smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000085508552 291914136 /nfs/dbraw/zinc/91/41/36/291914136.db2.gz KWLOAKAXMOYBRK-AJXGXBJFSA-N -1 0 618.855 8.174 1 0 biogenic,in-vitro KKAFRM CC(C)Cc1cc(-c2oc3cc([O-])c4c(c3c(=O)c2O)O[C@H](CCO)CC4)cc(Cc2ccccc2)c1O ZINC000085569415 291913012 /nfs/dbraw/zinc/91/30/12/291913012.db2.gz VYPQCJGIEZUJSJ-QFIPXVFZSA-N -1 0 516.590 5.442 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12C[C@@H]3CC[C@H]4C[C@]5(O)OC[C@@]6(CC[C@H]([C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12)[C@]3(C)[C@H]46)[C@H]5C ZINC000085530837 291928093 /nfs/dbraw/zinc/92/80/93/291928093.db2.gz VDDKIMHOHSAHRK-HAVAHHHPSA-N -1 0 568.883 8.848 1 0 biogenic,in-vitro KKAFRM CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)[O-])CCc2c(CC)cccc2CC1 ZINC000085490713 291936923 /nfs/dbraw/zinc/93/69/23/291936923.db2.gz LVCNNFVAVNNRHK-ANPUYGAPSA-N -1 0 544.773 5.677 1 0 biogenic,in-vitro KKAFRM CO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C(=O)[O-])(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=C[C@](C)(CCC=C(C)C)O4 ZINC000095099601 291963633 /nfs/dbraw/zinc/96/36/33/291963633.db2.gz WRIWCDIPAFGNEY-WNKBGSFUSA-N -1 0 660.804 6.944 1 0 biogenic,in-vitro KKAFRM CO[C@]12CC[C@]3(CO1)[C@@H](CC[C@]1(C)[C@@H]3CC=C3[C@@H]4[C@@H](C)[C@H](C)C[C@@H](OC(=O)C=C(C)C)[C@]4(C(=O)[O-])CC[C@]31C)C2(C)C ZINC000095909999 291963645 /nfs/dbraw/zinc/96/36/45/291963645.db2.gz DBBHWBNNASFWLZ-SRYHQWCJSA-N -1 0 582.822 7.570 1 0 biogenic,in-vitro KKAFRM C[C@H]1[C@]2(O)CC[C@]3(CO)[C@@]1(CC[C@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]13C)[C@H](Cc1ccccc1)O2 ZINC000085530770 291987274 /nfs/dbraw/zinc/98/72/74/291987274.db2.gz OGDCURWIPCEPPD-VFXNMARCSA-N -1 0 592.861 7.625 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@H](O)CC[C@@H]2CC3 ZINC000085489152 291993025 /nfs/dbraw/zinc/99/30/25/291993025.db2.gz KILQECVZAWZXMT-JOUSQGOHSA-N -1 0 596.852 9.037 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12CC[C@]34CCC[C@@]1(CC[C@@]15CO[C@@](O)(C[C@H](O)[C@H]12)[C@@H]5C)[C@@]3(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]14 ZINC000085530839 517554847 /nfs/dbraw/zinc/55/48/47/517554847.db2.gz DYCKWDVVUXOKKV-KDRHHEHWSA-N -1 0 584.882 8.107 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1 ZINC000044352465 551089132 /nfs/dbraw/zinc/08/91/32/551089132.db2.gz REIGIHUHXDNPSA-HHHXNRCGSA-N -1 0 615.674 6.760 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@H](c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(Cl)cc2)cc1 ZINC000049878432 551089439 /nfs/dbraw/zinc/08/94/39/551089439.db2.gz MYFXPJIUHYQWRX-QHCPKHFHSA-N -1 0 559.009 7.061 1 0 KKAFRM Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1C(C)C ZINC000042889810 551089617 /nfs/dbraw/zinc/08/96/17/551089617.db2.gz MYYKZRMEYNXGOG-UHFFFAOYSA-N -1 0 581.660 7.804 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccccc3)cs2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000003933417 551089782 /nfs/dbraw/zinc/08/97/82/551089782.db2.gz SLYYRVVPLWMNPO-UHFFFAOYSA-N -1 0 537.685 7.310 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000261149908 551090780 /nfs/dbraw/zinc/09/07/80/551090780.db2.gz OPXLYXXPUMAKGR-RJWMVNQGSA-N -1 0 641.653 8.055 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(-c2cccs2)c1)[C@@H](CC(=O)[O-])CC3 ZINC000001490847 561676284 /nfs/dbraw/zinc/67/62/84/561676284.db2.gz ODZGZRHOEWCWAA-MRXNPFEDSA-N -1 0 500.041 5.980 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(ccn2C(=O)c2c(Cl)ccc(Cl)c2C(=O)[O-])c1 ZINC000001534746 561676737 /nfs/dbraw/zinc/67/67/37/561676737.db2.gz WYDDCASXOCGRQH-UHFFFAOYSA-N -1 0 521.404 6.307 1 0 KKAFRM COc1c(CC=C(C)C)c([O-])c([C@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660721 561679155 /nfs/dbraw/zinc/67/91/55/561679155.db2.gz BAXWGCKHMROHKQ-PZJWPPBQSA-N -1 0 570.679 5.684 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000003918454 561685420 /nfs/dbraw/zinc/68/54/20/561685420.db2.gz PGOLWKTUHWHYJS-KUAXMQRVSA-N -1 0 557.691 5.222 1 0 in-vivo KKAFRM CCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003919505 561685557 /nfs/dbraw/zinc/68/55/57/561685557.db2.gz RQIKFYJOEAESRB-UHFFFAOYSA-N -1 0 633.874 6.334 1 0 KKAFRM CCCc1nc(Cl)c(C(=O)NCC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003919506 561685583 /nfs/dbraw/zinc/68/55/83/561685583.db2.gz JXSVELIXKGZDRQ-UHFFFAOYSA-N -1 0 647.901 6.724 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)OC2CCCCC2)nc1C(=O)[O-] ZINC000003935660 561688441 /nfs/dbraw/zinc/68/84/41/561688441.db2.gz NVCMJDTXNXADGH-XZOQPEGZSA-N -1 0 538.645 5.047 1 0 KKAFRM CC(C)(O)c1ccc(CC[C@@H](SCC2(CC(=O)[O-])CC2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)cc1 ZINC000003938227 561688863 /nfs/dbraw/zinc/68/88/63/561688863.db2.gz KDIPHOWDGBZABT-XVMYRHOCSA-N -1 0 626.671 9.663 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000003942037 561689420 /nfs/dbraw/zinc/68/94/20/561689420.db2.gz MRFCFORIRNDBEX-UHFFFAOYSA-N -1 0 679.238 7.914 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000003941679 561689444 /nfs/dbraw/zinc/68/94/44/561689444.db2.gz PIOCNQRIEVKMPV-PMERELPUSA-N -1 0 539.701 6.200 1 0 KKAFRM CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccc(N)cc1 ZINC000003955073 561690867 /nfs/dbraw/zinc/69/08/67/561690867.db2.gz WPMLSGGBESQETR-LJAQVGFWSA-N -1 0 579.719 5.078 1 0 KKAFRM Cc1oc(C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1CNc1ccc(-c2ccc(OC(F)F)cc2)cc1 ZINC000003962751 561691322 /nfs/dbraw/zinc/69/13/22/561691322.db2.gz VJXINEDKRIUHMH-UHFFFAOYSA-N -1 0 526.561 5.896 1 0 KKAFRM CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000003977784 561692021 /nfs/dbraw/zinc/69/20/21/561692021.db2.gz RHYZIJMRTYNJHW-KAYWLYCHSA-N -1 0 543.635 6.292 3 0 in-man KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008020533 561703737 /nfs/dbraw/zinc/70/37/37/561703737.db2.gz BZNMNTXHUCVGAS-HSZRJFAPSA-N -1 0 504.505 5.434 3 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2-c2ccccc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008022145 561704179 /nfs/dbraw/zinc/70/41/79/561704179.db2.gz PPRZLDGUFXDLBE-GDLZYMKVSA-N -1 0 512.606 6.082 3 0 KKAFRM CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@H](C)O2)C[C@H]1C ZINC000008035448 561704400 /nfs/dbraw/zinc/70/44/00/561704400.db2.gz BBMULGJBVDDDNI-RKGMJKRLSA-N -1 0 590.798 5.842 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358105 561710118 /nfs/dbraw/zinc/71/01/18/561710118.db2.gz YQSQUWWQEJSFGZ-NDEPHWFRSA-N -1 0 541.648 6.214 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)C2CCCC2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358103 561710144 /nfs/dbraw/zinc/71/01/44/561710144.db2.gz ZRLJPCMXZJHLDP-HHHXNRCGSA-N -1 0 527.621 5.824 1 0 KKAFRM CC(C)(Oc1ccc(CCN(CCCCCC2CCCCC2)C(=O)Nc2ccc(F)cc2)cc1)C(=O)[O-] ZINC000012358142 561710332 /nfs/dbraw/zinc/71/03/32/561710332.db2.gz VVLHLZMVXTZBDF-UHFFFAOYSA-N -1 0 512.666 7.285 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)OC(C)C)C(=O)[O-])cc1 ZINC000012358140 561710336 /nfs/dbraw/zinc/71/03/36/561710336.db2.gz KLDMJDLANANFFR-NDEPHWFRSA-N -1 0 528.605 5.945 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1Cl ZINC000012358268 561710418 /nfs/dbraw/zinc/71/04/18/561710418.db2.gz JGKOULRFFRAIPG-RUZDIDTESA-N -1 0 512.027 6.957 1 0 KKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000012358252 561710424 /nfs/dbraw/zinc/71/04/24/561710424.db2.gz YJTYFVIOMCEYTG-UHFFFAOYSA-N -1 0 503.595 6.927 1 0 KKAFRM CCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358504 561710574 /nfs/dbraw/zinc/71/05/74/561710574.db2.gz KNXZBQQFZRNCJT-SANMLTNESA-N -1 0 524.038 6.396 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@](CCC)(C(=O)[O-])CC2 ZINC000012358553 561710588 /nfs/dbraw/zinc/71/05/88/561710588.db2.gz JHPUSZOXXQWTST-HKBQPEDESA-N -1 0 504.623 7.228 1 0 KKAFRM CCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358505 561710592 /nfs/dbraw/zinc/71/05/92/561710592.db2.gz KNXZBQQFZRNCJT-AREMUKBSSA-N -1 0 524.038 6.396 1 0 KKAFRM COC(=O)CCCCCCCOc1ccc(NC(=O)C2=C([O-])CN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000013440336 561712456 /nfs/dbraw/zinc/71/24/56/561712456.db2.gz WSHUYJLLUAMNGJ-UHFFFAOYSA-N -1 0 500.979 5.030 1 0 KKAFRM Cc1ccc(C2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4ccnc5ccccc54)cc3)C(=O)[O-])CCCC2)cc1 ZINC000013443119 561712976 /nfs/dbraw/zinc/71/29/76/561712976.db2.gz ZBHZITCABYHDJY-NDEPHWFRSA-N -1 0 521.617 5.419 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)C1(c2ccccc2)CCCCC1 ZINC000013443125 561712991 /nfs/dbraw/zinc/71/29/91/561712991.db2.gz FLZYYAISUQVFGM-NDEPHWFRSA-N -1 0 521.617 5.501 1 0 KKAFRM COc1ccc(CCOC2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473482 561714386 /nfs/dbraw/zinc/71/43/86/561714386.db2.gz NNLLZPXZTADUAZ-MHZLTWQESA-N -1 0 504.535 5.400 1 0 KKAFRM CCCC[C@@H](C(=O)[O-])n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(Cc2ccccc2)c1=O ZINC000013488126 561715512 /nfs/dbraw/zinc/71/55/12/561715512.db2.gz XJCSWVYUOWXVPM-NDEPHWFRSA-N -1 0 512.650 7.271 1 0 KKAFRM Cc1cc(NCc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)no1 ZINC000013492879 561716499 /nfs/dbraw/zinc/71/64/99/561716499.db2.gz FAXAQTJCDNWXMJ-UHFFFAOYSA-N -1 0 505.556 5.323 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000013494015 561716737 /nfs/dbraw/zinc/71/67/37/561716737.db2.gz RUABXPJGODIKDI-OAQYLSRUSA-N -1 0 507.211 6.094 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000013761378 561727803 /nfs/dbraw/zinc/72/78/03/561727803.db2.gz RZFXBBCSOPZCEJ-RMTZWNOUSA-N -1 0 529.121 6.114 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(C2CCCCCC2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000013761385 561727808 /nfs/dbraw/zinc/72/78/08/561727808.db2.gz PHPNJCKHSRLBDB-KWXIBIRDSA-N -1 0 514.751 6.231 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccccc2C)cc1-c1ccccc1)C(=O)[O-] ZINC000013533195 561717761 /nfs/dbraw/zinc/71/77/61/561717761.db2.gz ZTQZCCKWWMRVIS-NDEPHWFRSA-N -1 0 528.678 5.455 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000013537359 561718003 /nfs/dbraw/zinc/71/80/03/561718003.db2.gz LMAJEKVRQYZKMQ-NDEPHWFRSA-N -1 0 533.690 7.601 1 0 KKAFRM C/C(=C\C[C@H]1SC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1 ZINC000013558118 561719038 /nfs/dbraw/zinc/71/90/38/561719038.db2.gz BRXACRIEBINFKZ-JUOOZJFWSA-N -1 0 518.513 6.273 1 0 KKAFRM C/C(=C\C[C@H]1OC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccc(OCC(F)(F)F)cc3)oc2C)c1 ZINC000013558121 561719046 /nfs/dbraw/zinc/71/90/46/561719046.db2.gz ZURNZMQTIXFALO-KSBRZHAFSA-N -1 0 516.472 5.599 1 0 KKAFRM CCC[C@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761694 561728040 /nfs/dbraw/zinc/72/80/40/561728040.db2.gz QMJIUGVUFJPDBZ-JOCHJYFZSA-N -1 0 516.059 6.391 1 0 KKAFRM O=C([O-])C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 ZINC000013586610 561720509 /nfs/dbraw/zinc/72/05/09/561720509.db2.gz ZEWHUZLAFGAHQV-UHFFFAOYSA-N -1 0 516.368 6.836 1 0 KKAFRM O=C([O-])C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 ZINC000013586604 561720543 /nfs/dbraw/zinc/72/05/43/561720543.db2.gz ZGGLMGHJHZWEKX-UHFFFAOYSA-N -1 0 515.475 6.548 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C34CCC(CC3)CC4)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674742 561723834 /nfs/dbraw/zinc/72/38/34/561723834.db2.gz BXSYWNFICYSSKM-UHFFFAOYSA-N -1 0 501.671 6.731 1 0 KKAFRM Cc1c(CCSc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678391 561724319 /nfs/dbraw/zinc/72/43/19/561724319.db2.gz SYLPZJXUJQCIPH-UHFFFAOYSA-N -1 0 512.074 8.274 1 0 KKAFRM Cc1c(CCOc2ccc(CCC(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678403 561724421 /nfs/dbraw/zinc/72/44/21/561724421.db2.gz KWCFDBFXNMLARN-UHFFFAOYSA-N -1 0 524.060 7.880 1 0 KKAFRM O=C([O-])c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 ZINC000013726957 561725133 /nfs/dbraw/zinc/72/51/33/561725133.db2.gz HELIPPDLLRTGTL-SANMLTNESA-N -1 0 505.617 5.232 1 0 KKAFRM CCCCc1nc2ccc(N3CCCCS3(=O)=O)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732062 561725334 /nfs/dbraw/zinc/72/53/34/561725334.db2.gz LLHXOKABAVERBP-UHFFFAOYSA-N -1 0 517.651 5.722 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2cccc3c(NC(=O)CC(c4ccccc4)c4ccccc4)cccc32)c1C ZINC000013741068 561726018 /nfs/dbraw/zinc/72/60/18/561726018.db2.gz NRFGGDYWRISCMW-UHFFFAOYSA-N -1 0 525.630 6.406 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2ccno2)c1OC ZINC000013740546 561726061 /nfs/dbraw/zinc/72/60/61/561726061.db2.gz XBZIKKCTDXBIEW-SANMLTNESA-N -1 0 509.599 5.881 1 0 KKAFRM CCCCc1ccc(Cn2ccc3cc(/C(C)=C/C(=O)Nc4ccccc4OCCCC(=O)[O-])ccc32)cc1 ZINC000013742351 561726230 /nfs/dbraw/zinc/72/62/30/561726230.db2.gz RRFPFQDXEQURAF-DARPEHSRSA-N -1 0 524.661 7.318 1 0 KKAFRM CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744229 561726622 /nfs/dbraw/zinc/72/66/22/561726622.db2.gz QHGHGSBEVNMIQN-VWLOTQADSA-N -1 0 524.658 5.790 1 0 KKAFRM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000013756578 561727268 /nfs/dbraw/zinc/72/72/68/561727268.db2.gz KPHRDRFCGGZQJY-KPURRNSFSA-N -1 0 529.658 6.424 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(C)=O)cc1-c1ccccc1C)C(=O)[O-] ZINC000013802306 561730831 /nfs/dbraw/zinc/73/08/31/561730831.db2.gz CHDWTRUYQSFVEW-NDEPHWFRSA-N -1 0 524.727 5.917 1 0 KKAFRM Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(O[C@H](Cc4ccccc4)C(=O)[O-])cc3)cc2)c1C ZINC000013806770 561731475 /nfs/dbraw/zinc/73/14/75/561731475.db2.gz UBJAUPOCIDXIPS-WJOKGBTCSA-N -1 0 518.678 8.364 1 0 KKAFRM CCCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013817687 561732217 /nfs/dbraw/zinc/73/22/17/561732217.db2.gz JOZJWMSTRAKGKY-QFIPXVFZSA-N -1 0 513.421 5.932 1 0 KKAFRM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000014943346 561741483 /nfs/dbraw/zinc/74/14/83/561741483.db2.gz VEXRXPAIHVICKW-RCRUUEGKSA-N -1 0 559.684 6.433 1 0 KKAFRM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000014943347 561741509 /nfs/dbraw/zinc/74/15/09/561741509.db2.gz VEXRXPAIHVICKW-SMSORMJASA-N -1 0 559.684 6.433 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccccn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000013832960 561733710 /nfs/dbraw/zinc/73/37/10/561733710.db2.gz JCOCZQSVHAQHNW-GOSISDBHSA-N -1 0 521.082 7.007 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(CSc3ccccc3)nc2/C=C/C(=O)[O-])cc1 ZINC000013833521 561733845 /nfs/dbraw/zinc/73/38/45/561733845.db2.gz IEAWAELQXKPWMK-XUTLUUPISA-N -1 0 505.680 7.442 1 0 KKAFRM Cc1cc(-c2nc(C(F)(F)F)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc(C)c1F ZINC000013833940 561733982 /nfs/dbraw/zinc/73/39/82/561733982.db2.gz BNJTUCRVQVPSJG-RTBURBONSA-N -1 0 512.475 5.108 1 0 KKAFRM CC(=O)OC[C@]12CC[C@@H](O)C(C)(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)[O-])CC[C@]21C ZINC000013978526 561735876 /nfs/dbraw/zinc/73/58/76/561735876.db2.gz FHWNEUNAQWTXBE-QMHNVBCKSA-N -1 0 514.747 6.777 1 0 KKAFRM CC(=O)OC[C@@]1(C(=O)[O-])CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000013978764 561736011 /nfs/dbraw/zinc/73/60/11/561736011.db2.gz OAQRUWHTUDPXEM-GGRMVGSXSA-N -1 0 504.664 5.190 1 0 KKAFRM COc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1OC ZINC000014943440 561741666 /nfs/dbraw/zinc/74/16/66/561741666.db2.gz DXPPSGZWDKIKAH-AREMUKBSSA-N -1 0 539.650 5.364 1 0 KKAFRM Cc1cccc(C)c1S(=O)(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000014943424 561741672 /nfs/dbraw/zinc/74/16/72/561741672.db2.gz IGPFSCHANMGPFR-RUZDIDTESA-N -1 0 507.652 5.964 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5c(C/C=C(\C)CCC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000014127892 561736822 /nfs/dbraw/zinc/73/68/22/561736822.db2.gz MLWNTYYGBNTWKM-HQOLLZNSSA-N -1 0 616.663 6.400 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000014276484 561738821 /nfs/dbraw/zinc/73/88/21/561738821.db2.gz NWYFRVGJVQHAJF-JOMNFKBKSA-N -1 0 631.710 5.752 1 0 KKAFRM CC(=O)c1c(O)c(C)c(O)c(Cc2c3c(c([O-])c4c2O[C@@H](c2ccccc2)CC4=O)C=CC(C)(C)O3)c1O ZINC000014557541 561739714 /nfs/dbraw/zinc/73/97/14/561739714.db2.gz AKTBFFHJRRKAMX-OAQYLSRUSA-N -1 0 516.546 5.502 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC2CCCC2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946768 561744320 /nfs/dbraw/zinc/74/43/20/561744320.db2.gz AMVDOBISLYZBFC-YTTGMZPUSA-N -1 0 604.769 6.338 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946776 561744347 /nfs/dbraw/zinc/74/43/47/561744347.db2.gz LLBMYBKLRLGOHL-LJAQVGFWSA-N -1 0 564.704 5.414 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952792 561746394 /nfs/dbraw/zinc/74/63/94/561746394.db2.gz CQVSNNWJZWEETM-UNMCSNQZSA-N -1 0 503.609 5.300 1 0 in-vitro KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4c(cccc4C(F)(F)F)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955186 561747309 /nfs/dbraw/zinc/74/73/09/561747309.db2.gz FJYBXGOSBILOMX-PZJWPPBQSA-N -1 0 571.606 6.318 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000014963608 561749178 /nfs/dbraw/zinc/74/91/78/561749178.db2.gz FMUNWFDXIYAKEU-SANMLTNESA-N -1 0 567.900 7.486 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1 ZINC000014967803 561750210 /nfs/dbraw/zinc/75/02/10/561750210.db2.gz PNRWKVJLHGHICL-KAYWLYCHSA-N -1 0 558.650 6.314 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2Br)ccc1O ZINC000014969105 561750557 /nfs/dbraw/zinc/75/05/57/561750557.db2.gz RTHIDWPAXBKXPV-HSZRJFAPSA-N -1 0 577.269 6.318 1 0 KKAFRM CCCc1cc(-c2nc3c(s2)CCCO3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977162 561752248 /nfs/dbraw/zinc/75/22/48/561752248.db2.gz DDAMWXQFEJPURM-FQEVSTJZSA-N -1 0 507.652 6.440 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988335 561764507 /nfs/dbraw/zinc/76/45/07/561764507.db2.gz NCWXRZLEODZYTE-YKILCQELSA-N -1 0 570.774 7.127 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3C(F)(F)F)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026011444 561765825 /nfs/dbraw/zinc/76/58/25/561765825.db2.gz ISLPXYUADRUJGE-NDEPHWFRSA-N -1 0 597.655 7.594 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccncc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026012175 561765962 /nfs/dbraw/zinc/76/59/62/561765962.db2.gz LHMOVHABFVYLCF-MHZLTWQESA-N -1 0 530.646 5.970 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(N(C)C)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026014666 561766167 /nfs/dbraw/zinc/76/61/67/561766167.db2.gz GLENTBWEHGHDCL-PMERELPUSA-N -1 0 572.727 6.641 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(Cl)c(F)c3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026015281 561766251 /nfs/dbraw/zinc/76/62/51/561766251.db2.gz MXTDFFWHYKUZFS-NDEPHWFRSA-N -1 0 582.093 7.367 1 0 KKAFRM CCc1nc(C2CC2)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026169310 561769726 /nfs/dbraw/zinc/76/97/26/561769726.db2.gz AAODMQBTFSFVGS-UHFFFAOYSA-N -1 0 625.467 6.168 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Oc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026172231 561770157 /nfs/dbraw/zinc/77/01/57/561770157.db2.gz QETNPKWOLZTWCI-IHLOFXLRSA-N -1 0 566.654 5.585 1 0 KKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CS(=O)(=O)[C@@H]1c1cccnc1 ZINC000026172710 561770236 /nfs/dbraw/zinc/77/02/36/561770236.db2.gz IHKJRADEMBOYGC-RMZINKPKSA-N -1 0 505.636 5.621 1 0 KKAFRM O=C([O-])CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CS(=O)(=O)[C@@H]1c1cccnc1 ZINC000026178664 561771343 /nfs/dbraw/zinc/77/13/43/561771343.db2.gz IHKJRADEMBOYGC-SJKZHLFISA-N -1 0 505.636 5.621 1 0 KKAFRM CCCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026295677 561781454 /nfs/dbraw/zinc/78/14/54/561781454.db2.gz WZWUTWJBFAVKER-UHFFFAOYSA-N -1 0 563.540 5.355 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026284389 561779570 /nfs/dbraw/zinc/77/95/70/561779570.db2.gz NJZDHTZXUJKBEC-LNNPCWNNSA-N -1 0 564.830 9.416 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)c1ccoc1 ZINC000026376068 561781907 /nfs/dbraw/zinc/78/19/07/561781907.db2.gz DNVZRTCDKDRZAF-UHFFFAOYSA-N -1 0 581.647 5.513 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000026390014 561785520 /nfs/dbraw/zinc/78/55/20/561785520.db2.gz CLFPRXYAWSKZIE-UBLBHNSASA-N -1 0 721.697 5.638 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCCC1)C(=O)[O-] ZINC000026392013 561786071 /nfs/dbraw/zinc/78/60/71/561786071.db2.gz ZYABEFSJBSSQOX-YJHFSHLRSA-N -1 0 616.203 5.140 1 0 KKAFRM CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(ccc(OCCC)c2C(=O)[O-])[n+]1[O-] ZINC000026394086 561786414 /nfs/dbraw/zinc/78/64/14/561786414.db2.gz HWNWGLXMVIOQSQ-UHFFFAOYSA-N -1 0 540.580 5.337 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccc(C)cc2)cc1)C(C)(C)C ZINC000026396223 561787042 /nfs/dbraw/zinc/78/70/42/561787042.db2.gz WNPLPMIXLXNWFU-XZWHSSHBSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2F)cc1)C(C)(C)C ZINC000026397282 561787294 /nfs/dbraw/zinc/78/72/94/561787294.db2.gz PPTRNTHJEHNDDP-XRKRLSELSA-N -1 0 566.654 5.713 1 0 KKAFRM CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCOc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1 ZINC000026402209 561788660 /nfs/dbraw/zinc/78/86/60/561788660.db2.gz NQECQHIRGFLISY-ILFWFZRHSA-N -1 0 656.760 6.395 1 0 KKAFRM CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CCCCOc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1 ZINC000026402205 561788662 /nfs/dbraw/zinc/78/86/62/561788662.db2.gz NQECQHIRGFLISY-JUKUECOXSA-N -1 0 656.760 6.395 1 0 KKAFRM CC(C)O[C@H](Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)[O-] ZINC000026403462 561789110 /nfs/dbraw/zinc/78/91/10/561789110.db2.gz POVZJFCCQNWRJN-GOSISDBHSA-N -1 0 518.410 5.774 1 0 KKAFRM COc1cc(F)cc(-c2ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000026483109 561792003 /nfs/dbraw/zinc/79/20/03/561792003.db2.gz WMIVVKOPWUGPIJ-RPBOFIJWSA-N -1 0 595.476 5.293 1 0 KKAFRM COc1cccc(F)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026489961 561793153 /nfs/dbraw/zinc/79/31/53/561793153.db2.gz XPCUQSICXDXCSH-LXFBAYGMSA-N -1 0 609.503 5.684 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(/C=C(\CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000026493207 561793793 /nfs/dbraw/zinc/79/37/93/561793793.db2.gz JPSCCMKUHYXOTC-LOBFVOGUSA-N -1 0 514.622 5.778 1 0 KKAFRM Cn1nnnc1-c1cccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCC2)c1 ZINC000026503728 561796108 /nfs/dbraw/zinc/79/61/08/561796108.db2.gz PYGLVDAJIZZAIX-VWLOTQADSA-N -1 0 621.525 5.351 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)C[C@@H](NC(=O)Cc3ccccc3)C(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026506600 561796626 /nfs/dbraw/zinc/79/66/26/561796626.db2.gz LGJQOMCSCMEKPW-MGBGTMOVSA-N -1 0 750.080 10.310 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OS(=O)(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)sc2c1 ZINC000026569690 561797759 /nfs/dbraw/zinc/79/77/59/561797759.db2.gz PFQYGPGTYBSKIC-UHFFFAOYSA-N -1 0 716.473 9.185 1 0 KKAFRM O=C(Nc1ccc(Sc2nc3ccccc3s2)c(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026571199 561798209 /nfs/dbraw/zinc/79/82/09/561798209.db2.gz IXGXJDIVBXQPOH-UHFFFAOYSA-N -1 0 515.365 7.731 1 0 KKAFRM O=C(N[C@H](Cc1ccccc1)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl)OCc1ccccc1 ZINC000026575317 561799138 /nfs/dbraw/zinc/79/91/38/561799138.db2.gz TYVSTQDBNZZFDO-JGCGQSQUSA-N -1 0 673.187 8.391 1 0 KKAFRM O=C1N(Cc2ccc(CO)cc2)[C@@H](Cc2ccccc2)P(=O)([O-])[C@H](Cc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000026576333 561800124 /nfs/dbraw/zinc/80/01/24/561800124.db2.gz QBVMMOUPVGHZQI-ROJLCIKYSA-N -1 0 570.626 5.517 1 0 KKAFRM CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(I)cc1C(=O)[O-] ZINC000026579576 561804937 /nfs/dbraw/zinc/80/49/37/561804937.db2.gz KCNHWCQITOSLHA-UHFFFAOYSA-N -1 0 554.392 5.038 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000026658172 561809817 /nfs/dbraw/zinc/80/98/17/561809817.db2.gz GMAGXLXHYHPQGA-HHHUCYGISA-N -1 0 698.764 5.423 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000026658161 561809839 /nfs/dbraw/zinc/80/98/39/561809839.db2.gz GMAGXLXHYHPQGA-BAECYATFSA-N -1 0 698.764 5.423 1 0 KKAFRM CCCCc1ccc(CN2c3ccccc3[C@@](c3ccccc3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000026666387 561811332 /nfs/dbraw/zinc/81/13/32/561811332.db2.gz LTFMLNPARFSYNA-FJQKOURKSA-N -1 0 564.686 5.348 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2cc4ccccc4cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026666973 561811382 /nfs/dbraw/zinc/81/13/82/561811382.db2.gz DQPPQABLZMJYBU-FQEVSTJZSA-N -1 0 571.142 8.160 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2cccc(-c4ccccc4)n2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667716 561811584 /nfs/dbraw/zinc/81/15/84/561811584.db2.gz SYQXGAHLSODHJW-JOCHJYFZSA-N -1 0 597.180 8.674 1 0 KKAFRM COc1cccc(Cn2c3ccc(OCc4ccc(-c5ccccc5)cn4)c4c3c(c2CC(C)(C)C(=O)[O-])S[C@H](C)C4)c1 ZINC000026667970 561811648 /nfs/dbraw/zinc/81/16/48/561811648.db2.gz RBBJYTRZLITXEF-HSZRJFAPSA-N -1 0 592.761 8.029 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCC(=O)[O-])c3S1 ZINC000026674716 561813654 /nfs/dbraw/zinc/81/36/54/561813654.db2.gz XGUISSUADLAFHZ-NRFANRHFSA-N -1 0 569.126 8.038 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000026726581 561815996 /nfs/dbraw/zinc/81/59/96/561815996.db2.gz ADTCOWNUGMDJTK-KFEGCPKCSA-N -1 0 545.639 6.960 1 0 KKAFRM CCCCN(C)C(=O)CCCCCCCCCC[C@@H](c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)[O-])cc1C ZINC000026729764 561816604 /nfs/dbraw/zinc/81/66/04/561816604.db2.gz VURXPVGLFFQSLT-HKBQPEDESA-N -1 0 581.838 8.887 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1SCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026734412 561817197 /nfs/dbraw/zinc/81/71/97/561817197.db2.gz IRZVSQOBHQSEQH-WJTDDFOZSA-N -1 0 560.719 8.278 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)c1 ZINC000026735792 561817357 /nfs/dbraw/zinc/81/73/57/561817357.db2.gz BWKAZIFKEMSGAP-LVIRSBINSA-N -1 0 612.648 8.583 1 0 KKAFRM O=c1[n-]c(CN2CCC[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)n[nH]1 ZINC000026738609 561817721 /nfs/dbraw/zinc/81/77/21/561817721.db2.gz ZUWHBRRBKKTMQO-ICSRJNTNSA-N -1 0 500.443 5.470 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026742120 561818247 /nfs/dbraw/zinc/81/82/47/561818247.db2.gz UEOCLMFBTHWPAB-WJTDDFOZSA-N -1 0 544.651 7.565 1 0 KKAFRM CO[P@]([O-])(=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cccc1C(C)C ZINC000026744081 561818498 /nfs/dbraw/zinc/81/84/98/561818498.db2.gz QTFIQNRPNXCKLC-PSXMRANNSA-N -1 0 515.675 8.796 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@H](CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CC(C)C)cc1 ZINC000026747881 561819135 /nfs/dbraw/zinc/81/91/35/561819135.db2.gz ZJRMRCYIFRIMFI-XCZPVHLTSA-N -1 0 558.679 5.435 1 0 KKAFRM CCc1nc(CC)n(Cc2ccc3oc(-c4ccccc4[N-]S(=O)(=O)C(F)(F)F)c(Br)c3c2)c1C(N)=O ZINC000026837070 561824628 /nfs/dbraw/zinc/82/46/28/561824628.db2.gz OTQMQQWLHZDIEA-UHFFFAOYSA-N -1 0 599.429 5.592 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6cc(F)cc(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026936390 561827557 /nfs/dbraw/zinc/82/75/57/561827557.db2.gz JHOUMUKNIIOURU-DWKDZXJCSA-N -1 0 598.815 9.312 1 0 KKAFRM COc1ccc(N=NC2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@H]6[C@H](C(C)C)CC[C@]6(C(=O)[O-])CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)cc1 ZINC000026940769 561828119 /nfs/dbraw/zinc/82/81/19/561828119.db2.gz HNSKIEXDMLBPHZ-MQLOUTOPSA-N -1 0 576.866 9.285 1 0 KKAFRM CCOC(=O)NCCCC[P@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000026973683 561830648 /nfs/dbraw/zinc/83/06/48/561830648.db2.gz PPRCMDPOMBHOSF-VPUSJEBWSA-N -1 0 573.671 5.202 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026985938 561831883 /nfs/dbraw/zinc/83/18/83/561831883.db2.gz WEVACLRCDODVMV-UHFFFAOYSA-N -1 0 524.916 6.323 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026996861 561833342 /nfs/dbraw/zinc/83/33/42/561833342.db2.gz VLBPPLSIRHERBB-ZWVPWXAESA-N -1 0 676.857 7.259 1 0 KKAFRM Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(=O)[O-])NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000027076586 561834394 /nfs/dbraw/zinc/83/43/94/561834394.db2.gz DILLUBXISCIMIT-BUNKCQSQSA-N -1 0 742.918 5.786 1 0 KKAFRM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H]2OC(=O)c3ccccc32)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027078223 561834581 /nfs/dbraw/zinc/83/45/81/561834581.db2.gz SDHLPRPYVKQWDH-WJOKGBTCSA-N -1 0 554.599 5.503 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027193666 561843985 /nfs/dbraw/zinc/84/39/85/561843985.db2.gz MAAMMEYMOVOEKI-LJAQVGFWSA-N -1 0 595.548 7.546 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1cccc(-c2ccccc2)c1 ZINC000027201102 561845258 /nfs/dbraw/zinc/84/52/58/561845258.db2.gz GQTDZNGWCLHZAD-PGUFJCEWSA-N -1 0 575.753 8.436 1 0 KKAFRM CC(=O)[C@H]1CC[C@@H]2[C@H]3[C@H](Sc4ccc(NC(=O)N=S(=O)([O-])c5ccc(C)cc5)cc4)CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027315639 561851461 /nfs/dbraw/zinc/85/14/61/561851461.db2.gz YSNVGHNSFPEGCP-MNNVXXRPSA-N -1 0 634.864 7.518 1 0 KKAFRM C[C@H](C(=O)Nc1ccc(CCCC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2c1 ZINC000027321084 561852716 /nfs/dbraw/zinc/85/27/16/561852716.db2.gz JTVWKLTWEJHHAM-NRFANRHFSA-N -1 0 553.058 7.770 1 0 KKAFRM CCCCc1nc2ccc(N(C)C(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027328880 561854278 /nfs/dbraw/zinc/85/42/78/561854278.db2.gz LYIZKBWXFCRCOG-UHFFFAOYSA-N -1 0 538.692 7.271 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCCC(=O)[O-])c1ccccc1 ZINC000027409915 561856127 /nfs/dbraw/zinc/85/61/27/561856127.db2.gz DTWVTGFYGQMOTR-SRMRTDOLSA-N -1 0 628.770 5.249 1 0 KKAFRM C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)CCCC(=O)[O-])CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000027423192 561857951 /nfs/dbraw/zinc/85/79/51/561857951.db2.gz YOYLIRUMGOYFDU-LBSMODEVSA-N -1 0 535.033 5.679 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000027427290 561858690 /nfs/dbraw/zinc/85/86/90/561858690.db2.gz BHJMRSIHXIHXAS-DOJGLMCHSA-N -1 0 707.871 6.907 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027428162 561858758 /nfs/dbraw/zinc/85/87/58/561858758.db2.gz NLYKYOJFKOSQBY-QABMSTFYSA-N -1 0 546.645 5.283 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2cccc(Cl)c2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027522782 561864580 /nfs/dbraw/zinc/86/45/80/561864580.db2.gz NTFRIDYHCFGTFD-SANMLTNESA-N -1 0 675.250 9.269 1 0 KKAFRM C[C@H]1CCCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)[O-])CC4)c3)nc21 ZINC000027522282 561864397 /nfs/dbraw/zinc/86/43/97/561864397.db2.gz DUCNKECWDRIBHL-FBXDVBMASA-N -1 0 569.811 8.581 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027517314 561861091 /nfs/dbraw/zinc/86/10/91/561861091.db2.gz AFTMAOKLWIAKGU-QHCPKHFHSA-N -1 0 536.613 5.175 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1CC(=O)[O-] ZINC000027517815 561861610 /nfs/dbraw/zinc/86/16/10/561861610.db2.gz IIRMQXPORZFGKC-UHFFFAOYSA-N -1 0 558.646 7.981 1 0 KKAFRM CCCc1cccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)n1 ZINC000027521037 561863909 /nfs/dbraw/zinc/86/39/09/561863909.db2.gz XWWWRDGIDIASEO-IQPSODPJSA-N -1 0 543.773 8.094 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2cc4ccccc4cn2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027521205 561863932 /nfs/dbraw/zinc/86/39/32/561863932.db2.gz HPKQNZGKDGRORX-QFIPXVFZSA-N -1 0 637.226 9.497 1 0 KKAFRM C[C@H](CS[C@@H](CCc1cccc(CO)c1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000027524701 561865789 /nfs/dbraw/zinc/86/57/89/561865789.db2.gz HPWBQMZUHXBDRB-FJPULXTBSA-N -1 0 532.105 7.679 1 0 KKAFRM CC(=O)c1cccc(CC[C@H](SC[C@@H](C)C(=O)[O-])c2cccc(C=Cc3ccc4ccc(Cl)cc4n3)c2)c1 ZINC000027525659 561865992 /nfs/dbraw/zinc/86/59/92/561865992.db2.gz NJRUAXOCISFQJD-UOMMWCHDSA-N -1 0 544.116 8.389 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1CC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000027525911 561866134 /nfs/dbraw/zinc/86/61/34/561866134.db2.gz QXJJMXIXVWWIRG-GGPLHVIZSA-N -1 0 574.186 8.500 1 0 KKAFRM [O-]c1c(Br)c(Br)c(Br)c(Br)c1Oc1cc(O)cc(Br)c1O ZINC000027559392 561870216 /nfs/dbraw/zinc/87/02/16/561870216.db2.gz CULMQSNQNYUUJB-UHFFFAOYSA-N -1 0 612.688 6.408 1 0 KKAFRM [O-]c1c(Br)c(Br)c(Br)cc1Oc1cc(Br)c(Br)c(Br)c1O ZINC000027617357 561872007 /nfs/dbraw/zinc/87/20/07/561872007.db2.gz AUJSEOPMWKDXKM-UHFFFAOYSA-N -1 0 675.585 7.465 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N(C(=O)OCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000027645597 561875758 /nfs/dbraw/zinc/87/57/58/561875758.db2.gz KTIISCUSKCCNHS-WJOKGBTCSA-N -1 0 560.606 6.752 1 0 KKAFRM O=C([O-])CNC(=O)CCCCCCCCCCCNC(=O)COc1c2ccccc2[nH]c1-c1cc2ccccc2[nH]1 ZINC000027655847 561877490 /nfs/dbraw/zinc/87/74/90/561877490.db2.gz ZZYVZAQHCWNEDW-UHFFFAOYSA-N -1 0 560.695 5.913 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccc(Cl)s1 ZINC000027657217 561877929 /nfs/dbraw/zinc/87/79/29/561877929.db2.gz FLYZWERLPYFRIM-NZJZFQCPSA-N -1 0 672.012 5.099 1 0 KKAFRM O=C([O-])CCCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(I)cc2)c1 ZINC000027750042 561883238 /nfs/dbraw/zinc/88/32/38/561883238.db2.gz QNSOXESEHPFNCD-YCPBAFNGSA-N -1 0 590.483 5.284 1 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2cccc(F)c2)[C@H](C(=O)[O-])C3)c1 ZINC000027728701 561881142 /nfs/dbraw/zinc/88/11/42/561881142.db2.gz HEWLDURPNZGNRV-YVSHKSEASA-N -1 0 713.281 5.674 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027767743 561884768 /nfs/dbraw/zinc/88/47/68/561884768.db2.gz CCWBGSWFGJGKBW-RYHDWCGISA-N -1 0 550.680 6.395 1 0 KKAFRM O=C([O-])CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000027866310 561887738 /nfs/dbraw/zinc/88/77/38/561887738.db2.gz LANNUTDYLRCCFT-XIFFEERXSA-N -1 0 591.620 6.138 1 0 KKAFRM CCCCc1nc(Cl)c(CO)n1Cc1ccc2oc(-c3ccccc3C(=O)[O-])c(Br)c2c1 ZINC000027843665 561885268 /nfs/dbraw/zinc/88/52/68/561885268.db2.gz QUAQCVBTBFFGGM-UHFFFAOYSA-N -1 0 517.807 6.294 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C(F)(F)F)nc1OCCOc1ncc(Br)cn1 ZINC000027899470 561890688 /nfs/dbraw/zinc/89/06/88/561890688.db2.gz XKHGMCLCLOWKKB-UHFFFAOYSA-N -1 0 698.518 6.405 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(C(C)C)o1 ZINC000028016865 561897576 /nfs/dbraw/zinc/89/75/76/561897576.db2.gz GIFQSWPUGBKSPC-BJKOFHAPSA-N -1 0 551.688 5.378 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(C2CC2)s1 ZINC000028015844 561897236 /nfs/dbraw/zinc/89/72/36/561897236.db2.gz OEZIRUDUAQYUQS-BJKOFHAPSA-N -1 0 565.740 5.600 1 0 KKAFRM O=C([O-])C1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021923 561898663 /nfs/dbraw/zinc/89/86/63/561898663.db2.gz 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/nfs/dbraw/zinc/90/21/57/561902157.db2.gz GINNMBBZQAYWGE-UHFFFAOYSA-N -1 0 549.653 5.177 1 0 KKAFRM CCCCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028107081 561902422 /nfs/dbraw/zinc/90/24/22/561902422.db2.gz OKHYHRFURDHEHL-UHFFFAOYSA-N -1 0 559.475 5.634 1 0 KKAFRM CC(C)c1ccc([C@@H](C(=O)[O-])N2C(=O)c3cc(I)ccc3NC(=O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000028129648 561905576 /nfs/dbraw/zinc/90/55/76/561905576.db2.gz NECDGFPGXYNUFB-GOTSBHOMSA-N -1 0 588.829 6.030 1 0 KKAFRM CC(C)(C)c1ccc2c(c1)C(=O)N([C@H](C(=O)[O-])c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2 ZINC000028137042 561906738 /nfs/dbraw/zinc/90/67/38/561906738.db2.gz MQOQGSONRZTIDI-GOTSBHOMSA-N -1 0 511.405 6.252 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028226784 561908187 /nfs/dbraw/zinc/90/81/87/561908187.db2.gz SJEDBXQOLCNVJP-RHNUXINZSA-N -1 0 740.838 6.287 1 0 KKAFRM Cc1c2cc(-c3cccc(-c4ccccc4)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028344104 561914659 /nfs/dbraw/zinc/91/46/59/561914659.db2.gz DHWDCLQBTXPAJC-UHFFFAOYSA-N -1 0 508.061 8.639 1 0 KKAFRM COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](C(=O)[O-])CC[C@@H]21 ZINC000028257375 561911585 /nfs/dbraw/zinc/91/15/85/561911585.db2.gz DYLGUYDUDLRNRZ-AMUBLGQWSA-N -1 0 538.637 5.720 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC[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 ZINC000028335330 561913353 /nfs/dbraw/zinc/91/33/53/561913353.db2.gz FYVHPADZKHBHBV-GEKYXGFXSA-N -1 0 603.888 7.961 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4cnccn4)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028337184 561913483 /nfs/dbraw/zinc/91/34/83/561913483.db2.gz KGSRJGJBFBOWRK-UHFFFAOYSA-N -1 0 528.027 7.568 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230948 561909069 /nfs/dbraw/zinc/90/90/69/561909069.db2.gz UXXTUTFFBPWTOZ-PXJZQJOASA-N -1 0 593.661 5.559 1 0 KKAFRM COc1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)[O-])cc2)CCc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000028236053 561909673 /nfs/dbraw/zinc/90/96/73/561909673.db2.gz OSXSWKJPLURCCX-UHFFFAOYSA-N -1 0 598.765 7.645 1 0 KKAFRM CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)NC2CCCCC2)cc1)C(=O)[O-] ZINC000028235832 561909699 /nfs/dbraw/zinc/90/96/99/561909699.db2.gz YPCVJZIGKJSYKB-UHFFFAOYSA-N -1 0 544.761 7.438 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])ccc1O ZINC000028347380 561915018 /nfs/dbraw/zinc/91/50/18/561915018.db2.gz TUSQXCPNLMIMRY-QFIPXVFZSA-N -1 0 585.528 7.397 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(CCCC(=O)[O-])c2)cc1 ZINC000028359564 561916565 /nfs/dbraw/zinc/91/65/65/561916565.db2.gz UROVKNONYIRYFX-UHFFFAOYSA-N -1 0 558.700 6.773 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000028363967 561917202 /nfs/dbraw/zinc/91/72/02/561917202.db2.gz DVRXYXZNRPMKQA-UHFFFAOYSA-N -1 0 558.700 6.773 1 0 KKAFRM COc1ccc(Cc2sc3ccccc3c2-c2ccc(-c3ccc(O[C@H](Cc4ccccc4)C(=O)[O-])cc3)cc2)c(OC)c1 ZINC000028467388 561926316 /nfs/dbraw/zinc/92/63/16/561926316.db2.gz HGPZRAKCMMNFNO-UUWRZZSWSA-N -1 0 600.736 8.918 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000028397551 561923309 /nfs/dbraw/zinc/92/33/09/561923309.db2.gz YVORLYFGKZWWMI-XONOOPINSA-N -1 0 586.898 8.519 1 0 KKAFRM O=C([O-])C[C@H](c1ccc(-c2ccccc2)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028467574 561926493 /nfs/dbraw/zinc/92/64/93/561926493.db2.gz XRZOOOHYYLVTTI-WJOKGBTCSA-N -1 0 517.629 6.747 1 0 KKAFRM COc1ccc2ncc(-n3c(C)c(Cc4cccc(O[C@@H](C)C(=O)[O-])c4)c4cc(OC(F)(F)F)ccc43)cc2c1 ZINC000028467582 561926502 /nfs/dbraw/zinc/92/65/02/561926502.db2.gz VBLJJBHFZCXXCW-SFHVURJKSA-N -1 0 550.533 6.837 1 0 KKAFRM C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(C(=O)[O-])=C[C@]4(C)C3=CC[C@]12C ZINC000028470631 561926882 /nfs/dbraw/zinc/92/68/82/561926882.db2.gz GMIUDUZJEORGGJ-PLFJLFOSSA-N -1 0 500.720 5.940 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000028527922 561932620 /nfs/dbraw/zinc/93/26/20/561932620.db2.gz YRDUYFDZUXHVNG-UHFFFAOYSA-N -1 0 589.611 5.734 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475437 561927855 /nfs/dbraw/zinc/92/78/55/561927855.db2.gz KLLQFMOSUBJXBE-WPDQHLHMSA-N -1 0 687.756 5.646 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccnc2-c2ccsc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028476750 561928211 /nfs/dbraw/zinc/92/82/11/561928211.db2.gz IYDTYNARAMRYAC-WLUKTTEZSA-N -1 0 651.826 5.203 1 0 KKAFRM CCc1c2ccccc2oc1C(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc2)cc1 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/nfs/dbraw/zinc/93/69/88/561936988.db2.gz UVGZBVCWDUAYDU-UHFFFAOYSA-N -1 0 561.182 5.674 1 0 KKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(I)c2)C1C(=O)OC/C=C/c1ccccc1 ZINC000028567938 561937098 /nfs/dbraw/zinc/93/70/98/561937098.db2.gz VTFIIBUAQZLPSH-QDWUDRRGSA-N -1 0 515.347 5.708 1 0 KKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OCCC(c1ccccc1)c1ccccc1 ZINC000028568280 561937272 /nfs/dbraw/zinc/93/72/72/561937272.db2.gz OJSOLYAYFTWUPT-KRMIOCCOSA-N -1 0 502.010 7.265 1 0 KKAFRM CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5-c4ccc(F)cc4)CC3)c(=O)[nH]2)ccc1C ZINC000028570871 561939166 /nfs/dbraw/zinc/93/91/66/561939166.db2.gz PXGPMQZETUARJW-UHFFFAOYSA-N -1 0 684.744 5.034 1 0 KKAFRM COc1ccc(CS(=O)(=O)c2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)cc1 ZINC000028708839 561950598 /nfs/dbraw/zinc/95/05/98/561950598.db2.gz JGRVEJNVSVJOBD-UHFFFAOYSA-N -1 0 622.787 7.967 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCCC3)C2=O)c1 ZINC000028655806 561946719 /nfs/dbraw/zinc/94/67/19/561946719.db2.gz VDUORUDYIONOJC-UHFFFAOYSA-N -1 0 544.652 5.699 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000028655824 561946848 /nfs/dbraw/zinc/94/68/48/561946848.db2.gz TVUIMMHGHOEKIU-UHFFFAOYSA-N -1 0 532.641 5.094 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(Cl)c1)c1ccccc21 ZINC000028707159 561949945 /nfs/dbraw/zinc/94/99/45/561949945.db2.gz PAXHVNRGVJEGHQ-JWQCQUIFSA-N -1 0 591.079 6.505 1 0 KKAFRM COc1cc(CC(=O)[O-])ccc1OCCCCOc1ccc(CC(=O)N(C)CCc2ccc(Br)cc2)cc1 ZINC000028712402 561952911 /nfs/dbraw/zinc/95/29/11/561952911.db2.gz BIRILNPNSNJUCS-UHFFFAOYSA-N -1 0 584.507 5.566 1 0 KKAFRM [O-]c1c(Br)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028756886 561956580 /nfs/dbraw/zinc/95/65/80/561956580.db2.gz TYYJCWLAZFLTAQ-UHFFFAOYSA-N -1 0 550.315 9.057 1 0 KKAFRM CCCCc1oc2ccccc2c1C(=O)c1ccc2c(ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])c2Br)c1 ZINC000028757201 561956681 /nfs/dbraw/zinc/95/66/81/561956681.db2.gz JODMKVJBCWXIBI-NDEPHWFRSA-N -1 0 571.467 7.997 1 0 KKAFRM [O-]c1c(Br)cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1Br ZINC000028757569 561956804 /nfs/dbraw/zinc/95/68/04/561956804.db2.gz ILFFAKVYQZNTJD-UHFFFAOYSA-N -1 0 534.247 8.588 1 0 KKAFRM CCCCc1oc2ccccc2c1[C@H](O)c1ccc(-c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000028757372 561956844 /nfs/dbraw/zinc/95/68/44/561956844.db2.gz JGJRAZZIYPSROD-XMMPIXPASA-N -1 0 530.256 7.755 1 0 KKAFRM COc1cccc(-c2cc(-c3ccc(-c4c5ccccc5sc4Cc4ccccc4)cc3)cc(-c3cccc(OC)c3)c2OCC(=O)[O-])c1 ZINC000028757352 561956868 /nfs/dbraw/zinc/95/68/68/561956868.db2.gz