3NCc2ccco2)O1 ZINC000095569699 562767584 /nfs/dbraw/zinc/76/75/84/562767584.db2.gz CUEDHXZCYXKXPZ-LEWJYISDSA-N 0 0 530.507 4.013 3 0 KIAFRN C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095569707 562767615 /nfs/dbraw/zinc/76/76/15/562767615.db2.gz QWVYCAIWWIRMNW-PFPZSTESSA-N 0 0 544.652 4.252 3 0 KIAFRN C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2cccc(F)c2)Oc2ncc(/C=C/c3ccccc3)cc2C1=O ZINC000095569708 562767604 /nfs/dbraw/zinc/76/76/04/562767604.db2.gz IGHCBDMLOZTPMT-DZALSOJCSA-N 0 0 517.601 4.383 3 0 KIAFRN COc1ccccc1N1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccc(F)cc4)c2C3=O)CC1 ZINC000095569787 562767686 /nfs/dbraw/zinc/76/76/86/562767686.db2.gz NSOSCNLFQFQUHG-UHFFFAOYSA-N 0 0 585.657 4.468 3 0 KIAFRN CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3C(N)=O)ccc2S1(=O)=O ZINC000095569792 562767636 /nfs/dbraw/zinc/76/76/36/562767636.db2.gz MNJSKSJFAIJBKF-TUSQITKMSA-N 0 0 529.703 4.078 3 0 KIAFRN CCOC(=O)N1CCN(C(=O)C[C@@H]2C[C@@]3(C(=O)OCC)CCC=C3N(Cc3cccc4ccccc43)C2=O)CC1 ZINC000095569805 562767716 /nfs/dbraw/zinc/76/77/16/562767716.db2.gz JJKPNTLIYDUZEL-XJFCNFDWSA-N 0 0 547.652 4.106 3 0 KIAFRN O=C1NC[C@H](CCCCN2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095569820 562767717 /nfs/dbraw/zinc/76/77/17/562767717.db2.gz SZAKKRGVKFELHH-VMPREFPWSA-N 0 0 594.797 4.022 3 0 KIAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCCN1CCCC1=O ZINC000095569887 562767756 /nfs/dbraw/zinc/76/77/56/562767756.db2.gz UENMJVBNPYTCMD-HHHXNRCGSA-N 0 0 552.760 4.296 3 0 KIAFRN CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCCN1CCCC1=O ZINC000095569888 562767775 /nfs/dbraw/zinc/76/77/75/562767775.db2.gz UENMJVBNPYTCMD-MHZLTWQESA-N 0 0 552.760 4.296 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2 ZINC000095569898 562767776 /nfs/dbraw/zinc/76/77/76/562767776.db2.gz CDXVLPCJPCOIAW-MNNSJKJDSA-N 0 0 510.631 4.468 3 0 KIAFRN CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc32)[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000095569970 562767800 /nfs/dbraw/zinc/76/78/00/562767800.db2.gz FFYJKKJLJJRJJS-QNWDWTFCSA-N 0 0 516.619 4.093 3 0 KIAFRN COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(COC(=O)c4ccccc4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000095569981 562767796 /nfs/dbraw/zinc/76/77/96/562767796.db2.gz NKAYACXFODVFKC-PVHODMMVSA-N 0 0 518.614 4.100 3 0 KIAFRN CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](O)C3)ccc2S1(=O)=O ZINC000095570065 562767911 /nfs/dbraw/zinc/76/79/11/562767911.db2.gz JWQCWWBNCKQWMW-NQHRYMMQSA-N 0 0 502.677 4.195 3 0 KIAFRN Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095570074 562767893 /nfs/dbraw/zinc/76/78/93/562767893.db2.gz FDEGCWSJAFYFOL-RJYGXOMWSA-N 0 0 608.652 4.048 3 0 KIAFRN CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3C(N)=O)ccc2S1(=O)=O ZINC000095570078 562767912 /nfs/dbraw/zinc/76/79/12/562767912.db2.gz MNJSKSJFAIJBKF-ZODMCCGTSA-N 0 0 529.703 4.078 3 0 KIAFRN CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CCC2CCCCC2)C(=O)C(=O)N1CC1CCCCC1 ZINC000095570093 562767937 /nfs/dbraw/zinc/76/79/37/562767937.db2.gz AJNBAHVUOGJOFY-SVBPBHIXSA-N 0 0 544.781 4.120 3 0 KIAFRN O=C1NC[C@H](CCCCN2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095570102 562767906 /nfs/dbraw/zinc/76/79/06/562767906.db2.gz RLCDHGMJZGUXEB-KYJUHHDHSA-N 0 0 578.798 4.317 3 0 KIAFRN O=C1NC[C@H](CCCCN2C[C@H](Cc3ccc(O)cc3)N(CCC3CCCCC3)C(=O)C2=O)N(CC2CCCCC2)C1=O ZINC000095570145 562767978 /nfs/dbraw/zinc/76/79/78/562767978.db2.gz MLGKLDJPFOBBCV-VMPREFPWSA-N 0 0 594.797 4.022 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2 ZINC000095570372 562768110 /nfs/dbraw/zinc/76/81/10/562768110.db2.gz WHDDCXCOMAUWTN-WINIVTDRSA-N 0 0 510.612 4.149 3 0 KIAFRN CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@H](O)C3)ccc2S1(=O)=O ZINC000095570373 562768165 /nfs/dbraw/zinc/76/81/65/562768165.db2.gz JWQCWWBNCKQWMW-ZODMCCGTSA-N 0 0 502.677 4.195 3 0 KIAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc31)C(=O)[C@H](CC(=O)N1CCN(C(=O)C3CC3)CC1)C2 ZINC000095570533 562768280 /nfs/dbraw/zinc/76/82/80/562768280.db2.gz ZDBNWWWPSKQSPH-NYFMKLKXSA-N 0 0 557.691 4.277 3 0 KIAFRN Fc1ccccc1N1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095570619 562768319 /nfs/dbraw/zinc/76/83/19/562768319.db2.gz SKWRZZUJNWVORC-NDEPHWFRSA-N 0 0 523.572 4.032 3 0 KIAFRN Fc1ccccc1N1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095570620 562768324 /nfs/dbraw/zinc/76/83/24/562768324.db2.gz SKWRZZUJNWVORC-MUUNZHRXSA-N 0 0 523.572 4.032 3 0 KIAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095570846 562768582 /nfs/dbraw/zinc/76/85/82/562768582.db2.gz RZDYJWDDJBWPGT-WINIVTDRSA-N 0 0 510.612 4.149 3 0 KIAFRN COc1cc(CNc2ncnc3c2ncn3[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H](COC(C)=O)O2)cc(OC)c1OC ZINC000095570855 562768534 /nfs/dbraw/zinc/76/85/34/562768534.db2.gz HGEXIPHQWNUCKD-WIOPSUGQSA-N 0 0 630.624 4.446 3 0 KIAFRN CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095570875 562768590 /nfs/dbraw/zinc/76/85/90/562768590.db2.gz XXMUGWYLQOWUOL-IPBJYNAHSA-N 0 0 548.636 4.139 3 0 KIAFRN COc1ccc(-c2ccc(CN3[C@H](C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000095570901 562768610 /nfs/dbraw/zinc/76/86/10/562768610.db2.gz HGOPXZUQSRVLOQ-JOCHJYFZSA-N 0 0 551.713 4.097 3 0 KIAFRN COc1ccc(-c2ccc(CN3[C@@H](C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000095570902 562768614 /nfs/dbraw/zinc/76/86/14/562768614.db2.gz HGOPXZUQSRVLOQ-QFIPXVFZSA-N 0 0 551.713 4.097 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095570904 562768611 /nfs/dbraw/zinc/76/86/11/562768611.db2.gz GCCJSTUNBSXDET-WHLCRQNOSA-N 0 0 524.639 4.395 3 0 KIAFRN CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3C(N)=O)ccc2S1(=O)=O ZINC000095570911 562768593 /nfs/dbraw/zinc/76/85/93/562768593.db2.gz MNJSKSJFAIJBKF-GPUOULLFSA-N 0 0 529.703 4.078 3 0 KIAFRN COc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2F)O3)c1 