QYATZZSODBDOMR-UHFFFAOYSA-N -1 0 662.807 10.641 1 0 KKAFRM Nc1ccc2nc(-c3ccc(-c4ccccc4C(=O)[O-])cc3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(=O)c2c1 ZINC000028757895 561957163 /nfs/dbraw/zinc/95/71/63/561957163.db2.gz UJIMUAUHAKQXMO-UHFFFAOYSA-N -1 0 591.631 5.906 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028758461 561957221 /nfs/dbraw/zinc/95/72/21/561957221.db2.gz KKUFFRZDMKEAGO-WJOKGBTCSA-N -1 0 698.476 10.426 1 0 KKAFRM O=C([O-])c1ccccc1-c1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1 ZINC000028758314 561957237 /nfs/dbraw/zinc/95/72/37/561957237.db2.gz GKOCSEXCXNCOLH-UHFFFAOYSA-N -1 0 576.616 6.324 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000028759900 561957671 /nfs/dbraw/zinc/95/76/71/561957671.db2.gz KCQHQBCGBJQLFN-UHFFFAOYSA-N -1 0 534.012 5.747 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)[O-])cc1 ZINC000028760185 561957824 /nfs/dbraw/zinc/95/78/24/561957824.db2.gz QHSQEBNDRHPEOR-UHFFFAOYSA-N -1 0 555.912 5.150 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCC(F)(F)F)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028760381 561957857 /nfs/dbraw/zinc/95/78/57/561957857.db2.gz IHXYDMMVEDLUPK-PKTZIBPZSA-N -1 0 540.563 5.283 1 0 KKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(=O)[O-])cc1 ZINC000028760692 561957903 /nfs/dbraw/zinc/95/79/03/561957903.db2.gz HAKWRUOSUUMJEF-UHFFFAOYSA-N -1 0 524.832 6.331 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761273 561958069 /nfs/dbraw/zinc/95/80/69/561958069.db2.gz YENZIMHWIWQMFD-UHFFFAOYSA-N -1 0 677.145 6.751 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761277 561958080 /nfs/dbraw/zinc/95/80/80/561958080.db2.gz PNXGQJYPAQEZOP-WDYNHAJCSA-N -1 0 554.712 6.301 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028762034 561958280 /nfs/dbraw/zinc/95/82/80/561958280.db2.gz ZYHZOLWXHNEBGU-UHFFFAOYSA-N -1 0 601.047 5.465 1 0 KKAFRM CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000028762448 561958472 /nfs/dbraw/zinc/95/84/72/561958472.db2.gz NWYFRVGJVQHAJF-DLFZDVPBSA-N -1 0 631.710 5.752 1 0 KKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)Nc2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028763403 561958686 /nfs/dbraw/zinc/95/86/86/561958686.db2.gz POGPZBQYEYRLJC-UHFFFAOYSA-N -1 0 574.025 5.979 1 0 KKAFRM O=C([O-])CCc1c2c(cc(-c3ccccc3)c1-c1ccccc1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000028769546 561960839 /nfs/dbraw/zinc/96/08/39/561960839.db2.gz UNDLJPOSGRDDIS-VWLOTQADSA-N -1 0 546.088 6.527 1 0 KKAFRM COc1cc(Cn2c3cc4c(cc3c(Sc3ccc(OC)c(OC)c3)c2C(=O)[O-])OCO4)cc2c1OCO2 ZINC000028769805 561961028 /nfs/dbraw/zinc/96/10/28/561961028.db2.gz MRISGPUEHMXCRJ-UHFFFAOYSA-N -1 0 537.546 5.022 1 0 KKAFRM Cc1c(Cc2cccnc2)cc2c(c1/C=C/CCCC(=O)[O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028771887 561961471 /nfs/dbraw/zinc/96/14/71/561961471.db2.gz WGEOBUQCRFWEKF-UDFXQGOISA-N -1 0 539.097 5.738 1 0 KKAFRM O=C([O-])c1cccc(C2=C(c3cc(Br)ccc3OCc3ccc(Cl)cc3F)CCC2)c1 ZINC000028819253 561965654 /nfs/dbraw/zinc/96/56/54/561965654.db2.gz OMWOJIWKUWHUTM-UHFFFAOYSA-N -1 0 501.779 7.614 1 0 KKAFRM COc1ccccc1C(=O)NCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820906 561966058 /nfs/dbraw/zinc/96/60/58/561966058.db2.gz FPWGYCXSSYBIPF-GDLZYMKVSA-N -1 0 623.503 6.904 1 0 KKAFRM CC(C)(C)c1ccc(-c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCc5cc(Cl)ccc54)c3)c(C(=O)[O-])c2)cc1 ZINC000028821769 561966602 /nfs/dbraw/zinc/96/66/02/561966602.db2.gz VYIZTNFWEUBWOZ-UHFFFAOYSA-N -1 0 589.113 7.006 1 0 KKAFRM CN1c2ccc(NC(=O)C3CCCCC3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824054 561968772 /nfs/dbraw/zinc/96/87/72/561968772.db2.gz IZQUOHFFJQFYBN-UHFFFAOYSA-N -1 0 563.742 8.503 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(=O)[O-] ZINC000028825484 561970825 /nfs/dbraw/zinc/97/08/25/561970825.db2.gz UWORFOWXVNUTEY-UHFFFAOYSA-N -1 0 507.384 5.978 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCC(c3ccccc3)c3ccccc3)c2)c(Br)c1 ZINC000028825850 561971046 /nfs/dbraw/zinc/97/10/46/561971046.db2.gz UWAZLYYKYTVFML-UHFFFAOYSA-N -1 0 625.313 6.899 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000028879212 561976135 /nfs/dbraw/zinc/97/61/35/561976135.db2.gz RDJIRKHOSXHZQQ-NDEPHWFRSA-N -1 0 548.549 6.149 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)[O-])Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000028949160 561980375 /nfs/dbraw/zinc/98/03/75/561980375.db2.gz AZZUNYXUAWUJFD-UHFFFAOYSA-N -1 0 557.046 7.272 1 0 KKAFRM Cc1cc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)nn1C ZINC000028951297 561981553 /nfs/dbraw/zinc/98/15/53/561981553.db2.gz RMUOGRVRGRIMEC-KAYWLYCHSA-N -1 0 590.696 5.033 1 0 KKAFRM Cc1csc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)n1 ZINC000028951284 561981593 /nfs/dbraw/zinc/98/15/93/561981593.db2.gz DUSVDNRAPNISCD-JWQCQUIFSA-N -1 0 593.721 5.756 1 0 KKAFRM CC(C)c1c(S(=O)(=O)NCc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037722 561988690 /nfs/dbraw/zinc/98/86/90/561988690.db2.gz HSCBDNLELBVHGZ-VSGBNLITSA-N -1 0 626.722 5.679 1 0 KKAFRM CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(N3CCC(C(=O)[O-])CC3)n2)s1 ZINC000028961164 561984122 /nfs/dbraw/zinc/98/41/22/561984122.db2.gz MJYMGQJLWSXFQV-UHFFFAOYSA-N -1 0 557.554 5.824 1 0 KKAFRM COc1ccc(COc2ccc([C@](O)(C(=O)[O-])C(F)(F)F)cc2OCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000028961541 561984358 /nfs/dbraw/zinc/98/43/58/561984358.db2.gz XNFFOPXGGIYDLE-NDEPHWFRSA-N -1 0 608.034 6.816 1 0 KKAFRM CCCCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972086 561985988 /nfs/dbraw/zinc/98/59/88/561985988.db2.gz AUYMQQZRLPEWIO-OAQYLSRUSA-N -1 0 554.700 7.835 1 0 KKAFRM CC(C)(Sc1ccc2c(c1)C[C@@H](N(CCCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)[O-] ZINC000028972148 561986011 /nfs/dbraw/zinc/98/60/11/561986011.db2.gz JLMCOZPWFDAIPV-SFHVURJKSA-N -1 0 564.548 6.884 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Oc2ccccc2)cc1 ZINC000028974103 561986270 /nfs/dbraw/zinc/98/62/70/561986270.db2.gz PUGFRSOVVAORPJ-ABYGYWHVSA-N -1 0 566.635 5.394 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978749 561987947 /nfs/dbraw/zinc/98/79/47/561987947.db2.gz DNNYNSPBJXNYMZ-LDLOPFEMSA-N -1 0 707.748 10.809 1 0 KKAFRM [O-]c1c(Br)ccc(Br)c1Oc1ccc(Br)cc1Br ZINC000029041868 561991331 /nfs/dbraw/zinc/99/13/31/561991331.db2.gz PYKBZBUUXMVRBL-UHFFFAOYSA-N -1 0 501.794 6.235 1 0 KKAFRM CCCOC(=O)N1C=C(Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](C(=O)[O-])CC1 ZINC000029044954 561992436 /nfs/dbraw/zinc/99/24/36/561992436.db2.gz PEQYJQCGWJYJFU-VWLOTQADSA-N -1 0 504.583 5.651 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)Oc3ccccc3)CC[C@@H]2CC(=O)[O-])c1 ZINC000029045526 561992500 /nfs/dbraw/zinc/99/25/00/561992500.db2.gz IIGKUFIQZADLCW-NAKRPHOHSA-N -1 0 540.616 6.351 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])c1 ZINC000029045680 561992630 /nfs/dbraw/zinc/99/26/30/561992630.db2.gz AESPUDBVEVJROB-RSXGOPAZSA-N -1 0 520.626 5.629 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])c1 ZINC000029045671 561992633 /nfs/dbraw/zinc/99/26/33/561992633.db2.gz AESPUDBVEVJROB-AZGAKELHSA-N -1 0 520.626 5.629 1 0 KKAFRM O=C([O-])c1ccc(NCc2ccc(-c3ccc(OC[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cc2)cc1 ZINC000029047107 561993165 /nfs/dbraw/zinc/99/31/65/561993165.db2.gz UHZQGNFLFNZCMB-HKBQPEDESA-N -1 0 556.569 5.500 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CCCC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC000029064248 561996274 /nfs/dbraw/zinc/99/62/74/561996274.db2.gz RLKUXRWOAPPZQB-UHFFFAOYSA-N -1 0 602.692 5.977 1 0 KKAFRM COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)cc1 ZINC000029123766 561996999 /nfs/dbraw/zinc/99/69/99/561996999.db2.gz CNTQGDRAAHSWDB-AREMUKBSSA-N -1 0 532.612 5.883 1 0 KKAFRM O=C([O-])c1nc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1-c1ccc2ccccc2c1 ZINC000029128625 562001144 /nfs/dbraw/zinc/00/11/44/562001144.db2.gz JUXXAPVQZFLAQY-HXUWFJFHSA-N -1 0 533.458 6.494 1 0 KKAFRM Cc1cccc(C)c1S(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000029130481 562002570 /nfs/dbraw/zinc/00/25/70/562002570.db2.gz DAKPKFGHBYJMTL-UHFFFAOYSA-N -1 0 691.293 8.944 1 0 KKAFRM CC(C)(C)OC(=O)N1CCC(Oc2ccc(CCC(=O)c3ncc(-c4cccc(C(=O)[O-])n4)o3)cc2)CC1 ZINC000029135981 562004671 /nfs/dbraw/zinc/00/46/71/562004671.db2.gz BEMCGHGHKHRNSB-UHFFFAOYSA-N -1 0 521.570 5.029 1 0 KKAFRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214579 562006213 /nfs/dbraw/zinc/00/62/13/562006213.db2.gz PJONSQNKGZRMKM-SVBPBHIXSA-N -1 0 616.586 5.647 1 0 KKAFRM CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214792 562006425 /nfs/dbraw/zinc/00/64/25/562006425.db2.gz QQNDAJPOISGIAK-IZLXSDGUSA-N -1 0 673.638 5.063 1 0 KKAFRM CN(C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000029215604 562006491 /nfs/dbraw/zinc/00/64/91/562006491.db2.gz IYPQGGAZCDEUJO-IZLXSDGUSA-N -1 0 641.596 5.690 1 0 KKAFRM O=C([O-])[C@@H](CCc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029215693 562006497 /nfs/dbraw/zinc/00/64/97/562006497.db2.gz DUAIOZPFMYOJPV-CLJLJLNGSA-N -1 0 602.559 5.257 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000029217198 562006697 /nfs/dbraw/zinc/00/66/97/562006697.db2.gz GHHGZGMQAUFGKV-FQHGAJMASA-N -1 0 599.728 5.291 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000029217872 562006844 /nfs/dbraw/zinc/00/68/44/562006844.db2.gz IDKSGHOHJZZRDZ-LLVCRWINSA-N -1 0 668.618 6.850 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ccc5ccc(Cl)cc5n4)c3)oc12 ZINC000029220918 562007181 /nfs/dbraw/zinc/00/71/81/562007181.db2.gz XECXOJPPICXVHU-UHFFFAOYSA-N -1 0 536.765 6.701 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4nc5ccccc5s4)c3)oc12 ZINC000029223524 562007600 /nfs/dbraw/zinc/00/76/00/562007600.db2.gz BZNPRZMJMTTYCW-UHFFFAOYSA-N -1 0 508.349 6.109 1 0 KKAFRM O=C([O-])CCCCCCC/C=C/CCCCCCCCOc1cc(C2(C(F)(F)F)N=N2)ccc1I ZINC000029323301 562013114 /nfs/dbraw/zinc/01/31/14/562013114.db2.gz ACDPQFPLCZWIOL-OWOJBTEDSA-N -1 0 608.483 8.953 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(CN(CCc1ccccc1)C(=O)CCC(=O)[O-])NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000029308382 562011801 /nfs/dbraw/zinc/01/18/01/562011801.db2.gz GMZUVGKFYTVNAM-QXXUVWQJSA-N -1 0 585.745 5.956 1 0 KKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCCO2)C(=O)[O-])cc1 ZINC000029318427 562012698 /nfs/dbraw/zinc/01/26/98/562012698.db2.gz HPOGEWKAYYHIGE-HOFKKMOUSA-N -1 0 581.509 6.218 1 0 KKAFRM Cc1ccc(COc2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2OCCCN2CCN(c3ccccc3OC(C)C)CC2)cc1 ZINC000029337191 562014583 /nfs/dbraw/zinc/01/45/83/562014583.db2.gz CGNQJHYXPHCPKR-UHFFFAOYSA-N -1 0 703.880 8.003 1 0 KKAFRM C/C(=C\C(=O)[O-])c1cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCCC(F)F)s1 ZINC000029338668 562014760 /nfs/dbraw/zinc/01/47/60/562014760.db2.gz JLAHIRHKOIBLKL-GHRIWEEISA-N -1 0 500.651 8.685 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(C3CCCCC3)cs2)c1 ZINC000029388524 562016749 /nfs/dbraw/zinc/01/67/49/562016749.db2.gz ZWYNPMFLCGQQOM-LILAQJHVSA-N -1 0 589.867 9.251 1 0 KKAFRM CC(C)(C)c1csc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)n1 ZINC000029393850 562018044 /nfs/dbraw/zinc/01/80/44/562018044.db2.gz OHLNSLXHVDAVHC-NCJIYNIUSA-N -1 0 563.829 8.500 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1[C@@H](CCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000029413994 562022370 /nfs/dbraw/zinc/02/23/70/562022370.db2.gz KFRMTKIWDUPMHO-UMSFTDKQSA-N -1 0 654.159 8.108 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029465491 562024260 /nfs/dbraw/zinc/02/42/60/562024260.db2.gz FBFWZVZIEYDLJY-UHFFFAOYSA-N -1 0 514.615 5.794 1 0 KKAFRM CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029474768 562026308 /nfs/dbraw/zinc/02/63/08/562026308.db2.gz DRUNXIOYVDSGII-YTTGMZPUSA-N -1 0 646.787 7.413 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029475989 562026453 /nfs/dbraw/zinc/02/64/53/562026453.db2.gz AILQNBFWBWZOJI-UHFFFAOYSA-N -1 0 594.133 6.069 1 0 KKAFRM CCCn1cc(Cc2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)NC3CCCC3)ccc21 ZINC000029476474 562026471 /nfs/dbraw/zinc/02/64/71/562026471.db2.gz CVSHLJPCGRTPSS-UHFFFAOYSA-N -1 0 588.730 5.834 1 0 KKAFRM CCCc1c(OCCC(C)(C)CCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029485790 562028213 /nfs/dbraw/zinc/02/82/13/562028213.db2.gz FXJVVVWLAOBUCU-RUZDIDTESA-N -1 0 526.626 5.792 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](CCC(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545576 562029760 /nfs/dbraw/zinc/02/97/60/562029760.db2.gz NHCUBRADMOEPRN-QFIPXVFZSA-N -1 0 526.626 5.936 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)O3)ccc(C(C)=O)c1O ZINC000029547771 562030310 /nfs/dbraw/zinc/03/03/10/562030310.db2.gz ZNRMFMPHTWAJJP-SSEXGKCCSA-N -1 0 637.751 5.577 1 0 KKAFRM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)C[C@@H]2C1CCCCC1 ZINC000029558817 562032629 /nfs/dbraw/zinc/03/26/29/562032629.db2.gz VKDAZGQQWPSRFA-JWQCQUIFSA-N -1 0 548.684 5.199 1 0 KKAFRM O=C([O-])CCCC/C=C(/c1ccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 ZINC000029567285 562034683 /nfs/dbraw/zinc/03/46/83/562034683.db2.gz LTCQRNQPODCPAS-NHFJQHJOSA-N -1 0 531.697 6.171 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)[O-])c2cccc(-c3ccccc3)c2)cc1 ZINC000034359717 562038831 /nfs/dbraw/zinc/03/88/31/562038831.db2.gz QEVQBINBSHZTPY-HKBQPEDESA-N -1 0 501.626 7.903 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799743 562040648 /nfs/dbraw/zinc/04/06/48/562040648.db2.gz GXAFMKJFWWBYNW-CPCREDONSA-N -1 0 719.828 6.375 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)C[P@@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000034801804 562041450 /nfs/dbraw/zinc/04/14/50/562041450.db2.gz HCCYYUWFQWPMDZ-ZMAQEQNXSA-N -1 0 696.741 5.279 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088600 562046385 /nfs/dbraw/zinc/04/63/85/562046385.db2.gz AWCLHLGSQOIWDA-NSOVKSMOSA-N -1 0 621.140 5.036 1 0 KKAFRM C[C@@H](C(=O)c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(Br)cc1 ZINC000036184637 562050232 /nfs/dbraw/zinc/05/02/32/562050232.db2.gz DSUNFNKQUGSSHE-CQSZACIVSA-N -1 0 532.221 6.390 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4cccc(OC(F)(F)F)c4)c2c(Br)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190404 562051090 /nfs/dbraw/zinc/05/10/90/562051090.db2.gz WJGCPZJFMWJGCD-CYBMUJFWSA-N -1 0 546.361 5.259 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COCCC(=O)[O-])c3S1 ZINC000036222805 562051707 /nfs/dbraw/zinc/05/17/07/562051707.db2.gz KDRQFLWYPGUXGP-QFIPXVFZSA-N -1 0 599.152 8.012 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CSCCC(=O)[O-])c3S1 ZINC000036222821 562051757 /nfs/dbraw/zinc/05/17/57/562051757.db2.gz COZPYVWTDTZGTN-QFIPXVFZSA-N -1 0 615.220 8.729 1 0 KKAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(CC)c1 ZINC000036238176 562051875 /nfs/dbraw/zinc/05/18/75/562051875.db2.gz FREUSOYKQUIGQQ-UHFFFAOYSA-N -1 0 549.697 5.180 1 0 KKAFRM CC(C)(O)CCCS[C@@H](CCC(C)(C)CC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000036268341 562052308 /nfs/dbraw/zinc/05/23/08/562052308.db2.gz FQTSHUBWTSTYKL-BJFJQTCSSA-N -1 0 540.169 8.665 1 0 KKAFRM CC[C@@H](CS[C@@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268409 562052492 /nfs/dbraw/zinc/05/24/92/562052492.db2.gz KFPTUNJJKOMORB-JRPXNJEYSA-N -1 0 602.160 7.176 1 0 KKAFRM CC[C@@H](CS[C@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268456 562052537 /nfs/dbraw/zinc/05/25/37/562052537.db2.gz QVCMBMYBGUPCRP-AFJIDDCJSA-N -1 0 588.133 7.165 1 0 KKAFRM CC[C@H](CS[C@@H](CCc1ccccc1C(N)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268422 562052557 /nfs/dbraw/zinc/05/25/57/562052557.db2.gz APPLGAQTEJYNIL-OLILMLBXSA-N -1 0 563.119 7.084 1 0 KKAFRM CN(C)C(=O)CCS[C@H](SCCC(=O)[O-])c1cccc(SCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268544 562052678 /nfs/dbraw/zinc/05/26/78/562052678.db2.gz LVGXGGOLOINPQF-RUZDIDTESA-N -1 0 535.156 6.599 1 0 KKAFRM C[C@H](CC[C@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268522 562052705 /nfs/dbraw/zinc/05/27/05/562052705.db2.gz OEBOGVZKAGANGB-BCHFMIIMSA-N -1 0 529.102 6.611 1 0 KKAFRM C[C@H](CC[C@H](SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268498 562052711 /nfs/dbraw/zinc/05/27/11/562052711.db2.gz RNIYBTBWFIDQPX-LCIDZVDASA-N -1 0 525.114 7.202 1 0 KKAFRM O=C(/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1)[N-]S(=O)(=O)c1cccs1 ZINC000036349291 562058014 /nfs/dbraw/zinc/05/80/14/562058014.db2.gz ORLFWIZCXVABPG-BMRADRMJSA-N -1 0 539.678 6.589 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(Cl)ccc3-c3cccc(Cl)c3)cc1)n2C1CCCCC1 ZINC000036350446 562058225 /nfs/dbraw/zinc/05/82/25/562058225.db2.gz NBCUIHSPCQSERV-UHFFFAOYSA-N -1 0 571.504 9.460 1 0 KKAFRM O=C([O-])CCc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 ZINC000037866959 562062327 /nfs/dbraw/zinc/06/23/27/562062327.db2.gz JWIAPHNMDBEPFB-UHFFFAOYSA-N -1 0 516.229 6.740 1 0 KKAFRM Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000036387332 562060248 /nfs/dbraw/zinc/06/02/48/562060248.db2.gz AQBGQCQTFVOOMP-UPVQGACJSA-N -1 0 502.419 6.190 3 0 KKAFRM COC(=O)c1ccc2[nH]c([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036748845 562061105 /nfs/dbraw/zinc/06/11/05/562061105.db2.gz XNESRZBWFVZRNF-URLMMPGGSA-N -1 0 644.731 5.010 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000038145765 562064522 /nfs/dbraw/zinc/06/45/22/562064522.db2.gz ICBJLKWXHKHTJB-ZEQRLZLVSA-N -1 0 536.864 6.843 3 0 KKAFRM C[C@@H](SCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158079 562070092 /nfs/dbraw/zinc/07/00/92/562070092.db2.gz NKIWADZHZNTNNU-XZOQPEGZSA-N -1 0 629.247 8.770 1 0 KKAFRM COc1cc(/C=C/C(=O)[O-])ccc1OCCCCOc1ccc(CC(=O)N(C)CCc2ccccc2)cc1 ZINC000040393693 562074127 /nfs/dbraw/zinc/07/41/27/562074127.db2.gz URNDOXCQWUYOKW-GHRIWEEISA-N -1 0 517.622 5.275 1 0 KKAFRM COc1cc(CCC(=O)[O-])ccc1OCCCCOc1ccc(CC(=O)N(C)CCc2ccccc2)cc1 ZINC000040404227 562074826 /nfs/dbraw/zinc/07/48/26/562074826.db2.gz GOTVBYOJBWGVRF-UHFFFAOYSA-N -1 0 519.638 5.194 1 0 KKAFRM COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@H]21 ZINC000040614179 562078588 /nfs/dbraw/zinc/07/85/88/562078588.db2.gz VVMGZVYQOSAGQE-HFBLEKMCSA-N -1 0 530.746 6.815 1 0 KKAFRM COc1ccccc1-c1noc(C(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000040876986 562082239 /nfs/dbraw/zinc/08/22/39/562082239.db2.gz XUGMYUHKCMKFGS-VAWYXSNFSA-N -1 0 503.982 7.575 1 0 KKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040836464 562080096 /nfs/dbraw/zinc/08/00/96/562080096.db2.gz SZYILIKIVZXEGX-UHFFFAOYSA-N -1 0 507.022 6.207 1 0 KKAFRM CCCOc1cc(F)c(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847360 562080411 /nfs/dbraw/zinc/08/04/11/562080411.db2.gz FKIJWNBDEWMSDE-OYXADMNISA-N -1 0 521.673 6.666 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c2c1cccc2Oc1ccc2ccccc2c1 ZINC000040860865 562080706 /nfs/dbraw/zinc/08/07/06/562080706.db2.gz FWXDOAJVHKVIGZ-MHWRWJLKSA-N 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562088650 /nfs/dbraw/zinc/08/86/50/562088650.db2.gz ZQLCOCWIKAUBHB-PAEBMLBLSA-N -1 0 536.775 6.147 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CCCC(=O)[O-])cc3)C[C@@]21C ZINC000042804032 562088652 /nfs/dbraw/zinc/08/86/52/562088652.db2.gz HDGGCJDELDDYQH-SBMMGGBVSA-N -1 0 529.677 5.558 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@]4(C)[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]34C)[C@]2(C)[C@]1(C)O ZINC000085644430 560067316 /nfs/dbraw/zinc/06/73/16/560067316.db2.gz ZBXHSIQEWBGZPK-ZSTWTYIGSA-N -1 0 516.763 5.955 1 0 biogenic,in-vitro KKAFRM C[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1(CO2)[C@]3(CO)[C@@]54C ZINC000085530756 560073391 /nfs/dbraw/zinc/07/33/91/560073391.db2.gz GPRMYZKJUMWMJB-GUVWALHQSA-N -1 0 528.774 6.260 1 0 biogenic,in-vitro KKAFRM CCC[C@H]1[C@]2(O)C[C@]34C=CC[C@@]56[C@H](CC3)C[C@@]3(C)[C@@H]7C[C@](C)(C(=O)[O-])CC[C@]7(C)CC[C@]3(C)[C@H]5CC[C@@]1(CO2)[C@]64CO 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/nfs/dbraw/zinc/19/56/60/560195660.db2.gz XFQXBYAOHZIDSQ-DFMDNHFBSA-N -1 0 528.601 5.991 1 0 in-vitro KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000004165448 560197191 /nfs/dbraw/zinc/19/71/91/560197191.db2.gz SAOOBRUHTPONGX-FAXXBAGESA-N -1 0 536.709 7.083 3 0 in-vitro KKAFRM O=C([O-])CCc1ccc2c(c1)c1ccccc1n2Cc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000043061755 562645203 /nfs/dbraw/zinc/64/52/03/562645203.db2.gz CWMGLOOAUHZUQW-RIYZIHGNSA-N -1 0 517.028 8.232 1 0 KKAFRM COc1ccc2c(c1)c1c(n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCN(CCC(=O)[O-])C1 ZINC000043063637 562645297 /nfs/dbraw/zinc/64/52/97/562645297.db2.gz JUPXEQCJDWAVKT-WEVVVXLNSA-N -1 0 552.074 6.903 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000043077789 562645741 /nfs/dbraw/zinc/64/57/41/562645741.db2.gz UMTHYRBJTMSSET-UHFFFAOYSA-N -1 0 549.410 7.692 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000043078847 562645805 /nfs/dbraw/zinc/64/58/05/562645805.db2.gz SHVWHGZHXKWFDK-MDZDMXLPSA-N -1 0 518.569 5.134 1 0 KKAFRM O=C(NCc1ccc(S(=O)(=O)[N-]c2sccc2-c2nc3ccccc3s2)s1)c1ccc(Cl)cc1 ZINC000043120067 562646040 /nfs/dbraw/zinc/64/60/40/562646040.db2.gz XRJRLXBOSWPUOZ-UHFFFAOYSA-N -1 0 546.120 6.471 1 0 KKAFRM C[C@H](NC(=O)c1cccc2c1N(Cc1cc(Br)cc(Br)c1)CC2)c1ccc(C(=O)[O-])cc1 ZINC000043178384 562646661 /nfs/dbraw/zinc/64/66/61/562646661.db2.gz IPBLMCOCQXORPP-HNNXBMFYSA-N -1 0 558.270 5.964 1 0 KKAFRM CC[C@@](NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000043178770 562646691 /nfs/dbraw/zinc/64/66/91/562646691.db2.gz BQVANSPVKXLVDU-NDEPHWFRSA-N -1 0 507.508 6.558 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6cc(F)cc(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043335461 562647905 /nfs/dbraw/zinc/64/79/05/562647905.db2.gz JHOUMUKNIIOURU-ZHIMQJOLSA-N 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CC[C@@H](O)CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4[C@@](C)(CC)CCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]2(C)[C@@H](C(=O)[O-])[C@@H]1C(C)=O ZINC000043552801 562649664 /nfs/dbraw/zinc/64/96/64/562649664.db2.gz VFBXOXMDEZSTGF-QWVYGYFFSA-N -1 0 590.798 5.966 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4cc(C)ccc4OC)c3)C2)cc1OC1CCCC1 ZINC000044052513 562651783 /nfs/dbraw/zinc/65/17/83/562651783.db2.gz ABPCPPLTQHSSRR-QFIPXVFZSA-N -1 0 550.677 5.655 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044053012 562651886 /nfs/dbraw/zinc/65/18/86/562651886.db2.gz PVJHCINJAHGBJW-NMJGOYCLSA-N -1 0 588.679 9.044 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000044053481 562652020 /nfs/dbraw/zinc/65/20/20/562652020.db2.gz WVYWNLXUHFXESO-XKCXAOBPSA-N -1 0 588.786 5.617 1 0 KKAFRM CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(=O)[O-])c(CCC)c2)c(CCC)c1 ZINC000044306113 562653629 /nfs/dbraw/zinc/65/36/29/562653629.db2.gz SQZYUOYBTIOEEA-UHFFFAOYSA-N -1 0 580.630 6.283 1 0 in-vitro KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc([O-])c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000044351460 562654706 /nfs/dbraw/zinc/65/47/06/562654706.db2.gz MRMMGDLQIQYRDA-QCTAZPTNSA-N -1 0 590.798 5.610 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)c6ccc(O)cc6)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000044351565 562654711 /nfs/dbraw/zinc/65/47/11/562654711.db2.gz PRHXRDXOLIIRKM-QQRFHWSCSA-N -1 0 592.817 7.775 1 0 KKAFRM CCCc1c(OCCCN2CCCc3c(OC(C)(C)C(=O)[O-])cccc32)ccc2cc(C(=O)c3ccccc3)ccc21 ZINC000044351663 562654753 /nfs/dbraw/zinc/65/47/53/562654753.db2.gz ITOWIDRWCNSSCV-UHFFFAOYSA-N -1 0 565.710 7.487 1 0 KKAFRM CC1(C)[C@@H]2CCC3=C(CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)CCC(=O)[O-])CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@@H]1O ZINC000044351675 562654844 /nfs/dbraw/zinc/65/48/44/562654844.db2.gz GPPABKYPEYNTEG-XKUYIGASSA-N -1 0 542.801 7.701 1 0 KKAFRM C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000044352222 562655069 /nfs/dbraw/zinc/65/50/69/562655069.db2.gz XBLHWIDOUUMBSH-FXWGESSJSA-N -1 0 543.789 5.709 1 0 KKAFRM [O-]c1c(Br)c(Br)c(Br)c(Br)c1Oc1ccccc1Br ZINC000044387340 562656129 /nfs/dbraw/zinc/65/61/29/562656129.db2.gz BOKPHTBEQUIUOX-UHFFFAOYSA-N -1 0 580.690 6.997 1 0 KKAFRM Cc1cc(Cl)cc(C)c1OCc1noc(C(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404928 562656567 /nfs/dbraw/zinc/65/65/67/562656567.db2.gz QCSZIGKHCCXOKT-CMDGGOBGSA-N -1 0 566.481 8.748 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc2)cc1)C(=O)[O-] ZINC000044406052 562656762 /nfs/dbraw/zinc/65/67/62/562656762.db2.gz ZHXMXRVBOZWQPF-GDLZYMKVSA-N -1 0 561.631 5.690 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)cc1)C(=O)[O-] ZINC000044406254 562656792 /nfs/dbraw/zinc/65/67/92/562656792.db2.gz OUDNAVVCONGREK-AREMUKBSSA-N -1 0 554.665 5.667 1 0 KKAFRM CC(C)c1onc([C@H]2C[C@@H]2c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044406262 562656795 /nfs/dbraw/zinc/65/67/95/562656795.db2.gz WFCRESRTSNTUAR-XSOUEMDHSA-N -1 0 582.911 9.477 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@]21C(=O)[O-] ZINC000044406374 562656890 /nfs/dbraw/zinc/65/68/90/562656890.db2.gz CTQRAHWNNVEBTE-LOSYRFOESA-N -1 0 584.794 6.030 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3COCC(=O)[O-])nc2-c2ccc(C)cc2)c1 ZINC000044406752 562656959 /nfs/dbraw/zinc/65/69/59/562656959.db2.gz KHDLAMAZCPGXIN-LJAQVGFWSA-N -1 0 605.695 5.227 1 0 KKAFRM [O-]c1c(Br)c(Br)cc2c1Oc1cc(Br)cc(Br)c1O2 ZINC000044406802 562656990 /nfs/dbraw/zinc/65/69/90/562656990.db2.gz OKZDDAYLOUDZAH-UHFFFAOYSA-N -1 0 515.777 6.340 1 0 KKAFRM O=C([O-])[C@@]1(N(CCc2cccnc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000044430827 562657691 /nfs/dbraw/zinc/65/76/91/562657691.db2.gz WGZPWXATSUKUDN-LMSSTIIKSA-N -1 0 533.049 5.646 1 0 KKAFRM CC(C)Cc1cc(-c2ccc(-c3ccc(CCC(O)O)cc3CC(C)C)cc2C(C)C)ccc1OCC(=O)[O-] ZINC000045259006 562659997 /nfs/dbraw/zinc/65/99/97/562659997.db2.gz ULFFQAGQBPOZJT-UHFFFAOYSA-N -1 0 532.721 7.248 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnc(N)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000045283777 562660083 /nfs/dbraw/zinc/66/00/83/562660083.db2.gz RJVLVZUXYHWKDL-ZTEJNSIYSA-N -1 0 505.747 6.959 1 0 KKAFRM CC(C)CC[C@H](c1ncc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045367555 562662127 /nfs/dbraw/zinc/66/21/27/562662127.db2.gz WDQIDLLGHLCCGM-HBGVWJBISA-N -1 0 517.514 6.920 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(cc(C)n2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c1)c1ccccc1 ZINC000045368734 562662136 /nfs/dbraw/zinc/66/21/36/562662136.db2.gz CAEQBTDFYZGGNT-PMERELPUSA-N -1 0 502.614 7.244 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(cc(C)n2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c1)c1ccccc1 ZINC000045368738 562662139 /nfs/dbraw/zinc/66/21/39/562662139.db2.gz CAEQBTDFYZGGNT-SSEXGKCCSA-N -1 0 502.614 7.244 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3c(F)cccc3F)ccc2CCC(=O)[O-])c1 ZINC000045387157 562662433 /nfs/dbraw/zinc/66/24/33/562662433.db2.gz YQXPHUWJIAKOMU-HHHXNRCGSA-N -1 0 509.593 6.695 1 0 KKAFRM CCOC(=O)c1c(-c2ccc(-c3ccc(OC)cc3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045389159 562662453 /nfs/dbraw/zinc/66/24/53/562662453.db2.gz RKLNQHWYOSBKDH-UHFFFAOYSA-N -1 0 501.560 6.218 1 0 KKAFRM O=C([O-])Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2cc(Cl)cc(Cl)c2)c1 ZINC000049049062 562663716 /nfs/dbraw/zinc/66/37/16/562663716.db2.gz GCTNYGSNXGCPAZ-UHFFFAOYSA-N -1 0 511.361 5.751 1 0 KKAFRM COc1cccc(Cn2cc(C)c3cc(F)cc(-c4nnc([N-]S(=O)(=O)c5ccc(F)cc5)o4)c32)c1 ZINC000049053732 562663824 /nfs/dbraw/zinc/66/38/24/562663824.db2.gz 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/nfs/dbraw/zinc/67/30/79/562673079.db2.gz DPXNBPXLKANAFE-ZHACJKMWSA-N -1 0 541.481 6.799 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)[N-]S(=O)(=O)c3ccccc3)c(C)c(C)c2O1 ZINC000049746698 562674531 /nfs/dbraw/zinc/67/45/31/562674531.db2.gz ZLBCDZZBAJJYOY-TXDIRLDSSA-N -1 0 593.830 9.064 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)c2O1 ZINC000049746702 562674545 /nfs/dbraw/zinc/67/45/45/562674545.db2.gz LWMWHUYAFFOPOT-JTBNYQFTSA-N -1 0 628.275 9.717 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)c(C)c(C)c2O1 ZINC000049746700 562674546 /nfs/dbraw/zinc/67/45/46/562674546.db2.gz NNYUKFOPVNHCMF-BKDHVNIQSA-N -1 0 621.884 9.681 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)c1ccccc1)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049756580 562675100 /nfs/dbraw/zinc/67/51/00/562675100.db2.gz RXXTZBSQDZRMAN-LJAQVGFWSA-N -1 0 635.160 7.584 1 0 KKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000049757474 562676045 /nfs/dbraw/zinc/67/60/45/562676045.db2.gz BCWGHIPBCVXSKW-SANMLTNESA-N -1 0 531.546 6.958 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OC[C@@H]5Cc6ccccc6N5C(C)=O)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)nc1 ZINC000049771595 562678219 /nfs/dbraw/zinc/67/82/19/562678219.db2.gz PNRYTEARGINAOS-PMERELPUSA-N -1 0 691.894 8.661 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)no1 ZINC000049775495 562679114 /nfs/dbraw/zinc/67/91/14/562679114.db2.gz SOONLSMFDWIFKR-UHFFFAOYSA-N -1 0 566.388 7.178 1 0 KKAFRM COc1c(Br)cc(Br)cc1Oc1c([O-])c(Br)c(Br)c(Br)c1Br ZINC000049776319 562679354 /nfs/dbraw/zinc/67/93/54/562679354.db2.gz PIKRCPZZFYHEJP-UHFFFAOYSA-N -1 0 689.612 7.768 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(CC(=O)[O-])cc3Cl)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049777045 562679610 /nfs/dbraw/zinc/67/96/10/562679610.db2.gz OKZROQNHAPLGIO-UHFFFAOYSA-N -1 0 533.955 7.364 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)[C@]1(C)O ZINC000049777859 562680618 /nfs/dbraw/zinc/68/06/18/562680618.db2.gz INBMKMXELMWKPA-UBJHOKIYSA-N -1 0 648.881 7.535 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(N4CCOCC4)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049778239 562681092 /nfs/dbraw/zinc/68/10/92/562681092.db2.gz WKTDHMQLSMMBQX-UHFFFAOYSA-N -1 0 729.899 7.097 1 0 KKAFRM C[C@@H]1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049780656 562682055 /nfs/dbraw/zinc/68/20/55/562682055.db2.gz QYLYWIBUJSSCSR-PCUGXKRQSA-N -1 0 571.507 6.377 1 0 KKAFRM Cc1sc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049780952 562682424 /nfs/dbraw/zinc/68/24/24/562682424.db2.gz HPRCKBOWJYALMP-UHFFFAOYSA-N -1 0 537.037 6.745 1 0 KKAFRM O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccccc1 ZINC000049781060 562682571 /nfs/dbraw/zinc/68/25/71/562682571.db2.gz QUSZOZYYCJJSKS-UHFFFAOYSA-N -1 0 539.657 5.144 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049781224 562682819 /nfs/dbraw/zinc/68/28/19/562682819.db2.gz VTAXSERYGLFJLT-UHFFFAOYSA-N -1 0 600.615 6.563 1 0 KKAFRM CCCOc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049785236 562683950 /nfs/dbraw/zinc/68/39/50/562683950.db2.gz SPJGDMFEODKEDY-UHFFFAOYSA-N -1 0 573.589 7.515 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])cc3C)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049785395 562684010 /nfs/dbraw/zinc/68/40/10/562684010.db2.gz HVRFEHXKUGFADS-UHFFFAOYSA-N -1 0 529.536 6.855 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049792665 562684427 /nfs/dbraw/zinc/68/44/27/562684427.db2.gz UVZZYYXZHATSLD-UHFFFAOYSA-N -1 0 586.588 6.428 1 0 KKAFRM COc1ccc(-c2nc(CSc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049793139 562684602 /nfs/dbraw/zinc/68/46/02/562684602.db2.gz KLBPSSUROZAJKN-UHFFFAOYSA-N -1 0 545.604 7.569 1 0 KKAFRM Cc1cc(OCc2nc(-c3cncnc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049793140 562684621 /nfs/dbraw/zinc/68/46/21/562684621.db2.gz FZWQQSPIFXVDBK-UHFFFAOYSA-N -1 0 501.417 5.048 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049793522 562684919 /nfs/dbraw/zinc/68/49/19/562684919.db2.gz VKHJXUQEHGJNIQ-PKYOQBLNSA-N -1 0 548.595 5.416 1 0 KKAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccc(OC(=O)c3ccccc3-c3ccccc3)cc1CC2 ZINC000049802485 562685709 /nfs/dbraw/zinc/68/57/09/562685709.db2.gz UUOJGXVBDRDQAJ-ATBKZWTNSA-N -1 0 720.803 6.677 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3ccccc3C3CCCC3)CCN(c3ccccc3OC)CC2)c1 ZINC000049802492 562685790 /nfs/dbraw/zinc/68/57/90/562685790.db2.gz RFOFXGJMMKXGDF-UHFFFAOYSA-N -1 0 564.704 5.340 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049803977 562686299 /nfs/dbraw/zinc/68/62/99/562686299.db2.gz AXPDGDWWEWKWCL-UHFFFAOYSA-N -1 0 610.585 6.884 1 0 KKAFRM COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)[C@@H](O)[C@H](CC(=O)[O-])N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000049841367 562688311 /nfs/dbraw/zinc/68/83/11/562688311.db2.gz YQWRZOYTCMLJFM-MINDXDAISA-N -1 0 686.761 6.356 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)C([C@H](C)CC(=O)C[C@H](C)C(=O)[O-])=CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000049877410 562690140 /nfs/dbraw/zinc/69/01/40/562690140.db2.gz NDWKRFXQWMPMBW-UCGRRSPDSA-N -1 0 512.731 7.150 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@@H]5[C@](C)(CC[C@H](OC(C)=O)[C@]5(C)C(=O)[O-])[C@H]4CC[C@@H]32)C1(C)C ZINC000049888792 562691476 /nfs/dbraw/zinc/69/14/76/562691476.db2.gz PCUYHPFKNRRINO-SRLPHFQZSA-N -1 0 590.798 5.512 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049898251 562692371 /nfs/dbraw/zinc/69/23/71/562692371.db2.gz RWXMXCKEDLIPGP-DMQCPTPKSA-N -1 0 645.925 8.388 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049898252 562692373 /nfs/dbraw/zinc/69/23/73/562692373.db2.gz RWXMXCKEDLIPGP-NKMVMGDDSA-N -1 0 645.925 8.388 1 0 KKAFRM Cc1cc(C)n(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)n1 ZINC000049898321 562692439 /nfs/dbraw/zinc/69/24/39/562692439.db2.gz QCDRBIVFPQVUHH-UHFFFAOYSA-N -1 0 711.284 7.228 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@@H]3CNC(=O)NC)nc2-c2ccc(C)cc2)c1 ZINC000049898545 562692627 /nfs/dbraw/zinc/69/26/27/562692627.db2.gz BOCKWGFSDAIAGV-LJAQVGFWSA-N -1 0 646.748 5.358 1 0 KKAFRM CC(=O)O[C@H]1[C@H](Br)C[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5[C@H]([C@](C)(Br)CBr)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000049933080 562694825 /nfs/dbraw/zinc/69/48/25/562694825.db2.gz FNYVFEZHSGPCEJ-NLYDOVLKSA-N -1 0 737.452 9.006 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(OCC(=O)[O-])c(Br)c2)cc1 ZINC000049938512 562695319 /nfs/dbraw/zinc/69/53/19/562695319.db2.gz NCKODDSPIOCWLK-UHFFFAOYSA-N -1 0 611.208 7.991 1 0 KKAFRM CCCCc1cc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)[O-])CC4)c(Cl)c3)sc2F)ccc1F ZINC000053226671 562696571 /nfs/dbraw/zinc/69/65/71/562696571.db2.gz YJRYUICTQJZWSQ-UHFFFAOYSA-N -1 0 535.016 6.033 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3C(F)(F)F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053230131 562696705 /nfs/dbraw/zinc/69/67/05/562696705.db2.gz IZLXLRQIUNJAIH-QRVIBDJDSA-N -1 0 543.519 6.228 1 0 KKAFRM CCCC[C@@H](Sc1nc(OCCC2CCCCCC2)cc(OCCC2CCCCCC2)n1)C(=O)[O-] ZINC000053297708 562697482 /nfs/dbraw/zinc/69/74/82/562697482.db2.gz PFAJPYMMIWKJDD-XMMPIXPASA-N -1 0 506.753 7.691 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C=C/CCCCCCCCCC=C(Br)Br ZINC000053298513 562697508 /nfs/dbraw/zinc/69/75/08/562697508.db2.gz BJXBYWAHDZGMQH-NXNYUAIASA-N -1 0 529.313 6.497 1 0 KKAFRM C[C@](Cc1ccc(Oc2cc(N3CCN(c4cccc(Cl)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000056948333 562697885 /nfs/dbraw/zinc/69/78/85/562697885.db2.gz KYJXLHJLEGGKPV-SSEXGKCCSA-N -1 0 560.054 5.296 1 0 in-vivo KKAFRM CCCCCCS[C@@H]1[C@@H](CCC)N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)[O-] ZINC000058583392 562700067 /nfs/dbraw/zinc/70/00/67/562700067.db2.gz LYLOTRWTWRZUPT-KEVKATSASA-N -1 0 582.626 7.055 1 0 KKAFRM CCC[C@@H]1[C@@H](Sc2ccc(OC)cc2)[C@@H](C(=O)[O-])[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000058592059 562700552 /nfs/dbraw/zinc/70/05/52/562700552.db2.gz FYOAZLOQQVMCPT-LGTXBLIGSA-N -1 0 604.588 6.542 1 0 KKAFRM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(=O)CO/N=C3/C=C[C@@]4(C)C(=C3)CC[C@H]3[C@@H]5CC[C@](C)(O)[C@]5(C)CC[C@H]34)c2c1 ZINC000058592755 562700638 /nfs/dbraw/zinc/70/06/38/562700638.db2.gz OAYWHZMJOWQING-UAFHMIACSA-N -1 0 589.733 5.396 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CC1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CC1 ZINC000058651325 562701325 /nfs/dbraw/zinc/70/13/25/562701325.db2.gz YWOXUUBDYGTWET-DNQXCXABSA-N -1 0 625.427 5.698 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2)=NO1 ZINC000059629590 562702088 /nfs/dbraw/zinc/70/20/88/562702088.db2.gz BEEUFHHXCZXYSU-HOFKKMOUSA-N -1 0 527.404 5.268 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC000059629838 562702092 /nfs/dbraw/zinc/70/20/92/562702092.db2.gz SEXLQHVQFBNERW-IDISGSTGSA-N -1 0 574.848 5.594 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ncoc4CCC3)CCCC2)cc1 ZINC000059826699 562702439 /nfs/dbraw/zinc/70/24/39/562702439.db2.gz OEZDVNZCDFPXLO-SFQUDFHCSA-N -1 0 606.723 7.069 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 ZINC000060328563 562702809 /nfs/dbraw/zinc/70/28/09/562702809.db2.gz KCLUDGINEHWPEF-HXUWFJFHSA-N -1 0 586.010 6.744 1 0 KKAFRM CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1cc(Cl)c([O-])c(Cl)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064448780 562705573 /nfs/dbraw/zinc/70/55/73/562705573.db2.gz QGNTYSFKRYRJPG-LJQANCHMSA-N -1 0 508.486 6.103 1 0 KKAFRM O=S(=O)([N-]c1nc(OCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccc2ccccc2c1 ZINC000064527636 562707080 /nfs/dbraw/zinc/70/70/80/562707080.db2.gz ZVFVETVIKVRTGY-UHFFFAOYSA-N -1 0 550.684 5.610 1 0 KKAFRM Cc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C1CCCCC1)n1c2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1 ZINC000064744159 562709147 /nfs/dbraw/zinc/70/91/47/562709147.db2.gz XAVJTYOBWCSWFJ-SANMLTNESA-N -1 0 537.994 7.402 1 0 in-vitro KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)cc1 ZINC000064746593 562709163 /nfs/dbraw/zinc/70/91/63/562709163.db2.gz OZGKPOZAIWDSQB-VWLOTQADSA-N -1 0 523.967 7.093 1 0 in-vitro KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1cccc(F)c1Cl ZINC000066066031 562709260 /nfs/dbraw/zinc/70/92/60/562709260.db2.gz NSDMPRXBJOCOJX-WGDIFIGCSA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)[O-])ccc3c2)cc1 ZINC000066076980 562710207 /nfs/dbraw/zinc/71/02/07/562710207.db2.gz SZUHDKKQQZPOGX-UHFFFAOYSA-N -1 0 533.411 8.264 1 0 in-vitro KKAFRM CCOc1ccccc1[C@@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000066077521 562710330 /nfs/dbraw/zinc/71/03/30/562710330.db2.gz VKBLREAORYIWRA-PIIWDFAUSA-N -1 0 559.103 5.303 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1ccccc1Cl ZINC000066079324 562710627 /nfs/dbraw/zinc/71/06/27/562710627.db2.gz SGSZXPGOMQXFLD-WXTAPIANSA-N -1 0 549.495 5.558 1 0 in-vitro KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCCCC(=O)Nc3cccc4ccccc43)nn2)cc1 ZINC000066101841 562711383 /nfs/dbraw/zinc/71/13/83/562711383.db2.gz IIILGAMSEDJWAF-UHFFFAOYSA-N -1 0 574.637 7.423 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066103997 562711628 /nfs/dbraw/zinc/71/16/28/562711628.db2.gz YUOWWVPIFXECSZ-UHFFFAOYSA-N -1 0 593.480 6.267 1 0 KKAFRM Cc1cccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3nc4ccc(F)cc4s3)nn2)c1 ZINC000066112231 562712010 /nfs/dbraw/zinc/71/20/10/562712010.db2.gz JWWWRDDHQLZPOL-UHFFFAOYSA-N -1 0 571.590 6.238 1 0 KKAFRM Cc1cc2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc2nc1C(=O)[O-] ZINC000066112652 562712056 /nfs/dbraw/zinc/71/20/56/562712056.db2.gz PEVIBGYEZJQLKU-UHFFFAOYSA-N -1 0 547.438 8.573 1 0 KKAFRM O=C(Nc1ccc(Oc2cc3ccccc3cc2Cl)c(Cl)c1)c1cc(Cl)cc(I)c1[O-] ZINC000066251220 562714446 /nfs/dbraw/zinc/71/44/46/562714446.db2.gz YDUPDZNRJUUQNE-UHFFFAOYSA-N -1 0 584.624 8.155 1 0 KKAFRM CC1(C)CC[C@]2(COC(=O)CCCCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000066252008 562714634 /nfs/dbraw/zinc/71/46/34/562714634.db2.gz SEYXCKMDGWEAKW-DLMKDUMGSA-N -1 0 568.839 8.545 1 0 KKAFRM CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)[C@]34OC(=O)[C@@]5(CCC(C)(C)C[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)[O-] ZINC000066262235 562715508 /nfs/dbraw/zinc/71/55/08/562715508.db2.gz NVOVOWGKRIQLSK-WVFFDDOJSA-N -1 0 504.708 5.334 1 0 KKAFRM CC(C)[C@H](NC(=O)c1ncc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Oc3ccccc3)cc2)s1)C(=O)[O-] ZINC000068267529 562716254 /nfs/dbraw/zinc/71/62/54/562716254.db2.gz HVRPUYBJQWUMTD-DEOSSOPVSA-N -1 0 565.051 6.739 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000070631575 562716450 /nfs/dbraw/zinc/71/64/50/562716450.db2.gz VYPAPFHUHDWCBI-CNSFRLJCSA-N -1 0 552.796 7.930 1 0 KKAFRM CC(C)(Cc1ccc(OCCCOc2ccc3c(c2)OC(C)(C)C=C3c2cccc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000071282159 562716739 /nfs/dbraw/zinc/71/67/39/562716739.db2.gz FTGQWQSVJNWEEF-UHFFFAOYSA-N -1 0 554.605 7.809 1 0 KKAFRM C/C(=C\c1cc(-c2ccc(OCc3cc(C(=O)N(C)C)ccc3-c3ccc(Cl)cc3)cc2)n(C2CCCCC2)n1)C(=O)[O-] ZINC000071294522 562716898 /nfs/dbraw/zinc/71/68/98/562716898.db2.gz UYPNYUGMPOPTMM-FCDQGJHFSA-N -1 0 598.143 8.144 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1F)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071296439 562717489 /nfs/dbraw/zinc/71/74/89/562717489.db2.gz QUESCGZAIZNLDN-SFHVURJKSA-N -1 0 552.039 6.749 1 0 KKAFRM CCCCN(c1cccc(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071296843 562717668 /nfs/dbraw/zinc/71/76/68/562717668.db2.gz BDJSGWHOSXSQIT-OAQYLSRUSA-N -1 0 530.086 6.780 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1Cl)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071316722 562718023 /nfs/dbraw/zinc/71/80/23/562718023.db2.gz FREIJBPNQYJDDY-LJQANCHMSA-N -1 0 550.504 7.125 1 0 KKAFRM Cc1c(C)c(S(=O)(=O)N(CCCC(F)(F)F)c2cccc(-c3ccc(Cl)cc3)c2C)ccc1O[C@@H](C)C(=O)[O-] ZINC000071316740 562718054 /nfs/dbraw/zinc/71/80/54/562718054.db2.gz LKVUTGRIULEFGJ-FQEVSTJZSA-N -1 0 584.056 7.322 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071317002 562718112 /nfs/dbraw/zinc/71/81/12/562718112.db2.gz AGOONXNQGYHFDR-HXUWFJFHSA-N -1 0 546.085 6.480 1 0 KKAFRM COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5cc4C(=O)[O-])CC3)nc2-c2ccc(C)cc2)cc1 ZINC000071317981 562718339 /nfs/dbraw/zinc/71/83/39/562718339.db2.gz RGRSPCCFTMZQAL-UHFFFAOYSA-N -1 0 558.638 5.941 1 0 KKAFRM CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCCCCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071318170 562718430 /nfs/dbraw/zinc/71/84/30/562718430.db2.gz ZFJXFIPTJNUSQS-MOXFEQOMSA-N -1 0 546.789 7.572 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](CC)C(=O)[O-])c(C)c1C ZINC000071319346 562718772 /nfs/dbraw/zinc/71/87/72/562718772.db2.gz DBXQFQRUXGQRKN-AREMUKBSSA-N -1 0 544.113 7.170 1 0 KKAFRM CCCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071329242 562718854 /nfs/dbraw/zinc/71/88/54/562718854.db2.gz JMUCTZKIFLBQIM-QFIPXVFZSA-N -1 0 544.113 7.170 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1OC(F)(F)F)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071329638 562718926 /nfs/dbraw/zinc/71/89/26/562718926.db2.gz OQVWOPQOCVCGSW-IBGZPJMESA-N -1 0 600.055 7.370 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000071333774 562719503 /nfs/dbraw/zinc/71/95/03/562719503.db2.gz ZHRWZJXYDCRBTJ-YRLAADBYSA-N -1 0 541.779 7.238 1 0 KKAFRM CC[C@@H](Oc1ccc(SCc2ccc(Cl)cc2)cc1)C(=O)c1nc(C)c(CCCC(=O)[O-])s1 ZINC000071334503 562719608 /nfs/dbraw/zinc/71/96/08/562719608.db2.gz VXBKKULJASNLIC-OAQYLSRUSA-N -1 0 504.073 6.845 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000071340462 562719748 /nfs/dbraw/zinc/71/97/48/562719748.db2.gz QYNYSIOWDVIGEA-DRBKCPGESA-N -1 0 558.810 6.790 1 0 KKAFRM CCCc1ccc(S(=O)(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)[O-])cc1 ZINC000071340735 562719805 /nfs/dbraw/zinc/71/98/05/562719805.db2.gz OHRUUDMGMYTELY-WHTZSWQOSA-N -1 0 507.762 6.523 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000071340764 562719828 /nfs/dbraw/zinc/71/98/28/562719828.db2.gz YRWPFCFZYUYSKD-MDUMFEEVSA-N -1 0 533.678 6.589 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000071342013 562720097 /nfs/dbraw/zinc/72/00/97/562720097.db2.gz AJTVWQVETVBTSX-XUBWFJPMSA-N -1 0 516.729 6.119 1 0 KKAFRM CCC(CC)(c1ccc(CC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OCCCCCCC(=O)[O-])c(C)c1 ZINC000072106119 562720924 /nfs/dbraw/zinc/72/09/24/562720924.db2.gz GLMYTKFIZYUQJS-PMERELPUSA-N -1 0 510.759 8.163 1 0 KKAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1 ZINC000072117166 562723384 /nfs/dbraw/zinc/72/33/84/562723384.db2.gz JOFDSYLCZIHGGO-UHFFFAOYSA-N -1 0 629.779 6.211 1 0 in-vitro KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)[O-])[nH]c3c2)cc1 ZINC000072125848 562725245 /nfs/dbraw/zinc/72/52/45/562725245.db2.gz NGTSGVXSHKZKMK-UHFFFAOYSA-N -1 0 521.400 8.197 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3sc(C(=O)[O-])cc3c2)cc1 ZINC000072126050 562725254 /nfs/dbraw/zinc/72/52/54/562725254.db2.gz CSSPSSIDPFLEGN-UHFFFAOYSA-N -1 0 538.452 8.931 1 0 KKAFRM CC(=O)N1CCC[C@](NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCCC2)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000072129865 562726510 /nfs/dbraw/zinc/72/65/10/562726510.db2.gz KUYNFXOTODINBC-MINDAFKFSA-N -1 0 647.776 6.135 1 0 KKAFRM O=C([O-])CCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000072133980 562727058 /nfs/dbraw/zinc/72/70/58/562727058.db2.gz BYGRZUBINAXJEF-XNMGPUDCSA-N -1 0 622.317 6.622 1 0 KKAFRM CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)[O-])CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C ZINC000072140941 562729206 /nfs/dbraw/zinc/72/92/06/562729206.db2.gz RMNPKMCCZFVCHZ-AVPAOXDHSA-N -1 0 556.828 8.210 1 0 KKAFRM CC(C)c1nc(-c2ccc(F)c([N-]S(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1 ZINC000072176538 562731647 /nfs/dbraw/zinc/73/16/47/562731647.db2.gz KJUCPVIVNLPLEE-UHFFFAOYSA-N -1 0 667.739 6.584 1 0 in-vitro KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccccc1Br ZINC000072179595 562732357 /nfs/dbraw/zinc/73/23/57/562732357.db2.gz ZUMLKTASSKFUKL-HSBSSIIGSA-N -1 0 548.408 6.146 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000072180585 562732529 /nfs/dbraw/zinc/73/25/29/562732529.db2.gz JLDFZMSMBZVCGO-UHFFFAOYSA-N -1 0 512.414 6.358 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2ccc(Cl)cc2Cl)c1 ZINC000072180689 562732544 /nfs/dbraw/zinc/73/25/44/562732544.db2.gz VJMRBEHYCINNTC-UHFFFAOYSA-N -1 0 512.414 6.358 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1cccc(Cl)c1 ZINC000072180706 562732549 /nfs/dbraw/zinc/73/25/49/562732549.db2.gz ZEYATNRWXGLTLA-GUJBEJLQSA-N -1 0 503.957 6.037 1 0 KKAFRM CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)CC(C)(C)C(=O)[O-])CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C ZINC000072180900 562732622 /nfs/dbraw/zinc/73/26/22/562732622.db2.gz VKIPPRBPBZTLQP-NOTQIZRXSA-N -1 0 584.882 8.846 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000072316986 562733095 /nfs/dbraw/zinc/73/30/95/562733095.db2.gz STQJLCIXSTXFST-UHFFFAOYSA-N -1 0 577.681 6.658 1 0 KKAFRM CCN(C(=O)c1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 ZINC000073163573 562734218 /nfs/dbraw/zinc/73/42/18/562734218.db2.gz RVIAYIHTJMJVOV-UHFFFAOYSA-N -1 0 519.627 5.123 1 0 KKAFRM O=C([O-])CCCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 ZINC000073195949 562734968 /nfs/dbraw/zinc/73/49/68/562734968.db2.gz VVAOSIRKIPIEJD-UHFFFAOYSA-N -1 0 513.394 5.585 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1cccc2c3ccccc3oc21)C(=O)[O-] ZINC000073198670 562735818 /nfs/dbraw/zinc/73/58/18/562735818.db2.gz FMVDUGQVVFQSHP-DDMCLGOPSA-N -1 0 519.707 7.921 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(=O)n(Cc2ccc(Cl)c(O[C@H](C)C(=O)[O-])c2)c2cc(C(F)(F)F)ccc21 ZINC000073198893 562735884 /nfs/dbraw/zinc/73/58/84/562735884.db2.gz RWBHUSIDRJJGGU-CYBMUJFWSA-N -1 0 561.900 5.514 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073200061 562736056 /nfs/dbraw/zinc/73/60/56/562736056.db2.gz NCAWYFSYLMNGPT-UHFFFAOYSA-N -1 0 561.682 6.692 1 0 KKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(OCN3C(=O)c4ccccc4C3=O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000073298622 562737795 /nfs/dbraw/zinc/73/77/95/562737795.db2.gz SSOBJJKOBMODHJ-KPKJPENVSA-N -1 0 533.624 6.552 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(Cl)cc3)ccc2c1 ZINC000073312471 562737873 /nfs/dbraw/zinc/73/78/73/562737873.db2.gz QEZTXJNODCPWOW-HKBQPEDESA-N -1 0 604.128 7.344 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)[C@@H](c1c[nH]c2c1cc(C)cc2F)c1ccc(Cl)cc1 ZINC000073389642 562738585 /nfs/dbraw/zinc/73/85/85/562738585.db2.gz FYRJJCYFYLLOSC-LXFBAYGMSA-N -1 0 521.032 7.189 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(C(=O)Cc4ccccc4)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082138043 562739151 /nfs/dbraw/zinc/73/91/51/562739151.db2.gz LVKNTVIWVXRKPM-UHFFFAOYSA-N -1 0 667.806 8.511 1 0 KKAFRM CCCCCS(=O)(=O)[N-]C(=O)CCc1cc(C(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000082154350 562740349 /nfs/dbraw/zinc/74/03/49/562740349.db2.gz GTGFLPKTLRFYHB-UHFFFAOYSA-N -1 0 508.006 5.296 1 0 KKAFRM CCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000082158180 562741108 /nfs/dbraw/zinc/74/11/08/562741108.db2.gz JCGXAJBKICRLNV-VLZWGGNHSA-N -1 0 512.775 8.050 1 0 KKAFRM S=C([N-]c1ccccc1S[C@H](C=CNN=C1NN=C(c2ccccc2)[C@H](c2ccccc2)N1)c1ccccc1)Nc1ccccc1 ZINC000082190165 562742496 /nfs/dbraw/zinc/74/24/96/562742496.db2.gz ZJUYMFOFJRHRBN-KPKPHDDKSA-N -1 0 639.854 8.042 1 0 KKAFRM COc1ccc([C@H](Cc2ccc(-c3cc(C(=O)[O-])on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000084596403 562743682 /nfs/dbraw/zinc/74/36/82/562743682.db2.gz MZRTXTPBAYMJCA-QFIPXVFZSA-N -1 0 501.926 6.126 1 0 KKAFRM O=S(=O)([N-]c1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1)c1ccccc1OC(F)(F)F ZINC000084597053 562743931 /nfs/dbraw/zinc/74/39/31/562743931.db2.gz GLYQXLOIPRHQDT-UHFFFAOYSA-N -1 0 554.472 6.605 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)cc1 ZINC000084652118 562746413 /nfs/dbraw/zinc/74/64/13/562746413.db2.gz IFNNSLBDZGWYNS-UHFFFAOYSA-N -1 0 565.710 8.007 1 0 KKAFRM O=C(c1cc(Br)c([O-])c(Br)c1)c1nccc2c3ccc(Br)cc3[nH]c21 ZINC000084652176 562746450 /nfs/dbraw/zinc/74/64/50/562746450.db2.gz JIBBXIBLZPCSSH-UHFFFAOYSA-N -1 0 524.994 5.940 1 0 KKAFRM O=C([O-])c1c(-c2cn(Cc3ccccc3)nn2)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000084652708 562746642 /nfs/dbraw/zinc/74/66/42/562746642.db2.gz JUFXLBFLMHKZOV-UHFFFAOYSA-N -1 0 532.625 5.987 1 0 KKAFRM CN1CCOCCN(C)S(=O)(=O)[N-]C(=O)c2ccc3c(c2)n(C2CCCC2)c(c3C2CCCCC2)-c2ccccc2OCC1=O ZINC000084668574 562747652 /nfs/dbraw/zinc/74/76/52/562747652.db2.gz RRQIHGWMUUXDDY-UHFFFAOYSA-N -1 0 636.815 5.820 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084668578 562747716 /nfs/dbraw/zinc/74/77/16/562747716.db2.gz KVAJQTDLSYOZKU-QYEHROKOSA-N -1 0 535.607 7.751 1 0 KKAFRM CC(C)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])c1 ZINC000084668622 562747723 /nfs/dbraw/zinc/74/77/23/562747723.db2.gz ZFUSMHKFXKIZTH-DEOSSOPVSA-N -1 0 573.904 6.394 1 0 KKAFRM O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc(COc4cccc5ccccc54)c3)cc(=O)n21 ZINC000084670467 562748274 /nfs/dbraw/zinc/74/82/74/562748274.db2.gz IWDDMFWWYBSQGV-MHZLTWQESA-N -1 0 587.619 7.589 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCn3nccc3CC(=O)[O-])c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084690204 562749515 /nfs/dbraw/zinc/74/95/15/562749515.db2.gz LKWDPZUZTDDIOH-ZEQKJWHPSA-N -1 0 507.974 5.223 1 0 KKAFRM CCC(CC)(OCc1cn(CC[C@H]2O[C@H](c3cccc(OC)c3OC)c3cc(Cl)ccc3-n3cccc32)nn1)C(=O)[O-] ZINC000084703793 562749793 /nfs/dbraw/zinc/74/97/93/562749793.db2.gz SDMYGSZPJKTJBU-IXCJQBJRSA-N -1 0 595.096 6.150 1 0 KKAFRM O=C([O-])c1c(-c2cn(Cc3ccccc3)nn2)sc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000084705804 562749929 /nfs/dbraw/zinc/74/99/29/562749929.db2.gz RVMLIQGCRMRRQU-UHFFFAOYSA-N -1 0 636.655 7.796 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(C(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084712141 562750752 /nfs/dbraw/zinc/75/07/52/562750752.db2.gz OJQADIGNEXQKKR-AOYPEHQESA-N -1 0 525.001 5.022 1 0 KKAFRM Cc1cccc(-c2sc3c(-c4cn(C)c5ccccc45)c(COc4cccc5ccccc54)c(CN4CCOCC4)c(=O)n3c2C(=O)[O-])c1 ZINC000084713572 562750941 /nfs/dbraw/zinc/75/09/41/562750941.db2.gz RASMSFJRQPWPFT-UHFFFAOYSA-N -1 0 669.803 7.758 1 0 KKAFRM Cn1cc(-c2c3n(c(=O)cc2COc2cccc4ccccc42)[C@H](C(=O)[O-])[C@@H](c2ccccc2)S3)c2ccccc21 ZINC000084728969 562751496 /nfs/dbraw/zinc/75/14/96/562751496.db2.gz DYCQBUZCGNTSIM-AJQTZOPKSA-N -1 0 558.659 7.212 1 0 KKAFRM CC1=CCC[C@@H](C)[C@]1(C)CC[C@@]1(C)[C@@H]2CC[C@@]3(C)[C@@H]4Cc5c(c([C@H](O)C(=O)[O-])ccc5O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000084740683 562752096 /nfs/dbraw/zinc/75/20/96/562752096.db2.gz BIWPAJKWWZONNW-WXGARKTISA-N -1 0 592.861 8.097 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084756800 562752304 /nfs/dbraw/zinc/75/23/04/562752304.db2.gz SMQHICHIKHDWQK-JOCHJYFZSA-N -1 0 559.080 5.967 1 0 KKAFRM Cc1cc(OC2CCS(=O)(=O)CC2)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084758506 562752626 /nfs/dbraw/zinc/75/26/26/562752626.db2.gz NLYTXAJRXMLXSQ-JOCHJYFZSA-N -1 0 554.636 5.595 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084758676 562752679 /nfs/dbraw/zinc/75/26/79/562752679.db2.gz TZRMVMQZTUFNGG-JOCHJYFZSA-N -1 0 542.625 5.453 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccc3ccccc3c2)cc1 ZINC000084758799 562752732 /nfs/dbraw/zinc/75/27/32/562752732.db2.gz GONUFXKJXSNHPY-UHFFFAOYSA-N -1 0 509.646 7.581 1 0 KKAFRM Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084759389 562752899 /nfs/dbraw/zinc/75/28/99/562752899.db2.gz BBWSUMXKRYUIHW-RUZDIDTESA-N -1 0 529.633 5.891 1 0 KKAFRM O=C1C[C@H](c2ccc(O)cc2)Oc2cc(Oc3c(O)cc4c(c3[O-])C(=O)C[C@H](c3ccc(O)cc3)O4)cc(O)c21 ZINC000086029090 562753453 /nfs/dbraw/zinc/75/34/53/562753453.db2.gz OLBAQTBUPDCRFE-DNQXCXABSA-N -1 0 542.496 5.420 1 0 KKAFRM CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc43)c(c2)C=CCCS(=O)(=O)[N-]C1=O ZINC000095537490 562754385 /nfs/dbraw/zinc/75/43/85/562754385.db2.gz VVKRPMGHXKCZMU-CZLMSQEESA-N -1 0 828.001 7.788 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2c(Cl)cccc2Cl)cc1 ZINC000095540650 562755868 /nfs/dbraw/zinc/75/58/68/562755868.db2.gz NDUIKMLASCBNJW-UHFFFAOYSA-N -1 0 780.195 9.771 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000095542311 562756628 /nfs/dbraw/zinc/75/66/28/562756628.db2.gz VITFWETUDKTLHA-HTVAGRJCSA-N -1 0 756.837 5.992 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000095542901 562756909 /nfs/dbraw/zinc/75/69/09/562756909.db2.gz OFOGOAQOIPVATJ-UHFFFAOYSA-N -1 0 763.284 7.587 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000095543223 562757154 /nfs/dbraw/zinc/75/71/54/562757154.db2.gz LDAOAUUOMZFWNE-YDAXCOIMSA-N -1 0 772.862 5.648 1 0 KKAFRM COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCCC(=O)[O-])CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545512 562758101 /nfs/dbraw/zinc/75/81/01/562758101.db2.gz KVYXGCNCFPIESF-KDXMTYKHSA-N -1 0 751.708 7.003 1 0 KKAFRM CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)COc2ccc(OCC(=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000095554054 562761145 /nfs/dbraw/zinc/76/11/45/562761145.db2.gz GZFUXHZJBICHDC-OYCAULIZSA-N -1 0 801.921 6.554 1 0 KKAFRM Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2ncc(Cl)s2)cc1F ZINC000095581102 562772087 /nfs/dbraw/zinc/77/20/87/562772087.db2.gz IYVMGWWXEPCKLB-UHFFFAOYSA-N -1 0 500.911 5.207 1 0 KKAFRM CC(=O)O[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000095557306 562762107 /nfs/dbraw/zinc/76/21/07/562762107.db2.gz JHTUFPXDGZSUCN-JSOSNVBQSA-N -1 0 564.638 5.059 1 0 KKAFRM C[C@H](Oc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C(=O)N(C)Cc4ccc(F)cc4)c4ccccc4)ccc3n2)cc1)C(=O)[O-] ZINC000095558815 562762560 /nfs/dbraw/zinc/76/25/60/562762560.db2.gz IFRHYCUCKUPKFP-WTMVGVENSA-N -1 0 710.762 7.275 1 0 KKAFRM O=C([O-])Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)NCC(c3ccccc3)c3ccccc3)c2)c(Cl)c1 ZINC000095559539 562762749 /nfs/dbraw/zinc/76/27/49/562762749.db2.gz LXIBPBIVTHEEQG-UHFFFAOYSA-N -1 0 536.411 6.680 1 0 KKAFRM COc1ccc(/C=C2\OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000095563511 562763993 /nfs/dbraw/zinc/76/39/93/562763993.db2.gz PFYWKGUTCUHXDB-QVARGSHZSA-N -1 0 746.040 7.545 1 0 KKAFRM O=C([O-])C1=CC[C@@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000095569029 562767126 /nfs/dbraw/zinc/76/71/26/562767126.db2.gz NTPZHGUMRRCCLA-GOTSBHOMSA-N -1 0 524.372 6.160 3 0 KKAFRM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095571518 562769108 /nfs/dbraw/zinc/76/91/08/562769108.db2.gz YSXIVJXGDJXBNS-UYXZNNOOSA-N -1 0 669.122 5.544 1 0 KKAFRM CN(Cc1ccc(-c2nccnc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000095572282 562769407 /nfs/dbraw/zinc/76/94/07/562769407.db2.gz BJINUHXRLLDZQJ-UHFFFAOYSA-N -1 0 516.520 5.739 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1cc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000095572406 562769422 /nfs/dbraw/zinc/76/94/22/562769422.db2.gz SGHHKDAEMQQYOU-CEURZZNXSA-N -1 0 811.832 7.677 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccc2ncccc2c1 ZINC000095575854 562770469 /nfs/dbraw/zinc/77/04/69/562770469.db2.gz OSRWABOJZUEBDO-WOJGMQOQSA-N -1 0 612.730 7.440 1 0 KKAFRM CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)cs1 ZINC000095576517 562770663 /nfs/dbraw/zinc/77/06/63/562770663.db2.gz XXFLNOHGBFSIOU-UHFFFAOYSA-N -1 0 640.766 6.255 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cc3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095577098 562770822 /nfs/dbraw/zinc/77/08/22/562770822.db2.gz KOHMWJHRWQBBEZ-LSDHQDQOSA-N -1 0 610.154 7.935 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3cccc(N)n3)c4C3CCCC3)ccc21 ZINC000095577447 562770995 /nfs/dbraw/zinc/77/09/95/562770995.db2.gz XMNVKSSQYZYEJY-UHFFFAOYSA-N -1 0 592.700 5.817 1 0 KKAFRM COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CCCCCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095577882 562771137 /nfs/dbraw/zinc/77/11/37/562771137.db2.gz ZLRFWHFAUKYRHA-ZWMXYEIISA-N -1 0 531.778 6.755 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cc1 ZINC000095578598 562771314 /nfs/dbraw/zinc/77/13/14/562771314.db2.gz VOBJKLAKDKPUKT-VXLYETTFSA-N -1 0 610.154 7.935 1 0 KKAFRM COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCCCCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095579051 562771432 /nfs/dbraw/zinc/77/14/32/562771432.db2.gz NWZRWMIMJZOXKD-ZWMXYEIISA-N -1 0 532.762 7.182 1 0 KKAFRM CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cs1 ZINC000095579254 562771467 /nfs/dbraw/zinc/77/14/67/562771467.db2.gz KOZIIOJSOSMHEA-SFQUDFHCSA-N -1 0 599.757 6.270 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(/C=C/c2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095580042 562771748 /nfs/dbraw/zinc/77/17/48/562771748.db2.gz CNPQBJITUPONAD-ARZXGFDFSA-N -1 0 549.032 10.078 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccsc4)c5C4CCCC4)CCC3)ccc21 ZINC000095580204 562771784 /nfs/dbraw/zinc/77/17/84/562771784.db2.gz KVZVLKHDEYWPCH-UHFFFAOYSA-N -1 0 594.737 7.046 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccc(C(C)C)cc1)n2C(=O)c1ccc(Cl)cc1 ZINC000095580924 562772017 /nfs/dbraw/zinc/77/20/17/562772017.db2.gz UODIKJCPAGHGEV-UHFFFAOYSA-N -1 0 553.080 5.861 1 0 KKAFRM CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2Cl)C1 ZINC000095581047 562772030 /nfs/dbraw/zinc/77/20/30/562772030.db2.gz QGDYQAMRNMISJB-UHFFFAOYSA-N -1 0 554.456 5.532 1 0 KKAFRM Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Br ZINC000095581528 562772229 /nfs/dbraw/zinc/77/22/29/562772229.db2.gz JGADMJKZWZSVHV-UHFFFAOYSA-N -1 0 527.372 5.177 1 0 KKAFRM CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccc3c(c2)CO[P@](=O)([O-])O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)cc1 ZINC000095581815 562772311 /nfs/dbraw/zinc/77/23/11/562772311.db2.gz KTSPUDSXKZRWBO-LQJZCPKCSA-N -1 0 713.724 5.536 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2F)c(F)c1 ZINC000095582094 562772457 /nfs/dbraw/zinc/77/24/57/562772457.db2.gz RWDWUESWJKPYHZ-UHFFFAOYSA-N -1 0 502.446 5.219 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)n2C(=O)c1ccc(Cl)cc1 ZINC000095582217 562772467 /nfs/dbraw/zinc/77/24/67/562772467.db2.gz OLBLIMPINUKZTM-UHFFFAOYSA-N -1 0 594.995 5.637 1 0 KKAFRM O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3nncs3)cc2Cl)c1)N1CCC1 ZINC000095582387 562772519 /nfs/dbraw/zinc/77/25/19/562772519.db2.gz ZZOLQAWNPLBNFD-UHFFFAOYSA-N -1 0 579.462 6.090 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095582574 562772582 /nfs/dbraw/zinc/77/25/82/562772582.db2.gz KUHJDDVUUTYSLT-UHFFFAOYSA-N -1 0 514.457 5.490 1 0 KKAFRM O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2Cl)c1)N1CCC1 ZINC000095583585 562772966 /nfs/dbraw/zinc/77/29/66/562772966.db2.gz YZZOHDRXZALNAD-UHFFFAOYSA-N -1 0 578.474 6.695 1 0 KKAFRM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2cc(F)c(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095584007 562773098 /nfs/dbraw/zinc/77/30/98/562773098.db2.gz CUWMMPJNTOAAJJ-UHFFFAOYSA-N -1 0 565.889 5.418 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2-c2ccccc2)cc1F ZINC000095584081 562773122 /nfs/dbraw/zinc/77/31/22/562773122.db2.gz YXTLLQCQMPEKHW-UHFFFAOYSA-N -1 0 527.002 6.381 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3cccc(C(=O)[O-])c3)CC2)c(F)c1 ZINC000095587453 562774300 /nfs/dbraw/zinc/77/43/00/562774300.db2.gz LKGAUWHHACZBME-UHFFFAOYSA-N -1 0 578.640 7.793 1 0 KKAFRM CCNC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095588989 562774770 /nfs/dbraw/zinc/77/47/70/562774770.db2.gz MWAFLDQEXDZJCF-UHFFFAOYSA-N -1 0 514.818 5.693 1 0 KKAFRM Cc1c2cc(-c3ncco3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3cccc(C(=O)[O-])c3)CC2)nc1 ZINC000095589928 562775100 /nfs/dbraw/zinc/77/51/00/562775100.db2.gz RJPFISNOUKNULU-UHFFFAOYSA-N -1 0 552.587 6.037 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5cc(Cl)cc(Cl)c5)c4=S)CC3)c(F)cc2c1=O ZINC000095594978 562776601 /nfs/dbraw/zinc/77/66/01/562776601.db2.gz JJIORDDWVHOGHX-UHFFFAOYSA-N -1 0 681.577 6.349 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(Cl)c5)n(-c5ccc(F)cc5F)c4=S)CC3)c(F)cc2c1=O ZINC000095595330 562776711 /nfs/dbraw/zinc/77/67/11/562776711.db2.gz QEWJZKFBKAEPIC-UHFFFAOYSA-N -1 0 667.113 6.269 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095598752 562777487 /nfs/dbraw/zinc/77/74/87/562777487.db2.gz DDSCLAZWRCKZSX-ISCCLHIJSA-N -1 0 648.704 5.199 1 0 KKAFRM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599034 562777730 /nfs/dbraw/zinc/77/77/30/562777730.db2.gz MAFQTNOLKRXSIQ-ZUHGBKBGSA-N -1 0 740.867 6.527 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000095606039 562781861 /nfs/dbraw/zinc/78/18/61/562781861.db2.gz XUYHYSLYVOANEL-SNXGKTBFSA-N -1 0 802.152 7.852 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)CCc1ccccc1 ZINC000095606037 562781873 /nfs/dbraw/zinc/78/18/73/562781873.db2.gz PHMPBYBSYKLZIN-QFIPXVFZSA-N -1 0 736.171 6.752 1 0 KKAFRM CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(OCc6ccccc6)c(OC)c5OC)CC4)cc-3o2)ccc1OC ZINC000095607326 562782731 /nfs/dbraw/zinc/78/27/31/562782731.db2.gz JVFRIJCADGYYCX-UHFFFAOYSA-N -1 0 768.816 5.436 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000095608110 562783350 /nfs/dbraw/zinc/78/33/50/562783350.db2.gz JKQUXYFWPPTBFX-UHFFFAOYSA-N -1 0 749.207 8.672 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000095612063 562785252 /nfs/dbraw/zinc/78/52/52/562785252.db2.gz FSDCNZGYSKSVOW-DORXLWPQSA-N -1 0 752.145 6.972 1 0 KKAFRM CC[C@H](NC(=O)[C@@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095612693 562785750 /nfs/dbraw/zinc/78/57/50/562785750.db2.gz QAIHVKONQJKIDS-PDLKOHORSA-N -1 0 756.897 5.353 1 0 KKAFRM CC[C@H](NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095612694 562785761 /nfs/dbraw/zinc/78/57/61/562785761.db2.gz QAIHVKONQJKIDS-LGTVNCNGSA-N -1 0 756.897 5.353 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(Cc4ccc(C(=O)[O-])cc4)c4ccc(Br)cc4)cc3)C[C@@]21C ZINC000095612873 562785896 /nfs/dbraw/zinc/78/58/96/562785896.db2.gz HDSCFVIRPIBCNU-GZKQBEFDSA-N -1 0 761.757 8.471 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2c(F)cccc2C(F)(F)F)cc1 ZINC000095613253 562786166 /nfs/dbraw/zinc/78/61/66/562786166.db2.gz BIGWPBXNPUZOHV-UHFFFAOYSA-N -1 0 751.198 8.931 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000095613289 562786199 /nfs/dbraw/zinc/78/61/99/562786199.db2.gz YOAHLSGFXZQUJO-UHFFFAOYSA-N -1 0 747.235 9.226 1 0 KKAFRM O=C([O-])C(CCCNC(=O)c1ccc2cccnc2c1O)(CCCNC(=O)c1ccc2cccnc2c1O)CCCNC(=O)c1ccc2cccnc2c1O ZINC000095613535 562786337 /nfs/dbraw/zinc/78/63/37/562786337.db2.gz DFXMRCPRFOJJHQ-UHFFFAOYSA-N -1 0 744.805 5.449 1 0 KKAFRM Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccccc4)sc3c(=O)n2Cc2ccccc2)c([S-])cc1Cl ZINC000095615230 562787174 /nfs/dbraw/zinc/78/71/74/562787174.db2.gz KNZURVKYSJPDKQ-UHFFFAOYSA-N -1 0 554.118 6.225 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2ccc(F)cc2F)cc1 ZINC000095615251 562787223 /nfs/dbraw/zinc/78/72/23/562787223.db2.gz ULTFSGMMWXAITC-UHFFFAOYSA-N -1 0 747.285 8.742 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccc(OC)cc1C)c2=O ZINC000096169961 562790970 /nfs/dbraw/zinc/79/09/70/562790970.db2.gz NBMZEJFXQGVFSY-UHFFFAOYSA-N -1 0 608.676 5.046 1 0 KKAFRM O=c1nc(-c2ccccc2-c2ccc(Cn3c4sc(CC(F)(F)F)cc4c(=O)n(CCc4ccc(Cl)cc4)c3=O)cc2)[n-]o1 ZINC000096169956 562790972 /nfs/dbraw/zinc/79/09/72/562790972.db2.gz HHTLVTUWXVYCIY-UHFFFAOYSA-N -1 0 639.055 6.697 1 0 KKAFRM O=c1nc(-c2ccccc2-c2ccc(Cn3c4sc(CC(F)(F)F)cc4c(=O)n(CCc4cccc(F)c4)c3=O)cc2)[n-]o1 ZINC000096169958 562790978 /nfs/dbraw/zinc/79/09/78/562790978.db2.gz SEBOIIRKKXAFQT-UHFFFAOYSA-N -1 0 622.600 6.182 1 0 KKAFRM CC1(C)CC([C@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)c2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000096170590 562791175 /nfs/dbraw/zinc/79/11/75/562791175.db2.gz MYZIDYJMNWEJMC-HSZRJFAPSA-N -1 0 515.536 5.080 1 0 KKAFRM Cc1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000096171986 562791192 /nfs/dbraw/zinc/79/11/92/562791192.db2.gz IGWNAKXRVQEUAH-QXHQOQETSA-N -1 0 610.836 5.690 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OCC3(O)CC3)CC2)c2ccnn21 ZINC000096178380 562792645 /nfs/dbraw/zinc/79/26/45/562792645.db2.gz IOLSCZVOELTZLK-UHFFFAOYSA-N -1 0 595.700 5.075 1 0 KKAFRM O=C([O-])c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1 ZINC000096258256 562792850 /nfs/dbraw/zinc/79/28/50/562792850.db2.gz BSMBIANOOOSMJL-UHFFFAOYSA-N -1 0 544.677 5.383 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000096258551 562792876 /nfs/dbraw/zinc/79/28/76/562792876.db2.gz MEVKDZWDDXMIBY-MUUNZHRXSA-N -1 0 705.633 7.205 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000096258552 562792918 /nfs/dbraw/zinc/79/29/18/562792918.db2.gz MEVKDZWDDXMIBY-NDEPHWFRSA-N -1 0 705.633 7.205 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1 ZINC000096258564 562792928 /nfs/dbraw/zinc/79/29/28/562792928.db2.gz XQMXMNYUDCUVAS-MUUNZHRXSA-N -1 0 705.633 7.205 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3F)[C@@]3(C[C@H]3C(=O)[O-])CCC4)cc2[C@@H]2CCCC2(C)C)c1 ZINC000096270317 562793201 /nfs/dbraw/zinc/79/32/01/562793201.db2.gz XUHVNASBWIGDAU-IYKVEEHISA-N -1 0 546.654 8.192 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271140 562793702 /nfs/dbraw/zinc/79/37/02/562793702.db2.gz ZMAXVTAWTZURSH-QMOZSOIISA-N -1 0 681.723 5.921 1 0 KKAFRM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271143 562793707 /nfs/dbraw/zinc/79/37/07/562793707.db2.gz OAJHLAOVFHQCHI-MXSCXNJPSA-N -1 0 653.669 5.285 1 0 KKAFRM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271152 562793722 /nfs/dbraw/zinc/79/37/22/562793722.db2.gz SSMWFUMJLPTKNG-GOTSBHOMSA-N -1 0 548.573 5.584 1 0 KKAFRM CCCCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283221 562794847 /nfs/dbraw/zinc/79/48/47/562794847.db2.gz WWOHSJOYQVGZJB-UHFFFAOYSA-N -1 0 569.662 5.784 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cccc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283756 562794942 /nfs/dbraw/zinc/79/49/42/562794942.db2.gz KKVYNTBAANIGJU-QHCPKHFHSA-N -1 0 567.951 6.410 1 0 KKAFRM O=C([O-])/C=C/C(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283793 562794994 /nfs/dbraw/zinc/79/49/94/562794994.db2.gz ZQRQLCVEOGQBJA-YAOQVBECSA-N -1 0 576.834 5.930 1 0 KKAFRM C[C@@H](C[N-]S(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283841 562795014 /nfs/dbraw/zinc/79/50/14/562795014.db2.gz IEXDCWRFIVVYQY-XDHUDOTRSA-N -1 0 505.537 5.414 1 0 KKAFRM Cc1nc(Nc2ccc(C(=O)[O-])cc2)ncc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000096285406 562795650 /nfs/dbraw/zinc/79/56/50/562795650.db2.gz CDDUGYMASQDEKR-LJAQVGFWSA-N -1 0 605.139 5.503 1 0 KKAFRM CC(=C\c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)n1)/C=C(/C)C(=O)[O-] ZINC000096285480 562795738 /nfs/dbraw/zinc/79/57/38/562795738.db2.gz VSQJXCVSJFGYOG-KKIMGCJWSA-N -1 0 544.717 7.137 1 0 KKAFRM O=C([O-])c1ccc(F)c(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)c1 ZINC000096285482 562795758 /nfs/dbraw/zinc/79/57/58/562795758.db2.gz QBAYPOMGILPZDT-QNGWXLTQSA-N -1 0 738.841 8.993 1 0 KKAFRM O=C([O-])c1cc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)ccc1F ZINC000096285489 562795767 /nfs/dbraw/zinc/79/57/67/562795767.db2.gz OHFHNJBBMDHQRR-QNGWXLTQSA-N -1 0 738.841 8.993 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096902459 562797451 /nfs/dbraw/zinc/79/74/51/562797451.db2.gz DEUVWDPIFYJACA-HQXQTUKGSA-N -1 0 603.892 7.908 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCC(=O)[O-])C3 ZINC000096906226 562798721 /nfs/dbraw/zinc/79/87/21/562798721.db2.gz HCWBJLWPBSQONJ-BAAQAFCJSA-N -1 0 565.839 9.383 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2cnccn2)cc1 ZINC000096909581 562799598 /nfs/dbraw/zinc/79/95/98/562799598.db2.gz MOPTUCBIIUBFAL-AREMUKBSSA-N -1 0 509.606 5.348 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000096909571 562799614 /nfs/dbraw/zinc/79/96/14/562799614.db2.gz BUHWDRGQLOQVKS-GDLZYMKVSA-N -1 0 507.630 6.558 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)COCC(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 ZINC000096927792 562802687 /nfs/dbraw/zinc/80/26/87/562802687.db2.gz HYKBTYZJTKWWLZ-JISQPLMFSA-N -1 0 504.627 5.463 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](OCc3ccccc3)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096927769 562802696 /nfs/dbraw/zinc/80/26/96/562802696.db2.gz DNZVFUHSCAAGPC-AZMDJBEUSA-N -1 0 652.960 10.653 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)[C@@H]5CC=CC[C@@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 ZINC000096927788 562802709 /nfs/dbraw/zinc/80/27/09/562802709.db2.gz JHTFVLNGWJTJBI-KQURCIIDSA-N -1 0 540.704 7.029 1 0 KKAFRM CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)c2ccccc2C(=O)[O-])C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934465 562803879 /nfs/dbraw/zinc/80/38/79/562803879.db2.gz CRYHFAYVGUAMGK-PDCSQVAOSA-N -1 0 624.859 7.275 1 0 KKAFRM O=S(=O)([N-]c1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000096934774 562803967 /nfs/dbraw/zinc/80/39/67/562803967.db2.gz KSUZBWNYVFBTQE-UHFFFAOYSA-N -1 0 512.846 5.890 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000098082785 562805333 /nfs/dbraw/zinc/80/53/33/562805333.db2.gz PYOXONALANISON-SANMLTNESA-N -1 0 526.054 7.265 1 0 KKAFRM CC(=O)NC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000098084358 562805677 /nfs/dbraw/zinc/80/56/77/562805677.db2.gz QRWIOGIAJQSZGG-UHFFFAOYSA-N -1 0 640.111 8.222 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000098085302 562805791 /nfs/dbraw/zinc/80/57/91/562805791.db2.gz XDJYAFLOPHBJRT-NDEPHWFRSA-N -1 0 519.663 7.427 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000100467779 562807129 /nfs/dbraw/zinc/80/71/29/562807129.db2.gz BZXMLCVDKDXRQY-DKXQDJALSA-N -1 0 563.617 6.429 1 0 KKAFRM Cc1c([C@@H](c2ccc(Br)cc2)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000100485246 562807134 /nfs/dbraw/zinc/80/71/34/562807134.db2.gz IPJCTENAUYAQGS-HSZRJFAPSA-N -1 0 517.379 5.239 1 0 KKAFRM Cc1c([C@H](c2ccc(Br)cc2)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000100485249 562807150 /nfs/dbraw/zinc/80/71/50/562807150.db2.gz IPJCTENAUYAQGS-QHCPKHFHSA-N -1 0 517.379 5.239 1 0 KKAFRM COC(=O)C(=C([O-])c1ccc(Cn2ccc3ccc(NC(=O)CC4CCCC4)cc32)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000100830922 562808142 /nfs/dbraw/zinc/80/81/42/562808142.db2.gz ILDRIWKEYLRFCX-YTTGMZPUSA-N -1 0 602.709 5.415 1 0 KKAFRM Cc1cc(C)cc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000100847318 562808263 /nfs/dbraw/zinc/80/82/63/562808263.db2.gz NHVWTLKWIKMKNS-BHYZAODMSA-N -1 0 575.492 6.522 1 0 KKAFRM COc1ccc(CC[C@]2(C3CCCC3)CC([O-])=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000101087710 562809116 /nfs/dbraw/zinc/80/91/16/562809116.db2.gz ICHIQKXHMJFKHX-AREMUKBSSA-N -1 0 529.062 5.774 1 0 KKAFRM COc1cc(OC)c(CC[C@]2(C3CCCC3)CC([O-])=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000101101800 562809205 /nfs/dbraw/zinc/80/92/05/562809205.db2.gz MKOFABQFNUCNTD-HHHXNRCGSA-N -1 0 559.088 5.782 1 0 KKAFRM C[C@@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3cccs3)c2N(Cc2ccc3ccccc3c2)C1=O ZINC000101337563 562810339 /nfs/dbraw/zinc/81/03/39/562810339.db2.gz FRTOLCKMUDEYIX-KAUXGEHWSA-N -1 0 502.617 5.070 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(Br)cc1)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103207872 562816515 /nfs/dbraw/zinc/81/65/15/562816515.db2.gz VVGCPBNHQIEDIG-NPWCAHBGSA-N -1 0 566.473 6.629 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(OC)cc1)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103215275 562817024 /nfs/dbraw/zinc/81/70/24/562817024.db2.gz VPZLCKODEYLWJA-SIYKBWGXSA-N -1 0 517.603 5.875 1 0 KKAFRM Cc1sc(C(=O)CCc2cc(C)c(OCCC[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000103231072 562818228 /nfs/dbraw/zinc/81/82/28/562818228.db2.gz HXUUYXYBUHQKIC-TYBLODHISA-N -1 0 527.683 5.071 1 0 KKAFRM C[C@]1(c2nc3ccccc3o2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103239659 562819368 /nfs/dbraw/zinc/81/93/68/562819368.db2.gz CUIWBYKIKNCQJM-SSEXGKCCSA-N -1 0 540.551 5.503 1 0 KKAFRM O=C([O-])CCCCc1nc2cc(-c3cc(-c4nc5ccccc5o4)on3)ccc2c(=O)n1-c1ccc(F)cc1 ZINC000103240734 562819492 /nfs/dbraw/zinc/81/94/92/562819492.db2.gz MQDFORHXSYCTTI-UHFFFAOYSA-N -1 0 524.508 5.785 1 0 KKAFRM C[C@]1(c2ccc(F)cc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240788 562819499 /nfs/dbraw/zinc/81/94/99/562819499.db2.gz CRSQAMAGSKEBHU-GDLZYMKVSA-N -1 0 517.532 5.501 1 0 KKAFRM C[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c2)Nc2ccc(C(N)=[NH2+])cc21 ZINC000103240961 562819506 /nfs/dbraw/zinc/81/95/06/562819506.db2.gz CDBBJSUEGGAIBC-JTSJOTPCSA-N -1 0 505.574 5.897 1 0 KKAFRM O=C([O-])[C@H](CSCc1ccccc1)NC(=O)N(Cc1ccccc1)C(=O)c1cccc(-c2ccccc2)c1 ZINC000103242755 562819658 /nfs/dbraw/zinc/81/96/58/562819658.db2.gz XJCCBBQLSNMISS-NDEPHWFRSA-N -1 0 524.642 6.092 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)n1)C(=O)[O-] ZINC000103250133 562820164 /nfs/dbraw/zinc/82/01/64/562820164.db2.gz HXVCFWQPVFGPII-SFHVURJKSA-N -1 0 519.092 6.620 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1)C(=O)[O-] ZINC000103250204 562820192 /nfs/dbraw/zinc/82/01/92/562820192.db2.gz XOPOHNCFLHDJSL-NGALLESISA-N -1 0 521.152 7.314 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1)C(=O)[O-] ZINC000103250192 562820207 /nfs/dbraw/zinc/82/02/07/562820207.db2.gz IUAKPBKWPBMZHK-MRXNPFEDSA-N -1 0 531.918 7.820 1 0 KKAFRM C[C@@]1(c2nc3ccccc3o2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103256647 562820861 /nfs/dbraw/zinc/82/08/61/562820861.db2.gz CUIWBYKIKNCQJM-PMERELPUSA-N -1 0 540.551 5.503 1 0 KKAFRM CCCc1[nH]c2cc(C(=O)N[C@@H](CC)c3ccccc3)ccc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263755 562821777 /nfs/dbraw/zinc/82/17/77/562821777.db2.gz ZSCMQESHVHEFHC-HKBQPEDESA-N -1 0 530.668 7.958 1 0 KKAFRM COc1ncc(-c2cc3cc(-c4ccccc4)c(N)nc3cn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000103264475 562821984 /nfs/dbraw/zinc/82/19/84/562821984.db2.gz ABEDHXMOGHHQTM-UHFFFAOYSA-N -1 0 519.533 5.029 1 0 KKAFRM COc1ncc(-c2ccc3nc(N)c(-c4ccccc4)nc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000103264479 562821988 /nfs/dbraw/zinc/82/19/88/562821988.db2.gz JBMPVRPUGHDUOL-UHFFFAOYSA-N -1 0 519.533 5.029 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCCCCC(=O)[O-])CC[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 ZINC000103294961 562824487 /nfs/dbraw/zinc/82/44/87/562824487.db2.gz LMWOHFRJBVLSGA-XPWYKWPQSA-N -1 0 556.828 7.947 1 0 KKAFRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000110233821 562825467 /nfs/dbraw/zinc/82/54/67/562825467.db2.gz NQHLLXSOZSZOJZ-GBIJUZDQSA-N -1 0 611.075 5.547 1 0 KKAFRM CC1(C)[C@@H](CC(=O)N2CCc3c4cccnc4n(Cc4ccc(F)c(Cl)c4)c3C2)CC[C@@]1(C)C(=O)[O-] ZINC000112993324 562826123 /nfs/dbraw/zinc/82/61/23/562826123.db2.gz PWALABMMRUKGLB-WRHNGFHOSA-N -1 0 512.025 5.679 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000113162296 562826284 /nfs/dbraw/zinc/82/62/84/562826284.db2.gz TUOBMHOSEHCCIS-UHFFFAOYSA-N -1 0 538.853 5.866 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2C(F)(F)F)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000113166100 562826327 /nfs/dbraw/zinc/82/63/27/562826327.db2.gz CDRBZUVBPKPRTA-UHFFFAOYSA-N -1 0 538.853 5.866 1 0 KKAFRM COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000114366614 562828191 /nfs/dbraw/zinc/82/81/91/562828191.db2.gz TZBKVYWYAVLDHH-JGCGQSQUSA-N -1 0 552.631 5.628 1 0 KKAFRM CCCc1c(OCCCCN2C(=O)N[C@@](C)(c3ccc(C(=O)[O-])cc3)C2=O)ccc2c(C(F)(F)F)cc(=O)oc21 ZINC000116616356 562829466 /nfs/dbraw/zinc/82/94/66/562829466.db2.gz LOBNRPZGTMYNSH-MHZLTWQESA-N -1 0 560.525 5.089 1 0 KKAFRM CC1(C)C[C@@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(C4CC4)c3)s2)CC[C@@H]1C(=O)[O-] ZINC000117851352 562829850 /nfs/dbraw/zinc/82/98/50/562829850.db2.gz CGSROYCWVFWBML-IQGLISFBSA-N -1 0 532.588 6.338 1 0 KKAFRM C[C@H](NC(=O)c1c(Cl)sc(Cl)c1[C@H](O[C@H]1CCCCO1)c1cccc(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000118692881 562830475 /nfs/dbraw/zinc/83/04/75/562830475.db2.gz UUZOSJJYPGRLFD-OSGPJOMKSA-N -1 0 568.906 7.530 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2nc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000136317066 562831155 /nfs/dbraw/zinc/83/11/55/562831155.db2.gz CRFNZFBQPIZHDY-MJZVOSTQSA-N -1 0 553.018 5.558 1 0 KKAFRM COc1ccc(OCc2ccc(-c3nccnc3[N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1 ZINC000137231924 562831388 /nfs/dbraw/zinc/83/13/88/562831388.db2.gz HRBCKLQEWYETLK-UHFFFAOYSA-N -1 0 515.513 5.551 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(COc2cccc(Cl)c2)cc1)c1ccccc1C(F)(F)F ZINC000137238331 562831414 /nfs/dbraw/zinc/83/14/14/562831414.db2.gz BJDULRFTCORWTA-UHFFFAOYSA-N -1 0 519.932 6.196 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000137429282 562831459 /nfs/dbraw/zinc/83/14/59/562831459.db2.gz SMFGDGDMFXLDCU-LFIBNONCSA-N -1 0 624.713 6.825 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])cc1 ZINC000137944166 562831707 /nfs/dbraw/zinc/83/17/07/562831707.db2.gz IAXWLNXPJOTFTP-SQHAQQRYSA-N -1 0 526.589 5.646 1 0 KKAFRM COc1ccc(CC2CCOCC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000138220031 562831779 /nfs/dbraw/zinc/83/17/79/562831779.db2.gz HKXBBAYRKNIRPB-UHFFFAOYSA-N -1 0 522.602 5.291 1 0 KKAFRM O=C([O-])c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCOc1ccccc1 ZINC000139466221 562832518 /nfs/dbraw/zinc/83/25/18/562832518.db2.gz BRLWTVUGQTUPNI-UHFFFAOYSA-N -1 0 556.669 5.888 1 0 KKAFRM CC(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140246713 562832970 /nfs/dbraw/zinc/83/29/70/562832970.db2.gz IAQIMCJCSHASIS-WZZFPTNTSA-N -1 0 638.644 7.178 1 0 KKAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000142248138 562834062 /nfs/dbraw/zinc/83/40/62/562834062.db2.gz IAWVOODBIZSXKE-IBGZPJMESA-N -1 0 536.913 5.209 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4c(Br)c(C(=O)[O-])ccc43)s2)c1 ZINC000143278776 562834846 /nfs/dbraw/zinc/83/48/46/562834846.db2.gz PLPFVQVPQSDKPP-VWLOTQADSA-N -1 0 605.436 6.704 1 0 KKAFRM Cc1noc(C)c1-c1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)[O-])c(-c3ccc(Cl)cc3)c2C)cc1 ZINC000144577755 562836438 /nfs/dbraw/zinc/83/64/38/562836438.db2.gz MODVORZURPOLGV-NDEPHWFRSA-N -1 0 519.041 7.898 1 0 KKAFRM Cc1c2ccc(-c3ccc(Cl)cc3)cc2oc1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000146508861 562838618 /nfs/dbraw/zinc/83/86/18/562838618.db2.gz ULUVAGMIDCDIJH-NDEPHWFRSA-N -1 0 540.015 7.066 1 0 KKAFRM Cc1c2ccc(-c3ccc(Cl)cc3)cc2oc1C(=O)N[C@@H](Cc1ccc(OCc2ccoc2)cc1)C(=O)[O-] ZINC000146509693 562838655 /nfs/dbraw/zinc/83/86/55/562838655.db2.gz NJSZYYLHDYSUFT-SANMLTNESA-N -1 0 529.976 6.659 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1 ZINC000146522530 562838659 /nfs/dbraw/zinc/83/86/59/562838659.db2.gz LGQRYHJFERLFNG-MHZLTWQESA-N -1 0 543.982 6.027 1 0 KKAFRM CC[C@@H](c1ccccn1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000147268639 562839218 /nfs/dbraw/zinc/83/92/18/562839218.db2.gz WGSOZDLVXMXSND-UQCMEGJUSA-N -1 0 511.449 7.078 1 0 KKAFRM Cc1cncn1-c1cc(C(F)(F)F)ccc1-c1cccc2c1CCN(S(=O)(=O)N=c1[n-]cc(F)s1)C2 ZINC000147494469 562839423 /nfs/dbraw/zinc/83/94/23/562839423.db2.gz KCAFDAXZAOOGJL-UHFFFAOYSA-N -1 0 537.564 5.177 1 0 KKAFRM C[C@H](Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)[O-])nc1 ZINC000148085139 562840186 /nfs/dbraw/zinc/84/01/86/562840186.db2.gz YEELKKZLRZFITJ-SFHVURJKSA-N -1 0 517.988 6.586 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148116398 562840274 /nfs/dbraw/zinc/84/02/74/562840274.db2.gz WVWHYNOGJWZGSU-UHFFFAOYSA-N -1 0 519.479 5.290 1 0 KKAFRM Cc1cc(Cl)ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)[O-])nc2)cc1 ZINC000148196720 562840505 /nfs/dbraw/zinc/84/05/05/562840505.db2.gz VCKYCUBGUYSPNZ-UHFFFAOYSA-N -1 0 548.426 6.488 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(F)c2)cn1 ZINC000148206583 562840560 /nfs/dbraw/zinc/84/05/60/562840560.db2.gz VVWQFBXYLMCLHT-UHFFFAOYSA-N -1 0 556.396 6.817 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148276834 562840839 /nfs/dbraw/zinc/84/08/39/562840839.db2.gz RESBMXCHMJNOLO-UHFFFAOYSA-N -1 0 517.944 5.665 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 ZINC000148309860 562840946 /nfs/dbraw/zinc/84/09/46/562840946.db2.gz ZRRGPWOAPPVWHX-UHFFFAOYSA-N -1 0 554.861 7.192 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000148438596 562841314 /nfs/dbraw/zinc/84/13/14/562841314.db2.gz KTGHOEGOAJYPRD-UHFFFAOYSA-N -1 0 570.379 6.457 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)cn1 ZINC000148655074 562841625 /nfs/dbraw/zinc/84/16/25/562841625.db2.gz AALIRDCKWSMXGL-UHFFFAOYSA-N -1 0 588.413 7.558 1 0 KKAFRM C[C@H](Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000149015405 562842100 /nfs/dbraw/zinc/84/21/00/562842100.db2.gz UHJJHOVCFYVIPO-IBGZPJMESA-N -1 0 517.000 7.191 1 0 KKAFRM CC(C)Cc1ccc(CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000150523708 562843650 /nfs/dbraw/zinc/84/36/50/562843650.db2.gz FDBOFZCBJGLYML-UHFFFAOYSA-N -1 0 662.808 7.380 1 0 KKAFRM CCC[C@@H](O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OP(=O)([O-])[O-] ZINC000150552207 562844611 /nfs/dbraw/zinc/84/46/11/562844611.db2.gz WMRZUAHKVJXYAU-IORVCBSESA-N -1 0 873.048 7.165 1 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2ccc4cc2OCO4)[C@H](C(=O)[O-])C3)c1 ZINC000150568746 562845047 /nfs/dbraw/zinc/84/50/47/562845047.db2.gz LWVBHKJWEXZXLT-DRGXBFSJSA-N -1 0 739.300 5.263 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc(Br)c2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597057 562846747 /nfs/dbraw/zinc/84/67/47/562846747.db2.gz SGFOYDAPPYPSDB-UHFFFAOYSA-N -1 0 798.038 5.946 1 0 KKAFRM