ZINC000095570916 562768635 /nfs/dbraw/zinc/76/86/35/562768635.db2.gz VTGMGIZZWOATTF-UDCNLSRBSA-N 0 0 536.604 4.280 3 0 KIAFRN CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CC[C@@H](O)C3)ccc2S1(=O)=O ZINC000095571010 562768652 /nfs/dbraw/zinc/76/86/52/562768652.db2.gz JWQCWWBNCKQWMW-GPUOULLFSA-N 0 0 502.677 4.195 3 0 KIAFRN C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3CO)ccc2S1(=O)=O ZINC000095571030 562768745 /nfs/dbraw/zinc/76/87/45/562768745.db2.gz MCGREOMKUHVQQT-XCRWMPKNSA-N 0 0 522.667 4.377 3 0 KIAFRN CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3c(OC)cccc3OC)CC2)oc1-c1ccccc1 ZINC000095571032 562768741 /nfs/dbraw/zinc/76/87/41/562768741.db2.gz ZVFQUUYMSVCITQ-UHFFFAOYSA-N 0 0 527.643 4.457 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095571073 562768717 /nfs/dbraw/zinc/76/87/17/562768717.db2.gz MLDQYDLAZIZYCX-ONOMSOESSA-N 0 0 508.615 4.249 3 0 KIAFRN CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc3c(c2)OCO3)C1=O ZINC000095571079 562768768 /nfs/dbraw/zinc/76/87/68/562768768.db2.gz NXKNJAUCAMAFBD-MNNSJKJDSA-N 0 0 528.646 4.094 3 0 KIAFRN COc1ccc([C@H]2C[C@H](n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000095571089 562768803 /nfs/dbraw/zinc/76/88/03/562768803.db2.gz AYTFKLBGOPEIAE-PVHODMMVSA-N 0 0 518.614 4.100 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)C4CC4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=CCCCC2 ZINC000095571093 562768788 /nfs/dbraw/zinc/76/87/88/562768788.db2.gz KZYNUMWCFMSFBU-PBBNMVCDSA-N 0 0 576.521 4.430 3 0 KIAFRN O=C1NC[C@@H](CCCCN2C[C@H](Cc3ccc(O)cc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCC2CCCCC2)C1=O ZINC000095571156 562768860 /nfs/dbraw/zinc/76/88/60/562768860.db2.gz DFKLABAFMZSGNQ-IHLOFXLRSA-N 0 0 608.824 4.412 3 0 KIAFRN O=C(OCc1ccccc1)N1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095571162 562768838 /nfs/dbraw/zinc/76/88/38/562768838.db2.gz OQPQXTDADODUJZ-LJAQVGFWSA-N 0 0 563.618 4.026 3 0 KIAFRN O=C(OCc1ccccc1)N1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095571163 562768846 /nfs/dbraw/zinc/76/88/46/562768846.db2.gz OQPQXTDADODUJZ-GDLZYMKVSA-N 0 0 563.618 4.026 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CCOC(=O)[C@]12CCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095605644 562781632 /nfs/dbraw/zinc/78/16/32/562781632.db2.gz SRFUOHGDDORIIP-MNNSJKJDSA-N 0 0 512.647 4.115 3 0 KIAFRN COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCCCC2 ZINC000095605701 562781695 /nfs/dbraw/zinc/78/16/95/562781695.db2.gz OLCDMVPGPRYHJN-UVDDSOTQSA-N 0 0 564.635 4.105 3 0 KIAFRN CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000095605727 562781681 /nfs/dbraw/zinc/78/16/81/562781681.db2.gz GJPIZXPKHVWGFR-ONOMSOESSA-N 0 0 514.663 4.265 3 0 KIAFRN CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3C(N)=O)ccc2S1(=O)=O ZINC000095615246 562787179 /nfs/dbraw/zinc/78/71/79/562787179.db2.gz MNJSKSJFAIJBKF-SDUSCBPUSA-N 0 0 529.703 4.078 3 0 