CCCCCc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1CC(=O)Nc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000150597136 562846771 /nfs/dbraw/zinc/84/67/71/562846771.db2.gz MCUHOHGCPLAMGK-UHFFFAOYSA-N -1 0 699.152 5.326 1 0 KKAFRM COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598417 562846882 /nfs/dbraw/zinc/84/68/82/562846882.db2.gz DZGPNEUZETUOMQ-PRDAIKMNSA-N -1 0 700.833 5.257 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)OC2CCCC2)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599998 562847083 /nfs/dbraw/zinc/84/70/83/562847083.db2.gz JCVFHJSSNRVJJK-BHVANESWSA-N -1 0 815.827 8.074 1 0 KKAFRM C=Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600967 562847209 /nfs/dbraw/zinc/84/72/09/562847209.db2.gz GLOZUFBHEVESCL-UUWRZZSWSA-N -1 0 803.816 7.930 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@H]2CC[C@]3(C)[C@H](CC[C@@](C)(O)[C@H]3CC[C@@H]3C(C)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)OC2(C)C)cc1 ZINC000150605768 562847786 /nfs/dbraw/zinc/84/77/86/562847786.db2.gz MMSZFWSBHSOKPZ-OQIZYYLKSA-N -1 0 673.957 7.453 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@@H](CC3=CCc4ccccc43)C(=O)[O-])CC[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 ZINC000150613866 562848736 /nfs/dbraw/zinc/84/87/36/562848736.db2.gz QLFNUGWFIFJKEF-GMYXDBAHSA-N -1 0 655.964 9.138 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[O-])C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000164759810 562849753 /nfs/dbraw/zinc/84/97/53/562849753.db2.gz DGROTVCEUFXOSG-DTMGCTNBSA-N -1 0 667.228 6.075 1 0 KKAFRM COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)[N-]S(=O)(=O)C4(C)CC4)NC3=O)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000165543355 562850300 /nfs/dbraw/zinc/85/03/00/562850300.db2.gz ZGQONABXQYXCKZ-BQKUFIJQSA-N -1 0 752.960 5.191 1 0 KKAFRM O=C([O-])c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccn2)c1 ZINC000168576529 562851476 /nfs/dbraw/zinc/85/14/76/562851476.db2.gz QLJWNTHEJPFKDE-UHFFFAOYSA-N -1 0 516.863 6.883 1 0 KKAFRM Cc1cc2[nH]c(-c3c(F)c(F)c(-c4ccccc4OCc4ccccc4)c(F)c3F)nc2c(C(=O)[O-])c1 ZINC000168574116 562851494 /nfs/dbraw/zinc/85/14/94/562851494.db2.gz BBTZKEVGRYBKFG-UHFFFAOYSA-N -1 0 506.455 7.039 1 0 KKAFRM O=S(=O)([N-]c1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccncn2)c1Cl)c1c(F)cccc1F ZINC000169131881 562851643 /nfs/dbraw/zinc/85/16/43/562851643.db2.gz VDVHEBQEJCHLCN-UHFFFAOYSA-N -1 0 505.909 5.283 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@]23CC[C@@]4(C(=O)[O-])CC[C@H](C)[C@H](C)[C@@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O ZINC000169301083 562852867 /nfs/dbraw/zinc/85/28/67/562852867.db2.gz BRRFDRKIGYRDOD-DPJBFAIXSA-N -1 0 648.881 8.040 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307591 562853875 /nfs/dbraw/zinc/85/38/75/562853875.db2.gz QDAZICLIUIVSJD-KKSHJYNMSA-N -1 0 610.478 6.012 1 0 KKAFRM CC[C@@H](CN(c1ccc(F)cc1F)S(=O)(=O)C1CC1)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307581 562853882 /nfs/dbraw/zinc/85/38/82/562853882.db2.gz JKRHWWVFXHVICO-JTOAADIHSA-N -1 0 667.558 6.534 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C4CCCCC4)c4cccc5ccccc54)CC3)cc21 ZINC000169308584 562854121 /nfs/dbraw/zinc/85/41/21/562854121.db2.gz YQVXKAXUHXNMIV-HKBQPEDESA-N -1 0 609.706 5.415 1 0 KKAFRM COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308593 562854166 /nfs/dbraw/zinc/85/41/66/562854166.db2.gz JDPZIHQYSDDHJX-SSEXGKCCSA-N -1 0 753.754 5.585 1 0 KKAFRM CC(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308597 562854172 /nfs/dbraw/zinc/85/41/72/562854172.db2.gz CVRGHQDLYQMBEP-YTTGMZPUSA-N -1 0 705.757 6.682 1 0 KKAFRM COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308637 562854186 /nfs/dbraw/zinc/85/41/86/562854186.db2.gz HHAXKOIMODFUSE-DIPNUNPCSA-N -1 0 769.800 7.471 1 0 KKAFRM O=C(Nc1ccc2ccccc2c1)c1cc(I)cc(I)c1[O-] ZINC000169328444 562858372 /nfs/dbraw/zinc/85/83/72/562858372.db2.gz MJQBWIKDVPOWEQ-UHFFFAOYSA-N -1 0 515.088 5.007 1 0 KKAFRM C[C@H](CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169310585 562854870 /nfs/dbraw/zinc/85/48/70/562854870.db2.gz XKKGFXATXJLNRX-REQZEPKWSA-N -1 0 586.560 6.566 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312975 562855524 /nfs/dbraw/zinc/85/55/24/562855524.db2.gz WUASEUOFVJFICE-YUDZBJCPSA-N -1 0 651.778 7.280 1 0 KKAFRM O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)c1cc(I)cc(I)c1[O-] ZINC000169328434 562858384 /nfs/dbraw/zinc/85/83/84/562858384.db2.gz AQMUNMRLSASTHW-UHFFFAOYSA-N -1 0 575.115 5.785 1 0 KKAFRM O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cc(I)cc(I)c1[O-] ZINC000169328443 562858386 /nfs/dbraw/zinc/85/83/86/562858386.db2.gz CUIAKSDUGDBPFF-UHFFFAOYSA-N -1 0 591.570 6.299 1 0 KKAFRM O=C([O-])COc1cc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)ccc1CCC(=O)OCc1ccccc1 ZINC000169329529 562858543 /nfs/dbraw/zinc/85/85/43/562858543.db2.gz ZTDIJFRWZIOLSN-UHFFFAOYSA-N -1 0 649.622 6.670 1 0 KKAFRM C[S@](=O)CCCN1CC=C(CC[C@H]2/C(=C/OS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)C1=O ZINC000169331039 562858876 /nfs/dbraw/zinc/85/88/76/562858876.db2.gz KXYYYKVSWCQXRS-RYHWFOFISA-N -1 0 569.830 5.666 1 0 KKAFRM COc1ccc([C@H]2[C@H]3c4c(=O)[nH]c5ccccc5c4OC(C)(C)[C@H]3[C@@H]2C(C)C)cc1OC(=O)CCC(=O)[O-] ZINC000169334508 562859527 /nfs/dbraw/zinc/85/95/27/562859527.db2.gz WGYZJGMRFVMTHL-QUUPDEESSA-N -1 0 519.594 5.247 1 0 KKAFRM Nc1c(F)c(N2CCN(CCOc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c3)CC2)cc2c1c(=O)c(C(=O)[O-])cn2-c1ccc(F)cc1 ZINC000169337479 562860112 /nfs/dbraw/zinc/86/01/12/562860112.db2.gz MJQCZBLMXFTPDC-UHFFFAOYSA-N -1 0 680.664 5.229 1 0 KKAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343861 562861267 /nfs/dbraw/zinc/86/12/67/562861267.db2.gz AIRBVWFEAYREHQ-UHFFFAOYSA-N -1 0 618.800 5.248 1 0 KKAFRM CC[C@H](C)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000169345089 562861485 /nfs/dbraw/zinc/86/14/85/562861485.db2.gz HUDNYOPDDZZSAR-RKTBNNLKSA-N -1 0 569.871 7.765 1 0 KKAFRM O=C([O-])c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(COc7ccccc7)cc6)c5c4)cc32)c1 ZINC000169348524 562862284 /nfs/dbraw/zinc/86/22/84/562862284.db2.gz DMPBWXPRHSGLEN-UHFFFAOYSA-N -1 0 562.669 8.637 1 0 KKAFRM COC(=O)c1cccc(Cc2c[nH]c3ccc(-c4ccc5[nH]cc(Cc6cccc(C(=O)[O-])c6)c5c4)cc23)c1 ZINC000169348536 562862352 /nfs/dbraw/zinc/86/23/52/562862352.db2.gz OOPGSQUOYHYIOK-UHFFFAOYSA-N -1 0 514.581 6.983 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nc7ccccc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000169351962 562863017 /nfs/dbraw/zinc/86/30/17/562863017.db2.gz ZTMZIJJXLJWRJI-IKDCOZHDSA-N -1 0 540.792 8.386 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nc7cc(Cl)c(Cl)cc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000169351953 562863026 /nfs/dbraw/zinc/86/30/26/562863026.db2.gz SWKAOZUVHHMXEY-HOZKIMCPSA-N -1 0 609.682 9.693 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1-c1cncc2ccccc21)C(=O)[O-] ZINC000169352676 562863168 /nfs/dbraw/zinc/86/31/68/562863168.db2.gz IBOMBSQQQSKKGN-RLWLMLJZSA-N -1 0 544.629 5.057 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(-c7ccccc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000169353465 562863529 /nfs/dbraw/zinc/86/35/29/562863529.db2.gz MBYAFPKKKLCLSY-UFAINODJSA-N -1 0 554.819 8.628 1 0 KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc([O-])c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000169368603 562864625 /nfs/dbraw/zinc/86/46/25/562864625.db2.gz MRMMGDLQIQYRDA-NGJQUMOZSA-N -1 0 590.798 5.610 1 0 KKAFRM Cc1cc(O[C@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C2CC(C)(C)C2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000169694318 562865264 /nfs/dbraw/zinc/86/52/64/562865264.db2.gz FAWURTSYOBLHRC-AREMUKBSSA-N -1 0 543.586 6.269 1 0 KKAFRM CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCc1nnn[n-]1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696910 562866347 /nfs/dbraw/zinc/86/63/47/562866347.db2.gz ODRDXISBDWRQIB-XMMPIXPASA-N -1 0 511.611 5.278 1 0 KKAFRM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cnccc3Cl)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000169697076 562866368 /nfs/dbraw/zinc/86/63/68/562866368.db2.gz BDFDCJSRXHAJMN-UHFFFAOYSA-N -1 0 572.050 5.692 1 0 KKAFRM Cc1cc(Nc2cc(C(C)C)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704416 562868964 /nfs/dbraw/zinc/86/89/64/562868964.db2.gz KKTVBURDGTYPDU-MUUNZHRXSA-N -1 0 500.624 6.046 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(Cl)cc3)C=C(c3ccccc3)N=4)o2)c1 ZINC000197749124 562872594 /nfs/dbraw/zinc/87/25/94/562872594.db2.gz QHFCBXCITJVEBH-SDEVNZIBSA-N -1 0 539.012 5.614 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3F)cc12 ZINC000199475983 562872998 /nfs/dbraw/zinc/87/29/98/562872998.db2.gz WMZOCGXPHWSBBY-FQEVSTJZSA-N -1 0 588.601 8.321 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3F)cc12 ZINC000199476045 562873010 /nfs/dbraw/zinc/87/30/10/562873010.db2.gz UDDVMLZGMLHVES-FQEVSTJZSA-N -1 0 588.601 8.321 1 0 KKAFRM Cc1cc(-c2ccc(Cl)cc2)cn2cc(C(=O)N[C@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)[O-])nc12 ZINC000202317237 562873666 /nfs/dbraw/zinc/87/36/66/562873666.db2.gz PTCKWBHTDIXPNJ-HHHXNRCGSA-N -1 0 540.019 5.968 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cccc(OCc3ccc(Cl)cc3)c2n1 ZINC000202313855 562873668 /nfs/dbraw/zinc/87/36/68/562873668.db2.gz UXIGRFNDZSFJRK-AREMUKBSSA-N -1 0 556.018 5.571 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C1=Cc2ccc(-c3ccc(Cl)cc3)cc2SC1 ZINC000202314572 562873670 /nfs/dbraw/zinc/87/36/70/562873670.db2.gz RKVRVXSDGCEHBF-LJAQVGFWSA-N -1 0 556.083 6.887 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1 ZINC000202314875 562873677 /nfs/dbraw/zinc/87/36/77/562873677.db2.gz FGLNGYXVMVAPIH-HHHXNRCGSA-N -1 0 525.988 6.758 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]1 ZINC000202325213 562873752 /nfs/dbraw/zinc/87/37/52/562873752.db2.gz WFBASJZKBLZYTF-GDLZYMKVSA-N -1 0 525.004 6.493 1 0 KKAFRM CO[C@](C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000203668141 562874047 /nfs/dbraw/zinc/87/40/47/562874047.db2.gz PEWGGUSEAWMCQM-HHHXNRCGSA-N -1 0 558.578 6.061 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(c2ncc3ccccc3c2C2CC2)[C@@H]2CCc3cc(OC(F)(F)F)ccc32)cc1 ZINC000203766929 562874105 /nfs/dbraw/zinc/87/41/05/562874105.db2.gz RLONLJJPXIVWOF-RUZDIDTESA-N -1 0 568.573 6.592 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(Cn2ccnc2)cc1)C1CC1 ZINC000203987051 562874226 /nfs/dbraw/zinc/87/42/26/562874226.db2.gz DBGBVEVESPJHBC-UHFFFAOYSA-N -1 0 512.972 6.981 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[C@@H](O)C2)nc1)C1CC1 ZINC000203988469 562874260 /nfs/dbraw/zinc/87/42/60/562874260.db2.gz WRZHKYFKFZLMKD-LJQANCHMSA-N -1 0 518.976 5.702 1 0 KKAFRM Cc1c2ccccc2cnc1N(CC1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204321023 562874397 /nfs/dbraw/zinc/87/43/97/562874397.db2.gz WEAGOTAIBHAUBL-UHFFFAOYSA-N -1 0 515.635 5.353 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(c1)CC(C)(C)O2)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204320912 562874423 /nfs/dbraw/zinc/87/44/23/562874423.db2.gz BSJKBRKHQDTKGS-UHFFFAOYSA-N -1 0 502.592 5.350 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(-c2cccc(F)c2)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204358888 562874424 /nfs/dbraw/zinc/87/44/24/562874424.db2.gz GPTIJXHSMJEHAB-UHFFFAOYSA-N -1 0 526.589 6.443 1 0 KKAFRM C[C@H](NC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])cc1)c1ccccc1 ZINC000204946162 562874607 /nfs/dbraw/zinc/87/46/07/562874607.db2.gz NJVJKWJPINHWAL-SFHVURJKSA-N -1 0 573.501 8.640 1 0 KKAFRM C[C@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)c1csc2ccccc21 ZINC000205002566 562874684 /nfs/dbraw/zinc/87/46/84/562874684.db2.gz VBVKYPBOJUVVQY-RUZDIDTESA-N -1 0 518.557 5.418 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2ccccc2F)cc1 ZINC000205053499 562874901 /nfs/dbraw/zinc/87/49/01/562874901.db2.gz QRBYAIFWDJNTFP-UHFFFAOYSA-N -1 0 577.464 8.218 1 0 KKAFRM Nc1n[nH]c2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncns4)cc3F)cc12 ZINC000205484720 562875455 /nfs/dbraw/zinc/87/54/55/562875455.db2.gz PMJIZLCFLFWKRY-UHFFFAOYSA-N -1 0 534.957 5.188 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000205739972 562875857 /nfs/dbraw/zinc/87/58/57/562875857.db2.gz YOUAJOUHLVZTDM-UHFFFAOYSA-N -1 0 534.939 6.827 1 0 KKAFRM COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c(OC)c1 ZINC000205971977 562876000 /nfs/dbraw/zinc/87/60/00/562876000.db2.gz RHRKQLBHWQDVDZ-UHFFFAOYSA-N -1 0 548.639 6.619 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cn3)cc12 ZINC000205982632 562876069 /nfs/dbraw/zinc/87/60/69/562876069.db2.gz UYRROCNOXLJOQD-QFIPXVFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc4ccccc43)cc12 ZINC000205980580 562876079 /nfs/dbraw/zinc/87/60/79/562876079.db2.gz BLSMCSSZWCLBLB-UHFFFAOYSA-N -1 0 538.647 7.755 1 0 KKAFRM Cc1c(C)n(Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205990163 562876100 /nfs/dbraw/zinc/87/61/00/562876100.db2.gz YQABQIQJIOZHPN-QFIPXVFZSA-N -1 0 526.677 7.163 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12 ZINC000206003412 562876134 /nfs/dbraw/zinc/87/61/34/562876134.db2.gz VZZHOSJIJJVZJT-ICSRJNTNSA-N -1 0 505.014 6.303 1 0 KKAFRM Cc1c(C)n([C@@H](C)c2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206010839 562876144 /nfs/dbraw/zinc/87/61/44/562876144.db2.gz MLFXYZDRAAETQC-XWGVYQGASA-N -1 0 540.704 7.508 1 0 KKAFRM Cn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000206165157 562876419 /nfs/dbraw/zinc/87/64/19/562876419.db2.gz FCVTWPWBHITERP-UHFFFAOYSA-N -1 0 509.513 5.517 1 0 KKAFRM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000211317218 562877078 /nfs/dbraw/zinc/87/70/78/562877078.db2.gz MDLXEXFPXUNDQS-RGRQWMLTSA-N -1 0 669.800 5.343 1 0 KKAFRM CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000213420611 562877226 /nfs/dbraw/zinc/87/72/26/562877226.db2.gz IHPHOLWJEHZAOF-SVEHJYQDSA-N -1 0 528.693 5.711 1 0 KKAFRM COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)c(F)c3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)[O-] ZINC000217119114 562877533 /nfs/dbraw/zinc/87/75/33/562877533.db2.gz QGOICCMBEDDFCI-NXQGQTBASA-N -1 0 747.713 7.924 1 0 in-vitro KKAFRM Cc1ccc(COc2ccc3nc([C@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000218084884 562877802 /nfs/dbraw/zinc/87/78/02/562877802.db2.gz FFZTZQDRYOEIPO-DNQXCXABSA-N -1 0 520.427 5.954 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1F)C(=O)[O-] ZINC000218175899 562877857 /nfs/dbraw/zinc/87/78/57/562877857.db2.gz NMQAWMUUDFPUJH-UHFFFAOYSA-N -1 0 559.560 6.838 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1 ZINC000218220435 562877884 /nfs/dbraw/zinc/87/78/84/562877884.db2.gz HFHYJUFFDJGTLK-XZWHSSHBSA-N -1 0 599.653 8.411 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(Br)cc1F)C(=O)[O-] ZINC000218279651 562877888 /nfs/dbraw/zinc/87/78/88/562877888.db2.gz HADVCNFXPPIZCE-UHFFFAOYSA-N -1 0 543.437 5.732 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000218634729 562877927 /nfs/dbraw/zinc/87/79/27/562877927.db2.gz IHUMWHKQAVMWCV-HXZUPTHJSA-N -1 0 598.564 6.663 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2ncsc2c1)C(=O)[O-] ZINC000219448053 562878198 /nfs/dbraw/zinc/87/81/98/562878198.db2.gz ZUIGHPKZJMGJTF-UHFFFAOYSA-N -1 0 522.630 6.475 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2ncccc2c1)C(=O)[O-] ZINC000219431257 562878213 /nfs/dbraw/zinc/87/82/13/562878213.db2.gz HZTJDTQLUDMCCY-UHFFFAOYSA-N -1 0 516.601 6.413 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000219464014 562878251 /nfs/dbraw/zinc/87/82/51/562878251.db2.gz GVMIHLMWUDWJCV-UHFFFAOYSA-N -1 0 534.443 7.172 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)cc12 ZINC000220438648 562878492 /nfs/dbraw/zinc/87/84/92/562878492.db2.gz VLRMPBZRUVLWBH-HXUWFJFHSA-N -1 0 638.608 9.200 1 0 KKAFRM CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1OCCC[C@@H]1O[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000220959217 562878700 /nfs/dbraw/zinc/87/87/00/562878700.db2.gz VWKCFDZBVNFTLU-AUMIFUJISA-N -1 0 563.669 5.660 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000221065652 562878722 /nfs/dbraw/zinc/87/87/22/562878722.db2.gz FMHDFTTWGHYCSC-UHFFFAOYSA-N -1 0 639.324 5.330 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000221567358 562879042 /nfs/dbraw/zinc/87/90/42/562879042.db2.gz RPNGLHUBZFJLRE-DNQXCXABSA-N -1 0 534.454 6.488 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@@H]2CN(CC(F)F)CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000221730412 562879182 /nfs/dbraw/zinc/87/91/82/562879182.db2.gz HDTAHBLPSGGZDY-HOCLYGCPSA-N -1 0 565.014 5.020 1 0 KKAFRM COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1OCc1nnn[n-]1)C2=O ZINC000224075548 562880295 /nfs/dbraw/zinc/88/02/95/562880295.db2.gz LXVKCNFEVHJFNO-MUUNZHRXSA-N -1 0 590.471 6.153 1 0 KKAFRM COc1cc(-c2cccc(F)c2F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225117871 562880717 /nfs/dbraw/zinc/88/07/17/562880717.db2.gz FOZNIJHLUARYKI-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM COc1cc(-c2ccc(Cl)c(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225115204 562880745 /nfs/dbraw/zinc/88/07/45/562880745.db2.gz FUKISIJIYRLZHQ-UHFFFAOYSA-N -1 0 520.973 5.961 1 0 KKAFRM Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 ZINC000226016948 562880831 /nfs/dbraw/zinc/88/08/31/562880831.db2.gz DFFLXQIRNUPBJI-MOPGFXCFSA-N -1 0 588.424 6.905 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1 ZINC000226024262 562880837 /nfs/dbraw/zinc/88/08/37/562880837.db2.gz AWSVEDOABJDDAZ-PKTZIBPZSA-N -1 0 557.544 6.763 1 0 KKAFRM Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000226017477 562880860 /nfs/dbraw/zinc/88/08/60/562880860.db2.gz JUBVLHWPGOVPHN-UXHICEINSA-N -1 0 557.876 6.171 1 0 KKAFRM Cc1cc(Cn2c3cc(OCc4ccn(C)n4)ccc3nc2[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1OC(F)(F)F ZINC000226037122 562880869 /nfs/dbraw/zinc/88/08/69/562880869.db2.gz VAZHYDSOVQYZNF-YADHBBJMSA-N -1 0 542.558 5.963 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ncccn2)cc1 ZINC000226093584 562880923 /nfs/dbraw/zinc/88/09/23/562880923.db2.gz MMKZKCWPBYLQQT-VMPREFPWSA-N -1 0 569.665 7.027 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1C(F)(F)F ZINC000226100904 562880924 /nfs/dbraw/zinc/88/09/24/562880924.db2.gz LUSDAXCFJDKENF-RPBOFIJWSA-N -1 0 559.588 7.589 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1)C(=O)[O-] ZINC000226109274 562881003 /nfs/dbraw/zinc/88/10/03/562881003.db2.gz UFSRHEVCEVFJIM-UHFFFAOYSA-N -1 0 634.758 6.904 1 0 KKAFRM Cn1ncc2cc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)ccc21 ZINC000226120594 562881033 /nfs/dbraw/zinc/88/10/33/562881033.db2.gz HQQKDVMQHIOJFZ-UHFFFAOYSA-N -1 0 519.605 5.752 1 0 KKAFRM CCC[C@H](C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(C(=O)N(CCC)CCC)c1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253633239 562882046 /nfs/dbraw/zinc/88/20/46/562882046.db2.gz GRBJMPYEGQIZCN-JNKOLXFZSA-N -1 0 671.826 5.743 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000253684951 562882859 /nfs/dbraw/zinc/88/28/59/562882859.db2.gz HHNUIOMHIJPCQH-KFUOBGOESA-N -1 0 500.764 7.740 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5[C@H](C(C)C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000253684945 562882861 /nfs/dbraw/zinc/88/28/61/562882861.db2.gz HHNUIOMHIJPCQH-GJMLBOISSA-N -1 0 500.764 7.740 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CCCC(C)(C)C2)cc1 ZINC000299823813 562883037 /nfs/dbraw/zinc/88/30/37/562883037.db2.gz APPIJDBGUOOXLM-MUUNZHRXSA-N -1 0 542.720 6.518 1 0 KKAFRM COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3cccs3)cc2)cc1 ZINC000299824720 562883361 /nfs/dbraw/zinc/88/33/61/562883361.db2.gz LRWQEJAQCYTBLN-JOCHJYFZSA-N -1 0 538.676 5.684 1 0 KKAFRM CCOc1cc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Cl)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299826374 562883855 /nfs/dbraw/zinc/88/38/55/562883855.db2.gz ZODHOWYHMJOSMM-NTCAYCPXSA-N -1 0 630.145 6.590 1 0 KKAFRM CCCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299827156 562884063 /nfs/dbraw/zinc/88/40/63/562884063.db2.gz YIIVNLGOCABZSY-ANQPXAPPSA-N -1 0 824.965 5.686 1 0 KKAFRM COCCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299827365 562884159 /nfs/dbraw/zinc/88/41/59/562884159.db2.gz GHGLSKSKIAOTFO-DTQAZKPQSA-N -1 0 636.749 6.312 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)NC(C)(C)C)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299829141 562884743 /nfs/dbraw/zinc/88/47/43/562884743.db2.gz KONKKPPEUAHNDJ-VJYAQTOPSA-N -1 0 810.938 5.342 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NC2CCCC2)C2CC2)C1=O ZINC000299829821 562885001 /nfs/dbraw/zinc/88/50/01/562885001.db2.gz SHLXQEROOPILEH-QXMDYEBFSA-N -1 0 607.600 6.172 1 0 KKAFRM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000299831405 562885601 /nfs/dbraw/zinc/88/56/01/562885601.db2.gz BRNKHWSYACFKQC-JXFKEZNVSA-N -1 0 555.638 6.261 1 0 KKAFRM O=S(=O)([N-]c1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1)c1cccc2cccnc21 ZINC000299837929 562887697 /nfs/dbraw/zinc/88/76/97/562887697.db2.gz SUXCZMDOKGMTJN-UHFFFAOYSA-N -1 0 542.624 6.642 1 0 KKAFRM CC1=CC[C@@H]2CCCC[C@H]2[C@H]1N1C(=O)[C@H]2[C@@H](C1=O)[C@]13C=C(C(C)C)[C@H]2C[C@@H]1[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000299845626 562889529 /nfs/dbraw/zinc/88/95/29/562889529.db2.gz FMMMDNUMDFBOKC-YIQXWINKSA-N -1 0 547.780 7.022 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@]23CC[C@@]4(C(=O)[O-])CC[C@H](C)[C@H](C)[C@@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)ccc1O ZINC000299847471 562889927 /nfs/dbraw/zinc/88/99/27/562889927.db2.gz BRRFDRKIGYRDOD-XBMSHUPDSA-N -1 0 648.881 8.040 1 0 KKAFRM CCOC(=O)c1ccc(NC(=O)CC[C@@H](NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)C(=O)[O-])cc1 ZINC000299847835 562890095 /nfs/dbraw/zinc/89/00/95/562890095.db2.gz GXHGBCQYCGPGDC-KEZFBKCISA-N -1 0 668.872 5.558 1 0 KKAFRM C[C@@H](CCC(=O)N[C@H](CCC(=O)Nc1ccccc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848986 562890394 /nfs/dbraw/zinc/89/03/94/562890394.db2.gz YVZZWDGPBJHUST-HCIDOWPQSA-N -1 0 596.809 5.382 1 0 KKAFRM CCOc1ccc2c(c1)oc(=O)c(-c1ccc(OC(F)(F)F)cc1C)c2Oc1ccc(/C=C/C(=O)[O-])cc1 ZINC000299852312 562890881 /nfs/dbraw/zinc/89/08/81/562890881.db2.gz QEZAERDAPVYJNL-AWNIVKPZSA-N -1 0 526.463 6.956 1 0 KKAFRM Cc1cc(OC(F)(F)F)ccc1-c1c(=O)oc2cc(C(F)F)ccc2c1Oc1ccc(/C=C/C(=O)[O-])cc1 ZINC000299852615 562890931 /nfs/dbraw/zinc/89/09/31/562890931.db2.gz VILFKGGUPKYGLM-NYYWCZLTSA-N -1 0 532.417 7.495 1 0 KKAFRM COc1ccc(-n2c(-c3cccc(O)c3)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000299855444 562891653 /nfs/dbraw/zinc/89/16/53/562891653.db2.gz BBLOJEDPSMFYRZ-UHFFFAOYSA-N -1 0 642.713 5.051 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299856783 562892016 /nfs/dbraw/zinc/89/20/16/562892016.db2.gz CBYLAHCPVWNTPT-ZHACJKMWSA-N -1 0 630.105 5.134 1 0 KKAFRM CC[C@H](C)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S/C=C\C(=O)[O-])n2CC(OC)OC)ccn1 ZINC000299857131 562892088 /nfs/dbraw/zinc/89/20/88/562892088.db2.gz CPLDEGFBMDVVMO-KVNDZABWSA-N -1 0 500.596 5.271 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 ZINC000299857316 562892153 /nfs/dbraw/zinc/89/21/53/562892153.db2.gz MWDJCTOIHXQKCS-KRWDZBQOSA-N -1 0 520.507 5.263 1 0 KKAFRM CCn1cc(S(=O)(=O)c2cc(Cl)ccc2OC)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc21 ZINC000299859043 562892619 /nfs/dbraw/zinc/89/26/19/562892619.db2.gz VMTUKCFGNXNXEC-UHFFFAOYSA-N -1 0 512.971 5.107 1 0 KKAFRM CC(C)Cc1ccc([C@@H](C)C(=O)O[C@@H](COC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)[C@H]2OC(=O)C(O)=C2[O-])cc1 ZINC000299859771 562892813 /nfs/dbraw/zinc/89/28/13/562892813.db2.gz YLRTWOVRXHIUHH-BBACSAFPSA-N -1 0 552.664 5.699 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(F)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299861931 562893453 /nfs/dbraw/zinc/89/34/53/562893453.db2.gz METGRDZUYSTNPE-BUHFOSPRSA-N -1 0 600.651 5.081 1 0 KKAFRM O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000299862495 562893624 /nfs/dbraw/zinc/89/36/24/562893624.db2.gz NDMCSCQDJXSMTM-HAHDFKILSA-N -1 0 589.054 5.538 1 0 KKAFRM CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4[C@@H](O)[C@H](OC(C)=O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-] ZINC000299863106 562893773 /nfs/dbraw/zinc/89/37/73/562893773.db2.gz KQKOYHKQSDNIFC-OPYBGVSPSA-N -1 0 572.739 5.416 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(F)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299864135 562894043 /nfs/dbraw/zinc/89/40/43/562894043.db2.gz MALRRDAMYFKKLE-CCEZHUSRSA-N -1 0 614.678 5.471 1 0 KKAFRM Cc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccc(Cl)cc3)cc2)no1 ZINC000299867163 562894807 /nfs/dbraw/zinc/89/48/07/562894807.db2.gz XNHKURPCVAGRLA-IWIPYMOSSA-N -1 0 587.013 5.378 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299867994 562894989 /nfs/dbraw/zinc/89/49/89/562894989.db2.gz ZCNGFVYKWOGJPL-XSFVSMFZSA-N -1 0 553.404 8.828 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299868158 562895046 /nfs/dbraw/zinc/89/50/46/562895046.db2.gz RAKPATCVSQCVGH-DTQAZKPQSA-N -1 0 593.684 5.691 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299868839 562895214 /nfs/dbraw/zinc/89/52/14/562895214.db2.gz SLQOBZSCOSJFAT-VAWYXSNFSA-N -1 0 644.132 5.524 1 0 KKAFRM CC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473081237 562896615 /nfs/dbraw/zinc/89/66/15/562896615.db2.gz AUDJMQXVSKGPJI-VUCLLSDDSA-N -1 0 756.594 5.839 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4Cl)c3)cc12 ZINC000473082165 562896674 /nfs/dbraw/zinc/89/66/74/562896674.db2.gz GIJMJWDPCRCSAF-UHFFFAOYSA-N -1 0 590.503 8.050 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCOc3cccc(OCc4ccc(C(F)(F)F)cc4)c3)cc12 ZINC000473082364 562896679 /nfs/dbraw/zinc/89/66/79/562896679.db2.gz HJBWQQHHPJXLHH-UHFFFAOYSA-N -1 0 575.583 7.372 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(Oc4ccc(C(F)(F)F)cc4)c3)cc12 ZINC000473082063 562896699 /nfs/dbraw/zinc/89/66/99/562896699.db2.gz FZNWPPBJDQIVGP-UHFFFAOYSA-N -1 0 575.583 7.976 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21 ZINC000473083299 562896811 /nfs/dbraw/zinc/89/68/11/562896811.db2.gz BLNBGANNOYYDSA-MUUNZHRXSA-N -1 0 649.735 8.752 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21 ZINC000473084154 562896859 /nfs/dbraw/zinc/89/68/59/562896859.db2.gz FPCBHNAMQSEQNL-SSEXGKCCSA-N -1 0 629.679 8.382 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473086207 562897066 /nfs/dbraw/zinc/89/70/66/562897066.db2.gz HDTVBAKFJLEVQU-SSEXGKCCSA-N -1 0 629.679 8.300 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21 ZINC000473086394 562897071 /nfs/dbraw/zinc/89/70/71/562897071.db2.gz HQJYRQVEIABKOS-PMERELPUSA-N -1 0 677.695 8.530 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473086888 562897104 /nfs/dbraw/zinc/89/71/04/562897104.db2.gz IKLSAARRVPLBPO-GOSISDBHSA-N -1 0 626.006 7.875 1 0 KKAFRM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 ZINC000473088010 562897279 /nfs/dbraw/zinc/89/72/79/562897279.db2.gz HHJXTKVAIKQFLW-UHFFFAOYSA-N -1 0 511.619 5.870 1 0 KKAFRM Cc1cc(-n2cc3c(n2)CCCC3)ccc1[C@H](CCC(F)(F)F)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000473101439 562898094 /nfs/dbraw/zinc/89/80/94/562898094.db2.gz JNFRSIVSORDPKM-GJZUVCINSA-N -1 0 569.628 5.887 1 0 KKAFRM CCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473104190 562898139 /nfs/dbraw/zinc/89/81/39/562898139.db2.gz OQNRWQFLTSBPFQ-JXWCSOEASA-N -1 0 852.645 7.720 1 0 KKAFRM CC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473104906 562898171 /nfs/dbraw/zinc/89/81/71/562898171.db2.gz PSCFSKRXTKLEKL-YYPSCMPSSA-N -1 0 810.564 6.550 1 0 KKAFRM COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(=O)CCC(=O)[O-])[C@@H]5OC(C)(C)OC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000473113912 562898881 /nfs/dbraw/zinc/89/88/81/562898881.db2.gz KSQZLRJVFHNKIJ-VWYCPFOVSA-N -1 0 642.874 7.335 1 0 KKAFRM COc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccccc3C)cc2)cc1 ZINC000473119883 562899305 /nfs/dbraw/zinc/89/93/05/562899305.db2.gz NFJJWUJVRUZQDJ-PMERELPUSA-N -1 0 608.676 5.976 1 0 KKAFRM Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(C)CCc4c(c5ccc(C)cc5n4CCC(=O)[O-])C3)c(Cl)c2)n1 ZINC000473145715 562901336 /nfs/dbraw/zinc/90/13/36/562901336.db2.gz ZHEVHMGOEMGZIZ-HHHXNRCGSA-N -1 0 540.451 5.298 1 0 KKAFRM O=C1[N-]C(=O)N(Cc2ccc(Cl)cc2Cl)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000473149159 562901494 /nfs/dbraw/zinc/90/14/94/562901494.db2.gz IHMJVRTYQJGSCW-LSFURLLWSA-N -1 0 522.215 6.972 1 0 KKAFRM O=C(c1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)c2)s1)c1c(F)ccc(O)c1F ZINC000473152712 562901885 /nfs/dbraw/zinc/90/18/85/562901885.db2.gz VPUOBTGZCXRQOY-UHFFFAOYSA-N -1 0 555.502 6.329 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ncccn2)cc1OCCO ZINC000473152876 562901892 /nfs/dbraw/zinc/90/18/92/562901892.db2.gz WMTQUGCQXPZLRJ-UHFFFAOYSA-N -1 0 561.538 5.135 1 0 KKAFRM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000473158384 562902545 /nfs/dbraw/zinc/90/25/45/562902545.db2.gz WIAXFFNFTIOWHI-AWEZNQCLSA-N -1 0 518.598 5.671 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)[C@H](C(=O)OC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2C1 ZINC000473247817 562905022 /nfs/dbraw/zinc/90/50/22/562905022.db2.gz IMRMRIVNDCUVSC-WCACNMRISA-N -1 0 504.708 5.047 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1 ZINC000653685002 562906439 /nfs/dbraw/zinc/90/64/39/562906439.db2.gz FCTLEOONFRGMAD-UHFFFAOYSA-N -1 0 606.125 6.200 1 0 KKAFRM CCCCCOc1cc(=O)c2c([O-])c(OCCCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653691276 562906799 /nfs/dbraw/zinc/90/67/99/562906799.db2.gz WCJSOTNEVAXCRM-NDKRRWIDSA-N -1 0 620.695 6.891 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cc4nc5ccccc5n4Cc4ccccc4Cl)CC3)cc21 ZINC000653692013 562906806 /nfs/dbraw/zinc/90/68/06/562906806.db2.gz DKOXZWPOTOMBOX-UHFFFAOYSA-N -1 0 574.056 5.232 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1O ZINC000653701033 562907416 /nfs/dbraw/zinc/90/74/16/562907416.db2.gz GQPSVVAMVNMEAC-JOMNFKBKSA-N -1 0 570.550 5.038 1 0 KKAFRM COc1ccc(Cc2nc(SCc3ccc(C(F)(F)F)cc3)[n-]c(=O)c2I)cc1OC ZINC000653705319 562907731 /nfs/dbraw/zinc/90/77/31/562907731.db2.gz NDPYUSNDZXGUPT-UHFFFAOYSA-N -1 0 562.351 5.706 1 0 KKAFRM Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3n(c21)CCN(Cc1cccc(C(=O)[O-])c1)C3=O ZINC000653708994 562908043 /nfs/dbraw/zinc/90/80/43/562908043.db2.gz FKUJYVRFABPJCM-UHFFFAOYSA-N -1 0 625.169 7.295 1 0 KKAFRM COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(C)C ZINC000653710322 562908138 /nfs/dbraw/zinc/90/81/38/562908138.db2.gz VMFPTASZMSMPND-UGOHAPBYSA-N -1 0 523.478 5.519 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721896 562908781 /nfs/dbraw/zinc/90/87/81/562908781.db2.gz BRLNECUABJLUDK-KNQAVFIVSA-N -1 0 500.732 5.481 1 0 KKAFRM Cc1n[nH]c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3ccccc3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653722823 562908860 /nfs/dbraw/zinc/90/88/60/562908860.db2.gz GQXICACCQKXKRX-UHFFFAOYSA-N -1 0 625.578 7.229 1 0 KKAFRM CC(=O)O[C@@H](C/C=C(\C)C(=O)[O-])[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000653730268 562909417 /nfs/dbraw/zinc/90/94/17/562909417.db2.gz RXLRLJSRXDHQCH-AERNORENSA-N -1 0 554.768 7.432 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NC(C)C)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653751525 562910664 /nfs/dbraw/zinc/91/06/64/562910664.db2.gz IDXPJQIRPCXAEL-UHFFFAOYSA-N -1 0 599.757 6.556 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NC[C@@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653751501 562910691 /nfs/dbraw/zinc/91/06/91/562910691.db2.gz BJQUTRCQUKHTLD-SSEXGKCCSA-N -1 0 547.655 6.174 1 0 KKAFRM CCOc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653751549 562910699 /nfs/dbraw/zinc/91/06/99/562910699.db2.gz PERGYFHQWOPFRA-HSZRJFAPSA-N -1 0 547.655 6.690 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](CC(=O)[O-])Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653755635 562910911 /nfs/dbraw/zinc/91/09/11/562910911.db2.gz DYQSTAGJKVMDAE-LWIYDJPKSA-N -1 0 574.806 7.026 1 0 KKAFRM CCCSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653755644 562910920 /nfs/dbraw/zinc/91/09/20/562910920.db2.gz MVIFFEJULHCEPV-DEOSSOPVSA-N -1 0 577.750 7.794 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)O)c3)cc12 ZINC000653755724 562910954 /nfs/dbraw/zinc/91/09/54/562910954.db2.gz YBGREAIYNRSEAK-QHCPKHFHSA-N -1 0 560.694 7.390 1 0 KKAFRM 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ZINC000085530847 291927766 /nfs/dbraw/zinc/92/77/66/291927766.db2.gz QDQUDESVTQYBMR-WIEBLZMGSA-N -1 0 542.845 8.602 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12CC[C@@]3(C)[C@@H]4CC[C@]5(O)OC[C@@]4(CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12)[C@H]5CCC ZINC000085530831 291927770 /nfs/dbraw/zinc/92/77/70/291927770.db2.gz VNYWOXJKMRAOJS-DLMYZTJFSA-N -1 0 570.899 9.382 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@]23CO[C@@]1(O)CC[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]2(C)[C@H]1CC3 ZINC000085530803 291938711 /nfs/dbraw/zinc/93/87/11/291938711.db2.gz QROUJXDZWZNYPD-BLNPCZEGSA-N -1 0 500.764 7.432 1 0 biogenic,in-vitro KKAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000070455553 291957757 /nfs/dbraw/zinc/95/77/57/291957757.db2.gz YAGYBNOEVSEGSL-CUXJRMRSSA-N -1 0 516.719 5.359 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]45C)[C@@H]2[C@@H](O)C[C@]1(O)O[C@@H]3Cc1ccccc1 ZINC000085530752 291987402 /nfs/dbraw/zinc/98/74/02/291987402.db2.gz LMXONIFHVHCPGG-JTUMTLGKSA-N -1 0 578.834 7.234 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@]1(O)C=CC[C@]4(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@H]4CC2)[C@@H]31 ZINC000085530771 291987419 /nfs/dbraw/zinc/98/74/19/291987419.db2.gz ATNIJUOFBRVBGL-YVIUMXCWSA-N -1 0 512.731 5.933 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@]23CO[C@@]1(O)C[C@H](O)[C@H]2[C@]1(C)CC[C@]24CCC[C@@]1(CC3)[C@@]2(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]14 ZINC000095919493 291987420 /nfs/dbraw/zinc/98/74/20/291987420.db2.gz GBBJMMDLTJWJOK-PIXZHKEMSA-N -1 0 514.747 6.157 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)C12CCCCC2 ZINC000085489201 291993022 /nfs/dbraw/zinc/99/30/22/291993022.db2.gz HQMMQHAQKFPJKX-YKNLIPTASA-N -1 0 554.815 9.894 1 0 biogenic,in-vitro KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000101092872 551090081 /nfs/dbraw/zinc/09/00/81/551090081.db2.gz KNMAVSXEMFMOGI-SYVJQLTCSA-N -1 0 589.655 6.916 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c2ccc3c(c2)CCC3)cc1 ZINC000044306753 551090237 /nfs/dbraw/zinc/09/02/37/551090237.db2.gz YZUIGWQMHIUXNA-UHFFFAOYSA-N -1 0 581.616 6.740 1 0 KKAFRM CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000049881398 551090266 /nfs/dbraw/zinc/09/02/66/551090266.db2.gz XKENBIHIHWFSFY-UHFFFAOYSA-N -1 0 569.771 7.948 1 0 KKAFRM CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001483473 561675803 /nfs/dbraw/zinc/67/58/03/561675803.db2.gz AAEJZGVELWMPGK-UHFFFAOYSA-N -1 0 533.419 6.268 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2ccccc2)c1C ZINC000001485144 561675939 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/nfs/dbraw/zinc/68/02/71/561680271.db2.gz DKCBOEVMYBPSHB-RUZDIDTESA-N -1 0 585.642 5.377 1 0 KKAFRM CCO[C@@H](Cc1ccc(OCC=C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000001553970 561677684 /nfs/dbraw/zinc/67/76/84/561677684.db2.gz DYEWWEJMOUDCMM-QNGWXLTQSA-N -1 0 554.686 8.564 1 0 KKAFRM COc1c(CC=C(C)C)c(O)c([C@@H](CC(C)C)c2c3c(c(O)c(C(C)=O)c2O)C[C@H](C(C)(C)O)O3)c([O-])c1C(C)=O ZINC000001660717 561679076 /nfs/dbraw/zinc/67/90/76/561679076.db2.gz OUNVYFMBWBYCMV-TZIWHRDSSA-N -1 0 570.679 5.684 1 0 KKAFRM Cc1c(Oc2cccc(O[C@@H](C)C(=O)[O-])c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc21 ZINC000003942574 561689556 /nfs/dbraw/zinc/68/95/56/561689556.db2.gz VGORCQXXKHIAFG-AWEZNQCLSA-N -1 0 546.885 7.276 1 0 KKAFRM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000003815651 561682959 /nfs/dbraw/zinc/68/29/59/561682959.db2.gz VEXRXPAIHVICKW-CHJDUVSTSA-N -1 0 559.684 6.433 1 0 KKAFRM O=C([O-])CCCC/C=C(/c1cccnc1)c1cccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 ZINC000003827906 561683429 /nfs/dbraw/zinc/68/34/29/561683429.db2.gz LMSWDFLNAYPJJD-OGLMXYFKSA-N -1 0 529.681 7.294 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Cc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000003834057 561683627 /nfs/dbraw/zinc/68/36/27/561683627.db2.gz QFSFHFQYHBZAAV-SANMLTNESA-N -1 0 534.612 6.060 1 0 KKAFRM CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)NCCCCCCCC(=O)[N-]S2(=O)=O ZINC000003842219 561683800 /nfs/dbraw/zinc/68/38/00/561683800.db2.gz KOVCBJQIMLYCBF-UHFFFAOYSA-N -1 0 614.812 7.428 1 0 in-vivo KKAFRM CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)[N-]C(=O)CCCCCCCN3C(=O)OCc1ccccc1 ZINC000003843020 561684062 /nfs/dbraw/zinc/68/40/62/561684062.db2.gz DBXDZBCKNLXMMD-UHFFFAOYSA-N -1 0 706.865 8.207 1 0 in-vivo KKAFRM CC(=O)c1ccccc1CC[C@H](SC[C@@H](C)C(=O)[O-])c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 ZINC000003915361 561684655 /nfs/dbraw/zinc/68/46/55/561684655.db2.gz FVOPYCZWKWGZIS-GFVJYQRDSA-N -1 0 544.116 8.389 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)NCC(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000003915709 561684742 /nfs/dbraw/zinc/68/47/42/561684742.db2.gz IRHJZJFJLQEGAZ-UHFFFAOYSA-N -1 0 612.872 5.098 1 0 KKAFRM CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 ZINC000003915752 561684801 /nfs/dbraw/zinc/68/48/01/561684801.db2.gz QAYDNEIOSCTECQ-QCNZEISBSA-N -1 0 653.864 7.275 1 0 KKAFRM O=C([O-])c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1CO2 ZINC000003923152 561686176 /nfs/dbraw/zinc/68/61/76/561686176.db2.gz JULVHFOZDXGLQL-JOCHJYFZSA-N -1 0 523.554 5.097 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3nc4cc(C(F)(F)F)ccc4s3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000003930202 561687233 /nfs/dbraw/zinc/68/72/33/561687233.db2.gz REWLPRHOQIGWLH-UHFFFAOYSA-N -1 0 661.211 10.094 1 0 KKAFRM Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)[O-] ZINC000003931366 561687531 /nfs/dbraw/zinc/68/75/31/561687531.db2.gz MLJPZDPDIBXWNY-IPFNFLTNSA-N -1 0 742.918 5.786 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COc2ccccc2CC(=O)[O-])c3S1 ZINC000003945593 561689899 /nfs/dbraw/zinc/68/98/99/561689899.db2.gz BTGZEPQNRMERCP-RUZDIDTESA-N -1 0 661.223 9.227 1 0 KKAFRM COc1cc(C(=O)c2cccc(C)c2)c(Oc2c(Br)cc(CC(=O)[O-])cc2Br)cc1C(C)C ZINC000002009423 561680515 /nfs/dbraw/zinc/68/05/15/561680515.db2.gz TZASJPUDKFUECT-UHFFFAOYSA-N -1 0 576.281 7.302 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c5ccccc5oc4Cc4ccccc4)cc3)cc2)cc1O ZINC000002008079 561680542 /nfs/dbraw/zinc/68/05/42/561680542.db2.gz BISCPLGZMDTIGG-UHFFFAOYSA-N -1 0 576.626 7.529 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000003964600 561691407 /nfs/dbraw/zinc/69/14/07/561691407.db2.gz UXBUYQULNOSYKV-PMERELPUSA-N -1 0 578.731 5.804 1 0 KKAFRM CN(C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@@](=O)([O-])O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000003986099 561692769 /nfs/dbraw/zinc/69/27/69/561692769.db2.gz XUJQPDQURBZEGJ-LHEWISCISA-N -1 0 670.702 7.625 1 0 in-vitro KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175665 561694106 /nfs/dbraw/zinc/69/41/06/561694106.db2.gz BBMULGJBVDDDNI-KUMGUCALSA-N -1 0 590.798 5.842 1 0 in-vitro KKAFRM CC/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000004778136 561695301 /nfs/dbraw/zinc/69/53/01/561695301.db2.gz WLQPPALUSRVBEY-WCWDXBQESA-N -1 0 594.658 8.233 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005957661 561700726 /nfs/dbraw/zinc/70/07/26/561700726.db2.gz KQAYCLXEQVMWMJ-IHLOFXLRSA-N -1 0 633.742 5.368 1 0 KKAFRM CC(C)C/C=C/C1=NN(c2cccc(S(=O)(=O)[O-])c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009738 561701696 /nfs/dbraw/zinc/70/16/96/561701696.db2.gz GPGNZNHYQCLSRN-GGXQVSFTSA-N -1 0 528.681 5.145 1 0 KKAFRM COc1nc2c(cccc2SCCCc2cc3c(cc2O)C[C@H](CCc2ccccc2)O3)cc1C(=O)[O-] ZINC000013453347 561713494 /nfs/dbraw/zinc/71/34/94/561713494.db2.gz YXMJGXWIWGTRJM-QHCPKHFHSA-N -1 0 515.631 6.308 1 0 KKAFRM O=C([O-])C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 ZINC000006718421 561703054 /nfs/dbraw/zinc/70/30/54/561703054.db2.gz ICWNTBUEKRQPME-GMAHTHKFSA-N -1 0 543.039 5.393 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2-c2ccccc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008022133 561704219 /nfs/dbraw/zinc/70/42/19/561704219.db2.gz PPRZLDGUFXDLBE-LJAQVGFWSA-N -1 0 512.606 6.082 3 0 KKAFRM CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)([O-])c2ccccc2)cc1)c1ccc(C)cc1 ZINC000008568224 561705723 /nfs/dbraw/zinc/70/57/23/561705723.db2.gz WWOFDDZPIFEGOE-DGPALRBDSA-N -1 0 562.647 6.695 1 0 KKAFRM O=C([O-])c1cc2cc(OCc3c(Cl)cccc3Cl)ccc2n1Cc1cc2c(cc1Cl)OCO2 ZINC000012341125 561710017 /nfs/dbraw/zinc/71/00/17/561710017.db2.gz ICTIKJBSBGIXOY-UHFFFAOYSA-N -1 0 504.753 6.656 1 0 KKAFRM COc1ccc(C[C@@H](SCc2ccccc2)C(=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012358303 561710354 /nfs/dbraw/zinc/71/03/54/561710354.db2.gz GXVCRJLVDFQCOU-HSZRJFAPSA-N -1 0 503.542 5.573 1 0 KKAFRM CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358492 561710578 /nfs/dbraw/zinc/71/05/78/561710578.db2.gz BYFIJPNXLIWWPM-SANMLTNESA-N -1 0 507.608 6.312 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000013443128 561712931 /nfs/dbraw/zinc/71/29/31/561712931.db2.gz DXHVPEAORASDDI-MHZLTWQESA-N -1 0 507.590 5.111 1 0 KKAFRM CC(=O)N(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)[N-]c1onc(C)c1C)C(C)C ZINC000013492863 561716372 /nfs/dbraw/zinc/71/63/72/561716372.db2.gz JXDROKHYBYCLBZ-UHFFFAOYSA-N -1 0 508.600 5.171 1 0 KKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000013493346 561716642 /nfs/dbraw/zinc/71/66/42/561716642.db2.gz ZPPIDMIQFKCAJE-UHFFFAOYSA-N -1 0 515.985 6.002 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2CC2CCCCC2)cc1-c1ccccc1)C(=O)[O-] ZINC000013533176 561717790 /nfs/dbraw/zinc/71/77/90/561717790.db2.gz HFDXBAKHDUJSKS-MHZLTWQESA-N -1 0 520.699 5.679 1 0 KKAFRM COc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)[O-])ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013557986 561719048 /nfs/dbraw/zinc/71/90/48/561719048.db2.gz PITRCAWCVJMYOT-UHFFFAOYSA-N -1 0 517.582 5.301 1 0 KKAFRM CC(C)[C@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761696 561727987 /nfs/dbraw/zinc/72/79/87/561727987.db2.gz MSPKBDSHENZXSJ-XMMPIXPASA-N -1 0 516.059 6.247 1 0 KKAFRM CCCc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761648 561728029 /nfs/dbraw/zinc/72/80/29/561728029.db2.gz CLDRSJNLDPCRJL-MHZLTWQESA-N -1 0 521.679 6.300 1 0 KKAFRM CC(C)C[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761713 561728138 /nfs/dbraw/zinc/72/81/38/561728138.db2.gz YQNOXGAZMZYQEE-DEOSSOPVSA-N -1 0 513.631 6.122 1 0 KKAFRM Cc1c(=O)[n-]c(S(=O)(=O)Cc2ccc(Br)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000013677595 561724327 /nfs/dbraw/zinc/72/43/27/561724327.db2.gz HKGBJORQCOWCPR-UHFFFAOYSA-N -1 0 502.217 5.125 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2coc(C)n2)c1OC ZINC000013740553 561726020 /nfs/dbraw/zinc/72/60/20/561726020.db2.gz KZQNDFFVZLIJCF-HHHXNRCGSA-N -1 0 523.626 6.190 1 0 KKAFRM CCCCCCN(CCCCCC)S(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000013747491 561726978 /nfs/dbraw/zinc/72/69/78/561726978.db2.gz PKGCOALCRPADMQ-UHFFFAOYSA-N -1 0 510.785 7.386 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1NS(=O)(=O)[N-]C(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1 ZINC000013747582 561727085 /nfs/dbraw/zinc/72/70/85/561727085.db2.gz NRLMRTGBMBCGFG-UHFFFAOYSA-N -1 0 528.674 7.713 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)C)cc(C(C)(C)C)cc1C(C)C ZINC000013747562 561727122 /nfs/dbraw/zinc/72/71/22/561727122.db2.gz IQDVLRFKFRLEDN-UHFFFAOYSA-N -1 0 517.732 7.890 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(CCCCC(=O)[O-])cc2c(OCc3ccccc3)cccc12 ZINC000013758703 561727391 /nfs/dbraw/zinc/72/73/91/561727391.db2.gz KTVQVNQBHPYWRW-UHFFFAOYSA-N -1 0 509.646 6.460 1 0 KKAFRM O=C([O-])c1ccc(CCNC(=O)c2ccc3ccc(OCc4ccc(-c5ccccc5)cn4)cc3c2)cc1 ZINC000013804819 561731350 /nfs/dbraw/zinc/73/13/50/561731350.db2.gz WJJGMWGNVMTFKH-UHFFFAOYSA-N -1 0 502.570 6.152 1 0 KKAFRM Cc1nc(C(C)C)sc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013817705 561732220 /nfs/dbraw/zinc/73/22/20/561732220.db2.gz BVWQVEZQIWSUFK-SFHVURJKSA-N -1 0 520.438 5.560 1 0 KKAFRM CC(C)(C)c1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013817684 561732239 /nfs/dbraw/zinc/73/22/39/561732239.db2.gz VIZCXQVKFZXOHM-QFIPXVFZSA-N -1 0 513.421 5.969 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2cccs2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000013832962 561733712 /nfs/dbraw/zinc/73/37/12/561733712.db2.gz RXEJDISDIFCNNP-QGZVFWFLSA-N -1 0 526.123 7.674 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccccn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000013832961 561733748 /nfs/dbraw/zinc/73/37/48/561733748.db2.gz JCOCZQSVHAQHNW-SFHVURJKSA-N -1 0 521.082 7.007 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000013833519 561733816 /nfs/dbraw/zinc/73/38/16/561733816.db2.gz LRFDSVGTKWZFOF-HTXNQAPBSA-N -1 0 520.695 7.025 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccccc1Cl ZINC000013834057 561734080 /nfs/dbraw/zinc/73/40/80/561734080.db2.gz VZHYPVXTOBIVMA-LJAQVGFWSA-N -1 0 534.100 7.422 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OCc3ccccc3)ccc2n1[C@@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000013862796 561734848 /nfs/dbraw/zinc/73/48/48/561734848.db2.gz ABVSLYBOJFBWEA-HKBQPEDESA-N -1 0 524.060 8.031 1 0 KKAFRM CCCCCCN(CCCCCC)C(=O)C=Cc1ccc(-c2[nH]cnc2-c2ccc(C=CC(=O)[O-])cc2)cc1 ZINC000013863073 561735008 /nfs/dbraw/zinc/73/50/08/561735008.db2.gz FTEFEBULCAAQCL-YHARCJFQSA-N -1 0 527.709 7.844 1 0 KKAFRM O=C([O-])CCCCCCCCCCCCCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000013864231 561735263 /nfs/dbraw/zinc/73/52/63/561735263.db2.gz ZAXBXXAMAVSEBX-UHFFFAOYSA-N -1 0 508.655 8.090 1 0 KKAFRM CC(C)c1nc2sc(-c3ccccc3)cc2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013888858 561735509 /nfs/dbraw/zinc/73/55/09/561735509.db2.gz ROJOWNDMBLALOZ-ITWZMISCSA-N -1 0 505.611 6.493 1 0 KKAFRM CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)[O-])CC2 ZINC000013898716 561735645 /nfs/dbraw/zinc/73/56/45/561735645.db2.gz YWYUQSGYKDEAMJ-JOCHJYFZSA-N -1 0 539.669 5.366 1 0 in-vivo KKAFRM [NH3+][C@@H](Cc1ccccc1)[P@@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000014096622 561736581 /nfs/dbraw/zinc/73/65/81/561736581.db2.gz QPOVWWCINWTVIO-MJSOWUPRSA-N -1 0 570.626 5.122 1 0 KKAFRM CCCCOc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000014943421 561741728 /nfs/dbraw/zinc/74/17/28/561741728.db2.gz TYICRGMXQPUREK-NDEPHWFRSA-N -1 0 551.705 6.526 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(=O)[O-])c2)cc1)Cc1ccc(F)cc1F ZINC000014209763 561737853 /nfs/dbraw/zinc/73/78/53/561737853.db2.gz SEVGDNHYESBDRZ-UHFFFAOYSA-N -1 0 600.615 6.246 1 0 KKAFRM CCCCCCc1cc2c([O-])c([C@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)c(CCCCCC)cc4[C@H]3O)c(=O)oc2cc1O ZINC000014943027 561740576 /nfs/dbraw/zinc/74/05/76/561740576.db2.gz FJVQTSLWKQYTDJ-JBIUIVRGSA-N -1 0 614.735 7.556 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccc(Br)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952852 561746472 /nfs/dbraw/zinc/74/64/72/561746472.db2.gz VBHAFECWGPNXGH-UNMCSNQZSA-N -1 0 582.505 5.222 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccc(C(F)(F)F)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952842 561746477 /nfs/dbraw/zinc/74/64/77/561746477.db2.gz ADURNIFDFSICLO-UNMCSNQZSA-N -1 0 571.606 5.478 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccc(C(F)(F)F)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955177 561747283 /nfs/dbraw/zinc/74/72/83/561747283.db2.gz ADURNIFDFSICLO-RBBKRZOGSA-N -1 0 571.606 6.318 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1C(C)C ZINC000014963269 561748972 /nfs/dbraw/zinc/74/89/72/561748972.db2.gz CFTAOGKUPPQDSX-UHFFFAOYSA-N -1 0 539.632 6.357 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3ccc(Cl)cc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963437 561749079 /nfs/dbraw/zinc/74/90/79/561749079.db2.gz LMIIXRYEZMSHOH-QFIPXVFZSA-N -1 0 534.226 6.941 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCCCc3ccccc3)c2)c(Br)c1 ZINC000014969327 561750536 /nfs/dbraw/zinc/75/05/36/561750536.db2.gz IIYKWHVHNIUBER-UHFFFAOYSA-N -1 0 577.269 6.089 1 0 KKAFRM O=C([O-])c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972568 561751586 /nfs/dbraw/zinc/75/15/86/561751586.db2.gz WPUHRYSDQSXTGR-UHFFFAOYSA-N -1 0 526.514 7.462 1 0 KKAFRM C[C@@H](C(=O)[O-])c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972572 561751611 /nfs/dbraw/zinc/75/16/11/561751611.db2.gz SQHRBEDYCPJCNA-HXUWFJFHSA-N -1 0 554.568 7.952 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972580 561751623 /nfs/dbraw/zinc/75/16/23/561751623.db2.gz CHDZBJMLJJYFFA-UHFFFAOYSA-N -1 0 568.595 8.126 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000014976974 561752258 /nfs/dbraw/zinc/75/22/58/561752258.db2.gz GPQQUGDDZSPLMM-UHFFFAOYSA-N -1 0 559.833 7.955 1 0 KKAFRM O=C([O-])c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccccc3)cc2Cl)c1 ZINC000014976986 561752304 /nfs/dbraw/zinc/75/23/04/561752304.db2.gz CNZACFCLDVRZJS-OUKQBFOZSA-N -1 0 576.863 9.416 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000016051338 561753749 /nfs/dbraw/zinc/75/37/49/561753749.db2.gz HQEQUYKKMMKSSX-PMACEKPBSA-N -1 0 581.193 5.560 1 0 in-vitro KKAFRM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000024433235 561762382 /nfs/dbraw/zinc/76/23/82/561762382.db2.gz XCCRAOPQCACRFC-OIFRRMEBSA-N -1 0 693.790 5.985 1 0 in-vivo KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)n(CC(=O)[O-])c2=O)c2ccccc2)c1 ZINC000025966546 561763193 /nfs/dbraw/zinc/76/31/93/561763193.db2.gz VHUWUHDNOLTEMC-AFUMVMLFSA-N -1 0 607.541 5.381 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc([S@@](C)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025987924 561764356 /nfs/dbraw/zinc/76/43/56/561764356.db2.gz VVFWIKQAXZHMNQ-QLQXKWFPSA-N -1 0 556.769 5.198 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025989872 561764589 /nfs/dbraw/zinc/76/45/89/561764589.db2.gz SAJIBYZMJURFDN-TVZXLZGTSA-N -1 0 563.566 6.767 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4csc5ccccc45)cc3c2O)cc1 ZINC000026005981 561765518 /nfs/dbraw/zinc/76/55/18/561765518.db2.gz XKEKDOOIDKQCJH-UHFFFAOYSA-N -1 0 570.667 7.172 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026012419 561765958 /nfs/dbraw/zinc/76/59/58/561765958.db2.gz CZNBMLOVPYLUKC-LJAQVGFWSA-N -1 0 639.696 6.594 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C=O)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026012819 561766032 /nfs/dbraw/zinc/76/60/32/561766032.db2.gz OAOJLQIBUMOZQL-LJAQVGFWSA-N -1 0 557.668 6.387 1 0 KKAFRM CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1Br ZINC000026165577 561769074 /nfs/dbraw/zinc/76/90/74/561769074.db2.gz VCEBXZBLTUKCPY-UHFFFAOYSA-N -1 0 585.331 5.846 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Oc2ccc(C(=O)NC[C@H](F)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168524 561769538 /nfs/dbraw/zinc/76/95/38/561769538.db2.gz RCMCOMRENMFXOA-KYJUHHDHSA-N -1 0 568.645 6.562 1 0 KKAFRM CCc1nc(C(C)C)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026172033 561769971 /nfs/dbraw/zinc/76/99/71/561769971.db2.gz BSRXWOOMUBMOCY-UHFFFAOYSA-N -1 0 627.483 6.414 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)N[C@H](C)C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026174464 561770642 /nfs/dbraw/zinc/77/06/42/561770642.db2.gz UJQHXCBEBOHEHK-CQSZACIVSA-N -1 0 626.899 5.486 1 0 KKAFRM COc1ccc(-c2cccc(NC(=O)Nc3nc4ccccc4s3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026176877 561770930 /nfs/dbraw/zinc/77/09/30/561770930.db2.gz WIMYCZHWOQUMQA-DEOSSOPVSA-N -1 0 602.694 6.110 1 0 KKAFRM CC1(C)[C@H]2C[C@@H]1C[C@H](C/C=C/CCCC(=O)[O-])[C@H]2NC(=O)c1csc2ccc(NS(C)(=O)=O)cc21 ZINC000026500310 561795363 /nfs/dbraw/zinc/79/53/63/561795363.db2.gz JWNVBKCNMZXNOF-NWGYZYEYSA-N -1 0 518.701 5.255 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000026396206 561787004 /nfs/dbraw/zinc/78/70/04/561787004.db2.gz WFQFQAQNCYHBTC-MFMCTBQISA-N -1 0 578.690 5.582 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2F)cc1)C(C)(C)C ZINC000026397279 561787299 /nfs/dbraw/zinc/78/72/99/561787299.db2.gz PPTRNTHJEHNDDP-LMSSTIIKSA-N -1 0 566.654 5.713 1 0 KKAFRM CC(C)O[C@@H](Cc1ccc(OCCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)[O-] ZINC000026467042 561789883 /nfs/dbraw/zinc/78/98/83/561789883.db2.gz BJHZSSYBTHEQGF-IBGZPJMESA-N -1 0 532.437 5.816 1 0 KKAFRM CC(C)O[C@H](Cc1ccc(OCCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)[O-] ZINC000026467049 561789888 /nfs/dbraw/zinc/78/98/88/561789888.db2.gz BJHZSSYBTHEQGF-LJQANCHMSA-N -1 0 532.437 5.816 1 0 KKAFRM COc1ccc(F)c(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026484569 561792273 /nfs/dbraw/zinc/79/22/73/561792273.db2.gz STBNKLKLAVOMHK-PKTZIBPZSA-N -1 0 625.502 5.302 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccc(Br)cc1Cl ZINC000026494729 561794142 /nfs/dbraw/zinc/79/41/42/561794142.db2.gz LXOSRVCKEOYAQT-IBGZPJMESA-N -1 0 570.654 6.087 1 0 KKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(OCc4ccc5ccccc5n4)ccc3n(Cc3ccc4ccccc4n3)c2c1 ZINC000026568142 561797502 /nfs/dbraw/zinc/79/75/02/561797502.db2.gz VAPHVOKMQSQXEN-JOCHJYFZSA-N -1 0 537.619 7.706 1 0 KKAFRM O=C(Nc1cc(Cl)c(Sc2nc3ccccc3s2)c(Cl)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026568673 561797608 /nfs/dbraw/zinc/79/76/08/561797608.db2.gz XQFNGYXRZRHIKI-UHFFFAOYSA-N -1 0 516.258 8.019 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4NC(=O)c4ccccc4CC(=O)[O-])cc3)sc2c1 ZINC000026570592 561798004 /nfs/dbraw/zinc/79/80/04/561798004.db2.gz JYLMTIYGNWDAHE-UHFFFAOYSA-N -1 0 618.136 7.631 1 0 KKAFRM CCCCc1nc(Cl)c(CNC(=O)N[C@H](C)c2cccc3ccccc32)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026573729 561798735 /nfs/dbraw/zinc/79/87/35/561798735.db2.gz AMKQQXFDFYVBGJ-HSZRJFAPSA-N -1 0 595.143 8.006 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc([C@H]2C[C@H]2c2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026573720 561798744 /nfs/dbraw/zinc/79/87/44/561798744.db2.gz UQJBBYJBUQUDNA-FKCDAAJZSA-N -1 0 640.698 9.764 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccccc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026574809 561798947 /nfs/dbraw/zinc/79/89/47/561798947.db2.gz OSSGVJHRBLHMLQ-KMEWNKIWSA-N -1 0 568.591 9.436 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccccc2C2(O)CCC2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026575810 561799579 /nfs/dbraw/zinc/79/95/79/561799579.db2.gz YTYZMTWLPBHKJN-KFVWQZTJSA-N -1 0 638.682 9.807 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2cc(-c3cccc(C(=O)[O-])c3)on2)cc1 ZINC000026576620 561800451 /nfs/dbraw/zinc/80/04/51/561800451.db2.gz FSYBDHHDBKGMPN-SANMLTNESA-N -1 0 540.620 6.438 1 0 KKAFRM CC(C)c1ccc2c(c1)CC[C@H]1C[C@](C)(CNC(=O)c3ccccc3-c3ccccc3C(=O)[O-])CC[C@]21C ZINC000026580046 561805498 /nfs/dbraw/zinc/80/54/98/561805498.db2.gz CLBLFDBPNPPMIZ-KITUAILOSA-N -1 0 509.690 7.616 1 0 KKAFRM COc1ccc(COc2ccc3c4c(c(CC(C)(C)C(=O)[O-])n3Cc3ccc(Cl)cc3)S[C@@H](C)Cc42)nc1 ZINC000026667313 561811411 /nfs/dbraw/zinc/81/14/11/561811411.db2.gz UORFYXWHQZJVIR-SFHVURJKSA-N -1 0 551.108 7.016 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccccn2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667908 561811523 /nfs/dbraw/zinc/81/15/23/561811523.db2.gz DJOHEBROURTEMK-JOCHJYFZSA-N -1 0 563.723 7.416 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)N[C@H](CC(F)F)C(=O)NCCc2ccc(C(=O)[O-])cc2)N(C(=O)C(C)(C)C)C1 ZINC000026669144 561811920 /nfs/dbraw/zinc/81/19/20/561811920.db2.gz WVCFLTSGBWSZER-HPENDQLSSA-N -1 0 716.782 5.502 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3[S@]1=O ZINC000026669994 561812220 /nfs/dbraw/zinc/81/22/20/561812220.db2.gz AADUXTNZXBDKCQ-HBQNFUEHSA-N -1 0 613.179 7.690 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccccc3C(F)(F)F)c3ccccc32)n1 ZINC000026671680 561812518 /nfs/dbraw/zinc/81/25/18/561812518.db2.gz QSPLUDJQEFUAHB-OFSOJUDTSA-N -1 0 576.575 5.024 1 0 KKAFRM Cc1ccc(C)c(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000026674983 561813800 /nfs/dbraw/zinc/81/38/00/561813800.db2.gz MTTFWJGDJLLRIK-BHYZAODMSA-N -1 0 575.492 6.522 1 0 KKAFRM CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)COc2ccc(Cl)c(Cl)c2)c1)C(=O)[O-] ZINC000026743888 561818500 /nfs/dbraw/zinc/81/85/00/561818500.db2.gz HZHNVQAONNDZTQ-UHFFFAOYSA-N -1 0 666.442 8.313 1 0 KKAFRM C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026744167 561818559 /nfs/dbraw/zinc/81/85/59/561818559.db2.gz XFBNCYABIIKUDT-RFVSGWPVSA-N -1 0 514.470 5.619 1 0 KKAFRM COc1ccc([C@H](CC(=O)[O-])NC(=O)CN(CCC(C)C)C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1OC ZINC000026745815 561818894 /nfs/dbraw/zinc/81/88/94/561818894.db2.gz LYOQXGGFOYBHQO-NDEPHWFRSA-N -1 0 618.731 5.406 1 0 KKAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000026749775 561819471 /nfs/dbraw/zinc/81/94/71/561819471.db2.gz SRWIIOHNLRVGGY-MIPYOGIXSA-N -1 0 595.696 5.123 1 0 KKAFRM Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c([C@@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)c1 ZINC000026750443 561819631 /nfs/dbraw/zinc/81/96/31/561819631.db2.gz HITATFSDGIRUCG-PLXFJCCSSA-N -1 0 520.519 5.607 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc(C)c1/C=C/c1cccc(C(=O)[O-])c1 ZINC000026816396 561820294 /nfs/dbraw/zinc/82/02/94/561820294.db2.gz ZJZPTIZEFOUUEZ-VAWYXSNFSA-N -1 0 536.455 8.836 1 0 KKAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCC[C@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000026817167 561820386 /nfs/dbraw/zinc/82/03/86/561820386.db2.gz HZGJNOIOQNCQTF-IWJWPENGSA-N -1 0 692.813 5.114 1 0 KKAFRM C[C@H](NC(=O)N(C(=O)OC(C)(C)C)[C@H](Cc1ccncc1)C(=O)[O-])[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026820919 561821098 /nfs/dbraw/zinc/82/10/98/561821098.db2.gz PKCHMFXWHUVQBN-JHHGQKGPSA-N -1 0 639.878 7.068 1 0 KKAFRM CCNC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026835665 561824266 /nfs/dbraw/zinc/82/42/66/561824266.db2.gz WZQNDQZVFSLAEE-UHFFFAOYSA-N -1 0 639.494 6.558 1 0 KKAFRM COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ccc(N)cc1C(=O)[O-] ZINC000027081690 561835118 /nfs/dbraw/zinc/83/51/18/561835118.db2.gz SEWAYSRZJGUAAV-YETRJBRWSA-N -1 0 589.733 6.474 1 0 KKAFRM CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000026840833 561825678 /nfs/dbraw/zinc/82/56/78/561825678.db2.gz XEQNKUQWDCUQLR-RUZDIDTESA-N -1 0 528.996 5.402 1 0 KKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc3ccccc3c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026849227 561827038 /nfs/dbraw/zinc/82/70/38/561827038.db2.gz VZRXLVZKTFWEOG-FMQUCBEESA-N -1 0 510.684 7.995 1 0 KKAFRM COc1ccc(NN[C@@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@H]6[C@H](C(C)C)CC[C@]6(C(=O)[O-])CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)cc1 ZINC000026942756 561828128 /nfs/dbraw/zinc/82/81/28/561828128.db2.gz JUFZGOUKUBNWEH-GVHFSPAHSA-N -1 0 578.882 8.802 1 0 KKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(OCc2ccccn2)cc1 ZINC000026949810 561828780 /nfs/dbraw/zinc/82/87/80/561828780.db2.gz WWFHJMOXDLBQPD-DEOSSOPVSA-N -1 0 528.527 6.930 1 0 KKAFRM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1cccnc1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000026952751 561828922 /nfs/dbraw/zinc/82/89/22/561828922.db2.gz CPWNXRJSIHKXDW-YTCPBCGMSA-N -1 0 634.726 5.363 1 0 KKAFRM CCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026978266 561831040 /nfs/dbraw/zinc/83/10/40/561831040.db2.gz TZKHNAIXPXYEML-UHFFFAOYSA-N -1 0 503.514 6.092 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCNC(=O)CCCc1ccccc1)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000026983370 561831668 /nfs/dbraw/zinc/83/16/68/561831668.db2.gz WPWKYFZHRKLCAD-DSPMFFIESA-N -1 0 628.814 5.120 1 0 KKAFRM COc1cccc(CC[C@H](C[P@](=O)([O-])CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)c1 ZINC000026986582 561832013 /nfs/dbraw/zinc/83/20/13/561832013.db2.gz DVZGEDWEZGPRNW-ZUKKLESISA-N -1 0 661.736 5.760 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000026988021 561832101 /nfs/dbraw/zinc/83/21/01/561832101.db2.gz HRGAGPHIMDDLDX-UHFFFAOYSA-N -1 0 551.530 5.858 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4ccc5c(c4)OCO5)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026989926 561832395 /nfs/dbraw/zinc/83/23/95/561832395.db2.gz WITAEDNLANZMNY-UHFFFAOYSA-N -1 0 534.480 5.398 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)NCc1ccccc1)C(=O)Nc1ccccc1 ZINC000026991763 561832602 /nfs/dbraw/zinc/83/26/02/561832602.db2.gz BXMNIXOHCAIUBA-BHYZAODMSA-N -1 0 634.758 5.955 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)c3cccc(N(C)C)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026994243 561832932 /nfs/dbraw/zinc/83/29/32/561832932.db2.gz SKIWSDMQBJOXJH-LZCSLOIJSA-N -1 0 564.748 6.524 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2C=CC(=O)[O-])cc1 ZINC000026995842 561833244 /nfs/dbraw/zinc/83/32/44/561833244.db2.gz SVQXSWOXOXCOBS-PTQUWOLPSA-N -1 0 667.768 6.893 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCOc1ncc(Br)cn1 ZINC000026995982 561833246 /nfs/dbraw/zinc/83/32/46/561833246.db2.gz SCOSJTHYNURMHO-UHFFFAOYSA-N -1 0 630.521 5.386 1 0 KKAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C(F)(F)F)cc2)nc1 ZINC000027073575 561833842 /nfs/dbraw/zinc/83/38/42/561833842.db2.gz JWJIPTDWQPLYEA-UHFFFAOYSA-N -1 0 619.691 6.230 1 0 KKAFRM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078230 561834637 /nfs/dbraw/zinc/83/46/37/561834637.db2.gz ROPVYNUGSZRGBD-WOCSTVOOSA-N -1 0 694.902 5.531 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2nccs2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027195921 561844238 /nfs/dbraw/zinc/84/42/38/561844238.db2.gz KVCDBPGOKYXVEC-NDEPHWFRSA-N -1 0 559.757 6.257 1 0 KKAFRM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)Nc2c(Br)cccc2Br)cc1 ZINC000027195413 561844282 /nfs/dbraw/zinc/84/42/82/561844282.db2.gz KEGRAIQJSRYPGR-UFKXBGGNSA-N -1 0 632.305 5.429 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(/C=C/c3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C ZINC000027185314 561842456 /nfs/dbraw/zinc/84/24/56/561842456.db2.gz KLXSFMWSUFMGKA-SXFUJLSXSA-N -1 0 633.088 7.392 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027192930 561843857 /nfs/dbraw/zinc/84/38/57/561843857.db2.gz IPGVKZZFCUFECK-PMERELPUSA-N -1 0 540.685 6.548 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199533 561844893 /nfs/dbraw/zinc/84/48/93/561844893.db2.gz TUSAXPOIIISQPP-LJAQVGFWSA-N -1 0 589.739 5.389 1 0 KKAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccc(OCc3ccccc3)cc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000027202766 561845478 /nfs/dbraw/zinc/84/54/78/561845478.db2.gz JIDWZFKDSWCOBM-HHHXNRCGSA-N -1 0 502.567 5.227 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cn1cc([C@H](C(=O)[O-])c2ccccc2)c2c1cccc2OCc1ccccc1 ZINC000027209618 561846855 /nfs/dbraw/zinc/84/68/55/561846855.db2.gz BQBRLBFXMFVPSC-JGCGQSQUSA-N -1 0 532.640 6.138 1 0 KKAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3S2(=O)=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000027303027 561849278 /nfs/dbraw/zinc/84/92/78/561849278.db2.gz BOXAYSWQFMJSDX-OEOAZWSVSA-N -1 0 528.051 5.423 1 0 KKAFRM Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)[O-])c4)c3Cl)cccn2c1Br ZINC000027330140 561854677 /nfs/dbraw/zinc/85/46/77/561854677.db2.gz IQUVJGNYIACOPA-UHFFFAOYSA-N -1 0 635.302 5.774 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027408046 561855898 /nfs/dbraw/zinc/85/58/98/561855898.db2.gz QCVHVATWUZWEJD-BSVJEQNDSA-N -1 0 628.770 5.249 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1ccccc1)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426567 561858558 /nfs/dbraw/zinc/85/85/58/561858558.db2.gz CPUZQNCYTMEBRA-VVFBEHOQSA-N -1 0 545.657 5.888 1 0 KKAFRM O=C([O-])CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427399 561858693 /nfs/dbraw/zinc/85/86/93/561858693.db2.gz TUGLFOOUIBUAGY-XWAJJRNMSA-N -1 0 684.837 5.252 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027428178 561858778 /nfs/dbraw/zinc/85/87/78/561858778.db2.gz NLYKYOJFKOSQBY-HLADLETHSA-N -1 0 546.645 5.283 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429508 561859099 /nfs/dbraw/zinc/85/90/99/561859099.db2.gz JAKCRXOLNCFAGC-UUBJYFFXSA-N -1 0 707.871 6.907 1 0 KKAFRM COc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)nc1 ZINC000027522094 561864387 /nfs/dbraw/zinc/86/43/87/561864387.db2.gz YTYIEGFQGGDPOC-AFWAVLRTSA-N -1 0 531.718 7.150 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517863 561861621 /nfs/dbraw/zinc/86/16/21/561861621.db2.gz DSHYGKAKVRNSRB-RSXGOPAZSA-N -1 0 576.694 5.344 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1cccc(F)c1C(=O)[O-] ZINC000027517980 561861684 /nfs/dbraw/zinc/86/16/84/561861684.db2.gz CLBSUXAKVNZMLQ-UHFFFAOYSA-N -1 0 562.609 8.191 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccccc2Cl)cc1-c1ccccc1)C(=O)[O-] ZINC000027518360 561862124 /nfs/dbraw/zinc/86/21/24/561862124.db2.gz YUZCTQOZQNXHDG-MHZLTWQESA-N -1 0 549.096 5.800 1 0 KKAFRM CCCc1c(OCCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)[O-] ZINC000027518464 561862249 /nfs/dbraw/zinc/86/22/49/561862249.db2.gz AKOVMIAPVGZJTL-UHFFFAOYSA-N -1 0 558.646 8.442 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2ccc(Cl)cc2C(=O)[O-])c3S1 ZINC000027519946 561863269 /nfs/dbraw/zinc/86/32/69/561863269.db2.gz JJJSZTZEPKAEHZ-DEOSSOPVSA-N -1 0 695.668 9.994 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1)C(=O)[O-] ZINC000027520678 561863628 /nfs/dbraw/zinc/86/36/28/561863628.db2.gz BKSIKSJVVZGDPT-XIFFEERXSA-N -1 0 590.749 6.814 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(Br)cc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550324 561867744 /nfs/dbraw/zinc/86/77/44/561867744.db2.gz RSSZDVNBQCABNN-DQBJLQAUSA-N -1 0 669.694 6.605 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(I)cc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027552614 561868425 /nfs/dbraw/zinc/86/84/25/561868425.db2.gz HDJXWQOUOGUZPN-DQBJLQAUSA-N -1 0 716.694 6.447 1 0 KKAFRM O=C(NCCc1ccc(-c2ccccc2)cc1)[C@H](Cc1ccc2c(c1)oc1ccccc12)NC[P@](=O)([O-])O ZINC000027558053 561870025 /nfs/dbraw/zinc/87/00/25/561870025.db2.gz GROHVXRLVZHFFW-MHZLTWQESA-N -1 0 528.545 5.248 1 0 KKAFRM CCOc1cc(CC(=O)N[C@@H](CC2CCCCCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027559846 561870464 /nfs/dbraw/zinc/87/04/64/561870464.db2.gz YEYYKGGOVBWNLF-MHZLTWQESA-N -1 0 506.687 6.534 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCOC3CCCCC3)co2)cc1)c1cccnc1 ZINC000027622147 561872651 /nfs/dbraw/zinc/87/26/51/561872651.db2.gz JTCXJAJLGOTNRH-XODNFHPESA-N -1 0 545.680 6.673 1 0 KKAFRM CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)[O-])CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1 ZINC000027628528 561873451 /nfs/dbraw/zinc/87/34/51/561873451.db2.gz WNMNOTRKSZQFML-NDESRDLBSA-N -1 0 598.733 5.776 1 0 KKAFRM CCCCc1nnc(SCc2cccc(Cl)c2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027705645 561878763 /nfs/dbraw/zinc/87/87/63/561878763.db2.gz YJUBRQARMPUNBI-UHFFFAOYSA-N -1 0 535.069 6.565 1 0 KKAFRM O=C([O-])CCCOc1ccccc1-c1cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2o1 ZINC000027642490 561875478 /nfs/dbraw/zinc/87/54/78/561875478.db2.gz YUEWUJHHFXPSJH-UHFFFAOYSA-N -1 0 505.570 6.863 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N(Cc1cc2c(cc1Cl)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000027645423 561875760 /nfs/dbraw/zinc/87/57/60/561875760.db2.gz NERFPSPHIWEUJG-JOCHJYFZSA-N -1 0 541.387 5.630 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Cl)c2c1 ZINC000027657390 561878023 /nfs/dbraw/zinc/87/80/23/561878023.db2.gz SKLCXBDPCHTTOR-UHFFFAOYSA-N -1 0 511.369 5.872 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(OCOC(=O)CC1CCCCC1)OCOC(=O)CC1CCCCC1)S(=O)(=O)[O-] ZINC000027717447 561880266 /nfs/dbraw/zinc/88/02/66/561880266.db2.gz NQHMNQZKBHOTPB-HEPLQLGHSA-N -1 0 716.915 9.958 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000027726798 561881045 /nfs/dbraw/zinc/88/10/45/561881045.db2.gz PAQASDDWSSJUAH-UVIRAJKCSA-N -1 0 701.245 5.804 1 0 KKAFRM CCCOc1ccncc1/C=C/c1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)c1 ZINC000027769191 561885041 /nfs/dbraw/zinc/88/50/41/561885041.db2.gz STZJDNIOWZMUJX-OXXZUKKGSA-N -1 0 504.652 5.952 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncc(-c3ccccc3)c2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027842428 561885152 /nfs/dbraw/zinc/88/51/52/561885152.db2.gz BLFLJMSPCIGQQF-AMYCCCOXSA-N -1 0 522.670 6.831 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCCC1 ZINC000027991971 561893202 /nfs/dbraw/zinc/89/32/02/561893202.db2.gz DSUVGJSTQKJVAX-VWLOTQADSA-N -1 0 570.505 5.405 1 0 KKAFRM O=C([O-])C1CCN(c2cccc(-c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cn4)cc3)c2)CC1 ZINC000028094320 561900469 /nfs/dbraw/zinc/90/04/69/561900469.db2.gz MRHKZGAUAUMYTL-UHFFFAOYSA-N -1 0 589.479 6.861 1 0 KKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCC(C)(C)CC4)cc3Cl)cc2O1 ZINC000028124682 561904757 /nfs/dbraw/zinc/90/47/57/561904757.db2.gz WDMMWNUGDTVAIZ-GDLZYMKVSA-N -1 0 501.063 7.430 1 0 KKAFRM O=C([O-])[C@H](C1CCCCC1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028130884 561905683 /nfs/dbraw/zinc/90/56/83/561905683.db2.gz VLAINUWPADNNIT-PMACEKPBSA-N -1 0 552.796 5.114 1 0 KKAFRM CC[C@H](C)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028131566 561905801 /nfs/dbraw/zinc/90/58/01/561905801.db2.gz HUDNYOPDDZZSAR-CGCBVRACSA-N -1 0 569.871 7.765 1 0 KKAFRM COc1ccc([C@H](c2oc3c(c2[O-])c(OC)cc(OC)c3Cl)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028220636 561907301 /nfs/dbraw/zinc/90/73/01/561907301.db2.gz OSJRZMYTBINECU-RBISFHTESA-N -1 0 510.970 5.331 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4cccnc4)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028331774 561912864 /nfs/dbraw/zinc/91/28/64/561912864.db2.gz WKMCUWKEYQVDLS-UHFFFAOYSA-N -1 0 527.039 8.173 1 0 KKAFRM CC(=O)c1ccccc1-c1ccc(-c2ccc3c(c2)c(C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(Cl)cc2)cc1F ZINC000028332836 561912925 /nfs/dbraw/zinc/91/29/25/561912925.db2.gz NSJDFUBAWYKQKM-UHFFFAOYSA-N -1 0 568.088 8.980 1 0 KKAFRM CC(=O)N(CC(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028334123 561913118 /nfs/dbraw/zinc/91/31/18/561913118.db2.gz JKBSSLUMDOSVRK-QHCPKHFHSA-N -1 0 527.448 6.666 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc(C(F)(F)F)c1 ZINC000028335076 561913164 /nfs/dbraw/zinc/91/31/64/561913164.db2.gz PMMFHKXXIHYTBL-DEOSSOPVSA-N -1 0 637.526 8.711 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N3CCC[C@@H]3C(=O)[O-])CC[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 ZINC000028334848 561913166 /nfs/dbraw/zinc/91/31/66/561913166.db2.gz GIGRQXTYORXVQZ-WIUDDJNDSA-N -1 0 553.828 7.225 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])CC[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 ZINC000028335323 561913379 /nfs/dbraw/zinc/91/33/79/561913379.db2.gz FYVHPADZKHBHBV-MMRYPAEISA-N -1 0 603.888 7.961 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ccc1OC(C)C ZINC000028337969 561913613 /nfs/dbraw/zinc/91/36/13/561913613.db2.gz NJWAMCOTWKQQQO-DEOSSOPVSA-N -1 0 628.597 7.874 1 0 KKAFRM CC(C)CN(C(=O)C1CCCCC1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028346431 561915048 /nfs/dbraw/zinc/91/50/48/561915048.db2.gz FZQOZKVAFGCHRB-MHZLTWQESA-N -1 0 595.567 8.226 1 0 KKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C2CCCCC2)s1 ZINC000028348115 561915164 /nfs/dbraw/zinc/91/51/64/561915164.db2.gz KVOPMRICDIBARO-UHFFFAOYSA-N -1 0 504.530 6.419 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4cccc(C)c4)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028351487 561915512 /nfs/dbraw/zinc/91/55/12/561915512.db2.gz FDDGUAXURKWLNT-UHFFFAOYSA-N -1 0 540.078 9.086 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CC[C@@H](O)[C@H](C(=O)[O-])C3)c2)cc1C(F)(F)F ZINC000028352400 561915644 /nfs/dbraw/zinc/91/56/44/561915644.db2.gz QUGRAPNUWRECOX-IFMALSPDSA-N -1 0 516.585 6.314 1 0 KKAFRM CC(C)c1c(Br)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028367564 561917854 /nfs/dbraw/zinc/91/78/54/561917854.db2.gz GNILYMBPULVZDP-LKWCPCFXSA-N -1 0 534.397 6.044 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccc(F)cc3)cc2)cc1 ZINC000028466971 561926275 /nfs/dbraw/zinc/92/62/75/561926275.db2.gz NPJSZRPDARVAOO-UMSFTDKQSA-N -1 0 542.606 8.571 1 0 KKAFRM COc1ccc(Cl)cc1-c1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1Sc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028390002 561922098 /nfs/dbraw/zinc/92/20/98/561922098.db2.gz XJUSJGMWFXUWEX-UHFFFAOYSA-N -1 0 608.969 7.289 1 0 KKAFRM [O-]c1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br ZINC000028455304 561923404 /nfs/dbraw/zinc/92/34/04/561923404.db2.gz LDMKXEGTHGJWLG-UHFFFAOYSA-N -1 0 659.586 7.760 1 0 in-vivo KKAFRM [O-]c1cc(Br)c(Br)c2c1Oc1cc(Br)cc(Br)c1O2 ZINC000028455296 561923441 /nfs/dbraw/zinc/92/34/41/561923441.db2.gz SSCRQJOLSHUSSG-UHFFFAOYSA-N -1 0 515.777 6.340 1 0 in-vivo KKAFRM Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@@](C)(Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000028458271 561924423 /nfs/dbraw/zinc/92/44/23/561924423.db2.gz OWGYDBJOWZBKDM-PGUFJCEWSA-N -1 0 547.651 7.712 1 0 KKAFRM Cc1cc(O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[C@]1(c2ccccc2)C(=O)Nc2ccccc21 ZINC000028460207 561924928 /nfs/dbraw/zinc/92/49/28/561924928.db2.gz UYMFGHZKRJSGGC-WJOKGBTCSA-N -1 0 526.658 6.085 1 0 KKAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000028461203 561925267 /nfs/dbraw/zinc/92/52/67/561925267.db2.gz CQNBFMFDCAMQFO-UVMMSNCQSA-N -1 0 664.784 5.737 1 0 KKAFRM Cc1c(Oc2cc(Cl)cc(O[C@@H](C)C(=O)[O-])c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc21 ZINC000028474077 561927512 /nfs/dbraw/zinc/92/75/12/561927512.db2.gz CYYCGMVJHHNAFY-ZDUSSCGKSA-N -1 0 581.330 7.930 1 0 KKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000028476766 561928236 /nfs/dbraw/zinc/92/82/36/561928236.db2.gz WUBAWHHZJWKPLY-MOSHPQCFSA-N -1 0 520.301 6.045 1 0 KKAFRM CC(=O)Nc1cccc(-c2cccc(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)[O-])CC4)[C@@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)c2)c1 ZINC000028477656 561928470 /nfs/dbraw/zinc/92/84/70/561928470.db2.gz KVTOHOKDPIIWMQ-JECBGHPASA-N -1 0 701.861 5.705 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccccc2-c2ccccc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028477662 561928561 /nfs/dbraw/zinc/92/85/61/561928561.db2.gz HYXHDWFLOFGDME-OEDUIHAMSA-N -1 0 644.809 5.746 1 0 KKAFRM CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCCCC[NH+](CC(=O)[O-])CC(=O)[O-])cc2)[C@H]1O ZINC000028524989 561931008 /nfs/dbraw/zinc/93/10/08/561931008.db2.gz GKEJWKKCCKBPTI-KKLWWLSJSA-N -1 0 660.874 5.420 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000028525844 561931753 /nfs/dbraw/zinc/93/17/53/561931753.db2.gz BBEVWACOHXBZRJ-UHFFFAOYSA-N -1 0 599.658 5.836 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1)C(=O)[O-] ZINC000028528566 561933180 /nfs/dbraw/zinc/93/31/80/561933180.db2.gz YHEMJEYZYLVDRO-DEOSSOPVSA-N -1 0 571.449 5.502 1 0 KKAFRM CC(C)COc1ccc2c(c1)c(Oc1cccc(C(F)(F)F)c1)c(C(=O)[O-])n2-c1ccc(C(C)(C)C)cc1 ZINC000028528910 561933439 /nfs/dbraw/zinc/93/34/39/561933439.db2.gz WRQQBPQQSNVETI-UHFFFAOYSA-N -1 0 525.567 8.472 1 0 KKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(Cl)cc3)cc21 ZINC000028565398 561936199 /nfs/dbraw/zinc/93/61/99/561936199.db2.gz BYQLMKIVHJIOJT-JWQCQUIFSA-N -1 0 516.037 7.733 1 0 KKAFRM CC[C@@H](CNc1ccc(OCC(=O)[O-])cc1)NC(=O)C1(Nc2cccc(-c3ccccc3)c2)CCCCC1 ZINC000028571838 561939504 /nfs/dbraw/zinc/93/95/04/561939504.db2.gz BQGSBVIAYOMDCR-VWLOTQADSA-N -1 0 515.654 5.939 1 0 KKAFRM CN1c2ccc(SCc3ccc(Cl)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708820 561950449 /nfs/dbraw/zinc/95/04/49/561950449.db2.gz RYXITAYATKODHN-UHFFFAOYSA-N -1 0 595.208 9.930 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4cccc(C(=O)[O-])c4)cc3)C[C@@]21C ZINC000028709062 561950596 /nfs/dbraw/zinc/95/05/96/561950596.db2.gz VXTRUBOAMHLJIR-ONBGVYQJSA-N -1 0 549.711 6.675 1 0 KKAFRM COc1ccc(O[C@H](COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000028704677 561948816 /nfs/dbraw/zinc/94/88/16/561948816.db2.gz MXNLHAGXHFWJTB-JOCHJYFZSA-N -1 0 522.541 6.105 1 0 KKAFRM CCCC(=O)c1ccc(O[C@@H](COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000028704679 561948818 /nfs/dbraw/zinc/94/88/18/561948818.db2.gz CWQIBOADRQLLDW-DEOSSOPVSA-N -1 0 562.606 7.079 1 0 KKAFRM CCN(C(=O)SCC(=O)Nc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705220 561948986 /nfs/dbraw/zinc/94/89/86/561948986.db2.gz FXCDWUSBVFLBGO-UHFFFAOYSA-N -1 0 573.542 7.903 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Br)oc4ccccc43)cc2)cc1 ZINC000028758625 561957390 /nfs/dbraw/zinc/95/73/90/561957390.db2.gz GTYZKEXJBLKNFF-SANMLTNESA-N -1 0 513.387 7.604 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c5ccccc5oc4Cc4ccccc4)cc3)cc2C2CCCC2)cc1O ZINC000028758619 561957395 /nfs/dbraw/zinc/95/73/95/561957395.db2.gz HMKCTLQYWFHDFG-UHFFFAOYSA-N -1 0 644.745 9.187 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4cc(F)ccc4oc3Cc3ccccc3)cc2)cc1 ZINC000028756363 561956190 /nfs/dbraw/zinc/95/61/90/561956190.db2.gz RAAXNZBAEGXGAF-UMSFTDKQSA-N -1 0 542.606 8.571 1 0 KKAFRM O=C([O-])[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1 ZINC000028756569 561956382 /nfs/dbraw/zinc/95/63/82/561956382.db2.gz YRLFPQSXOJVOLS-UMSFTDKQSA-N -1 0 607.662 7.876 1 0 KKAFRM CC(=O)Nc1ccc2nc(-c3ccc(-c4ccccc4C(=O)[O-])cc3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(=O)c2c1 ZINC000028757785 561956926 /nfs/dbraw/zinc/95/69/26/561956926.db2.gz DISVICNCOHCRIW-UHFFFAOYSA-N -1 0 633.668 6.283 1 0 KKAFRM O=C([O-])COc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc43)cc2)cc1-c1ccccc1 ZINC000028757608 561956977 /nfs/dbraw/zinc/95/69/77/561956977.db2.gz DUKPJMRESMYJTQ-UHFFFAOYSA-N -1 0 526.657 8.957 1 0 KKAFRM [O-]c1c(I)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1I ZINC000028758097 561957212 /nfs/dbraw/zinc/95/72/12/561957212.db2.gz SFBJAXBRJMGJQW-UHFFFAOYSA-N -1 0 644.315 8.741 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761275 561958097 /nfs/dbraw/zinc/95/80/97/561958097.db2.gz PNXGQJYPAQEZOP-VMPREFPWSA-N -1 0 554.712 6.301 1 0 KKAFRM CCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1c(-c2ccccc2)ccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028764425 561959195 /nfs/dbraw/zinc/95/91/95/561959195.db2.gz SWSXKGKFVAADHN-WEZIJMHWSA-N -1 0 645.712 5.870 1 0 KKAFRM COc1cc2c(cc1OCc1ccccc1)n(Cc1ccc3c(c1)OCO3)c(C(=O)[O-])c2Sc1ccc2c(c1)OCO2 ZINC000028769202 561960718 /nfs/dbraw/zinc/96/07/18/561960718.db2.gz DYHGVCADLVCJGZ-UHFFFAOYSA-N -1 0 583.618 6.584 1 0 KKAFRM Cc1c(Cc2cccnc2)cc2c(c1/C=C\CCCC(=O)[O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028770873 561961278 /nfs/dbraw/zinc/96/12/78/561961278.db2.gz WGEOBUQCRFWEKF-LAFYCEOISA-N -1 0 539.097 5.738 1 0 KKAFRM Cc1ccc([C@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000028820974 561966136 /nfs/dbraw/zinc/96/61/36/561966136.db2.gz WLZLRNZXAMKDMI-LJAQVGFWSA-N -1 0 529.592 6.868 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(F)c1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820951 561966193 /nfs/dbraw/zinc/96/61/93/561966193.db2.gz OEXUVAPPKYMPAX-NDEPHWFRSA-N -1 0 533.555 6.699 1 0 KKAFRM CC(C)C[C@@]1(C(=O)NC(C)C)C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822186 561966717 /nfs/dbraw/zinc/96/67/17/561966717.db2.gz IKOPPWPVUBDCTC-NRYAXDJKSA-N -1 0 510.578 5.364 1 0 KKAFRM O=C([O-])COc1ccc(SCc2c(F)cccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2 ZINC000028822334 561966903 /nfs/dbraw/zinc/96/69/03/561966903.db2.gz CDKVMZDUGNDTMQ-UHFFFAOYSA-N -1 0 506.517 6.668 1 0 KKAFRM CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(CCC(=O)[O-])cc2Cl)c(Cl)c1 ZINC000028823594 561968243 /nfs/dbraw/zinc/96/82/43/561968243.db2.gz YWFCIRVBIKEMHQ-UHFFFAOYSA-N -1 0 508.431 5.015 1 0 KKAFRM CCCCNC(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824102 561969003 /nfs/dbraw/zinc/96/90/03/561969003.db2.gz INCVFGLVEWAQIE-UHFFFAOYSA-N -1 0 552.719 7.906 1 0 KKAFRM CCCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2CC)C(C)(C)CCC3(C)C ZINC000028824143 561969114 /nfs/dbraw/zinc/96/91/14/561969114.db2.gz CFAJJPIHXJNECF-UHFFFAOYSA-N -1 0 573.759 7.526 1 0 KKAFRM COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)cc1 ZINC000028824166 561969178 /nfs/dbraw/zinc/96/91/78/561969178.db2.gz TVWGCBILLCSIPY-UHFFFAOYSA-N -1 0 623.775 7.794 1 0 KKAFRM Cc1ccc(S(=O)(=O)Oc2ccc3c([O-])c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)cc1 ZINC000028868746 561973796 /nfs/dbraw/zinc/97/37/96/561973796.db2.gz UYCQWHGFWJGCQU-UHFFFAOYSA-N -1 0 549.601 5.239 1 0 KKAFRM O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028870688 561974048 /nfs/dbraw/zinc/97/40/48/561974048.db2.gz JPOZTPLEYKWVIN-UHFFFAOYSA-N -1 0 508.185 6.492 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000028879822 561976548 /nfs/dbraw/zinc/97/65/48/561976548.db2.gz NUMCNEHKYPZAJI-NDEPHWFRSA-N -1 0 564.548 5.855 1 0 KKAFRM CN(Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)[N-]c1ccno1)C(=O)CC(C)(C)C ZINC000028886864 561977659 /nfs/dbraw/zinc/97/76/59/561977659.db2.gz IDLNVQZPQPDNDW-UHFFFAOYSA-N -1 0 508.600 5.192 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc1F)n2C1CCCCC1 ZINC000028893993 561978696 /nfs/dbraw/zinc/97/86/96/561978696.db2.gz RQZIVCONIDVJMU-UHFFFAOYSA-N -1 0 612.702 6.588 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(N4CCCCC4=O)ccc3N3CCOCC3)cc1F)n2C1CCCCC1 ZINC000028894053 561978744 /nfs/dbraw/zinc/97/87/44/561978744.db2.gz QEAQMIQGVMLOFU-UHFFFAOYSA-N -1 0 626.729 6.978 1 0 KKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccc(OCc3cc(N4CCCC4=O)ccc3-c3ccc(Cl)cc3)cc2OCC1 ZINC000028894130 561978760 /nfs/dbraw/zinc/97/87/60/561978760.db2.gz MJZXZBDZNVUIKZ-UHFFFAOYSA-N -1 0 661.198 9.473 1 0 KKAFRM COCc1ccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)cc1 ZINC000028951265 561981592 /nfs/dbraw/zinc/98/15/92/561981592.db2.gz PJEMFQXLOQKBNM-LOYHVIPDSA-N -1 0 616.730 6.138 1 0 KKAFRM CCCCCOc1ccc([C@](O)(C(=O)[O-])C(F)(F)F)cc1OCCc1sc(-c2ccc(Cl)cc2)nc1C ZINC000028961611 561984357 /nfs/dbraw/zinc/98/43/57/561984357.db2.gz NPPRUHOPMCRSHH-VWLOTQADSA-N -1 0 558.018 6.797 1 0 KKAFRM CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)[O-])CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962486 561984588 /nfs/dbraw/zinc/98/45/88/561984588.db2.gz KMQVBYNPAWHQQD-HKBQPEDESA-N -1 0 563.025 6.514 1 0 KKAFRM CC(C)(Cc1ccc(-c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc43)c2)cc1)C(=O)[O-] ZINC000029037779 561988829 /nfs/dbraw/zinc/98/88/29/561988829.db2.gz HRVCWXNJJCPKEK-UHFFFAOYSA-N -1 0 501.648 6.502 1 0 KKAFRM CCCCCN(C(=O)N[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000028972032 561985903 /nfs/dbraw/zinc/98/59/03/561985903.db2.gz SFXGUQFVLCSTRX-LJQANCHMSA-N -1 0 524.605 6.414 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(-c2ccccc2)cc1 ZINC000028973999 561986302 /nfs/dbraw/zinc/98/63/02/561986302.db2.gz ZLGUIWQSSKLPPX-XRKRLSELSA-N -1 0 550.636 5.268 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977785 561987416 /nfs/dbraw/zinc/98/74/16/561987416.db2.gz UMIIBUJRMKQTQV-DQEYMECFSA-N -1 0 618.659 5.013 1 0 in-vitro KKAFRM CC(C)(C)c1ccc(C[C@H](C(=O)[O-])c2ccc(COc3cccc(-c4ccc(C(F)(F)F)c5ncc(C(=O)c6ccccc6)cc45)c3)cc2)cc1 ZINC000028978732 561988000 /nfs/dbraw/zinc/98/80/00/561988000.db2.gz PGKSRZMWYJNXAT-BHVANESWSA-N -1 0 687.758 10.439 1 0 KKAFRM Cc1c(C)c(NCc2cccc(-c3c(Cc4ccccc4)cnc4c3cccc4C(F)(F)F)c2)ccc1CC(=O)[O-] ZINC000028978870 561988036 /nfs/dbraw/zinc/98/80/36/561988036.db2.gz GCAJNTSVNKDATQ-UHFFFAOYSA-N -1 0 554.612 8.367 1 0 KKAFRM COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4[C@]3(C)CC[C@H]21 ZINC000029041909 561991320 /nfs/dbraw/zinc/99/13/20/561991320.db2.gz VVMGZVYQOSAGQE-MKFGICRJSA-N -1 0 530.746 6.815 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])c1 ZINC000029045241 561992424 /nfs/dbraw/zinc/99/24/24/561992424.db2.gz NOVRKZNBTPUNRI-AREMUKBSSA-N -1 0 518.610 5.897 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)[O-])CCN(C(=O)OCc3ccccc3)C2)c1 ZINC000029045395 561992531 /nfs/dbraw/zinc/99/25/31/561992531.db2.gz GWELIVAUXVQTDF-UHFFFAOYSA-N -1 0 552.627 6.238 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])c1 ZINC000029045689 561992606 /nfs/dbraw/zinc/99/26/06/561992606.db2.gz XIUDSCBTVUHYMN-RPBOFIJWSA-N -1 0 506.599 5.554 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126665 561998788 /nfs/dbraw/zinc/99/87/88/561998788.db2.gz XUCFNKPVYCHTKK-RSXGOPAZSA-N -1 0 500.526 5.069 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126615 561998792 /nfs/dbraw/zinc/99/87/92/561998792.db2.gz XRVNSFDHOMAYDC-YTMVLYRLSA-N -1 0 538.644 6.228 1 0 KKAFRM CCCCCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127164 561999563 /nfs/dbraw/zinc/99/95/63/561999563.db2.gz PCCSZLRCEHQSME-RVYHABARSA-N -1 0 545.764 7.697 1 0 KKAFRM CC(C)[C@H](c1nc(C(=O)[O-])c(Cc2ccc3ccccc3c2)[nH]1)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000029128563 562000956 /nfs/dbraw/zinc/00/09/56/562000956.db2.gz PKLXUXOLWGFFOC-XMMPIXPASA-N -1 0 546.476 6.177 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000029130595 562002700 /nfs/dbraw/zinc/00/27/00/562002700.db2.gz DTPQHLSZUWRLRQ-UHFFFAOYSA-N -1 0 677.266 8.468 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000029130979 562002791 /nfs/dbraw/zinc/00/27/91/562002791.db2.gz PGQKYSOLGUAYHW-UHFFFAOYSA-N -1 0 699.656 8.427 1 0 KKAFRM O=C([O-])CCC/C=C\c1c(Cc2cccnc2)ccc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029202891 562004753 /nfs/dbraw/zinc/00/47/53/562004753.db2.gz BKPPBKJHSDOPPX-XTKPNQCTSA-N -1 0 525.070 5.430 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029210399 562005619 /nfs/dbraw/zinc/00/56/19/562005619.db2.gz JWDCXDPQLHRBFQ-NSOVKSMOSA-N -1 0 691.697 5.587 1 0 KKAFRM CN(C(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccc(C(=O)[O-])cc1 ZINC000029214138 562006211 /nfs/dbraw/zinc/00/62/11/562006211.db2.gz XRYLVHBLLFPJHV-DEOSSOPVSA-N -1 0 574.505 5.416 1 0 KKAFRM O=C([O-])[C@H](CCC(=O)Nc1cccc2ccccc21)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214322 562006227 /nfs/dbraw/zinc/00/62/27/562006227.db2.gz JLRFGTLIJKKOHD-KYJUHHDHSA-N -1 0 695.644 6.196 1 0 KKAFRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214584 562006268 /nfs/dbraw/zinc/00/62/68/562006268.db2.gz PJONSQNKGZRMKM-SXOMAYOGSA-N -1 0 616.586 5.647 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000029215445 562006375 /nfs/dbraw/zinc/00/63/75/562006375.db2.gz DZZCNFRSQJZKRR-HSZRJFAPSA-N -1 0 560.478 5.392 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000029215256 562006424 /nfs/dbraw/zinc/00/64/24/562006424.db2.gz OJFORVQXYJQISL-HSZRJFAPSA-N -1 0 560.478 5.392 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC000029217651 562006713 /nfs/dbraw/zinc/00/67/13/562006713.db2.gz NWWZTXLKVDCJHV-IHLOFXLRSA-N -1 0 695.644 6.196 1 0 KKAFRM CC1(C)CCC(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000029220839 562007251 /nfs/dbraw/zinc/00/72/51/562007251.db2.gz AUROWYJLELKNKL-SXOMAYOGSA-N -1 0 679.686 5.489 1 0 KKAFRM Cn1c(COc2cccc(-c3cc(=O)c4cc(Br)cc(C(=O)[O-])c4o3)c2)nc2ccccc21 ZINC000029223196 562007591 /nfs/dbraw/zinc/00/75/91/562007591.db2.gz SDVHCZWEIFMGPB-UHFFFAOYSA-N -1 0 505.324 5.386 1 0 KKAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(CCC(C)(C)O)c1 ZINC000029312714 562012144 /nfs/dbraw/zinc/01/21/44/562012144.db2.gz YAWKZANKTNYRSZ-HZFUHODCSA-N -1 0 532.637 5.321 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3c(s2)CCCC3)c1 ZINC000029342524 562015594 /nfs/dbraw/zinc/01/55/94/562015594.db2.gz UWSDSISJARUVFA-ZUMFDBBVSA-N -1 0 561.813 8.082 1 0 KKAFRM CCCSc1cc(N[C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029347510 562016455 /nfs/dbraw/zinc/01/64/55/562016455.db2.gz DEKHAPDBZWVZNT-GOSISDBHSA-N -1 0 539.872 6.299 1 0 KKAFRM O=C([O-])CCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029400656 562019575 /nfs/dbraw/zinc/01/95/75/562019575.db2.gz XFKVTZSOTRVSAJ-UHFFFAOYSA-N -1 0 552.462 5.110 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@H]4CC[C@@]3(C)[C@H]12 ZINC000029403046 562020195 /nfs/dbraw/zinc/02/01/95/562020195.db2.gz FILHRDIXAYLUHH-PDTZSGQFSA-N -1 0 540.697 5.665 1 0 KKAFRM O=C1N(Cc2ccc3ccccc3c2)[C@@H](Cc2ccccc2)P(=O)([O-])[C@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1 ZINC000029415377 562022770 /nfs/dbraw/zinc/02/27/70/562022770.db2.gz YZEPJBCNRONXEK-XPSQVAKYSA-N -1 0 610.694 8.839 1 0 KKAFRM O=C([O-])[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)CC1(C(=O)NCc2ccccc2)CCCCC1 ZINC000029417407 562023266 /nfs/dbraw/zinc/02/32/66/562023266.db2.gz PZVUUGVWSTZNBB-XMMPIXPASA-N -1 0 512.606 5.184 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2ccc(C(=O)OCC)c2)cc1 ZINC000029466144 562024403 /nfs/dbraw/zinc/02/44/03/562024403.db2.gz VESYSDVDQKWOBT-MHZLTWQESA-N -1 0 591.108 5.955 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2c(C)ccc2C)cc1 ZINC000029468593 562025116 /nfs/dbraw/zinc/02/51/16/562025116.db2.gz HDWBTKVMAIUHRH-MHZLTWQESA-N -1 0 547.099 6.395 1 0 KKAFRM O=C(Nc1c2ccccc2ccc1C([O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)cc1 ZINC000029473620 562025964 /nfs/dbraw/zinc/02/59/64/562025964.db2.gz NKOQDJNKUIVVCI-UHFFFAOYSA-N -1 0 539.213 6.009 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029476484 562026530 /nfs/dbraw/zinc/02/65/30/562026530.db2.gz CVTDNWBPWCXPFN-UHFFFAOYSA-N -1 0 559.688 5.415 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@](CCC)(C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545840 562029696 /nfs/dbraw/zinc/02/96/96/562029696.db2.gz DLBQNJVBPUWMLS-HKBQPEDESA-N -1 0 540.653 6.327 1 0 KKAFRM CC(=O)OC[C@]12CCC(C)(C)C[C@@H]1C(=O)[C@](C)([C@]1(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]1CC(=O)[O-])CC2 ZINC000029548684 562030424 /nfs/dbraw/zinc/03/04/24/562030424.db2.gz IOOUMLPTDODAHX-MKBUQTBCSA-N -1 0 574.799 6.997 1 0 KKAFRM COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000029553822 562031690 /nfs/dbraw/zinc/03/16/90/562031690.db2.gz QODRKUNYZZPWLY-IADCTJSHSA-N -1 0 621.539 5.033 1 0 KKAFRM C[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000033505327 562037399 /nfs/dbraw/zinc/03/73/99/562037399.db2.gz KIXUYPGQLHRJLT-QGZVFWFLSA-N -1 0 500.555 5.257 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000034080899 562038279 /nfs/dbraw/zinc/03/82/79/562038279.db2.gz CEQYDPFPSHRSQD-QHSLDKKCSA-N -1 0 526.593 5.656 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1)n2C1CCCCC1 ZINC000034314082 562038737 /nfs/dbraw/zinc/03/87/37/562038737.db2.gz MRHFHIDNFDSPHF-UHFFFAOYSA-N -1 0 502.614 8.153 1 0 KKAFRM O=C(Nc1ccc2ccccc2c1)[C@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])CCc1ccccc1 ZINC000034471489 562038990 /nfs/dbraw/zinc/03/89/90/562038990.db2.gz PRNSPHBMPVHQDP-MHZLTWQESA-N -1 0 519.990 7.901 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)[O-])c2c1CCN(C(=O)OCC(C)C)C2 ZINC000034717763 562039998 /nfs/dbraw/zinc/03/99/98/562039998.db2.gz ZGYKSGFEFIEJCW-UHFFFAOYSA-N -1 0 506.599 5.439 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799794 562040616 /nfs/dbraw/zinc/04/06/16/562040616.db2.gz POAFNNRQISTGEJ-JBQSSDAJSA-N -1 0 657.804 7.130 1 0 KKAFRM CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000034799777 562040651 /nfs/dbraw/zinc/04/06/51/562040651.db2.gz NDHJVWMMRYNVOM-NGDRWEMDSA-N -1 0 603.712 5.959 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088611 562046347 /nfs/dbraw/zinc/04/63/47/562046347.db2.gz AWCLHLGSQOIWDA-VSGBNLITSA-N -1 0 621.140 5.036 1 0 KKAFRM COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C3(C(=O)[O-])CCOCC3)c2)n1 ZINC000035873694 562045544 /nfs/dbraw/zinc/04/55/44/562045544.db2.gz QBDCAGNZOIEWRB-UHFFFAOYSA-N -1 0 502.398 5.246 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000035967383 562045941 /nfs/dbraw/zinc/04/59/41/562045941.db2.gz VVRRKSVMSIMNKI-JJPXOROJSA-N -1 0 621.302 10.151 1 0 KKAFRM CCCc1nc(Cl)c(C(=O)OC)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000036238182 562051860 /nfs/dbraw/zinc/05/18/60/562051860.db2.gz XLCKUSNCRBAKDZ-UHFFFAOYSA-N -1 0 543.045 5.397 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)cc1)C(=O)CCCC2 ZINC000036238183 562051882 /nfs/dbraw/zinc/05/18/82/562051882.db2.gz BZKRFADHPWYAAS-UHFFFAOYSA-N -1 0 532.666 5.866 1 0 KKAFRM C[C@H](CCC[C@@H](SCCC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268361 562052438 /nfs/dbraw/zinc/05/24/38/562052438.db2.gz IGFYAVCRBQNWHN-PYXOCCPRSA-N -1 0 512.115 7.885 1 0 KKAFRM CC(C)(O)c1ccccc1CS[C@H](CCC(C)(C)CC(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268354 562052486 /nfs/dbraw/zinc/05/24/86/562052486.db2.gz JWDZZXBDARBACX-JGCGQSQUSA-N -1 0 590.229 9.156 1 0 KKAFRM CCNC(=O)c1ccccc1CC[C@@H](SC[C@H](CC)C(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268465 562052517 /nfs/dbraw/zinc/05/25/17/562052517.db2.gz XTIBDWYDLHORPE-WKRVVKTRSA-N -1 0 591.173 7.735 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1C(=O)N(C)C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268435 562052547 /nfs/dbraw/zinc/05/25/47/562052547.db2.gz HZJBQKBZJJGRBH-DFXYEROKSA-N -1 0 577.146 7.297 1 0 KKAFRM C[C@H](CS[C@H](CCc1ccccc1C(=O)N(C)CO)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268450 562052567 /nfs/dbraw/zinc/05/25/67/562052567.db2.gz PZVKOQTVIUEKOI-IIMAJNMQSA-N -1 0 593.145 6.617 1 0 KKAFRM CS(=O)(=O)Nc1ccccc1CC[C@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268538 562052706 /nfs/dbraw/zinc/05/27/06/562052706.db2.gz WASJKTLOOXVDAR-NDEPHWFRSA-N -1 0 585.147 6.721 1 0 KKAFRM CCCc1cc(C2=N[C@H]3OCCC[C@H]3S2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000037866878 562062315 /nfs/dbraw/zinc/06/23/15/562062315.db2.gz VIVBCFKGUVZCLT-GFNGZDJJSA-N -1 0 509.668 5.990 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(Cl)ccc3-c3cccnc3)cc1)n2C1CCCCC1 ZINC000036350413 562058094 /nfs/dbraw/zinc/05/80/94/562058094.db2.gz HQPJTGDPZVWHDP-UHFFFAOYSA-N -1 0 538.047 8.201 1 0 KKAFRM CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000036350421 562058103 /nfs/dbraw/zinc/05/81/03/562058103.db2.gz JLJLVMCBFYHKKP-UHFFFAOYSA-N -1 0 612.101 8.305 1 0 KKAFRM CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000036350430 562058195 /nfs/dbraw/zinc/05/81/95/562058195.db2.gz LAPUEQHNBGENHI-UHFFFAOYSA-N -1 0 626.128 8.647 1 0 KKAFRM O=C([O-])COc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000037866919 562062338 /nfs/dbraw/zinc/06/23/38/562062338.db2.gz KZFVFCHVBDNYPD-UHFFFAOYSA-N -1 0 546.463 8.101 1 0 KKAFRM O=C([O-])Cc1ccc(-c2noc(-c3ccccc3)c2COCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000037866935 562062380 /nfs/dbraw/zinc/06/23/80/562062380.db2.gz HLABUWNFXQNRKZ-UHFFFAOYSA-N -1 0 532.807 7.192 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387327 562060229 /nfs/dbraw/zinc/06/02/29/562060229.db2.gz DRUBLOOXMFUBEA-SVBPBHIXSA-N -1 0 510.055 6.660 3 0 KKAFRM CCOc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387322 562060230 /nfs/dbraw/zinc/06/02/30/562060230.db2.gz NMSRLBFOKHASIG-UIOOFZCWSA-N -1 0 512.027 5.935 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387352 562060240 /nfs/dbraw/zinc/06/02/40/562060240.db2.gz LFDXNVJNQYGDAU-ZEQRLZLVSA-N -1 0 502.419 6.190 3 0 KKAFRM CC(C)(C)c1cccc2[nH]c([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036748836 562061114 /nfs/dbraw/zinc/06/11/14/562061114.db2.gz WFKUERJADOZONT-LOYHVIPDSA-N -1 0 642.803 6.521 1 0 KKAFRM C[C@@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158072 562070036 /nfs/dbraw/zinc/07/00/36/562070036.db2.gz VXDOAROXLMDCAF-XZOQPEGZSA-N -1 0 629.247 8.975 1 0 KKAFRM Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)[O-])cs3)c2)c(C)c1 ZINC000038806393 562072437 /nfs/dbraw/zinc/07/24/37/562072437.db2.gz OAAKRDFPYNRCLP-DKARNCPTSA-N -1 0 522.692 5.368 1 0 KKAFRM Cc1oc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc(C[C@H](OCC2CC2)C(=O)[O-])c2sccc21 ZINC000040412686 562075489 /nfs/dbraw/zinc/07/54/89/562075489.db2.gz QATKKZLWBQDTPI-MHZLTWQESA-N -1 0 519.663 7.032 1 0 KKAFRM CCOc1cc(F)c(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847356 562080430 /nfs/dbraw/zinc/08/04/30/562080430.db2.gz KGCCMHIRXXLQQG-LSEQMJBVSA-N -1 0 507.646 6.276 1 0 KKAFRM O=C([O-])CCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000040859835 562080688 /nfs/dbraw/zinc/08/06/88/562080688.db2.gz XUJHWPHTWPTVGT-UHFFFAOYSA-N -1 0 507.394 5.885 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c2c1cccc2Oc1ccc2ccccc2c1 ZINC000040861860 562080816 /nfs/dbraw/zinc/08/08/16/562080816.db2.gz YRNMFFAATGUXJI-JQIJEIRASA-N -1 0 517.006 6.296 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2cc(C)c(-c3ccccc3)cc2OC)n1)C(=O)[O-] ZINC000040866920 562081568 /nfs/dbraw/zinc/08/15/68/562081568.db2.gz ORCISIWKCUVQKL-QFIPXVFZSA-N -1 0 500.064 7.373 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccccc2F)c2c1cccc2Oc1ccc2ccccc2c1 ZINC000040873655 562081778 /nfs/dbraw/zinc/08/17/78/562081778.db2.gz YGPBDLMBWYNQKC-JQIJEIRASA-N -1 0 500.551 5.781 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000040936316 562085232 /nfs/dbraw/zinc/08/52/32/562085232.db2.gz PJXICYNYHPSYNS-UHFFFAOYSA-N -1 0 528.696 5.759 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(OS(=O)(=O)[O-])ccc1O ZINC000042803072 562087968 /nfs/dbraw/zinc/08/79/68/562087968.db2.gz SALJZRCSOZEVES-LAAQXVIISA-N -1 0 598.890 10.715 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(F)c(Cl)c3)ccc2o1 ZINC000042807198 562090074 /nfs/dbraw/zinc/09/00/74/562090074.db2.gz HGJZMYAKOHKOKY-UHFFFAOYSA-N -1 0 569.976 7.275 1 0 KKAFRM COc1ccc(-c2cc(=O)c3c(O)cc([O-])c(-c4cc(-c5cc(=O)c6ccc(OC)cc6o5)ccc4OC)c3o2)cc1 ZINC000070450948 560049048 /nfs/dbraw/zinc/04/90/48/560049048.db2.gz YCPPJISCWDRBBD-UHFFFAOYSA-N -1 0 564.546 6.337 1 0 biogenic,in-vitro KKAFRM CCC1C=C(c2cccc(CCc3c(=O)c(OC)c([O-])c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C(CO)=N1 ZINC000103533245 560050995 /nfs/dbraw/zinc/05/09/95/560050995.db2.gz SKOOLDJIXUAFGT-UHFFFAOYSA-N -1 0 526.565 5.206 1 0 biogenic,in-vitro KKAFRM CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)CC(=O)[O-])CC[C@]5(C)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000095912237 560057305 /nfs/dbraw/zinc/05/73/05/560057305.db2.gz FLBONCYMCTVFPW-NMOHVFRFSA-N -1 0 528.774 7.165 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]45C)[C@@H]2CC[C@]1(O)O[C@H]3Cc1ccccc1 ZINC000085530762 560073397 /nfs/dbraw/zinc/07/33/97/560073397.db2.gz VYYBGGWZLATOIT-XRMWDTBESA-N -1 0 590.889 9.043 1 0 biogenic,in-vitro KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000085510904 560073931 /nfs/dbraw/zinc/07/39/31/560073931.db2.gz KCLIRHUTOPOHKJ-DMKBDCOSSA-N -1 0 552.796 7.930 1 0 biogenic,in-vitro KKAFRM CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H]5[C@](C)(O)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000085510909 560073940 /nfs/dbraw/zinc/07/39/40/560073940.db2.gz VNSKBPUANWSMPF-UEWGUDLYSA-N -1 0 556.828 7.801 1 0 biogenic,in-vitro KKAFRM CC(=O)O[C@@H]1[C@@H](C)[C@H](C)[C@@H]2C3=CC[C@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@@]6(O)CC[C@]54CO6)[C@]3(C)CC[C@H]2[C@@H]1C(=O)[O-] ZINC000085489369 560075500 /nfs/dbraw/zinc/07/55/00/560075500.db2.gz QQGFLPIOXHLRAK-MBOFVRGDSA-N -1 0 528.730 5.825 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)C12CCCCC2 ZINC000085489137 560075611 /nfs/dbraw/zinc/07/56/11/560075611.db2.gz NOMYDHDDXPGTGW-XRZZRTRJSA-N -1 0 584.841 9.257 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H](O)CC[C@@H]2C=C3 ZINC000085489148 560075612 /nfs/dbraw/zinc/07/56/12/560075612.db2.gz NSXGVHKTFSXWKX-BUUSJUIYSA-N -1 0 594.836 9.118 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)C1 ZINC000085489181 560075619 /nfs/dbraw/zinc/07/56/19/560075619.db2.gz ZVHSRIFUKCLZQC-NICZKGPBSA-N -1 0 516.722 7.597 1 0 biogenic,in-vitro KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000003979044 560192961 /nfs/dbraw/zinc/19/29/61/560192961.db2.gz YDHTWQABZAECEX-VTASMWQSSA-N -1 0 500.764 7.884 1 0 in-vitro KKAFRM COc1c([O-])cc2oc(-c3ccc(O)c(CCCCCC[C@H](C)COC(C)=O)c3)c(O)c(=O)c2c1OC ZINC000014645684 560223617 /nfs/dbraw/zinc/22/36/17/560223617.db2.gz PEZYILOZNWLRTK-INIZCTEOSA-N -1 0 514.571 5.286 1 0 biogenic,in-vitro KKAFRM O=C([O-])c1ccc(OC/C=C\Cn2c(=O)c3ccccc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043062364 562645210 /nfs/dbraw/zinc/64/52/10/562645210.db2.gz IJSPIOBCDOYRML-KTKRTIGZSA-N -1 0 518.569 5.134 1 0 KKAFRM COc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)cc(OC)c1/C=C/C(=O)[O-] ZINC000043103671 562645980 /nfs/dbraw/zinc/64/59/80/562645980.db2.gz KLGRZFDKJQHEFC-CCEZHUSRSA-N -1 0 622.722 6.304 1 0 KKAFRM O=C([O-])CC(=O)N1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043121017 562646158 /nfs/dbraw/zinc/64/61/58/562646158.db2.gz UXMQIWUACYVPGS-XYOKQWHBSA-N -1 0 536.031 6.421 1 0 KKAFRM O=C([O-])C[C@@H]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043123194 562646241 /nfs/dbraw/zinc/64/62/41/562646241.db2.gz NHGLOTPMMQNRGG-MKGTUJQCSA-N -1 0 507.033 7.641 1 0 KKAFRM Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c(=O)n1C ZINC000043171115 562646553 /nfs/dbraw/zinc/64/65/53/562646553.db2.gz IBAZQIKVHCLTHH-SFHVURJKSA-N -1 0 527.326 5.112 1 0 in-vitro KKAFRM CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000043200606 562646853 /nfs/dbraw/zinc/64/68/53/562646853.db2.gz FQNIFNHOEQFSHE-UHFFFAOYSA-N -1 0 527.046 5.085 1 0 in-vitro KKAFRM COc1cccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000043200302 562646863 /nfs/dbraw/zinc/64/68/63/562646863.db2.gz LLVFTRQDBJZWHC-SFHVURJKSA-N -1 0 536.968 6.229 1 0 KKAFRM CC(C)CCN1C[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000043205314 562647005 /nfs/dbraw/zinc/64/70/05/562647005.db2.gz TYDFJZCWCPHSNP-SACAOSOOSA-N -1 0 557.619 8.743 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NNc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043335306 562647911 /nfs/dbraw/zinc/64/79/11/562647911.db2.gz JWZUBZKPGHSMQK-KYIMJNNYSA-N -1 0 548.856 8.794 1 0 KKAFRM CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@](C)(CO)[C@H]1O ZINC000043409396 562648329 /nfs/dbraw/zinc/64/83/29/562648329.db2.gz YNWZQUOHFYSDGT-QWTMWTCGSA-N -1 0 530.746 5.604 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4ccccc4Cl)c3)C2)cc1OC1CCCC1 ZINC000043524196 562648924 /nfs/dbraw/zinc/64/89/24/562648924.db2.gz LTXYSUKJQIFLEB-FQEVSTJZSA-N -1 0 541.069 5.991 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-])[C@H]3[C@@H]1CC[C@@H]2O ZINC000043543839 562649450 /nfs/dbraw/zinc/64/94/50/562649450.db2.gz SALSEHUIHYTBRK-ZVXVYIDZSA-N -1 0 616.752 9.415 1 0 KKAFRM C[C@H](C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043543900 562649521 /nfs/dbraw/zinc/64/95/21/562649521.db2.gz KBOFEZJJDNYTIV-CEUJQXJMSA-N -1 0 546.749 5.047 1 0 KKAFRM [O-]c1c(Br)ccc(Br)c1Oc1cc(Br)cc(Br)c1O ZINC000044031622 562651550 /nfs/dbraw/zinc/65/15/50/562651550.db2.gz SFRUBLKYXLNPMS-UHFFFAOYSA-N -1 0 517.793 5.940 1 0 KKAFRM CCC(/C=C/[C@H]1CC(C)=CC(=O)O1)=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)[O-] ZINC000044032061 562651716 /nfs/dbraw/zinc/65/17/16/562651716.db2.gz ZGFNEMJADYKVMH-ZCVIAVCTSA-N -1 0 556.740 5.901 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000044053484 562652028 /nfs/dbraw/zinc/65/20/28/562652028.db2.gz WVYWNLXUHFXESO-MDHBUTGMSA-N -1 0 588.786 5.617 1 0 KKAFRM COc1cc2c3cc(C)c4c(c3[nH]c2c(-c2c3[nH]c5c(cc(C)c6c5C=CC(C)(C)O6)c3cc(OC)c2O)c1O)C=CC(C)(C)O4 ZINC000044247305 562652736 /nfs/dbraw/zinc/65/27/36/562652736.db2.gz DQRAEENKHHFBHV-UHFFFAOYSA-N -1 0 616.714 9.036 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](CC(C)C)OCc2ccccc2)c(C)c1 ZINC000044281344 562653083 /nfs/dbraw/zinc/65/30/83/562653083.db2.gz QJRLNLGIDHDESH-BHYZAODMSA-N -1 0 581.713 7.224 1 0 KKAFRM COc1ccc2[nH]cc([C@H](CC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c3ccc(C(F)(F)F)cc3)c2c1 ZINC000044281732 562653201 /nfs/dbraw/zinc/65/32/01/562653201.db2.gz WOMQQFFQGCEMRG-RNAHPLFWSA-N -1 0 605.613 6.360 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCOC(=O)CCC(=O)[O-])cc3)C[C@@]21C ZINC000044281775 562653268 /nfs/dbraw/zinc/65/32/68/562653268.db2.gz SIIIPWWSEADMPU-CTBBFHLNSA-N -1 0 573.730 5.575 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c7cc(Cl)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044305216 562653382 /nfs/dbraw/zinc/65/33/82/562653382.db2.gz UIRSEPOFNKXUGW-HIFHRDMOSA-N -1 0 564.254 9.657 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(O)C[C@]4(C)CC[C@@H]5[C@](C)(CC[C@H](OC(C)=O)[C@]5(C)C(=O)[O-])[C@H]4CC[C@H]23)C1(C)C ZINC000044308183 562654206 /nfs/dbraw/zinc/65/42/06/562654206.db2.gz PCUYHPFKNRRINO-OIYAOLCSSA-N -1 0 590.798 5.512 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000044351344 562654647 /nfs/dbraw/zinc/65/46/47/562654647.db2.gz QCMGXAOSRFIWAU-GBVPUKILSA-N -1 0 546.836 9.458 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1nc(-c2ccccc2)nc2ccc(I)cc21 ZINC000044358575 562655344 /nfs/dbraw/zinc/65/53/44/562655344.db2.gz KVYUWVONGGTVFA-QFIPXVFZSA-N -1 0 534.357 5.491 1 0 KKAFRM CCCOc1cc(F)c(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F ZINC000044359368 562655459 /nfs/dbraw/zinc/65/54/59/562655459.db2.gz XWDWDQGJOOSFCU-GRPJKQKISA-N -1 0 539.663 6.805 1 0 KKAFRM CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000044359820 562655525 /nfs/dbraw/zinc/65/55/25/562655525.db2.gz ZNFOIBTUIGURPF-HMURQNDASA-N -1 0 512.731 6.983 1 0 KKAFRM CC(C)c1cc(Oc2c(I)cc(OC[P@@](=O)([O-])O)cc2I)ccc1O ZINC000044361285 562655702 /nfs/dbraw/zinc/65/57/02/562655702.db2.gz RDLLRWXCZWZHEC-UHFFFAOYSA-N -1 0 590.088 5.031 1 0 KKAFRM [O-]c1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br ZINC000044388279 562656294 /nfs/dbraw/zinc/65/62/94/562656294.db2.gz LNZHBUPVHNJGJG-UHFFFAOYSA-N -1 0 580.690 6.997 1 0 in-vivo KKAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])nn1-c1ccnc2cc(Cl)ccc21 ZINC000044403946 562656397 /nfs/dbraw/zinc/65/63/97/562656397.db2.gz DCBULECHZANJGL-QHCPKHFHSA-N -1 0 557.006 5.184 1 0 KKAFRM COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)[O-])c3nc(-c4ccc5ccccc5c4)c[nH]3)c2c1 ZINC000044404390 562656441 /nfs/dbraw/zinc/65/64/41/562656441.db2.gz WOSBHMZOLQKCOL-NDEPHWFRSA-N -1 0 538.648 6.463 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cncc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404630 562656494 /nfs/dbraw/zinc/65/64/94/562656494.db2.gz CCOJMMHFLKMSGW-VOTSOKGWSA-N -1 0 543.834 8.268 1 0 KKAFRM CC(C)c1onc(CSc2nnnn2C)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044406544 562656936 /nfs/dbraw/zinc/65/69/36/562656936.db2.gz MGRUGMCSOGZDHZ-BQYQJAHWSA-N -1 0 526.018 5.715 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc(N(c3ccc(C(=O)[O-])cn3)S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21 ZINC000044418529 562657306 /nfs/dbraw/zinc/65/73/06/562657306.db2.gz SPPHMCFCJZXICI-UHFFFAOYSA-N -1 0 532.584 6.675 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000044460346 562657949 /nfs/dbraw/zinc/65/79/49/562657949.db2.gz GAGNYMUXGIUCTR-HKBQPEDESA-N -1 0 516.641 7.553 1 0 in-vitro KKAFRM O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccc4ccccc4c3)c2)c1 ZINC000045245694 562659748 /nfs/dbraw/zinc/65/97/48/562659748.db2.gz XSSIRHWZAUPXID-UHFFFAOYSA-N -1 0 501.539 5.390 1 0 KKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000045356983 562661909 /nfs/dbraw/zinc/66/19/09/562661909.db2.gz PUGHDSORZNLDBF-SANMLTNESA-N -1 0 513.556 6.819 1 0 KKAFRM O=c1[nH]c2cccc(Oc3cccc([N-]S(=O)(=O)c4cc(C(F)(F)F)cc(Cl)c4F)c3)c2[nH]1 ZINC000045368074 562662134 /nfs/dbraw/zinc/66/21/34/562662134.db2.gz LVPVUHBLQIKNFN-UHFFFAOYSA-N -1 0 501.845 5.261 1 0 KKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3Cl)ccc2CCC(=O)[O-])c1 ZINC000045367077 562662097 /nfs/dbraw/zinc/66/20/97/562662097.db2.gz MXQJLUASAXQHCM-MHZLTWQESA-N -1 0 508.058 7.070 1 0 KKAFRM CC[C@H](C(=O)Nc1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000045367996 562662151 /nfs/dbraw/zinc/66/21/51/562662151.db2.gz LZKKDOUXFIOQEM-NDEPHWFRSA-N -1 0 516.641 7.804 1 0 KKAFRM CCCCOc1ccc(-c2ccc(C)c(C(=O)[O-])c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049033389 562663419 /nfs/dbraw/zinc/66/34/19/562663419.db2.gz VHHPOJGXZXTKKK-UHFFFAOYSA-N -1 0 503.492 6.627 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049034019 562663471 /nfs/dbraw/zinc/66/34/71/562663471.db2.gz FAAGDPXYASKUIB-UHFFFAOYSA-N -1 0 511.983 6.190 1 0 KKAFRM C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c21)c1ccc(C(=O)[O-])cc1 ZINC000049046202 562663673 /nfs/dbraw/zinc/66/36/73/562663673.db2.gz HQCZRLVYPNLNQN-HNNXBMFYSA-N -1 0 516.903 6.431 1 0 KKAFRM COc1ccccc1OCc1ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c2cc(C)cc(C)c2)c1 ZINC000049072199 562664228 /nfs/dbraw/zinc/66/42/28/562664228.db2.gz QZNQZQBZJIZFSU-HHHXNRCGSA-N -1 0 503.639 6.425 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049650166 562667976 /nfs/dbraw/zinc/66/79/76/562667976.db2.gz CYZDIVSPGGJBHB-FDWPCWODSA-N -1 0 527.793 9.068 1 0 KKAFRM Cc1cn(Cc2ccc3c(c2)OCCO3)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049678107 562668411 /nfs/dbraw/zinc/66/84/11/562668411.db2.gz GCLVTPBATRELEE-HWKANZROSA-N -1 0 581.474 5.795 1 0 KKAFRM COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1OC ZINC000049694616 562669549 /nfs/dbraw/zinc/66/95/49/562669549.db2.gz TUWKXYAHIYRCAT-HHHXNRCGSA-N -1 0 533.631 5.351 1 0 KKAFRM CC(=O)n1ncc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]1(C)C2 ZINC000049708621 562671006 /nfs/dbraw/zinc/67/10/06/562671006.db2.gz UJQJVNWXOPWOGS-CEJXBKOESA-N -1 0 520.758 7.443 1 0 KKAFRM Cn1nc(NC(=O)c2ccc3ccccc3c2)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049723320 562673203 /nfs/dbraw/zinc/67/32/03/562673203.db2.gz WSQMCNNIUMXFGH-VAWYXSNFSA-N -1 0 585.494 5.865 1 0 KKAFRM CCCc1c(SC)c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049745990 562674204 /nfs/dbraw/zinc/67/42/04/562674204.db2.gz ZMGXUFQMCWERPK-MUUNZHRXSA-N -1 0 576.762 8.862 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(cc(CC(C)(C)C(=O)[O-])n2Cc2ccc(Cl)cc2)c1 ZINC000049756170 562674854 /nfs/dbraw/zinc/67/48/54/562674854.db2.gz MWWOHSWKLHEGSU-SANMLTNESA-N -1 0 531.052 6.353 1 0 KKAFRM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)C=Cc2ccc(Cl)cc2)ccc1O ZINC000049757272 562675804 /nfs/dbraw/zinc/67/58/04/562675804.db2.gz NIYHQUIWIATXSH-MTVXKIMJSA-N -1 0 647.032 5.280 1 0 KKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000049757475 562676039 /nfs/dbraw/zinc/67/60/39/562676039.db2.gz BCWGHIPBCVXSKW-AREMUKBSSA-N -1 0 531.546 6.958 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OC[C@@H]5Cc6ccccc6N5C(C)=O)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000049771594 562678227 /nfs/dbraw/zinc/67/82/27/562678227.db2.gz PBAGJSTZLCRKDP-HKBQPEDESA-N -1 0 691.894 8.661 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049775364 562679043 /nfs/dbraw/zinc/67/90/43/562679043.db2.gz LXXLIPWREZJZHZ-UHFFFAOYSA-N -1 0 583.506 7.745 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000049776317 562679381 /nfs/dbraw/zinc/67/93/81/562679381.db2.gz BOGDEHWGMCLICQ-UHFFFAOYSA-N -1 0 713.683 8.568 1 0 KKAFRM CCCCCc1ccc(CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000049777376 562679930 /nfs/dbraw/zinc/67/99/30/562679930.db2.gz BKXIOUQRGUCMGA-BOALQFNTSA-N -1 0 693.841 5.030 1 0 KKAFRM CN(C)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000049778232 562681057 /nfs/dbraw/zinc/68/10/57/562681057.db2.gz UOCAIYFOHCIBRJ-UHFFFAOYSA-N -1 0 644.193 8.056 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc4c(c3)OCCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049780196 562681454 /nfs/dbraw/zinc/68/14/54/562681454.db2.gz DUZRGWQOKNNOIN-UHFFFAOYSA-N -1 0 587.572 6.888 1 0 KKAFRM CC[C@H](C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049781373 562682981 /nfs/dbraw/zinc/68/29/81/562682981.db2.gz CGRGKUIDQSEVQL-RIRVNTBXSA-N -1 0 540.829 8.831 1 0 KKAFRM CC1(C)C[C@@H](NC(=O)c2ccccc2O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049783915 562683312 /nfs/dbraw/zinc/68/33/12/562683312.db2.gz SWTYJFXTOTYOGR-XMMPIXPASA-N -1 0 553.873 8.114 1 0 KKAFRM CO[C@@H]1CC2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n3[C@H]2c2cccc(F)c2)c2ccccc21 ZINC000049784401 562683601 /nfs/dbraw/zinc/68/36/01/562683601.db2.gz PPUYQISPVMXQHC-DPVKBBRZSA-N -1 0 578.621 5.561 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc4c(c3)C[C@H](C(=O)[O-])O4)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049785794 562684114 /nfs/dbraw/zinc/68/41/14/562684114.db2.gz MFCORXDLLLGYGU-JOCHJYFZSA-N -1 0 527.520 6.472 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccsc1)n2C1CCCCC1 ZINC000049793596 562685042 /nfs/dbraw/zinc/68/50/42/562685042.db2.gz ASLZCBIIUIAPEE-VWLOTQADSA-N -1 0 528.634 5.883 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049802254 562685596 /nfs/dbraw/zinc/68/55/96/562685596.db2.gz VTYAPRPONJCFAM-CSKARUKUSA-N -1 0 571.816 5.804 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049802655 562685879 /nfs/dbraw/zinc/68/58/79/562685879.db2.gz HXOBOMSWNSTKJY-UHFFFAOYSA-N -1 0 537.037 6.745 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccc(C(F)(F)F)n2)cc1 ZINC000049803511 562686115 /nfs/dbraw/zinc/68/61/15/562686115.db2.gz WIECBDQRUBNGNS-UHFFFAOYSA-N -1 0 543.633 6.092 1 0 KKAFRM CC(C)=CCc1c2[nH]c3c(c2cc2c1[C@@H](O)[C@H]1C2=CC(C)(C)OC1(C)C)C[C@@H]1CC[C@H]2[C@]4(C)C[C@@H](/C=C(\C)C(=O)[O-])O[C@@]4(O)CC[C@]2(C)[C@@]31C ZINC000049833482 562687836 /nfs/dbraw/zinc/68/78/36/562687836.db2.gz MCGZCRGDIAILMI-RPELRLKOSA-N -1 0 683.930 8.465 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@H]3CNS(C)(=O)=O)nc2-c2ccc(C)cc2F)c1 ZINC000049841100 562687990 /nfs/dbraw/zinc/68/79/90/562687990.db2.gz ZKGOXLWINFJJDF-HHHXNRCGSA-N -1 0 685.778 5.117 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)c(CN3CCC(C)(C)C3=O)c1)C(=O)CCCC2 ZINC000049853551 562688982 /nfs/dbraw/zinc/68/89/82/562688982.db2.gz MBQOXADHKNARRP-UHFFFAOYSA-N -1 0 657.837 6.624 1 0 KKAFRM Cc1cccc(NC(=O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C)c1 ZINC000049872366 562689978 /nfs/dbraw/zinc/68/99/78/562689978.db2.gz NFCPEMNXYCPHCR-CLJLJLNGSA-N -1 0 562.613 5.717 1 0 KKAFRM CC(C)c1cc2c(cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000049877388 562690128 /nfs/dbraw/zinc/69/01/28/562690128.db2.gz UYKPQHKNEPAGRC-XSBVVTFOSA-N -1 0 555.559 8.195 1 0 KKAFRM COCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)[O-])c(C)c1C ZINC000049881851 562691203 /nfs/dbraw/zinc/69/12/03/562691203.db2.gz QDWVNPSRUMXIOT-UHFFFAOYSA-N -1 0 536.568 6.541 1 0 KKAFRM CC(C)=CCC/C(C)=C/CN1c2cc(C(=O)c3ccccc3)ccc2Nc2c(C(=O)[O-])cc(C(=O)c3ccccc3)cc21 ZINC000049888716 562691415 /nfs/dbraw/zinc/69/14/15/562691415.db2.gz ZXEFSITWOFAFSF-NCELDCMTSA-N -1 0 570.689 8.735 1 0 in-vitro KKAFRM CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)[O-])[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000049888795 562691490 /nfs/dbraw/zinc/69/14/90/562691490.db2.gz YDKADZFQYAVBMO-NJOAKSKUSA-N -1 0 602.853 6.707 1 0 KKAFRM O=C([O-])CCc1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049888889 562691559 /nfs/dbraw/zinc/69/15/59/562691559.db2.gz PCLMGWKMKKTTQN-UHFFFAOYSA-N -1 0 707.292 8.233 1 0 KKAFRM CCOC(=O)c1ccccc1N[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000049902543 562693330 /nfs/dbraw/zinc/69/33/30/562693330.db2.gz GHASVYGEVWTTBC-HHHXNRCGSA-N -1 0 514.578 5.556 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)OC(C)C)C(=O)[O-])cc1 ZINC000049902666 562693374 /nfs/dbraw/zinc/69/33/74/562693374.db2.gz KLDMJDLANANFFR-MUUNZHRXSA-N -1 0 528.605 5.945 1 0 KKAFRM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000049918217 562694629 /nfs/dbraw/zinc/69/46/29/562694629.db2.gz KJERMCGZUOOLBP-GOTSBHOMSA-N -1 0 640.205 7.495 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4cc(Br)c(Cl)s4)c3)C2)cc1OC1CCCC1 ZINC000049938404 562695315 /nfs/dbraw/zinc/69/53/15/562695315.db2.gz DOQVEVUPASOJLQ-KRWDZBQOSA-N -1 0 625.994 6.815 1 0 KKAFRM Cc1c2ccc(NC(=O)COc3ccccc3-c3ccc(CC(C)C)c(F)c3F)cc2oc(=O)c1CC(=O)[O-] ZINC000049942610 562695558 /nfs/dbraw/zinc/69/55/58/562695558.db2.gz LJYMAAIUGBSWTF-UHFFFAOYSA-N -1 0 535.543 5.890 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4ccc(Cl)c(Cl)c4)c(F)s3)cc2Cl)CC1 ZINC000053230586 562696718 /nfs/dbraw/zinc/69/67/18/562696718.db2.gz AYIVQAJTTPDCGY-UHFFFAOYSA-N -1 0 529.808 5.858 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccc(OC(F)(F)F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053242646 562696741 /nfs/dbraw/zinc/69/67/41/562696741.db2.gz FOWMWHLIASMESH-QRVIBDJDSA-N -1 0 559.518 6.108 1 0 KKAFRM CCCC[C@H](Sc1nc(OCCc2ccc(C(F)(F)F)cc2)cc(OCCc2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000053276545 562697051 /nfs/dbraw/zinc/69/70/51/562697051.db2.gz KWJPWFIDIAXISF-QFIPXVFZSA-N -1 0 602.597 7.493 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3C(F)(F)F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053296535 562697389 /nfs/dbraw/zinc/69/73/89/562697389.db2.gz GMTKGXDQDXJXHU-KSEXSDGBSA-N -1 0 561.509 6.367 1 0 KKAFRM CCCC[C@H](Sc1nc(OCCCCc2ccccc2)cc(OCCCCc2ccccc2)n1)C(=O)[O-] ZINC000053297731 562697472 /nfs/dbraw/zinc/69/74/72/562697472.db2.gz WIHMGIAQEOABFS-SANMLTNESA-N -1 0 522.711 7.016 1 0 KKAFRM C[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000058541305 562698900 /nfs/dbraw/zinc/69/89/00/562698900.db2.gz FNARGUMACODUNI-OAQYLSRUSA-N -1 0 504.586 6.014 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)[O-])c2)c(C(F)(F)F)n1 ZINC000058563889 562699411 /nfs/dbraw/zinc/69/94/11/562699411.db2.gz QMDHQKPDJIDFEV-UHFFFAOYSA-N -1 0 594.417 8.099 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000058575511 562699644 /nfs/dbraw/zinc/69/96/44/562699644.db2.gz GKVFPAULNAWNJX-WIIGKZCBSA-N -1 0 648.499 5.405 1 0 KKAFRM COc1cc2c(c(O)c1C)C(=O)C[C@@H](c1ccc(OC)c(-c3c(=O)cc([O-])c4c(O)cc(-c5ccc(O)cc5)oc3-4)c1)O2 ZINC000058583009 562700047 /nfs/dbraw/zinc/70/00/47/562700047.db2.gz ALCMEGWPPBQUES-MHZLTWQESA-N -1 0 582.561 5.982 1 0 KKAFRM CCCCCCS[C@@H]1[C@@H](CCCCCC)N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(Br)cc2)[C@@H]1C(=O)[O-] ZINC000058583394 562700083 /nfs/dbraw/zinc/70/00/83/562700083.db2.gz MJRKHVMXRAMMBR-GIFPIDKJSA-N -1 0 624.707 8.225 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1C(F)(F)F ZINC000058583572 562700115 /nfs/dbraw/zinc/70/01/15/562700115.db2.gz ZPNLLELWSXAWRB-RBZQAINGSA-N -1 0 627.399 5.083 1 0 KKAFRM C[C@@H](c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F)N(C)c1ccc(C(=O)[O-])cc1 ZINC000058600013 562700842 /nfs/dbraw/zinc/70/08/42/562700842.db2.gz XECAIRKHDZJLEJ-HNNXBMFYSA-N -1 0 606.428 8.414 1 0 KKAFRM CC(C)C[C@H](C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000058668818 562701462 /nfs/dbraw/zinc/70/14/62/562701462.db2.gz ZGTPJERIIBYCFG-JMJMSVOMSA-N -1 0 632.698 5.108 1 0 KKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000059278005 562701934 /nfs/dbraw/zinc/70/19/34/562701934.db2.gz IJEDXYOYRFKMHV-HHHXNRCGSA-N -1 0 564.570 7.932 1 0 KKAFRM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@@H](C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC000059716205 562702175 /nfs/dbraw/zinc/70/21/75/562702175.db2.gz OYANQOAHFBUOSN-CYBMUJFWSA-N -1 0 535.405 5.265 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000059790730 562702305 /nfs/dbraw/zinc/70/23/05/562702305.db2.gz BBMULGJBVDDDNI-NFMVMAPYSA-N -1 0 590.798 5.842 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1 ZINC000060327838 562702749 /nfs/dbraw/zinc/70/27/49/562702749.db2.gz ZDDAKQIAOYLQLH-OAQYLSRUSA-N -1 0 601.021 7.229 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000060328561 562702839 /nfs/dbraw/zinc/70/28/39/562702839.db2.gz LSAXTXBFQFAVON-HXUWFJFHSA-N -1 0 619.467 8.002 1 0 KKAFRM CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1cc(Br)c([O-])c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064447439 562705401 /nfs/dbraw/zinc/70/54/01/562705401.db2.gz NQJNADGOWUASQB-IBGZPJMESA-N -1 0 597.388 6.322 1 0 KKAFRM CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1cc(Br)c([O-])c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064447442 562705423 /nfs/dbraw/zinc/70/54/23/562705423.db2.gz NQJNADGOWUASQB-LJQANCHMSA-N -1 0 597.388 6.322 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1OCCc1cc([C@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccccc1 ZINC000064499414 562706023 /nfs/dbraw/zinc/70/60/23/562706023.db2.gz ZCLLIILYTXNCDV-MHZLTWQESA-N -1 0 578.008 6.807 1 0 KKAFRM CC(C)(C)c1ccc([C@@](O)(CCN2CCOCC2)c2ccc(Cl)c(CCOc3ccc(-c4ccc(C(=O)[O-])cc4)cc3)c2)cc1 ZINC000064513158 562706350 /nfs/dbraw/zinc/70/63/50/562706350.db2.gz DKTLTMZXRUAZAB-LHEWISCISA-N -1 0 628.209 7.582 1 0 KKAFRM CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccccc2C(=O)[O-])c(=O)c2ccc(C)nc21 ZINC000064516397 562706547 /nfs/dbraw/zinc/70/65/47/562706547.db2.gz YLNWDEOKLVBJIC-DEOSSOPVSA-N -1 0 520.545 5.161 1 0 KKAFRM CC(C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncc(C(=O)[O-])cc1Cl)CC2 ZINC000064549802 562708137 /nfs/dbraw/zinc/70/81/37/562708137.db2.gz XUFDWFZCRYPISY-UHFFFAOYSA-N -1 0 505.928 5.714 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(Nc2nc(N3CCCCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064573753 562708712 /nfs/dbraw/zinc/70/87/12/562708712.db2.gz MTRRARFCGONWPC-UHFFFAOYSA-N -1 0 554.617 5.592 1 0 KKAFRM O=C([O-])CCc1cc(Cl)c(-c2nc3cc(C(=O)Nc4ccc5ccccc5n4)ccc3[nH]2)c(Cl)c1 ZINC000066066332 562709355 /nfs/dbraw/zinc/70/93/55/562709355.db2.gz WGJYLOIXFLBOHT-UHFFFAOYSA-N -1 0 505.361 6.354 1 0 KKAFRM CCOc1ccccc1[C@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000066074223 562709704 /nfs/dbraw/zinc/70/97/04/562709704.db2.gz YBWHECNUTBQGDX-NDEPHWFRSA-N -1 0 559.103 5.303 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)cn1 ZINC000066076717 562710167 /nfs/dbraw/zinc/71/01/67/562710167.db2.gz LGMOXBHLKIQFGI-DEOSSOPVSA-N -1 0 524.955 6.488 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@@H](O)c1ccccc1Cl ZINC000066078718 562710459 /nfs/dbraw/zinc/71/04/59/562710459.db2.gz ADXWTMRWKALNTF-SANMLTNESA-N -1 0 549.495 5.558 1 0 KKAFRM O=C([O-])[C@H](Cc1cn(-c2ccccc2)cn1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000066111499 562711821 /nfs/dbraw/zinc/71/18/21/562711821.db2.gz GUUMCKWSSSZKEZ-DEOSSOPVSA-N -1 0 597.886 5.457 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCCC(=O)Nc2cccc3cccnc32)nn1 ZINC000066112475 562712021 /nfs/dbraw/zinc/71/20/21/562712021.db2.gz VHSZXCZCCWOTGW-UHFFFAOYSA-N -1 0 533.544 5.729 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066123593 562712527 /nfs/dbraw/zinc/71/25/27/562712527.db2.gz XWMKYSSOEVSYKC-ZEQRLZLVSA-N -1 0 546.870 6.299 3 0 KKAFRM Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)[O-])[C@@H]1c1ccc(Br)cc1 ZINC000066122765 562712387 /nfs/dbraw/zinc/71/23/87/562712387.db2.gz XXPCFXOJJQWTEH-UPVQGACJSA-N -1 0 546.870 6.299 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc4c(c3)OCO4)CC=C(C(=O)[O-])[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000066136576 562713199 /nfs/dbraw/zinc/71/31/99/562713199.db2.gz ZSVXLRVMBCCSLY-LSYYVWMOSA-N -1 0 533.646 5.909 3 0 KKAFRM C[C@H](NC(=O)c1cc(C(F)(F)F)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)[O-])cc1 ZINC000066251609 562714520 /nfs/dbraw/zinc/71/45/20/562714520.db2.gz KUCXVWMJDTUHKY-HNNXBMFYSA-N -1 0 536.472 6.476 1 0 KKAFRM CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)[C@@H](O)C[C@@H]1OC(C)=O ZINC000070631572 562716451 /nfs/dbraw/zinc/71/64/51/562716451.db2.gz JHPUYVYFNUDTGJ-QJPZVTGISA-N -1 0 572.783 6.318 1 0 KKAFRM CCCCN(c1cccc(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071296842 562717647 /nfs/dbraw/zinc/71/76/47/562717647.db2.gz BDJSGWHOSXSQIT-NRFANRHFSA-N -1 0 530.086 6.780 1 0 KKAFRM CC(C)CCCCCCCCCCCCCCOCCO[P@](=O)([O-])CO[C@H](CO)Cn1cnc2c1ncnc2N ZINC000071317194 562718176 /nfs/dbraw/zinc/71/81/76/562718176.db2.gz FEIKTFOPIHNZJP-VWLOTQADSA-N -1 0 585.727 5.689 1 0 KKAFRM CCCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071329243 562718844 /nfs/dbraw/zinc/71/88/44/562718844.db2.gz JMUCTZKIFLBQIM-JOCHJYFZSA-N -1 0 544.113 7.170 1 0 KKAFRM O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc(OCc4ccc(F)cc4)c3)cc(=O)n21 ZINC000071330831 562719191 /nfs/dbraw/zinc/71/91/91/562719191.db2.gz XKQNQAGJUKXAFM-DEOSSOPVSA-N -1 0 555.549 6.574 1 0 KKAFRM COc1cccc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)n1 ZINC000071331145 562719276 /nfs/dbraw/zinc/71/92/76/562719276.db2.gz ZMMGWFLFUIYGKP-HMMYKYKNSA-N -1 0 594.712 6.542 1 0 KKAFRM Cc1c2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCCC3)ccc2sc1C(=O)[O-] ZINC000071332188 562719349 /nfs/dbraw/zinc/71/93/49/562719349.db2.gz OFPNBIADEYVADJ-UHFFFAOYSA-N -1 0 608.764 7.656 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cccc(N)n1 ZINC000071332011 562719365 /nfs/dbraw/zinc/71/93/65/562719365.db2.gz ANQZWWGQQGDWQR-XMHGGMMESA-N -1 0 579.701 6.115 1 0 KKAFRM CC[C@H](Oc1ccc(SCc2ccc(Cl)cc2)cc1)C(=O)c1nc(C)c(CCCC(=O)[O-])s1 ZINC000071334501 562719588 /nfs/dbraw/zinc/71/95/88/562719588.db2.gz VXBKKULJASNLIC-NRFANRHFSA-N -1 0 504.073 6.845 1 0 KKAFRM COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cn1 ZINC000071335004 562719662 /nfs/dbraw/zinc/71/96/62/562719662.db2.gz MLPYADLGFIIBOJ-XDHOZWIPSA-N -1 0 594.712 6.542 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000071416576 562720191 /nfs/dbraw/zinc/72/01/91/562720191.db2.gz JYLSBWYDSLMTEB-MDUMFEEVSA-N -1 0 544.577 6.333 1 0 KKAFRM O=C([O-])CN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071416538 562720206 /nfs/dbraw/zinc/72/02/06/562720206.db2.gz YSGIOKQJNISPCR-ZCYQVOJMSA-N -1 0 594.263 5.842 1 0 KKAFRM CCOC(=O)/C=C/c1ccc(Nc2nc3cc(OC)ccc3nc2Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000072107851 562721395 /nfs/dbraw/zinc/72/13/95/562721395.db2.gz FFNMEMPREVDESZ-GONBZBRSSA-N -1 0 510.550 5.800 1 0 KKAFRM CC1(C)c2c(ccc3ccccc23)[N+](CCCCS(=O)(=O)[O-])=C1/C=C/C=C/C=C/C=C1\N(CCCCC(=O)[O-])c2ccc3ccccc3c2C1(C)C ZINC000072116780 562723249 /nfs/dbraw/zinc/72/32/49/562723249.db2.gz CMOUSZCTXUINBP-UHFFFAOYSA-O -1 0 717.952 9.642 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000072118437 562723532 /nfs/dbraw/zinc/72/35/32/562723532.db2.gz XBDRHDBYNHJQTM-UHFFFAOYSA-N -1 0 554.640 5.131 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(Sc2cccc3sc(C(=O)[O-])cc32)cc1 ZINC000072125988 562725262 /nfs/dbraw/zinc/72/52/62/562725262.db2.gz VZCDJGUSVCYHHR-UHFFFAOYSA-N -1 0 570.519 9.415 1 0 KKAFRM CC(C)Nc1nc(NC(C)C)nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)n1 ZINC000072132791 562726839 /nfs/dbraw/zinc/72/68/39/562726839.db2.gz LRNJUMVTWWDVGZ-UHFFFAOYSA-N -1 0 660.648 5.197 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(COC(=O)CCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000072171952 562730587 /nfs/dbraw/zinc/73/05/87/562730587.db2.gz AARCRKKVNITPFZ-MUUNZHRXSA-N -1 0 510.590 5.088 1 0 KKAFRM CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc([N-]S(=O)(=O)c5c(F)cccc5F)c4)n3)cn2)CC1 ZINC000072176381 562731611 /nfs/dbraw/zinc/73/16/11/562731611.db2.gz HQNPPVKXVPZYRU-UHFFFAOYSA-N -1 0 690.802 6.277 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000072180978 562732595 /nfs/dbraw/zinc/73/25/95/562732595.db2.gz HWBMJMGWPHJILX-VYTBZZOSSA-N -1 0 538.402 6.690 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Br)cc1 ZINC000072181205 562732659 /nfs/dbraw/zinc/73/26/59/562732659.db2.gz YXNNODYJPHMGGQ-FZTGKGDASA-N -1 0 548.408 6.146 1 0 KKAFRM Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)cc(C)c1C(=O)Nc1cc(C2(C(=O)[O-])CC2)ccc1Cl ZINC000073196611 562735148 /nfs/dbraw/zinc/73/51/48/562735148.db2.gz GUWAOSSGBYSTNR-NRFANRHFSA-N -1 0 521.013 5.602 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(=O)n(Cc2ccc(Cl)c(O[C@H](C)C(=O)[O-])c2)c2ccc(OC(F)(F)F)cc21 ZINC000073200102 562736095 /nfs/dbraw/zinc/73/60/95/562736095.db2.gz OZWBJAYVUJIHRW-CYBMUJFWSA-N -1 0 577.899 5.394 1 0 KKAFRM CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000073223342 562736467 /nfs/dbraw/zinc/73/64/67/562736467.db2.gz MAPLMUQWPTXIID-HOVKTFPASA-N -1 0 526.802 8.441 1 0 KKAFRM O=C([O-])COc1cccc(CCCn2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2=O)c1 ZINC000073224012 562736571 /nfs/dbraw/zinc/73/65/71/562736571.db2.gz UIHMHRSBFNNAHK-UHFFFAOYSA-N -1 0 522.428 6.432 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)OC(C)(C)C)c(CCC(=O)[O-])c2)cc1 ZINC000073240826 562736941 /nfs/dbraw/zinc/73/69/41/562736941.db2.gz FRCNNGAVYZKCMM-UHFFFAOYSA-N -1 0 575.662 5.866 1 0 KKAFRM C=C(C(=O)C[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@H](C)CO ZINC000073280885 562737516 /nfs/dbraw/zinc/73/75/16/562737516.db2.gz RXLLRXGUFZUAPE-QEVGDSPASA-N -1 0 558.756 5.173 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3cccc(F)c3)ccc2c1 ZINC000073387125 562738540 /nfs/dbraw/zinc/73/85/40/562738540.db2.gz JDXALSHLHLISCC-WJOKGBTCSA-N -1 0 587.673 6.830 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6cc(C)ccc6n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137912 562739003 /nfs/dbraw/zinc/73/90/03/562739003.db2.gz JIIIXMIQTKYOKR-UHFFFAOYSA-N -1 0 673.879 9.740 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C(N)=O)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137909 562739016 /nfs/dbraw/zinc/73/90/16/562739016.db2.gz TVWOOCJJQDHNNI-UHFFFAOYSA-N -1 0 652.817 7.377 1 0 KKAFRM O=C([O-])c1nc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)oc1NC(=O)c1ccc(Cl)cc1 ZINC000082151672 562739964 /nfs/dbraw/zinc/73/99/64/562739964.db2.gz RYEILLXWRJBCLS-UHFFFAOYSA-N -1 0 517.752 6.831 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000082181741 562741895 /nfs/dbraw/zinc/74/18/95/562741895.db2.gz CGNJSLAZLYEAJR-HVLPSLGRSA-N -1 0 667.850 5.300 1 0 KKAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc([N-]S(=O)(=O)c5cccc6cccnc65)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082181708 562741900 /nfs/dbraw/zinc/74/19/00/562741900.db2.gz FHMGXZJRHWQZMG-APBKJPKESA-N -1 0 723.760 5.196 1 0 KKAFRM CC(C)(C)c1ccc(NC(=O)c2cc(I)cc(I)c2[O-])cc1 ZINC000084375206 562742881 /nfs/dbraw/zinc/74/28/81/562742881.db2.gz IRNVKEWJFGKYDL-UHFFFAOYSA-N -1 0 521.136 5.151 1 0 KKAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)[O-])c3ccc(Br)cc3)c2)c(OC)c1 ZINC000084602531 562744008 /nfs/dbraw/zinc/74/40/08/562744008.db2.gz FWLIUEWZQJQCJJ-TYBKAHOSSA-N -1 0 606.491 5.307 1 0 KKAFRM O=C([O-])Cc1cnc(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 ZINC000084603272 562744140 /nfs/dbraw/zinc/74/41/40/562744140.db2.gz YMPXGIZXNHACLP-UHFFFAOYSA-N -1 0 515.374 5.201 1 0 KKAFRM COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000084653136 562746777 /nfs/dbraw/zinc/74/67/77/562746777.db2.gz HWXYKPNBPFTGOD-UHFFFAOYSA-N -1 0 505.596 5.070 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1c(F)cccc1F)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084653921 562747073 /nfs/dbraw/zinc/74/70/73/562747073.db2.gz HGUFSFULYKABEO-DEOSSOPVSA-N -1 0 579.612 8.263 1 0 KKAFRM O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(COc3cccc(Oc4ccccc4)c3)cc(=O)n21 ZINC000084670819 562748432 /nfs/dbraw/zinc/74/84/32/562748432.db2.gz WPOHXTRJACSIES-QHCPKHFHSA-N -1 0 539.531 6.637 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(NC(C)=O)c(Cl)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084687119 562748843 /nfs/dbraw/zinc/74/88/43/562748843.db2.gz CSKDOWWZNUPFPY-WUFINQPMSA-N -1 0 723.628 5.893 1 0 KKAFRM COc1cc(Nc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 ZINC000084687336 562748909 /nfs/dbraw/zinc/74/89/09/562748909.db2.gz MAZFWHIXGLUTGM-UHFFFAOYSA-N -1 0 508.547 5.720 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3ccccc3s2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084690169 562749523 /nfs/dbraw/zinc/74/95/23/562749523.db2.gz WWHNQKFQSNLMJV-RRPNLBNLSA-N -1 0 653.775 5.842 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3ncccn3)cc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084690586 562749640 /nfs/dbraw/zinc/74/96/40/562749640.db2.gz WPKIJRWTLKEINB-XZWHSSHBSA-N -1 0 675.760 5.085 1 0 KKAFRM Cc1cc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)[O-])cs4)c3)oc2c(C)c1 ZINC000084709267 562750308 /nfs/dbraw/zinc/75/03/08/562750308.db2.gz BBHKUNBVRUJLON-KLJHTQCXSA-N -1 0 563.701 5.509 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](CCCCCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711152 562750612 /nfs/dbraw/zinc/75/06/12/562750612.db2.gz YNLWXOXNYOWCGU-PMERELPUSA-N -1 0 627.794 10.326 1 0 KKAFRM O=S(=O)([N-]c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc32)c1)c1ccc(Br)cc1OC(F)(F)F ZINC000084711500 562750674 /nfs/dbraw/zinc/75/06/74/562750674.db2.gz PBBRVIDXAVIVMM-UHFFFAOYSA-N -1 0 630.438 8.047 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1cc(F)ccc1F)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724827 562751217 /nfs/dbraw/zinc/75/12/17/562751217.db2.gz MFOHCQKSWDSUDO-DEOSSOPVSA-N -1 0 579.612 8.263 1 0 KKAFRM O=C([O-])[C@@H]1[C@@H](c2ccccc2)Sc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc43)cc(=O)n21 ZINC000084728974 562751519 /nfs/dbraw/zinc/75/15/19/562751519.db2.gz RQNQUJHGONHSMT-XZWHSSHBSA-N -1 0 549.604 6.449 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000084732909 562751841 /nfs/dbraw/zinc/75/18/41/562751841.db2.gz UZOOGOCMUARFDV-FPRYDEEZSA-N -1 0 575.681 5.361 1 0 KKAFRM C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c([C@H](O)C(=O)[O-])ccc1O ZINC000084740678 562752084 /nfs/dbraw/zinc/75/20/84/562752084.db2.gz NAKUKBFDSKFFRM-CYHDFKBTSA-N -1 0 592.861 8.337 1 0 KKAFRM C[C@]12CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CC[C@@H]3O[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]1Cc1c2c([C@@H](O)C(=O)[O-])ccc1O ZINC000084740681 562752111 /nfs/dbraw/zinc/75/21/11/562752111.db2.gz NAKUKBFDSKFFRM-CTMODHDASA-N -1 0 592.861 8.337 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(C)cc6)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000095536706 562754024 /nfs/dbraw/zinc/75/40/24/562754024.db2.gz DRQHEEXWOUGFAE-JYBRNLSSSA-N -1 0 774.779 6.405 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCC(=O)NCC(=O)NCCCCCCO[P@@](=O)([O-])Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000095538135 562754500 /nfs/dbraw/zinc/75/45/00/562754500.db2.gz NQWCXPWRQBJNQF-UHFFFAOYSA-N -1 0 778.287 7.076 1 0 KKAFRM O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2ccccc2)n1 ZINC000095538410 562754745 /nfs/dbraw/zinc/75/47/45/562754745.db2.gz BMSVOMCSEAERAT-YDAXCOIMSA-N -1 0 788.930 6.116 1 0 KKAFRM O=C([O-])[C@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)NC(=O)c1ccc2ccccc2n1 ZINC000095542104 562756516 /nfs/dbraw/zinc/75/65/16/562756516.db2.gz OENMYYFUHBEBHD-PCJOSXSGSA-N -1 0 765.789 6.082 1 0 KKAFRM O=C([O-])[C@@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)NC(=O)c1ccc2ccccc2n1 ZINC000095542106 562756529 /nfs/dbraw/zinc/75/65/29/562756529.db2.gz OENMYYFUHBEBHD-ZHDVZBKESA-N -1 0 765.789 6.082 1 0 KKAFRM C[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000095542227 562756557 /nfs/dbraw/zinc/75/65/57/562756557.db2.gz LESAGRXVMYHVQE-ZETCQYMHSA-N -1 0 775.884 5.866 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000095547797 562758881 /nfs/dbraw/zinc/75/88/81/562758881.db2.gz RWUXVUTVRJKNCY-WZDZUFSDSA-N -1 0 769.895 7.361 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H](OCc1ccccc1)c1ccccc1 ZINC000095553879 562761095 /nfs/dbraw/zinc/76/10/95/562761095.db2.gz OAQVXPDJWTUUIO-ZPGRZCPFSA-N -1 0 612.726 6.713 1 0 KKAFRM Cc1oc(-c2cccc(Br)c2)nc1CN(Cc1ccccc1)Cc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000095559471 562762776 /nfs/dbraw/zinc/76/27/76/562762776.db2.gz CTSTWMFYSUHSAN-UHFFFAOYSA-N -1 0 549.465 6.857 1 0 KKAFRM CC(=O)O[C@@H](C/C=C(\C)C(=O)[O-])[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000095560708 562763161 /nfs/dbraw/zinc/76/31/61/562763161.db2.gz OCLVBEOPEKEKNM-CAXIOAJTSA-N -1 0 612.804 6.974 1 0 KKAFRM O=S(=O)([N-]c1ccccc1OC1CCN(c2nc3ccc(Br)cc3s2)CC1)c1ccccn1 ZINC000095563889 562764104 /nfs/dbraw/zinc/76/41/04/562764104.db2.gz RMDVJMZBLGSURX-UHFFFAOYSA-N -1 0 545.484 5.302 1 0 KKAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095570626 562768288 /nfs/dbraw/zinc/76/82/88/562768288.db2.gz OQAIXMVZSOTSGY-VAQOQGKESA-N -1 0 720.893 5.334 3 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4cccc(N)n4)c5C4CCCC4)CCC3)ccc21 ZINC000095571674 562769138 /nfs/dbraw/zinc/76/91/38/562769138.db2.gz ZHOVLHURCLPEMJ-UHFFFAOYSA-N -1 0 604.711 5.961 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C(\C)C(=O)[O-])cc5)CCC4)cc3n2C)cn1 ZINC000095573396 562769673 /nfs/dbraw/zinc/76/96/73/562769673.db2.gz JWAVMYXNGDKWOX-ZBJSNUHESA-N -1 0 606.723 6.686 1 0 KKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(CCc2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095573528 562769705 /nfs/dbraw/zinc/76/97/05/562769705.db2.gz JFQAUIOOCXHRRC-GDLZYMKVSA-N -1 0 551.048 9.692 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1 ZINC000095574863 562770100 /nfs/dbraw/zinc/77/01/00/562770100.db2.gz CCXJPCNMWZNEFC-OAQYLSRUSA-N -1 0 590.551 8.385 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccc2ncccc2c1 ZINC000095575008 562770128 /nfs/dbraw/zinc/77/01/28/562770128.db2.gz WQTGSPXCYCVFGZ-XDHOZWIPSA-N -1 0 626.757 7.830 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cn1 ZINC000095576437 562770627 /nfs/dbraw/zinc/77/06/27/562770627.db2.gz TUHQBDDCFFEKIR-LICLKQGHSA-N -1 0 611.142 7.330 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccc2ncccc2c1 ZINC000095577048 562770862 /nfs/dbraw/zinc/77/08/62/562770862.db2.gz JIQSLJVSALIRQR-XDHOZWIPSA-N -1 0 600.719 7.296 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cn1 ZINC000095577485 562770984 /nfs/dbraw/zinc/77/09/84/562770984.db2.gz FDLKKRFKZYEECK-WOJGMQOQSA-N -1 0 580.685 6.151 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1csc(-c2ccccc2)n1 ZINC000095577582 562771007 /nfs/dbraw/zinc/77/10/07/562771007.db2.gz AZLMZEVHFGKNHE-XMHGGMMESA-N -1 0 644.797 8.015 1 0 KKAFRM COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C(\C)C(=O)[O-])cc5)CCC4)cc3n2C)n1 ZINC000095577556 562771008 /nfs/dbraw/zinc/77/10/08/562771008.db2.gz MMPBKGZOZCSERT-LSDHQDQOSA-N -1 0 606.723 6.686 1 0 KKAFRM COc1ccc(COc2cccc(-c3ccc4ccn(Cc5cccc(C(=O)OCc6cccc(C(=O)[O-])c6)c5)c4c3)c2)cc1 ZINC000095578948 562771431 /nfs/dbraw/zinc/77/14/31/562771431.db2.gz NQPSWHZSMNCFNL-UHFFFAOYSA-N -1 0 597.667 7.999 1 0 KKAFRM Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)n1 ZINC000095579668 562771593 /nfs/dbraw/zinc/77/15/93/562771593.db2.gz WQAQTIVPHDRIDV-UHFFFAOYSA-N -1 0 603.723 6.687 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)cn1 ZINC000095579682 562771621 /nfs/dbraw/zinc/77/16/21/562771621.db2.gz GGIUIRULBXNARI-WOJGMQOQSA-N -1 0 606.723 6.686 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095580720 562771903 /nfs/dbraw/zinc/77/19/03/562771903.db2.gz ITOFPJRDSCGOSA-UZPHBQCWSA-N -1 0 562.795 6.716 1 0 KKAFRM Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)ccn1 ZINC000095580719 562771942 /nfs/dbraw/zinc/77/19/42/562771942.db2.gz LDTZXLNGNKBBHV-UHFFFAOYSA-N -1 0 545.927 5.587 1 0 KKAFRM Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)[N-]c3ccncn3)cc2Cl)ccn1 ZINC000095583360 562772862 /nfs/dbraw/zinc/77/28/62/562772862.db2.gz VPIVQUQXYUNGPS-UHFFFAOYSA-N -1 0 521.908 5.386 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)c(C(F)(F)F)c1 ZINC000095583462 562772895 /nfs/dbraw/zinc/77/28/95/562772895.db2.gz DTFGQOPVCFYNAB-UHFFFAOYSA-N -1 0 547.462 5.626 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)n2C(=O)c1ccc(Cl)cc1 ZINC000095585468 562773603 /nfs/dbraw/zinc/77/36/03/562773603.db2.gz FPSQWNJWNBAGAN-UHFFFAOYSA-N -1 0 551.473 5.453 1 0 KKAFRM CN(C)c1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2nncs2)cc1Cl ZINC000095585758 562773724 /nfs/dbraw/zinc/77/37/24/562773724.db2.gz BLKKLBLCBDZVRE-UHFFFAOYSA-N -1 0 529.406 5.033 1 0 KKAFRM Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)[N-]C(=O)CCc3ccccc3)cc2)cc1 ZINC000095590308 562775221 /nfs/dbraw/zinc/77/52/21/562775221.db2.gz POCGEBMGCNAVLM-UHFFFAOYSA-N -1 0 513.541 5.304 1 0 KKAFRM CCCC[P@](=O)([O-])C1=CC[C@H](NC(=O)CCCCCCCCCCNC(=O)c2ccccc2NC)C1 ZINC000095591931 562775807 /nfs/dbraw/zinc/77/58/07/562775807.db2.gz YTZPTLZTLYLCJC-QHCPKHFHSA-N -1 0 519.667 6.202 1 0 KKAFRM CC(C)[C@@H](OC(=O)C(C)(C)C)n1nnc(-c2ccccc2-c2ccc(Cc3c(C4CC4)nc4ccccc4c3C(=O)[O-])cc2)n1 ZINC000095592869 562776030 /nfs/dbraw/zinc/77/60/30/562776030.db2.gz WKFGUVQJUCZAPJ-MGBGTMOVSA-N -1 0 603.723 7.466 1 0 KKAFRM C[C@H]1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(COc5cccc(C(=O)[O-])c5)CC4)nc3)o2)C1 ZINC000095592857 562776066 /nfs/dbraw/zinc/77/60/66/562776066.db2.gz UGBQERWGDVPIIU-SFHVURJKSA-N -1 0 587.599 5.571 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 ZINC000095593277 562776211 /nfs/dbraw/zinc/77/62/11/562776211.db2.gz LDFRXJWXVDCNFQ-UHFFFAOYSA-N -1 0 614.309 7.123 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000095594386 562776436 /nfs/dbraw/zinc/77/64/36/562776436.db2.gz XLCOECIKOJKXCN-GIJQJNRQSA-N -1 0 565.472 5.904 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000095595743 562776805 /nfs/dbraw/zinc/77/68/05/562776805.db2.gz FGYRQQJFMPUQSP-FSJBWODESA-N -1 0 544.412 6.516 1 0 KKAFRM O=S(=O)([O-])c1ccc(NC(=S)N(CCc2ccccc2)C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 ZINC000095603235 562780474 /nfs/dbraw/zinc/78/04/74/562780474.db2.gz OJOCUCQSVCQTNW-DEOSSOPVSA-N -1 0 717.505 6.869 1 0 KKAFRM O=C([O-])[C@@H](CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000095608560 562783601 /nfs/dbraw/zinc/78/36/01/562783601.db2.gz ATICEAYKVFZDBK-JGCGQSQUSA-N -1 0 781.522 9.869 1 0 KKAFRM CSc1ccc(C(=O)Nc2cnc(-c3ccc(F)cc3)n(CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)c2=O)cc1 ZINC000095609856 562784044 /nfs/dbraw/zinc/78/40/44/562784044.db2.gz DXZJMPKNGAUGRQ-VWLOTQADSA-N -1 0 787.148 5.489 1 0 KKAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000095611456 562785052 /nfs/dbraw/zinc/78/50/52/562785052.db2.gz OQBVTQZFPQMUAR-JWNPYGNMSA-N -1 0 752.541 5.560 1 0 KKAFRM CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095612300 562785369 /nfs/dbraw/zinc/78/53/69/562785369.db2.gz PPGHNYGPPCGMKE-NPHZLWFCSA-N -1 0 792.886 5.118 1 0 KKAFRM CC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095612695 562785742 /nfs/dbraw/zinc/78/57/42/562785742.db2.gz QAIHVKONQJKIDS-YCVDXTBWSA-N -1 0 756.897 5.353 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000095613296 562786205 /nfs/dbraw/zinc/78/62/05/562786205.db2.gz WFCDAUHDFNBIAY-UHFFFAOYSA-N -1 0 734.101 9.080 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccc2ncccc2c1)c1ccncc1 ZINC000095613522 562786351 /nfs/dbraw/zinc/78/63/51/562786351.db2.gz XKRJBPIODAFNEX-BJSJXSMNSA-N -1 0 788.925 12.754 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2ccccc2Cl)cc1 ZINC000095614992 562786973 /nfs/dbraw/zinc/78/69/73/562786973.db2.gz OVXZHWNUULTUJV-UHFFFAOYSA-N -1 0 745.750 9.117 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](COCc1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1)C(=O)[O-] ZINC000095615613 562787370 /nfs/dbraw/zinc/78/73/70/562787370.db2.gz XHOYZEPHJFVHSU-SHNSUYAESA-N -1 0 808.929 6.643 1 0 KKAFRM O=C([O-])Cc1cc(I)c(Oc2cc(I)c(OC[C@H]3CO3)c(I)c2)c(I)c1 ZINC000095617363 562787985 /nfs/dbraw/zinc/78/79/85/562787985.db2.gz NLEOBUBCNMDZFK-SNVBAGLBSA-N -1 0 803.894 5.302 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CCc1ccc(F)cc1)c2=O ZINC000096169955 562790926 /nfs/dbraw/zinc/79/09/26/562790926.db2.gz YCBYCOVSHHUGFD-UHFFFAOYSA-N -1 0 568.630 5.228 1 0 KKAFRM CCC[C@H](Oc1cc(F)c(-n2cc(C(F)(F)F)cn2)c(F)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096170582 562791131 /nfs/dbraw/zinc/79/11/31/562791131.db2.gz HCKMWNXUSMZSQY-FQEVSTJZSA-N -1 0 511.447 5.294 1 0 KKAFRM Cc1cc(O[C@@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C2CCC2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000096170532 562791142 /nfs/dbraw/zinc/79/11/42/562791142.db2.gz CLTIPYUCTVVDMY-RUZDIDTESA-N -1 0 515.532 5.633 1 0 KKAFRM Cc1cc(O[C@@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C2CCCC2)cc(C)c1-n1cnc(C(F)(F)F)c1 ZINC000096170526 562791149 /nfs/dbraw/zinc/79/11/49/562791149.db2.gz TWXKVKKUNFLGNW-AREMUKBSSA-N -1 0 529.559 6.023 1 0 KKAFRM Cc1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])c1C ZINC000096171975 562791198 /nfs/dbraw/zinc/79/11/98/562791198.db2.gz VYRUAKMCXHNRJP-HVJCWNIASA-N -1 0 624.863 5.998 1 0 KKAFRM COc1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000096171988 562791219 /nfs/dbraw/zinc/79/12/19/562791219.db2.gz DSMKGEZAFOCZND-AMWNAABRSA-N -1 0 626.835 5.390 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(-c2ccc(OC(C)C)cc2)c2ncnn21 ZINC000096178227 562792513 /nfs/dbraw/zinc/79/25/13/562792513.db2.gz SUYUNYORSOKAGD-UHFFFAOYSA-N -1 0 580.620 5.360 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC[C@@H](O)C(F)(F)F)CC2)c2ccnn21 ZINC000096178381 562792662 /nfs/dbraw/zinc/79/26/62/562792662.db2.gz UEAWSAMQJZBDPC-BTOOTBGFSA-N -1 0 637.659 5.885 1 0 KKAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC[C@@H](C)O)CC2)c2ccnn21 ZINC000096178386 562792679 /nfs/dbraw/zinc/79/26/79/562792679.db2.gz HWJBXZFWZSDTJT-IKJWCUOUSA-N -1 0 597.716 5.321 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000096258545 562792901 /nfs/dbraw/zinc/79/29/01/562792901.db2.gz TUZWLNIKNHVTEJ-MUUNZHRXSA-N -1 0 737.631 6.964 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1 ZINC000096258563 562792925 /nfs/dbraw/zinc/79/29/25/562792925.db2.gz XQMXMNYUDCUVAS-NDEPHWFRSA-N -1 0 705.633 7.205 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269891 562793080 /nfs/dbraw/zinc/79/30/80/562793080.db2.gz JKYVMOIZUKBTDA-DFHRPNOPSA-N -1 0 552.645 5.247 1 0 KKAFRM COc1cc(-c2ccc(COc3ccc4c(c3F)[C@@]3(C[C@H]3C(=O)[O-])CCC4)cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000096270319 562793200 /nfs/dbraw/zinc/79/32/00/562793200.db2.gz WUMCAEVLFYSGKO-UTKFAANNSA-N -1 0 547.642 7.587 1 0 KKAFRM O=C([O-])/C=C\C(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283791 562794960 /nfs/dbraw/zinc/79/49/60/562794960.db2.gz ZQRQLCVEOGQBJA-OILJVOJPSA-N -1 0 576.834 5.930 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000096283819 562794987 /nfs/dbraw/zinc/79/49/87/562794987.db2.gz GYEBBZMDOQJNMV-HSZRJFAPSA-N -1 0 562.395 5.639 1 0 KKAFRM O=C([O-])/C=C\C(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000096283795 562794990 /nfs/dbraw/zinc/79/49/90/562794990.db2.gz YZCGJYOVAJDRRN-WHIOSMTNSA-N -1 0 576.834 5.930 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000096284654 562795229 /nfs/dbraw/zinc/79/52/29/562795229.db2.gz PFBLMVPTRHPROK-UHFFFAOYSA-N -1 0 712.762 8.029 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccc3ccccc3c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284698 562795258 /nfs/dbraw/zinc/79/52/58/562795258.db2.gz PCOJGMAZFRGKQT-UHFFFAOYSA-N -1 0 752.758 8.411 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(Cl)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096902075 562797239 /nfs/dbraw/zinc/79/72/39/562797239.db2.gz RKZSBCLDMUJPAG-PRFWLZAHSA-N -1 0 619.290 8.838 1 0 KKAFRM C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nc6ccccc6nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096902085 562797243 /nfs/dbraw/zinc/79/72/43/562797243.db2.gz RPSGBWFWIDTPOE-QMVMWXAESA-N -1 0 611.871 8.035 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c6ccccc6[nH]c5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096902077 562797245 /nfs/dbraw/zinc/79/72/45/562797245.db2.gz PUCZPHRXFJQKKK-ZTPIEIACSA-N -1 0 640.953 9.599 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096903657 562797990 /nfs/dbraw/zinc/79/79/90/562797990.db2.gz IFELXALKXPQZMA-YXKUZZPSSA-N -1 0 553.828 7.583 1 0 KKAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@@H](C(=O)[O-])c3ccc(Br)cc3)c2)c(OC)c1 ZINC000096908609 562799397 /nfs/dbraw/zinc/79/93/97/562799397.db2.gz BGSLNYHJOHKPDQ-ZEWVGQQJSA-N -1 0 607.479 5.134 1 0 KKAFRM COc1cc(/C(=C\c2cn(C(C)=O)c3ccc(OCc4ccccc4)cc23)C(=O)[O-])cc(OC)c1OC ZINC000096921476 562801412 /nfs/dbraw/zinc/80/14/12/562801412.db2.gz AMBWSWOXBKSZLG-WYMPLXKRSA-N -1 0 501.535 5.531 1 0 KKAFRM Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccncc2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000096921726 562801534 /nfs/dbraw/zinc/80/15/34/562801534.db2.gz NOFWVCGRUPOVAV-UHFFFAOYSA-N -1 0 515.542 5.578 1 0 KKAFRM CC(C)N(Cc1ccc(CCC(=O)[O-])cc1)C(=O)c1cccc(CN(C(=O)c2ccccc2)C(C)C)c1 ZINC000096929000 562803000 /nfs/dbraw/zinc/80/30/00/562803000.db2.gz LVSXVJGRZOHDFY-UHFFFAOYSA-N -1 0 500.639 5.805 1 0 KKAFRM C[C@@H](C=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000096929769 562803136 /nfs/dbraw/zinc/80/31/36/562803136.db2.gz PXVVZXBSCZHSDW-CGGJHGAESA-N -1 0 650.817 8.272 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)c1C ZINC000096934991 562803928 /nfs/dbraw/zinc/80/39/28/562803928.db2.gz IVDWUJIQWKLEHJ-UHFFFAOYSA-N -1 0 521.546 5.468 1 0 KKAFRM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)on1 ZINC000096934990 562803971 /nfs/dbraw/zinc/80/39/71/562803971.db2.gz DNJVIWGMEUVCEH-UHFFFAOYSA-N -1 0 507.519 5.160 1 0 KKAFRM O=S(=O)([N-]c1ccnn1-c1ccccc1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000096935004 562804021 /nfs/dbraw/zinc/80/40/21/562804021.db2.gz GRXZJHUQKQOXSO-UHFFFAOYSA-N -1 0 509.513 5.984 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935311 562804071 /nfs/dbraw/zinc/80/40/71/562804071.db2.gz RLIIGJWNLLPVGV-UHFFFAOYSA-N -1 0 531.656 6.683 1 0 KKAFRM O=S(=O)([N-]C1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000096937561 562804304 /nfs/dbraw/zinc/80/43/04/562804304.db2.gz ZKHONUIMXURESB-UHFFFAOYSA-N -1 0 571.412 5.197 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000098082784 562805320 /nfs/dbraw/zinc/80/53/20/562805320.db2.gz PYOXONALANISON-AREMUKBSSA-N -1 0 526.054 7.265 1 0 KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(N)cn3)c2)C(=O)O1 ZINC000100032095 562806199 /nfs/dbraw/zinc/80/61/99/562806199.db2.gz XSDWBXWFQFLGKW-GIGWZHCTSA-N -1 0 551.665 5.430 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(I)cc3)c1)C1CC1)CCCCCC2 ZINC000100764442 562807779 /nfs/dbraw/zinc/80/77/79/562807779.db2.gz KDCDFBRQEIKTIR-XMMPIXPASA-N -1 0 605.494 5.952 1 0 KKAFRM C[C@@](CCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000100884533 562808432 /nfs/dbraw/zinc/80/84/32/562808432.db2.gz DNPLHAZFJZIGBU-KXQOOQHDSA-N -1 0 567.685 8.717 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccccc3Cl)c1)C1CC1)CCCCCC2 ZINC000101166608 562809625 /nfs/dbraw/zinc/80/96/25/562809625.db2.gz LUTAJSYBJQSAQW-XMMPIXPASA-N -1 0 514.043 6.001 1 0 KKAFRM C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000101337526 562810342 /nfs/dbraw/zinc/81/03/42/562810342.db2.gz 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0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000148476402 562841399 /nfs/dbraw/zinc/84/13/99/562841399.db2.gz BPWXCNBTKOIBLL-UHFFFAOYSA-N -1 0 600.546 8.496 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000148534418 562841489 /nfs/dbraw/zinc/84/14/89/562841489.db2.gz GQTPFUGJTODNEB-UHFFFAOYSA-N -1 0 588.413 7.558 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000148692545 562841678 /nfs/dbraw/zinc/84/16/78/562841678.db2.gz HLEWGFZKQGFVQE-UHFFFAOYSA-N -1 0 553.968 6.904 1 0 KKAFRM O=C([O-])c1cc(N(Cc2cccc(-c3ccncc3)c2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000150523671 562843640 /nfs/dbraw/zinc/84/36/40/562843640.db2.gz QQJOPOZIJVZASH-UHFFFAOYSA-N -1 0 683.786 7.244 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000150537527 562844025 /nfs/dbraw/zinc/84/40/25/562844025.db2.gz XDGDPJLHUMZQBN-OMGNGIFRSA-N -1 0 884.505 8.402 1 0 KKAFRM CCc1c(I)c(C)c(Oc2c(I)c(C)c(CCC(=O)[O-])c(C)c2I)c(C)c1I ZINC000150547556 562844504 /nfs/dbraw/zinc/84/45/04/562844504.db2.gz NMXZQKWCJXMETI-UHFFFAOYSA-N -1 0 830.020 7.711 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccc(/N=c5\sc(-c6ccc(Cl)cc6)cn5Cc5ccccc5)cc4F)CC3)cc21 ZINC000150549247 562844529 /nfs/dbraw/zinc/84/45/29/562844529.db2.gz NAGUGEVKZHNKLW-CWAJCWQHSA-N -1 0 712.222 7.789 1 0 KKAFRM CCC[C@H](O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(C(C)C)n1)C(C)C)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OP(=O)([O-])[O-] ZINC000150552209 562844622 /nfs/dbraw/zinc/84/46/22/562844622.db2.gz WMRZUAHKVJXYAU-ULZMMGAESA-N -1 0 873.048 7.165 1 0 KKAFRM CCCC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000150593122 562846375 /nfs/dbraw/zinc/84/63/75/562846375.db2.gz RXKNBKSNBCXAOH-HNNXBMFYSA-N -1 0 846.963 5.515 1 0 KKAFRM Cc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1[C@H](C(=O)Nc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000150597148 562846769 /nfs/dbraw/zinc/84/67/69/562846769.db2.gz BGYVGBMNZKLZHM-DEOSSOPVSA-N -1 0 719.142 5.491 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc2cc1OCO2 ZINC000150597473 562846792 /nfs/dbraw/zinc/84/67/92/562846792.db2.gz BYGVUAUITHKJIJ-PHUOZXCHSA-N -1 0 778.164 6.562 1 0 KKAFRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1 ZINC000150603137 562847395 /nfs/dbraw/zinc/84/73/95/562847395.db2.gz VCFBPAOSTLMYIV-SANMLTNESA-N -1 0 687.545 6.318 1 0 investigational KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000150606304 562847918 /nfs/dbraw/zinc/84/79/18/562847918.db2.gz VHYIJGPWWRJGKM-ABJCFRDYSA-N -1 0 658.920 9.586 1 0 KKAFRM CC(C)CCN(Cc1cc(Br)c([O-])c(Br)c1)C(=O)CCC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000150606794 562847990 /nfs/dbraw/zinc/84/79/90/562847990.db2.gz XRFWGSPBZSJZIB-UHFFFAOYSA-N -1 0 664.439 6.111 1 0 KKAFRM COc1ccc(C[C@@H](NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(=O)[O-])cc1 ZINC000150610052 562848313 /nfs/dbraw/zinc/84/83/13/562848313.db2.gz OUBDUKXSQBAOIO-FPDSWTENSA-N -1 0 647.941 8.360 1 0 KKAFRM O=C([O-])c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCOc1ccc(-n2ncc3cncnc32)cc1 ZINC000163963408 562849496 /nfs/dbraw/zinc/84/94/96/562849496.db2.gz AUSCDMYCFSINPV-UHFFFAOYSA-N -1 0 674.768 6.016 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165404574 562850228 /nfs/dbraw/zinc/85/02/28/562850228.db2.gz LRHGBEXKXQBDNU-MRIFCXHNSA-N -1 0 793.021 5.219 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(C)(C)c1ccccc1)c2=O ZINC000167075515 562850604 /nfs/dbraw/zinc/85/06/04/562850604.db2.gz PYWFBYQCXCPQLZ-UHFFFAOYSA-N -1 0 578.694 5.824 1 0 KKAFRM CCc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2F)c(CC)c1CC(=O)[O-] ZINC000168942481 562851603 /nfs/dbraw/zinc/85/16/03/562851603.db2.gz CLHLHVWTKVWUNR-UHFFFAOYSA-N -1 0 511.903 5.747 1 0 KKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169298147 562852639 /nfs/dbraw/zinc/85/26/39/562852639.db2.gz VLCDTUQNYBBMQZ-FSFMYVCRSA-N -1 0 673.961 6.290 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1 ZINC000169303641 562853225 /nfs/dbraw/zinc/85/32/25/562853225.db2.gz PLWRPJJSHKYYDJ-UHFFFAOYSA-N -1 0 528.453 5.934 1 0 KKAFRM Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)[N-]N3C(=O)CS[C@H]3c3ccc(Cl)cc3)nc12 ZINC000169307145 562853765 /nfs/dbraw/zinc/85/37/65/562853765.db2.gz JACJQEPVGJNOEK-NDEPHWFRSA-N -1 0 541.036 5.363 1 0 KKAFRM C[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307590 562853881 /nfs/dbraw/zinc/85/38/81/562853881.db2.gz BDCZVHOYIUXHLE-APQCTARYSA-N -1 0 542.481 5.080 1 0 KKAFRM Cc1cc([C@@H]2C[C@@H]2[C@@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000169308160 562854026 /nfs/dbraw/zinc/85/40/26/562854026.db2.gz MAQRGNLQYZPEBN-GNKBHMEESA-N -1 0 542.550 7.146 1 0 KKAFRM COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308625 562854173 /nfs/dbraw/zinc/85/41/73/562854173.db2.gz DRUXFXDHTCHCCH-MGBGTMOVSA-N -1 0 779.792 6.335 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(CC(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309639 562854363 /nfs/dbraw/zinc/85/43/63/562854363.db2.gz HDEJTMINIOUGHU-PZAYWHPNSA-N -1 0 671.687 7.314 1 0 KKAFRM Cc1cc(C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ncc1C(=O)[O-] ZINC000169309643 562854453 /nfs/dbraw/zinc/85/44/53/562854453.db2.gz FGEFVHVLJFIHGW-WZZDHPINSA-N -1 0 671.687 7.693 1 0 KKAFRM Cc1nc(C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)[O-] ZINC000169309642 562854458 /nfs/dbraw/zinc/85/44/58/562854458.db2.gz IJGOXKRIKNRLNK-WLDYPGBFSA-N -1 0 671.687 7.693 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(CC(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169310011 562854553 /nfs/dbraw/zinc/85/45/53/562854553.db2.gz FRFAHFNWZGNPRP-HEBVPBOISA-N -1 0 677.716 7.375 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169310156 562854695 /nfs/dbraw/zinc/85/46/95/562854695.db2.gz ATBAISXGROGTAD-UHFFFAOYSA-N -1 0 557.613 5.674 1 0 KKAFRM C[C@@H](CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169310584 562854850 /nfs/dbraw/zinc/85/48/50/562854850.db2.gz XKKGFXATXJLNRX-HGMGAMSLSA-N -1 0 586.560 6.566 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169313229 562855596 /nfs/dbraw/zinc/85/55/96/562855596.db2.gz HYLCQUYHDANSLY-LKTHNQMQSA-N -1 0 656.695 8.720 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(CCC(=O)[O-])c(OCC(=O)OC(C)(C)C)c2)cc1 ZINC000169329535 562858548 /nfs/dbraw/zinc/85/85/48/562858548.db2.gz XXQNMFCVSMYJQD-UHFFFAOYSA-N -1 0 575.662 5.866 1 0 KKAFRM Cc1c(C)c2c(c(C)c1CCCCCCNC(=O)OCc1ccccc1)CC[C@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000169331811 562859055 /nfs/dbraw/zinc/85/90/55/562859055.db2.gz FVLRZXZIOCHORS-VSMIVIHISA-N -1 0 656.845 8.128 1 0 KKAFRM CC(C)(C)c1ccc(Nc2nc(-c3cccc(NC(=O)c4ccc(C(=O)[O-])cc4)c3)cn3ccnc23)cc1 ZINC000169343960 562861314 /nfs/dbraw/zinc/86/13/14/562861314.db2.gz RDRDZGMJQOJPCL-UHFFFAOYSA-N -1 0 505.578 6.388 1 0 KKAFRM COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccsc3)c2)cc1F ZINC000169344655 562861452 /nfs/dbraw/zinc/86/14/52/562861452.db2.gz DOTUMOAINSRLGC-UHFFFAOYSA-N -1 0 662.809 6.720 1 0 KKAFRM CC(C)(C)NC(=O)[C@H](c1c2ccc(Cl)cc2[nH]c1C(=O)[O-])N(C=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000169348043 562862123 /nfs/dbraw/zinc/86/21/23/562862123.db2.gz PESUUIPTWNTJKA-MHZLTWQESA-N -1 0 582.484 6.366 1 0 KKAFRM O=C([O-])c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(-c7ccccc7)cc6)c5c4)cc32)c1 ZINC000169348523 562862310 /nfs/dbraw/zinc/86/23/10/562862310.db2.gz VWTYGELZJXJVFQ-UHFFFAOYSA-N -1 0 532.643 8.725 1 0 KKAFRM O=C([O-])CCc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 ZINC000169349720 562862708 /nfs/dbraw/zinc/86/27/08/562862708.db2.gz FDNYQWLSNDFHBJ-UHFFFAOYSA-N -1 0 517.969 5.920 1 0 KKAFRM Cc1c(C(=O)Nc2c(F)cc(-c3cccc(F)c3)cc2F)nc2ccc(C(F)(F)F)cc2c1C(=O)[O-] ZINC000169350344 562862759 /nfs/dbraw/zinc/86/27/59/562862759.db2.gz KHNPWHWAWVGWNO-UHFFFAOYSA-N -1 0 504.386 6.597 1 0 KKAFRM Cc1c(C(=O)Nc2c(F)cc(-c3cccc(F)c3)cc2F)nc2ccc(OC(F)(F)F)cc2c1C(=O)[O-] ZINC000169350343 562862762 /nfs/dbraw/zinc/86/27/62/562862762.db2.gz VHGXXFIVXJSEOW-UHFFFAOYSA-N -1 0 520.385 6.477 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(Cl)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000169351516 562863004 /nfs/dbraw/zinc/86/30/04/562863004.db2.gz GXGNYEVIENUNBS-WHYMSRAASA-N -1 0 562.238 9.577 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000169352675 562863154 /nfs/dbraw/zinc/86/31/54/562863154.db2.gz OKMZMBPFWYQCOS-CUNXSJBXSA-N -1 0 543.641 5.662 1 0 KKAFRM O=C([N-]C1(C(=O)N[C@H]2CCCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000169697127 562866421 /nfs/dbraw/zinc/86/64/21/562866421.db2.gz VWEXBIUSTBETLM-SFHVURJKSA-N -1 0 551.339 6.009 1 0 KKAFRM O=C([O-])CCC(=O)OCC1(CO[C@]2(c3ccc(Cl)cc3)c3c(cccc3Cl)C(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000169699793 562867610 /nfs/dbraw/zinc/86/76/10/562867610.db2.gz PNBMTSWQBLBZDE-SSEXGKCCSA-N -1 0 647.349 6.818 1 0 KKAFRM CC(C)C[C@@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000169700285 562867685 /nfs/dbraw/zinc/86/76/85/562867685.db2.gz AMJNDQMIEUBXLA-HLADLETHSA-N -1 0 598.579 6.398 1 0 KKAFRM C[C@@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(-c3ccc(OCC(C)(C)C(=O)[O-])nc3)cc2O1 ZINC000169700517 562867706 /nfs/dbraw/zinc/86/77/06/562867706.db2.gz BKJJMXSAWCNXTB-OAHLLOKOSA-N -1 0 513.953 5.850 1 0 KKAFRM C[C@H](NC(=O)c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000169701304 562867996 /nfs/dbraw/zinc/86/79/96/562867996.db2.gz WHTVALHEMKRION-JTQLQIEISA-N -1 0 502.276 5.727 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2)cn1 ZINC000169702701 562868548 /nfs/dbraw/zinc/86/85/48/562868548.db2.gz XDDCQBAGJQXBKF-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000169702706 562868561 /nfs/dbraw/zinc/86/85/61/562868561.db2.gz BXKSABSAJBDBST-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(N[C@H](CCO)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1)c1csc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)n1 ZINC000169709957 562870501 /nfs/dbraw/zinc/87/05/01/562870501.db2.gz ZDNGWCADGNKGNI-XMMPIXPASA-N -1 0 903.046 6.935 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(Cl)cc3)C=C(c3ccccc3)N=4)o2)c1 ZINC000197749098 562872607 /nfs/dbraw/zinc/87/26/07/562872607.db2.gz QHFCBXCITJVEBH-OSYJHYBZSA-N -1 0 539.012 5.614 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000198620500 562872810 /nfs/dbraw/zinc/87/28/10/562872810.db2.gz WFYZRGARXVIIQQ-QHCPKHFHSA-N -1 0 542.679 8.040 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)c3)cc12 ZINC000198852379 562872867 /nfs/dbraw/zinc/87/28/67/562872867.db2.gz XTOLBZISFPRQDQ-OAQYLSRUSA-N -1 0 581.510 7.925 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)C3CCN(C(=O)NCc4ccccc4)CC3)cc12 ZINC000198907480 562872883 /nfs/dbraw/zinc/87/28/83/562872883.db2.gz YMSQEXJVUBHHLX-MHZLTWQESA-N -1 0 642.800 7.412 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3c(F)cncc3F)cc12 ZINC000199335945 562872919 /nfs/dbraw/zinc/87/29/19/562872919.db2.gz UTTYAFJRJPPQLF-LJQANCHMSA-N -1 0 539.582 6.836 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C(C)C)cc12 ZINC000199337014 562872967 /nfs/dbraw/zinc/87/29/67/562872967.db2.gz QJJCBPOUUSUGAD-BHVANESWSA-N -1 0 572.749 8.922 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)[O-])cc1 ZINC000202105832 562873581 /nfs/dbraw/zinc/87/35/81/562873581.db2.gz DQWSMISBALFRPC-IGKIAQTJSA-N -1 0 526.589 5.961 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC000202314381 562873674 /nfs/dbraw/zinc/87/36/74/562873674.db2.gz OECPSUKWTQOLCZ-RZRGDOCTSA-N -1 0 512.005 6.411 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3cccc(Cl)c3)cc2C1 ZINC000202318253 562873679 /nfs/dbraw/zinc/87/36/79/562873679.db2.gz LRSWGBILXHRLEY-WJOKGBTCSA-N -1 0 529.995 6.006 1 0 KKAFRM CCc1ccc(COc2ccc(C[C@H](NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)[O-])cc2)cc1 ZINC000202321388 562873685 /nfs/dbraw/zinc/87/36/85/562873685.db2.gz CCPSTOJWBYICMD-NDEPHWFRSA-N -1 0 554.046 6.222 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000202325020 562873716 /nfs/dbraw/zinc/87/37/16/562873716.db2.gz YQZVKGGJYBCUIZ-HYILXCTCSA-N -1 0 552.030 6.163 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202324667 562873734 /nfs/dbraw/zinc/87/37/34/562873734.db2.gz GIAKLBQGJQRBJJ-WJOKGBTCSA-N -1 0 555.055 6.690 1 0 KKAFRM CCCOc1ccc(-c2ccc3sc(C(=O)N[C@H](Cc4ccc(OCc5ccc(F)cc5)cc4)C(=O)[O-])cc3c2)cc1 ZINC000202322386 562873741 /nfs/dbraw/zinc/87/37/41/562873741.db2.gz NIBWYSBCXFMCPD-SSEXGKCCSA-N -1 0 583.681 7.501 1 0 KKAFRM Cc1c2ccccc2c(OC(C)C)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203760559 562874096 /nfs/dbraw/zinc/87/40/96/562874096.db2.gz ZJKYIIVINSDAJR-UHFFFAOYSA-N -1 0 574.577 6.323 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[C@@H](O)C2)nc1)C1CC1 ZINC000203987576 562874272 /nfs/dbraw/zinc/87/42/72/562874272.db2.gz NMDPMXWYBXKMAS-LJQANCHMSA-N -1 0 535.431 6.217 1 0 KKAFRM COc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])c(C(F)(F)F)c1 ZINC000204964744 562874627 /nfs/dbraw/zinc/87/46/27/562874627.db2.gz IJDZMPGJDUCZQP-UHFFFAOYSA-N -1 0 524.347 8.177 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000205036831 562874785 /nfs/dbraw/zinc/87/47/85/562874785.db2.gz PSCWCQJSKDJKSM-UHFFFAOYSA-N -1 0 553.467 6.746 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000205045441 562874880 /nfs/dbraw/zinc/87/48/80/562874880.db2.gz HZAOILCKBDCXGX-UHFFFAOYSA-N -1 0 577.464 8.218 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000205053459 562874892 /nfs/dbraw/zinc/87/48/92/562874892.db2.gz YLMYXHRYEGMGAK-FQEVSTJZSA-N -1 0 553.467 7.058 1 0 KKAFRM COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(-c3c(C)c(CC(=O)[O-])cc4ccc(F)cc43)cc2)cc1 ZINC000205729128 562875814 /nfs/dbraw/zinc/87/58/14/562875814.db2.gz WNNVMAKRKNCZIZ-UHFFFAOYSA-N -1 0 535.637 6.189 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(F)cc3)cc12 ZINC000205981926 562876057 /nfs/dbraw/zinc/87/60/57/562876057.db2.gz XJALFFPUKNKJSH-UHFFFAOYSA-N -1 0 506.577 6.741 1 0 KKAFRM Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000206002668 562876139 /nfs/dbraw/zinc/87/61/39/562876139.db2.gz SJCVXAOIEVAKQO-UNMCSNQZSA-N -1 0 547.095 7.426 1 0 KKAFRM CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000213420551 562877202 /nfs/dbraw/zinc/87/72/02/562877202.db2.gz IHPHOLWJEHZAOF-ABYGYWHVSA-N -1 0 528.693 5.711 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(S(N)(=O)=O)c2)cc1)C(=O)[O-] ZINC000217393522 562877569 /nfs/dbraw/zinc/87/75/69/562877569.db2.gz GWADRXLXMQPGIL-UHFFFAOYSA-N -1 0 620.731 6.180 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4c(F)cc(Br)cc4F)c3c2)nc1 ZINC000218107270 562877822 /nfs/dbraw/zinc/87/78/22/562877822.db2.gz FZAIKBUSHAFKHN-LEWJYISDSA-N -1 0 570.434 6.766 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2c(Oc3ccc(CO)cc3)cc(C(F)(F)F)cc2C(F)(F)F)cn1 ZINC000218494604 562877906 /nfs/dbraw/zinc/87/79/06/562877906.db2.gz AGFINBANYZVEFJ-UHFFFAOYSA-N -1 0 500.351 5.354 1 0 KKAFRM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N-]C(=O)C(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000219223132 562877987 /nfs/dbraw/zinc/87/79/87/562877987.db2.gz JGLCKAMQSKRYAP-UHFFFAOYSA-N -1 0 570.955 5.542 1 0 in-vitro KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000219397596 562878161 /nfs/dbraw/zinc/87/81/61/562878161.db2.gz SBLFULGYUXMXLD-FTJBHMTQSA-N -1 0 570.487 7.333 1 0 KKAFRM CCn1nc(Cn2c3ccc(OCc4ccc5ccccc5n4)cc3nc2[C@H]2[C@@H](C(=O)[O-])C2(C)C)c2ccccc21 ZINC000219414041 562878181 /nfs/dbraw/zinc/87/81/81/562878181.db2.gz UKRGDELTJKKCDG-IHLOFXLRSA-N -1 0 545.643 6.406 1 0 KKAFRM O=C([O-])[C@]1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)CCc2ccccc21 ZINC000219448641 562878233 /nfs/dbraw/zinc/87/82/33/562878233.db2.gz OPHHFWMKWXNYPM-DHUJRADRSA-N -1 0 618.531 7.486 1 0 KKAFRM Cc1cccc(Cn2c3ccc(OCc4ccc5ccccc5n4)cc3nc2[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000220523820 562878529 /nfs/dbraw/zinc/87/85/29/562878529.db2.gz DARLWWUGXRCGDN-SVBPBHIXSA-N -1 0 505.618 6.879 1 0 KKAFRM CN(C)S(=O)(=O)c1ccc(-n2nc(-c3ccc(C(=O)[O-])cc3)cc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000220547628 