KIAFRN COc1ccc2c(c1)n(C)c1c2C2(CN(C(=O)c3cccc(F)c3)C2)CN(C(=O)c2cccc(F)c2)[C@H]1CO ZINC000095796314 562789105 /nfs/dbraw/zinc/78/91/05/562789105.db2.gz FZZVJYUQJZUIOK-VWLOTQADSA-N 0 0 531.559 4.048 3 0 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4.419 3 0 KIAFRN COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(C(=O)c2cnc(C)cn2)c2ccc(N3CCOCC3)cc2)cc1 ZINC000103055441 562814135 /nfs/dbraw/zinc/81/41/35/562814135.db2.gz HJGQMCMXDGKPAD-PMERELPUSA-N 0 0 562.630 4.419 3 0 KIAFRN COc1ccc(C2=Nc3ccccc3N(C(=O)Cc3cc(OC)cc(OC)c3)[C@@H]2C(=O)NC(C)C)cc1 ZINC000103121351 562814334 /nfs/dbraw/zinc/81/43/34/562814334.db2.gz ZTZBCIYMBVKRSQ-NDEPHWFRSA-N 0 0 501.583 4.316 3 0 KIAFRN COc1ccc(C2=Nc3ccccc3N(C(=O)Cc3cc(OC)cc(OC)c3)[C@H]2C(=O)NC(C)C)cc1 ZINC000103121353 562814332 /nfs/dbraw/zinc/81/43/32/562814332.db2.gz ZTZBCIYMBVKRSQ-MUUNZHRXSA-N 0 0 501.583 4.316 3 0 KIAFRN COCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)CC(C(=O)N2CCCCCC2)=C1C ZINC000169303407 562853199 /nfs/dbraw/zinc/85/31/99/562853199.db2.gz JIFOKTGSZBKVFG-RUZDIDTESA-N 0 0 505.659 4.408 3 0 KIAFRN COCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc32)CC(C(=O)N2CCCCCC2)=C1C ZINC000169303408 562853201 /nfs/dbraw/zinc/85/32/01/562853201.db2.gz JIFOKTGSZBKVFG-VWLOTQADSA-N 0 0 505.659 4.408 3 0 KIAFRN CC(C)(C)OC(=O)Nc1ccccc1-n1nnnc1[C@@H](C(=O)c1ccc(F)cc1)N1CCN(c2ccccn2)CC1 ZINC000169305331 562853422 /nfs/dbraw/zinc/85/34/22/562853422.db2.gz UYFDAUOQELEUIS-RUZDIDTESA-N 0 0 558.618 4.290 3 0 KIAFRN CC(C)(C)OC(=O)Nc1ccccc1-n1nnnc1[C@H](C(=O)c1ccc(F)cc1)N1CCN(c2ccccn2)CC1 ZINC000169305332 562853424 /nfs/dbraw/zinc/85/34/24/562853424.db2.gz UYFDAUOQELEUIS-VWLOTQADSA-N 0 0 558.618 4.290 3 0 KIAFRN Cc1ccccc1S(=O)(=O)N1C[C@@H]2[C@@H](C(=O)C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)[C@@H]1c1ccc(Cl)cc1 ZINC000169305446 562853445 /nfs/dbraw/zinc/85/34/45/562853445.db2.gz WDZLXOCDVQKIMS-PBSZENBHSA-N 0 0 549.048 4.405 3 0 KIAFRN CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC(C)C)CC1 ZINC000169339951 562860560 /nfs/dbraw/zinc/86/05/60/562860560.db2.gz BRZMGTUEHIOQQZ-XMMPIXPASA-N 0 0 514.548 4.325 3 0 KIAFRN CC(=O)N1CCC(C(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@H]2C(=O)NC(C)C)CC1 ZINC000169339953 562860538 /nfs/dbraw/zinc/86/05/38/562860538.db2.gz BRZMGTUEHIOQQZ-DEOSSOPVSA-N 0 0 514.548 4.325 3 0 KIAFRN Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]4[C@@H]3C[C@H]2c2cccs2)cc1 ZINC000169341156 562860738 /nfs/dbraw/zinc/86/07/38/562860738.db2.gz HGXRMJWLQJLRLU-KDHQNNTKSA-N 0 0 534.659 4.203 3 0 KIAFRN CC(C)C[C@H]1CN(CCCC[C@H]2CNC(=O)C(=O)N2CC2CCCCC2)C(=O)C(=O)N1CCC1CCCCC1 ZINC000199203051 562872939 /nfs/dbraw/zinc/87/29/39/562872939.db2.gz YEZSZTTZRGSEBG-SVBPBHIXSA-N 0 0 544.781 4.120 3 0 KIAFRN O=C1NC[C@@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CC2CCCCC2)C1=O ZINC000199226176 562872903 /nfs/dbraw/zinc/87/29/03/562872903.db2.gz MEUMQUWXMDIKNO-IHLOFXLRSA-N 0 0 578.798 4.317 3 0 KIAFRN