562878579 /nfs/dbraw/zinc/87/85/79/562878579.db2.gz NXKQRFWEULRAST-UHFFFAOYSA-N -1 0 559.732 6.750 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(-c3ccsc3)cc2)c1 ZINC000220764198 562878680 /nfs/dbraw/zinc/87/86/80/562878680.db2.gz WILZWITYAQZYKV-UHFFFAOYSA-N -1 0 637.455 6.159 1 0 KKAFRM CC[C@@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@H]1CC(=O)[O-] ZINC000221978284 562879466 /nfs/dbraw/zinc/87/94/66/562879466.db2.gz ODPBHDCZTYQTGE-OZXSUGGESA-N -1 0 528.546 7.008 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)cc(C)c1Cl ZINC000222692094 562879895 /nfs/dbraw/zinc/87/98/95/562879895.db2.gz PBCZQMXRKDXOJO-UHFFFAOYSA-N -1 0 608.116 5.686 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccccc2C(F)(F)F)cc(C)c1Cl ZINC000222696035 562879922 /nfs/dbraw/zinc/87/99/22/562879922.db2.gz HJKPOBRXJDMTHB-UHFFFAOYSA-N -1 0 670.537 6.612 1 0 KKAFRM CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)[O-])CC4)cc3)c2)CC1 ZINC000223229836 562880084 /nfs/dbraw/zinc/88/00/84/562880084.db2.gz UZPSRIVFHKJDOL-UHFFFAOYSA-N -1 0 590.692 7.712 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(Oc2cc(NC(=O)N3CC[C@](O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224460570 562880488 /nfs/dbraw/zinc/88/04/88/562880488.db2.gz DBQXXSHEVMMOHU-MGBGTMOVSA-N -1 0 576.665 7.322 1 0 KKAFRM COc1cc(C(F)(F)F)ccc1-c1nc(N(C)C)cc2cc(S(=O)(=O)[N-]c3nccs3)ccc21 ZINC000225056258 562880685 /nfs/dbraw/zinc/88/06/85/562880685.db2.gz IASLAWDFEQMHDJ-UHFFFAOYSA-N -1 0 508.547 5.253 1 0 KKAFRM Cn1ccnc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3ncc(F)s3)ccc21 ZINC000225118028 562880731 /nfs/dbraw/zinc/88/07/31/562880731.db2.gz YAIPLIJRZJIOBJ-UHFFFAOYSA-N -1 0 532.544 6.323 1 0 KKAFRM COc1cc(-c2cc(C)cc(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225096093 562880752 /nfs/dbraw/zinc/88/07/52/562880752.db2.gz RDSKWQBHFSAFPT-UHFFFAOYSA-N -1 0 517.010 6.130 1 0 KKAFRM Cn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3ncc(F)s3)ccc21 ZINC000225117763 562880756 /nfs/dbraw/zinc/88/07/56/562880756.db2.gz VNSVATQWDHZDBL-UHFFFAOYSA-N -1 0 532.544 6.323 1 0 KKAFRM Cc1ccc(COc2ccc3nc(CC4(C(=O)[O-])CCCC4)n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000226025209 562880836 /nfs/dbraw/zinc/88/08/36/562880836.db2.gz LZPCHADXQIRXJP-UHFFFAOYSA-N -1 0 534.454 6.317 1 0 KKAFRM Cn1ccc(COc2ccc3nc(CC4(C(=O)[O-])CCCC4)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000226040833 562880903 /nfs/dbraw/zinc/88/09/03/562880903.db2.gz JEHXTNNUGVXGIJ-UHFFFAOYSA-N -1 0 523.431 5.347 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1 ZINC000226100635 562880927 /nfs/dbraw/zinc/88/09/27/562880927.db2.gz FHTUAGGHAQBFFQ-KYJUHHDHSA-N -1 0 636.674 8.651 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCCC1 ZINC000226097538 562880949 /nfs/dbraw/zinc/88/09/49/562880949.db2.gz QQXWEUBYAGSEQW-UHFFFAOYSA-N -1 0 603.669 8.345 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C(=O)[O-] ZINC000226104494 562880959 /nfs/dbraw/zinc/88/09/59/562880959.db2.gz WQCBRRBFWZZBSA-UHFFFAOYSA-N -1 0 619.743 6.936 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000226101720 562880979 /nfs/dbraw/zinc/88/09/79/562880979.db2.gz OHGZKFRPJZIGAQ-RPWUZVMVSA-N -1 0 593.577 7.608 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226138474 562881031 /nfs/dbraw/zinc/88/10/31/562881031.db2.gz WKZXQDRHFKQQJK-UHFFFAOYSA-N -1 0 612.730 7.860 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CCCC6)sc5c(c([O-])c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299823675 562882964 /nfs/dbraw/zinc/88/29/64/562882964.db2.gz VDCWBKSADLPPOZ-ZFJMXIRVSA-N -1 0 807.963 6.258 1 0 KKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(NC(=O)CCCCC(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299824294 562883254 /nfs/dbraw/zinc/88/32/54/562883254.db2.gz GMJVUXNCKAWJRA-HLTYWJPGSA-N -1 0 555.844 7.519 1 0 KKAFRM CCNS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299825666 562883660 /nfs/dbraw/zinc/88/36/60/562883660.db2.gz FBRNOFXVDZQRIX-JTOATPROSA-N -1 0 567.535 5.250 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299826874 562884013 /nfs/dbraw/zinc/88/40/13/562884013.db2.gz IICZKFHODRUWAP-HLONXGDCSA-N -1 0 624.903 8.928 1 0 KKAFRM COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3ccc(C)s3)cc2)cc1 ZINC000299827008 562884046 /nfs/dbraw/zinc/88/40/46/562884046.db2.gz ONSNPGQHAHAYOD-HSZRJFAPSA-N -1 0 552.703 5.993 1 0 KKAFRM CCCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299827166 562884070 /nfs/dbraw/zinc/88/40/70/562884070.db2.gz YIIVNLGOCABZSY-QJYJECOXSA-N -1 0 824.965 5.686 1 0 KKAFRM O=C(/C=C/c1noc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(O)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000299827389 562884124 /nfs/dbraw/zinc/88/41/24/562884124.db2.gz GJOOIZHFPGHQPL-BQYQJAHWSA-N -1 0 586.859 6.448 1 0 KKAFRM CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)[O-])Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)ccc2O1 ZINC000299827457 562884154 /nfs/dbraw/zinc/88/41/54/562884154.db2.gz JQZSTSBDEDPSDH-UHFFFAOYSA-N -1 0 550.555 5.272 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)NC(C)(C)C)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299829119 562884722 /nfs/dbraw/zinc/88/47/22/562884722.db2.gz KONKKPPEUAHNDJ-IJKBFNKPSA-N -1 0 810.938 5.342 1 0 KKAFRM CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(cc2)Oc2cc(nc(-c3ccccc3)n2)/C=C\CCCS(=O)(=O)[N-]C1=O ZINC000299829799 562884999 /nfs/dbraw/zinc/88/49/99/562884999.db2.gz IASBKXYOWHSUFV-XRYOPWATSA-N -1 0 762.930 5.571 1 0 KKAFRM Cc1cc(C)c(NC(=O)Cc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000299830586 562885295 /nfs/dbraw/zinc/88/52/95/562885295.db2.gz OEARTYVEUSZCSI-HRFSGMKKSA-N -1 0 504.627 5.333 1 0 KKAFRM COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000299830628 562885299 /nfs/dbraw/zinc/88/52/99/562885299.db2.gz XOICQIWFDMPDFK-RUZDIDTESA-N -1 0 532.647 5.623 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(F)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299830899 562885391 /nfs/dbraw/zinc/88/53/91/562885391.db2.gz YRVLCOATSWPMSU-WHYMSRAASA-N -1 0 545.783 9.063 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc(F)cc3)C=C(c3ccccc3)N=4)o2)c1 ZINC000299834413 562886420 /nfs/dbraw/zinc/88/64/20/562886420.db2.gz JAFVLZFGBZDIEY-OSYJHYBZSA-N -1 0 522.557 5.100 1 0 KKAFRM CC(=O)c1sc(NC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c1N ZINC000299834879 562886600 /nfs/dbraw/zinc/88/66/00/562886600.db2.gz ZWSWALVIZDPHBB-UHFFFAOYSA-N -1 0 583.736 5.572 1 0 KKAFRM O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000299836248 562887066 /nfs/dbraw/zinc/88/70/66/562887066.db2.gz MZQFEUCJXMACCJ-OEIKVZQRSA-N -1 0 533.624 6.140 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)OCO[P@](=O)([O-])OC(C)(C)C ZINC000299837662 562887567 /nfs/dbraw/zinc/88/75/67/562887567.db2.gz PASAMDYMZXESIX-SAPNQHFASA-N -1 0 808.269 8.082 1 0 KKAFRM COc1cc(Oc2ccc([C@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCCCS(=O)(=O)[N-]C(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299837982 562887743 /nfs/dbraw/zinc/88/77/43/562887743.db2.gz PUGIRQCTBMBEPT-YYFXGUOYSA-N -1 0 814.962 6.828 1 0 KKAFRM CC(C)c1oc(=O)n(Cc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000299839277 562888132 /nfs/dbraw/zinc/88/81/32/562888132.db2.gz SBRKTZIAYHXAPK-MDZDMXLPSA-N -1 0 572.872 8.021 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N5CCCC5)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299843838 562889055 /nfs/dbraw/zinc/88/90/55/562889055.db2.gz OFFBKACOAWRZCJ-RILFGKQZSA-N -1 0 808.922 5.050 1 0 KKAFRM CCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(C)C(=O)N2 ZINC000299844318 562889288 /nfs/dbraw/zinc/88/92/88/562889288.db2.gz VFYNXKZVOUXHDX-IEAISHDHSA-N -1 0 810.938 5.296 1 0 KKAFRM CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CC[C@H]2[C@H](O1)[C@@H](C)[C@@H](C)[C@@H](OP(=O)([O-])[O-])[C@H]2C ZINC000299845292 562889445 /nfs/dbraw/zinc/88/94/45/562889445.db2.gz LTEDZGSPBQMXIC-XAXOCPQMSA-N -1 0 516.744 8.379 1 0 KKAFRM CC(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000299846019 562889608 /nfs/dbraw/zinc/88/96/08/562889608.db2.gz AFPZWQMZLUCPPD-SPODLQDHSA-N -1 0 542.845 8.766 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848672 562890304 /nfs/dbraw/zinc/89/03/04/562890304.db2.gz VBXNSOKXYNYHDV-SCKYBUBASA-N -1 0 711.941 6.729 1 0 KKAFRM Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)Nc4cc(-c5cccs5)ccc4N)C(=O)[O-])cc3)nc2c(=O)[nH]1 ZINC000299856657 562891992 /nfs/dbraw/zinc/89/19/92/562891992.db2.gz DBPLRKYFWUVELN-NDEPHWFRSA-N -1 0 768.901 5.079 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299859187 562892637 /nfs/dbraw/zinc/89/26/37/562892637.db2.gz FJPANYABHZXLHT-YKIGISQSSA-N -1 0 705.745 7.199 1 0 KKAFRM O=C([O-])c1cc(-c2ccc(CNC(=S)c3ccc(Br)cc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000299859361 562892677 /nfs/dbraw/zinc/89/26/77/562892677.db2.gz HUAYBSMODSRRKV-UHFFFAOYSA-N -1 0 561.288 6.772 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299859571 562892782 /nfs/dbraw/zinc/89/27/82/562892782.db2.gz IGSGCLGUUQKQHC-SAPNQHFASA-N -1 0 581.673 5.546 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299859767 562892785 /nfs/dbraw/zinc/89/27/85/562892785.db2.gz IJBRGODMQWSIBR-VFCFBJKWSA-N -1 0 560.612 9.189 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299863357 562893791 /nfs/dbraw/zinc/89/37/91/562893791.db2.gz LASZTPUNWIOFCD-OJLCMILUSA-N -1 0 677.691 6.418 1 0 KKAFRM Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)[O-])n2)c1 ZINC000299864547 562894156 /nfs/dbraw/zinc/89/41/56/562894156.db2.gz MKWCXRLAVPUERI-UHFFFAOYSA-N -1 0 516.497 5.397 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccc(O)cc5)n(-c5ccc(F)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299865200 562894349 /nfs/dbraw/zinc/89/43/49/562894349.db2.gz SRVLXIGNEWWQGW-UHFFFAOYSA-N -1 0 630.677 5.182 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccccc5O)n(-c5ccccc5)c4=S)CC3)c(F)cc2c1=O ZINC000299865295 562894351 /nfs/dbraw/zinc/89/43/51/562894351.db2.gz TWFPTWOIRXXQAP-UHFFFAOYSA-N -1 0 612.687 5.043 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ncc1/C=C/C(=O)[O-] ZINC000299866577 562894699 /nfs/dbraw/zinc/89/46/99/562894699.db2.gz PBCIYPQLHAIORG-ZRDIBKRKSA-N -1 0 643.144 6.129 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2Cc3ccccc3[C@@H](OCc3ccccc3)[C@@H]2CO)cc1 ZINC000299867824 562894924 /nfs/dbraw/zinc/89/49/24/562894924.db2.gz QNSIXTWDFIYWNE-XZWHSSHBSA-N -1 0 542.657 5.071 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299870104 562895424 /nfs/dbraw/zinc/89/54/24/562895424.db2.gz VVRVSBBMZLGNTF-OUKQBFOZSA-N -1 0 623.714 5.261 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2cncnc2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299870937 562895605 /nfs/dbraw/zinc/89/56/05/562895605.db2.gz XGBOVZKTRCJWDZ-NTCAYCPXSA-N -1 0 596.688 5.332 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21 ZINC000473083244 562896787 /nfs/dbraw/zinc/89/67/87/562896787.db2.gz BGEYEXXYPCZGEW-PMERELPUSA-N -1 0 629.679 8.300 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21 ZINC000473083304 562896794 /nfs/dbraw/zinc/89/67/94/562896794.db2.gz BLNBGANNOYYDSA-NDEPHWFRSA-N -1 0 649.735 8.752 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473088023 562897274 /nfs/dbraw/zinc/89/72/74/562897274.db2.gz NJHDLWUHAOCZFB-GOSISDBHSA-N -1 0 676.013 8.755 1 0 KKAFRM COc1ccc(C(F)(F)F)cc1-c1nn([C@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473091685 562897684 /nfs/dbraw/zinc/89/76/84/562897684.db2.gz ZHSLIIBGVKUFSZ-UMSFTDKQSA-N -1 0 629.679 8.156 1 0 KKAFRM Cc1cc(C)cc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(F)cc2)NC(=O)[C@H]3Cc2ccccc2)c1 ZINC000473104901 562898178 /nfs/dbraw/zinc/89/81/78/562898178.db2.gz PQNJKRMRYBHPBZ-VWLOTQADSA-N -1 0 516.594 6.314 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000473112071 562898637 /nfs/dbraw/zinc/89/86/37/562898637.db2.gz CTOXKQBQZFPDGF-LDVROUIZSA-N -1 0 595.733 5.982 1 0 KKAFRM COc1cccc([C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2ccc(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)C2CCCCC2)c1 ZINC000473114416 562898960 /nfs/dbraw/zinc/89/89/60/562898960.db2.gz NNWBKWYGTHGRIN-ITNZDWJRSA-N -1 0 687.830 7.138 1 0 KKAFRM COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)[N-]c1cccc(NCCNC(=O)c2cccc(Cl)c2)c1 ZINC000473134019 562900448 /nfs/dbraw/zinc/90/04/48/562900448.db2.gz AWAJOBNPSUMXDW-UHFFFAOYSA-N -1 0 607.132 5.360 1 0 KKAFRM O=C([O-])c1ccc(CN2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000473166047 562902985 /nfs/dbraw/zinc/90/29/85/562902985.db2.gz DDAZOPASBGNDEG-VUTHCHCSSA-N -1 0 518.569 5.969 1 0 KKAFRM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)N2CCN(C)CC2)CC1 ZINC000473197882 562903701 /nfs/dbraw/zinc/90/37/01/562903701.db2.gz LCTQGIDNSIUJKX-XGAFWQRZSA-N -1 0 555.506 5.283 1 0 KKAFRM CCn1c(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc2cc(Cl)ccc21 ZINC000473228776 562904268 /nfs/dbraw/zinc/90/42/68/562904268.db2.gz IXKDJXLFAVUVBU-UHFFFAOYSA-N -1 0 534.037 6.265 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(OCCCCCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653691248 562906716 /nfs/dbraw/zinc/90/67/16/562906716.db2.gz PDTFVEVNPHTRLA-HJIQQCSTSA-N -1 0 648.749 7.671 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cc4nc5ccccc5n4Cc4cccc(Cl)c4)CC3)cc21 ZINC000653692033 562906784 /nfs/dbraw/zinc/90/67/84/562906784.db2.gz MNQDAWOCJIJVIY-UHFFFAOYSA-N -1 0 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O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Nc3ccccc3)c(C(=O)Nc3ccccc3-c3ccccc3)c1)C2=O ZINC000653799555 562913287 /nfs/dbraw/zinc/91/32/87/562913287.db2.gz BNOMKAPZOIKGBQ-UHFFFAOYSA-N -1 0 553.574 6.848 1 0 KKAFRM O=C([O-])c1[nH]c2ccc(Cl)cc2c1/C=C/C(=O)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000653816991 562914001 /nfs/dbraw/zinc/91/40/01/562914001.db2.gz NNGUADDTNRXMDU-VFBBEJETSA-N -1 0 528.395 7.543 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H]3CCc4cc(C(=O)NCCC(=O)[O-])ccc43)ccc2c1 ZINC000653844297 562915052 /nfs/dbraw/zinc/91/50/52/562915052.db2.gz KGMQZDDEZWQXHM-PMERELPUSA-N -1 0 600.502 7.426 1 0 KKAFRM C[C@H](CC(=O)[O-])NC(=O)c1ccc([C@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000653847522 562915256 /nfs/dbraw/zinc/91/52/56/562915256.db2.gz PAYMGAZHYVJJLS-UXHICEINSA-N -1 0 578.540 8.024 1 0 KKAFRM Cc1ccccc1-c1cc(-c2cc(Cl)cc(Cl)c2)nn1[C@H]1CCc2cc(C(=O)NCCC(=O)[O-])ccc21 ZINC000653850035 562915444 /nfs/dbraw/zinc/91/54/44/562915444.db2.gz CCCCVLGHFKSGSZ-SANMLTNESA-N -1 0 534.443 6.572 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)N4CC[C@@H](C(=O)[O-])C4)cc3)ccc2c1 ZINC000653853972 562915712 /nfs/dbraw/zinc/91/57/12/562915712.db2.gz KOAIFXVYRHSSKS-RXFWQSSRSA-N -1 0 614.529 7.842 1 0 KKAFRM Cn1nc(C(=O)[O-])c2ccc([C@H]3C[C@](O)(c4ccc(OCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)cc4Cl)C3)cc21 ZINC000653861143 562915960 /nfs/dbraw/zinc/91/59/60/562915960.db2.gz KPBBOMNCCUQQCP-MEMSOADYSA-N -1 0 638.935 8.108 1 0 KKAFRM Cc1c2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)ccc2oc1C(=O)[O-] ZINC000653861806 562916022 /nfs/dbraw/zinc/91/60/22/562916022.db2.gz OSEWLLBYOWMWOA-UHFFFAOYSA-N -1 0 500.370 5.597 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)ccc1O ZINC000014114138 565103582 /nfs/dbraw/zinc/10/35/82/565103582.db2.gz HIFZHAYMNQEZKV-RDZPCEGMSA-N -1 0 648.881 8.185 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000084154118 565121911 /nfs/dbraw/zinc/12/19/11/565121911.db2.gz KWLOAKAXMOYBRK-KJMDNYGSSA-N -1 0 618.855 8.174 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1C/C=C\C[C@@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12C[C@@H]1C=c4ccccc4=C[C@@H]1C[C@@H]2CC3 ZINC000085489025 565124979 /nfs/dbraw/zinc/12/49/79/565124979.db2.gz FBZYGFRKGGZWCC-GGMPTFCYSA-N -1 0 680.973 9.794 1 0 biogenic,in-vitro KKAFRM Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1 ZINC000085511597 565135155 /nfs/dbraw/zinc/13/51/55/565135155.db2.gz AOYWETSWDSKOJZ-HAHISVAYSA-N -1 0 684.782 5.034 1 0 biogenic,in-vitro KKAFRM COc1cc(/C=C/C(=O)O[C@H]2C[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5[C@@H](C)[C@@H](C)CC[C@]5(C(=O)[O-])CC[C@]34C)C(C)(C)[C@@H]2O)ccc1O ZINC000100783657 574412449 /nfs/dbraw/zinc/41/24/49/574412449.db2.gz QVWRWMJXTWVRCW-JEZBTSBXSA-N -1 0 648.881 8.039 1 0 endogenous,in-man KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100783883 574412488 /nfs/dbraw/zinc/41/24/88/574412488.db2.gz SWEBUECVVVXRRV-FCXOBAHFSA-N -1 0 650.853 6.118 1 0 endogenous,in-man KKAFRM C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])[C@H](O)C(C)(C)[C@H]1CC3 ZINC000253529989 574412841 /nfs/dbraw/zinc/41/28/41/574412841.db2.gz VOAJMYUEWCGJID-BYMKRTHKSA-N -1 0 620.868 5.782 1 0 endogenous,in-man KKAFRM Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(Cc3ccccc3)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000042875604 581093052 /nfs/dbraw/zinc/09/30/52/581093052.db2.gz POJKJAGKSKBXAQ-UHFFFAOYSA-N -1 0 539.676 6.376 1 0 KKAFRM Cc1c(C)c(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OC[C@@H]2CCCO2)ccc1OCC(=O)[O-] ZINC000042807448 581093717 /nfs/dbraw/zinc/09/37/17/581093717.db2.gz SVFNGSMWVYNIBF-QHCPKHFHSA-N -1 0 562.606 7.074 1 0 KKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2cc(C(=O)c3ccoc3)ccc21 ZINC000042890958 581095085 /nfs/dbraw/zinc/09/50/85/581095085.db2.gz PJYNONFDCUUQAK-UHFFFAOYSA-N -1 0 539.628 7.282 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@@H]4CC[C@@]3(C)[C@H]12 ZINC000026743664 581095724 /nfs/dbraw/zinc/09/57/24/581095724.db2.gz FILHRDIXAYLUHH-WKZGGCQNSA-N -1 0 540.697 5.665 1 0 in-vivo KKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C/C=C(\C)CCC=C(C)C)c1C(=O)c1c([O-])cc(O)cc1O ZINC000013378016 291910167 /nfs/dbraw/zinc/91/01/67/291910167.db2.gz MGVGIZSDTSABCT-MSKUYSOUSA-N -1 0 534.693 7.916 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)C[C@H](O)[C@@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000095099329 291913783 /nfs/dbraw/zinc/91/37/83/291913783.db2.gz KWLOAKAXMOYBRK-RUZXHMDISA-N -1 0 618.855 8.174 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)[O-])CCc2ccccc2CC1 ZINC000085490788 291932758 /nfs/dbraw/zinc/93/27/58/291932758.db2.gz WVMLDAHDTXAWAA-GWPBQOKMSA-N -1 0 500.720 6.144 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)[O-])CCc2c(cccc2[C@H](C)CCO)CC1 ZINC000085490743 291932764 /nfs/dbraw/zinc/93/27/64/291932764.db2.gz NEQZDFXKXMZZGV-ITSKNKBNSA-N -1 0 572.827 6.630 1 0 biogenic,in-vitro KKAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095914369 291957748 /nfs/dbraw/zinc/95/77/48/291957748.db2.gz XEYLIOGNXRRLQE-JXRVGIDESA-N -1 0 500.720 6.388 1 0 biogenic,in-vitro KKAFRM C[C@H]1[C@]2(O)C[C@H](O)[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)[O-])C[C@H]5[C@]4(C)CC[C@]13C)[C@H](Cc1ccccc1)O2 ZINC000085530692 291987411 /nfs/dbraw/zinc/98/74/11/291987411.db2.gz LCRXKASLLITNBL-BQJJUQTRSA-N -1 0 608.860 6.596 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000003965920 551089155 /nfs/dbraw/zinc/08/91/55/551089155.db2.gz SPYNVKYBDKGKEH-AREMUKBSSA-N -1 0 643.590 6.067 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@H](c2nc(-c3ccc(Cl)cc3)cs2)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000014176741 551089677 /nfs/dbraw/zinc/08/96/77/551089677.db2.gz DRBYFBHVRFFBIU-QHCPKHFHSA-N -1 0 575.008 6.941 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c2ccc3c(c2)CCCC3)cc1 ZINC000049881711 551089788 /nfs/dbraw/zinc/08/97/88/551089788.db2.gz HHLCSKJKCZOHTH-UHFFFAOYSA-N -1 0 580.537 7.539 1 0 KKAFRM CC(C)c1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095117923 551089966 /nfs/dbraw/zinc/08/99/66/551089966.db2.gz HHKKVYXTKFAECF-NRFANRHFSA-N -1 0 600.546 8.614 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049889018 551090101 /nfs/dbraw/zinc/09/01/01/551090101.db2.gz NGUABMKOSJANPJ-ISKFKSNPSA-N -1 0 624.559 6.277 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(C[C@H](c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049889017 551090104 /nfs/dbraw/zinc/09/01/04/551090104.db2.gz NGUABMKOSJANPJ-LADGPHEKSA-N -1 0 624.559 6.277 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)ccc2c1 ZINC000001902781 561680128 /nfs/dbraw/zinc/68/01/28/561680128.db2.gz GDHVAFNGEXASMP-UHFFFAOYSA-N -1 0 539.583 6.136 1 0 KKAFRM Cc1ccc(C2=CC(C)(C)Oc3c(Br)cc(C(=O)Nc4ccc(C(=O)[O-])c(F)c4)cc32)cc1 ZINC000001895370 561680134 /nfs/dbraw/zinc/68/01/34/561680134.db2.gz RUDIZHZFFRLITR-UHFFFAOYSA-N -1 0 510.359 6.450 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12 ZINC000001903164 561680136 /nfs/dbraw/zinc/68/01/36/561680136.db2.gz RWSGESKPMHFVQG-UHFFFAOYSA-N -1 0 502.320 6.048 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2C1CCCCC1 ZINC000001494615 561676513 /nfs/dbraw/zinc/67/65/13/561676513.db2.gz HETCXAFAFYPYLO-MHZLTWQESA-N -1 0 522.605 5.821 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@H](C(=O)[O-])C3)ncn2)cc1C(F)(F)F ZINC000001494481 561676519 /nfs/dbraw/zinc/67/65/19/561676519.db2.gz MPHIYSGHFVGRGH-SFHVURJKSA-N -1 0 501.574 6.738 1 0 KKAFRM O=C([O-])c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccc(-c3ccccc3)cc1)[C@H]2O ZINC000001536487 561676863 /nfs/dbraw/zinc/67/68/63/561676863.db2.gz AIVPYNSKNQQADZ-RBISFHTESA-N -1 0 504.504 7.022 1 0 KKAFRM COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1C(F)(F)F ZINC000001909565 561680215 /nfs/dbraw/zinc/68/02/15/561680215.db2.gz SVJJYZFYKBOVBA-VQHVLOKHSA-N -1 0 533.490 6.220 1 0 KKAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)nc1 ZINC000001542083 561677016 /nfs/dbraw/zinc/67/70/16/561677016.db2.gz DTLMULCWQFHTAB-UHFFFAOYSA-N -1 0 565.721 5.520 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)SCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccnc2)c1-3 ZINC000001539150 561677118 /nfs/dbraw/zinc/67/71/18/561677118.db2.gz WRPLKEXVNOBMIN-UHFFFAOYSA-N -1 0 508.687 7.918 1 0 KKAFRM CCCCc1nn(-c2ccccc2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001554901 561677704 /nfs/dbraw/zinc/67/77/04/561677704.db2.gz APUHMFHZEQXENQ-UHFFFAOYSA-N -1 0 513.001 6.004 1 0 KKAFRM O=C([O-])CCC/C=C/c1c(Cc2cccnc2)ccc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000003828514 561683382 /nfs/dbraw/zinc/68/33/82/561683382.db2.gz BKPPBKJHSDOPPX-NCWHABTQSA-N -1 0 525.070 5.430 1 0 KKAFRM [O-]c1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br ZINC000003874544 561684243 /nfs/dbraw/zinc/68/42/43/561684243.db2.gz QEPYTQFGTBSZQY-UHFFFAOYSA-N -1 0 501.794 6.235 3 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[N-]S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000003915947 561684949 /nfs/dbraw/zinc/68/49/49/561684949.db2.gz BZNIKCMSWPBYNN-HKBQPEDESA-N -1 0 620.772 5.488 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3scc(Cl)c3n2)c1 ZINC000003916936 561685165 /nfs/dbraw/zinc/68/51/65/561685165.db2.gz TUENNGAJMWSHCB-LKXQCNMVSA-N -1 0 592.226 9.010 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2o1 ZINC000003925169 561686411 /nfs/dbraw/zinc/68/64/11/561686411.db2.gz RNMDGSNXLAWNET-UHFFFAOYSA-N -1 0 601.537 7.381 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2ccccc2C(=O)[O-])c3S1 ZINC000003945594 561689902 /nfs/dbraw/zinc/68/99/02/561689902.db2.gz GUALIRHXAJQRKZ-RUZDIDTESA-N -1 0 661.223 9.340 1 0 KKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)cc3Cl)o2)cs1 ZINC000003938338 561688861 /nfs/dbraw/zinc/68/88/61/561688861.db2.gz WOHKMPSQDBODSJ-XCVCLJGOSA-N -1 0 548.926 6.901 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2OC1(C)C ZINC000003939352 561689039 /nfs/dbraw/zinc/68/90/39/561689039.db2.gz JKFSIVODIHADRI-CUBQBAPOSA-N -1 0 637.076 6.801 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000003955526 561690806 /nfs/dbraw/zinc/69/08/06/561690806.db2.gz RDDGVDXVIDYSSC-BHIFYINESA-N -1 0 589.680 5.390 1 0 KKAFRM COc1cc(CC(=O)N[C@@H](CC(C)C)c2cc(CCC(=O)[O-])on2)ccc1NC(=O)Nc1ccccc1C ZINC000003964410 561691357 /nfs/dbraw/zinc/69/13/57/561691357.db2.gz USEDUTJSKDZBGX-QHCPKHFHSA-N -1 0 522.602 5.099 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2ncc(CCC(=O)[O-])s2)cc1 ZINC000003973099 561691665 /nfs/dbraw/zinc/69/16/65/561691665.db2.gz ZRTVFODWHCWDGU-QHCPKHFHSA-N -1 0 508.644 5.559 1 0 KKAFRM CSc1nc(N[C@@H](Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)[O-])c(C(=O)c2ccccc2)s1 ZINC000004137619 561693992 /nfs/dbraw/zinc/69/39/92/561693992.db2.gz SJCMFFSBQPFMEF-QHCPKHFHSA-N -1 0 588.711 5.860 1 0 KKAFRM CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)([O-])CCC)cc1)c1ccc(C)cc1 ZINC000011686418 561709876 /nfs/dbraw/zinc/70/98/76/561709876.db2.gz BFYMCZHLFKPUOB-VPUSJEBWSA-N -1 0 528.630 6.780 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCC2)C(=O)[O-])cc1 ZINC000012358130 561710274 /nfs/dbraw/zinc/71/02/74/561710274.db2.gz AZXMOBBALOXQIU-HKBQPEDESA-N -1 0 552.671 7.142 1 0 KKAFRM CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358275 561710426 /nfs/dbraw/zinc/71/04/26/561710426.db2.gz FNKVFLXYXZCKKE-LJAQVGFWSA-N -1 0 533.690 7.502 1 0 KKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CC)(C(=O)[O-])CC2 ZINC000012358556 561710554 /nfs/dbraw/zinc/71/05/54/561710554.db2.gz BGISIBTWPYOJAU-SSEXGKCCSA-N -1 0 508.586 6.977 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CC(C)(C)CC2=O)c1C ZINC000013492867 561716547 /nfs/dbraw/zinc/71/65/47/561716547.db2.gz XVGVBINHYILTRX-UHFFFAOYSA-N -1 0 520.611 5.173 1 0 KKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)[C@@H]2CC[C@H]1C2 ZINC000013521226 561717046 /nfs/dbraw/zinc/71/70/46/561717046.db2.gz QFNMNVRXAFCDRT-NFAWPUSQSA-N -1 0 521.601 6.267 1 0 KKAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000013525874 561717283 /nfs/dbraw/zinc/71/72/83/561717283.db2.gz AXIUEWMOHLWPSR-MZBJOSPHSA-N -1 0 520.050 6.058 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(C)cc2)cc1-c1ccccc1)C(=O)[O-] ZINC000013533184 561717770 /nfs/dbraw/zinc/71/77/70/561717770.db2.gz AJCJIEDZFDYFIJ-NDEPHWFRSA-N -1 0 528.678 5.455 1 0 KKAFRM CCCc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761647 561727925 /nfs/dbraw/zinc/72/79/25/561727925.db2.gz CLDRSJNLDPCRJL-HHHXNRCGSA-N -1 0 521.679 6.300 1 0 KKAFRM C/C(Cn1oc(=O)[n-]c1=O)=C(/C)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558136 561719129 /nfs/dbraw/zinc/71/91/29/561719129.db2.gz ILPASLFASFHBDC-CCEZHUSRSA-N -1 0 501.461 5.184 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccccc1)Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1 ZINC000013560092 561719720 /nfs/dbraw/zinc/71/97/20/561719720.db2.gz VEYDYKJZYPVPIS-JLHYYAGUSA-N -1 0 514.006 6.722 1 0 KKAFRM CC[C@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761692 561728046 /nfs/dbraw/zinc/72/80/46/561728046.db2.gz YXDSUTZGWOOLTI-OAQYLSRUSA-N -1 0 502.032 6.001 1 0 KKAFRM O=C([O-])c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1ccc3ccccc3c1)c1ccccc1CO2 ZINC000013726954 561725166 /nfs/dbraw/zinc/72/51/66/561725166.db2.gz HELIPPDLLRTGTL-AREMUKBSSA-N -1 0 505.617 5.232 1 0 KKAFRM O=C([O-])CCCCC[C@@H](c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733234 561725432 /nfs/dbraw/zinc/72/54/32/561725432.db2.gz RXLLZZVKOZGWDX-VWLOTQADSA-N -1 0 501.048 5.423 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2cc[nH]n2)c1OC ZINC000013740548 561726076 /nfs/dbraw/zinc/72/60/76/561726076.db2.gz AESKNIDTRUWFAG-AREMUKBSSA-N -1 0 508.615 5.616 1 0 KKAFRM CCC[C@@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742358 561726165 /nfs/dbraw/zinc/72/61/65/561726165.db2.gz KTVWYEKCXZWXEY-RBZNZPAOSA-N -1 0 510.634 7.316 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](c2ccccc2)C(C)C)c1 ZINC000013742362 561726227 /nfs/dbraw/zinc/72/62/27/561726227.db2.gz APYSYJJDMBAUHR-RWKHRHMPSA-N -1 0 510.634 7.172 1 0 KKAFRM CC(C)Oc1cc2c(cc1-c1ccccc1)CCc1c(-c3ccc(C(=O)[O-])cc3)cn(Cc3cccnc3)c1-2 ZINC000013742712 561726378 /nfs/dbraw/zinc/72/63/78/561726378.db2.gz DYEHZDGCVPAPGS-UHFFFAOYSA-N -1 0 514.625 7.516 1 0 KKAFRM CC(=O)c1cc(C(C)C)c(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000013747566 561727148 /nfs/dbraw/zinc/72/71/48/561727148.db2.gz UFDWKSJBNQXZKT-UHFFFAOYSA-N -1 0 503.661 6.795 1 0 KKAFRM CCCCOc1ccc([C@@H]2Oc3ccc(OCCCC)cc3C(c3ccc4c(c3)OCO4)=C2C(=O)[O-])cc1 ZINC000013473425 561714337 /nfs/dbraw/zinc/71/43/37/561714337.db2.gz XFVWMBBWQKJMOS-PMERELPUSA-N -1 0 516.590 6.793 1 0 KKAFRM COc1ccc(C2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OCc4ccccc4)cc32)cc1 ZINC000013473383 561714344 /nfs/dbraw/zinc/71/43/44/561714344.db2.gz CNCGFZQOGNWAMP-SSEXGKCCSA-N -1 0 508.526 6.023 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOc3ccccc3)co2)cc1)c1cccnc1 ZINC000013782519 561729727 /nfs/dbraw/zinc/72/97/27/561729727.db2.gz SXIFZKGCEZUKRA-KBKYJPHKSA-N -1 0 511.578 5.622 1 0 KKAFRM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C2CC2)c(=O)o1 ZINC000014943348 561741422 /nfs/dbraw/zinc/74/14/22/561741422.db2.gz VEXRXPAIHVICKW-YKGWIAGDSA-N -1 0 559.684 6.433 1 0 KKAFRM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000014943351 561741436 /nfs/dbraw/zinc/74/14/36/561741436.db2.gz SEUIMKBYBKTVTL-ONOMSOESSA-N -1 0 564.103 7.078 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccc(O)cc1Cl ZINC000013817702 561732230 /nfs/dbraw/zinc/73/22/30/561732230.db2.gz UQZSJSAYODPZDI-IBGZPJMESA-N -1 0 507.757 5.030 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013824670 561732790 /nfs/dbraw/zinc/73/27/90/561732790.db2.gz VQWSITRBHPOQTC-UXHICEINSA-N -1 0 511.348 5.417 1 0 KKAFRM Nc1cccc([S@](=O)Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000013833528 561733884 /nfs/dbraw/zinc/73/38/84/561733884.db2.gz LCWVJORRLCOLKR-JWSSMAORSA-N -1 0 524.658 6.171 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1 ZINC000013833944 561733984 /nfs/dbraw/zinc/73/39/84/561733984.db2.gz LBYCJGVDQHYTSA-QZTJIDSGSA-N -1 0 500.876 5.005 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC000013834063 561734083 /nfs/dbraw/zinc/73/40/83/561734083.db2.gz JNVJJRSXVJPSIS-PMERELPUSA-N -1 0 513.682 7.077 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000013834056 561734087 /nfs/dbraw/zinc/73/40/87/561734087.db2.gz VZHYPVXTOBIVMA-GDLZYMKVSA-N -1 0 534.100 7.422 1 0 KKAFRM Cc1sc2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c2c1-c1ccccc1 ZINC000013888861 561735476 /nfs/dbraw/zinc/73/54/76/561735476.db2.gz BVFPIOPNQGFZSQ-OKRGKCMKSA-N -1 0 519.638 6.801 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5c(C/C=C(\C)CCC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000014127893 561736828 /nfs/dbraw/zinc/73/68/28/561736828.db2.gz MLWNTYYGBNTWKM-KBWJKLITSA-N -1 0 616.663 6.400 1 0 KKAFRM CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(O[C@H](Cc3ccccc3)C(=O)[O-])c2Br)c1 ZINC000014128318 561736964 /nfs/dbraw/zinc/73/69/64/561736964.db2.gz YRONWOJBSAGSMV-SSEXGKCCSA-N -1 0 557.484 8.357 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000014191471 561737418 /nfs/dbraw/zinc/73/74/18/561737418.db2.gz GQPPIAAXSZCKMB-HKBQPEDESA-N -1 0 588.704 7.567 1 0 KKAFRM Cn1nc(C[C@H](CC(=O)[O-])c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCc1ccc2c(n1)NCCC2 ZINC000014191372 561737432 /nfs/dbraw/zinc/73/74/32/561737432.db2.gz XKXMEMPIHRKAQX-LJQANCHMSA-N -1 0 538.073 5.373 1 0 KKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2n1Cc1ccccc1 ZINC000014209712 561737680 /nfs/dbraw/zinc/73/76/80/561737680.db2.gz OOKBPJJTMGNJJP-UHFFFAOYSA-N -1 0 566.557 6.754 1 0 KKAFRM O=C([O-])CCS[C@H](CCc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000014233092 561738100 /nfs/dbraw/zinc/73/81/00/561738100.db2.gz RALHWZILPSWUOR-JGCGQSQUSA-N -1 0 603.184 7.975 1 0 KKAFRM C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)[O-])C(=O)C(C)(C)[C@@H]1CC3 ZINC000014299782 561739449 /nfs/dbraw/zinc/73/94/49/561739449.db2.gz FNHDSKHVYPYDAZ-ZIOSFSRCSA-N -1 0 618.852 5.990 1 0 KKAFRM CC(=O)c1c(O)c(C)c(O)c(Cc2c3c(c([O-])c4c2O[C@H](c2ccccc2)CC4=O)C=CC(C)(C)O3)c1O ZINC000014557544 561739689 /nfs/dbraw/zinc/73/96/89/561739689.db2.gz AKTBFFHJRRKAMX-NRFANRHFSA-N -1 0 516.546 5.502 1 0 KKAFRM CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000014946773 561744344 /nfs/dbraw/zinc/74/43/44/561744344.db2.gz FXKDMLDFKKLUEV-LJAQVGFWSA-N -1 0 582.694 5.635 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946764 561744370 /nfs/dbraw/zinc/74/43/70/561744370.db2.gz SCPPGKSTBURNFW-XIFFEERXSA-N -1 0 612.748 6.348 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccc(F)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955194 561747227 /nfs/dbraw/zinc/74/72/27/561747227.db2.gz YXMKDYBKIKKMKC-RBBKRZOGSA-N -1 0 521.599 5.439 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4cc(C(F)(F)F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955181 561747247 /nfs/dbraw/zinc/74/72/47/561747247.db2.gz IWFKKRTWIHPEOP-RBBKRZOGSA-N -1 0 571.606 6.318 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955173 561747307 /nfs/dbraw/zinc/74/73/07/561747307.db2.gz CQVSNNWJZWEETM-RBBKRZOGSA-N -1 0 503.609 5.300 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955267 561747386 /nfs/dbraw/zinc/74/73/86/561747386.db2.gz FHGPNSZZDVEKMB-UNMCSNQZSA-N -1 0 571.606 5.478 1 0 KKAFRM COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCC(=O)[O-])c1Cl ZINC000014963101 561748810 /nfs/dbraw/zinc/74/88/10/561748810.db2.gz FELBYTMOKIFCKJ-UHFFFAOYSA-N -1 0 614.895 5.233 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1Br ZINC000014963278 561748970 /nfs/dbraw/zinc/74/89/70/561748970.db2.gz OHOJPZUGJPTYSY-UHFFFAOYSA-N -1 0 576.447 5.996 1 0 KKAFRM CS(=O)(=O)c1ccc(-c2ccc3cc(C[C@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)[O-])ccc3n2)cc1 ZINC000014963511 561749030 /nfs/dbraw/zinc/74/90/30/561749030.db2.gz HWXJBOSLYOUUHN-QHCPKHFHSA-N -1 0 543.428 5.038 1 0 KKAFRM COc1cccc(OC)c1-c1ccc2cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2n1 ZINC000014963429 561749039 /nfs/dbraw/zinc/74/90/39/561749039.db2.gz RCULXICMWIXNIX-NRFANRHFSA-N -1 0 525.388 5.652 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccn2)c1C(=O)Nc1ccccc1 ZINC000014967824 561750222 /nfs/dbraw/zinc/75/02/22/561750222.db2.gz MTWLPOUAURCCNI-JWQCQUIFSA-N -1 0 559.638 5.709 1 0 KKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(OC(F)(F)F)cc4s3)c(F)c2)cc1 ZINC000014974431 561752103 /nfs/dbraw/zinc/75/21/03/561752103.db2.gz DMGWDGVBODDSLT-RTBURBONSA-N -1 0 544.526 7.428 1 0 KKAFRM CC(C)c1c(C(=O)N2CCCC[C@@H]2c2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974385 561752151 /nfs/dbraw/zinc/75/21/51/561752151.db2.gz DGPVRQDECQBJDH-TWJOJJKGSA-N -1 0 551.659 5.021 1 0 KKAFRM CCCc1cc(-c2nc(C(F)(F)F)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977127 561752303 /nfs/dbraw/zinc/75/23/03/561752303.db2.gz HEGJINSQHTYDEX-SFHVURJKSA-N -1 0 519.585 7.134 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)C2CCCCC2)c1Cl ZINC000026149027 561767397 /nfs/dbraw/zinc/76/73/97/561767397.db2.gz LUZPZMXRVHRPFI-UHFFFAOYSA-N -1 0 536.075 6.131 1 0 KKAFRM CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)[O-] ZINC000017653587 561757068 /nfs/dbraw/zinc/75/70/68/561757068.db2.gz RHYZIJMRTYNJHW-SVBPBHIXSA-N -1 0 543.635 6.292 1 0 KKAFRM CCCc1nc(CC)c(C=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000026152540 561767775 /nfs/dbraw/zinc/76/77/75/561767775.db2.gz RGFKKMLDMSOCFY-UHFFFAOYSA-N -1 0 515.635 5.045 1 0 KKAFRM CCCC/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000025969577 561763268 /nfs/dbraw/zinc/76/32/68/561763268.db2.gz LXBZMMHQVHWFSB-QGOAFFKASA-N -1 0 529.515 5.965 1 0 KKAFRM COc1ccc(Cn2c3ccc(OCc4ccccc4)cc3c(-c3ccc4c(c3)OCO4)c2C(=O)[O-])cc1 ZINC000026005689 561765540 /nfs/dbraw/zinc/76/55/40/561765540.db2.gz GTEPOVNRRKKMRR-UHFFFAOYSA-N -1 0 507.542 6.371 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3ccc(C)c(NC(=O)NC4CCCC4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026012614 561765989 /nfs/dbraw/zinc/76/59/89/561765989.db2.gz LNEUBXLHUNHVBG-NDEPHWFRSA-N -1 0 563.720 5.626 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3F)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026014732 561766144 /nfs/dbraw/zinc/76/61/44/561766144.db2.gz PUYMVXRERWLXDU-NDEPHWFRSA-N -1 0 547.648 6.714 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCC(F)(F)C(F)(F)F)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026013775 561766156 /nfs/dbraw/zinc/76/61/56/561766156.db2.gz MGGBYWULMJSAKX-QHCPKHFHSA-N -1 0 613.605 5.572 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCCSC(F)(F)F)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026013782 561766159 /nfs/dbraw/zinc/76/61/59/561766159.db2.gz QXEWNYJTSFDFKB-DEOSSOPVSA-N -1 0 609.692 5.628 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)c(CO)c1)C(=O)CCCC2 ZINC000026024580 561766779 /nfs/dbraw/zinc/76/67/79/561766779.db2.gz JBRKIZWDQQOPCK-UHFFFAOYSA-N -1 0 562.692 5.358 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000026163223 561768756 /nfs/dbraw/zinc/76/87/56/561768756.db2.gz JABCDTCHIXBREY-AREMUKBSSA-N -1 0 507.675 5.218 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(F)c1 ZINC000026163718 561768841 /nfs/dbraw/zinc/76/88/41/561768841.db2.gz ZORZSJOQGGWNQG-UHFFFAOYSA-N -1 0 559.660 5.254 1 0 KKAFRM CCc1nc(C)c(C(=O)NCC(F)(F)F)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026164024 561768907 /nfs/dbraw/zinc/76/89/07/561768907.db2.gz MCNRBAVCDMVWIT-UHFFFAOYSA-N -1 0 667.426 6.532 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(C)c2)[C@H](C(=O)[O-])C1 ZINC000026166203 561769152 /nfs/dbraw/zinc/76/91/52/561769152.db2.gz JDWYBLDTKFOTBH-MHZLTWQESA-N -1 0 522.690 6.126 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(COC(F)(F)F)cc2)cc1 ZINC000026172298 561770148 /nfs/dbraw/zinc/77/01/48/561770148.db2.gz QLDLIGJRIJWKFV-AREMUKBSSA-N -1 0 570.608 6.190 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccc(I)cc2)[C@H](C(=O)[O-])C1 ZINC000026173780 561770534 /nfs/dbraw/zinc/77/05/34/561770534.db2.gz USFBOLZTRQZABH-SANMLTNESA-N -1 0 634.559 6.423 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000026180930 561771711 /nfs/dbraw/zinc/77/17/11/561771711.db2.gz XOHMQLINSWIUKO-SSEXGKCCSA-N -1 0 555.719 6.144 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6c(Cl)cc(Cl)cc6Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026283356 561779439 /nfs/dbraw/zinc/77/94/39/561779439.db2.gz LSGZCDKKORCGKH-QYXCZJMFSA-N -1 0 650.175 11.237 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(C)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026394799 561786682 /nfs/dbraw/zinc/78/66/82/561786682.db2.gz YZKBLJHHYZDROJ-LOYHVIPDSA-N -1 0 562.691 5.882 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](CCCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026396548 561787155 /nfs/dbraw/zinc/78/71/55/561787155.db2.gz VPODUSBOCNZAFZ-QQWJIEJLSA-N -1 0 604.192 5.140 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(OC)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026397296 561787384 /nfs/dbraw/zinc/78/73/84/561787384.db2.gz JUCUDUBNTIXZOX-PQHLKRTFSA-N -1 0 578.690 5.582 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCCCCC1)C(=O)[O-] ZINC000026398827 561787745 /nfs/dbraw/zinc/78/77/45/561787745.db2.gz HCIDUUVZRHLCAT-TWJOJJKGSA-N -1 0 648.643 5.108 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1F)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026400365 561788194 /nfs/dbraw/zinc/78/81/94/561788194.db2.gz IQFZAFZQQFAEFD-XRKRLSELSA-N -1 0 566.654 5.713 1 0 KKAFRM COc1ccccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026489801 561793050 /nfs/dbraw/zinc/79/30/50/561793050.db2.gz MEIGIPYUHHBELM-RPWUZVMVSA-N -1 0 577.486 5.154 1 0 KKAFRM Cn1nnnc1-c1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCCC2)cc1 ZINC000026490031 561793184 /nfs/dbraw/zinc/79/31/84/561793184.db2.gz YMJIVIYXAAGIPH-SANMLTNESA-N -1 0 635.552 5.741 1 0 KKAFRM COc1ccccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026492524 561793667 /nfs/dbraw/zinc/79/36/67/561793667.db2.gz OKZOEBJPNOYKAF-YWEHKCAJSA-N -1 0 591.513 5.544 1 0 KKAFRM COc1ccc2c(C(=O)N(C)CC(=O)[O-])cc(Cc3ccc(Br)cc3F)cc2c1Br ZINC000026501386 561795614 /nfs/dbraw/zinc/79/56/14/561795614.db2.gz RHULDQDIKNHPJK-UHFFFAOYSA-N -1 0 539.195 5.260 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(Cc2ccccc2)CCCC1 ZINC000026502771 561795884 /nfs/dbraw/zinc/79/58/84/561795884.db2.gz MJAFJKKZYWUVCN-DEOSSOPVSA-N -1 0 539.459 6.161 1 0 KKAFRM COc1ccc(C(=O)NCCC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCC2)cc1 ZINC000026503149 561796016 /nfs/dbraw/zinc/79/60/16/561796016.db2.gz KDEPTADJTMXQTC-SANMLTNESA-N -1 0 626.537 5.747 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)N[C@@]1(C(=O)[O-])C[C@@H]1CCc1ccccc1)C(C)C)C1CCCCC1 ZINC000026505104 561796401 /nfs/dbraw/zinc/79/64/01/561796401.db2.gz XDWGZVDSYHJFCX-QZHJBYLBSA-N -1 0 738.926 5.144 1 0 KKAFRM O=C(Nc1ccc(Sc2nc3ccc(OC(F)(F)F)cc3s2)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000026507685 561796827 /nfs/dbraw/zinc/79/68/27/561796827.db2.gz JSCAPNOYPAUUIZ-UHFFFAOYSA-N -1 0 531.364 7.611 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)COCC(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026574857 561798924 /nfs/dbraw/zinc/79/89/24/561798924.db2.gz QMXKNMDFWDZTPM-UHFFFAOYSA-N -1 0 632.929 9.209 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccccc2C(F)(F)F)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026575511 561799281 /nfs/dbraw/zinc/79/92/81/561799281.db2.gz ZPIFAXSOEFMHAL-PVOYRIJTSA-N -1 0 636.588 10.454 1 0 KKAFRM O=C(CCCc1c[nH]c2ccccc12)NCCCCCCCCCCCCO[P@](=O)([O-])Oc1ccccc1Cl ZINC000026575721 561799386 /nfs/dbraw/zinc/79/93/86/561799386.db2.gz ZRTDLQVZSUVUHY-UHFFFAOYSA-N -1 0 577.102 8.357 1 0 KKAFRM CN(C)c1ccc(-c2nc(-c3ccc(/C=C/C(=O)[O-])cc3)n(CCc3ccccc3)c2-c2ccc(N(C)C)cc2)cc1 ZINC000026577784 561802322 /nfs/dbraw/zinc/80/23/22/561802322.db2.gz NNKUSKWXJAIMBI-FSJBWODESA-N -1 0 556.710 7.357 1 0 KKAFRM CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026656592 561809505 /nfs/dbraw/zinc/80/95/05/561809505.db2.gz YLBHFBIPYGOZPT-UHFFFAOYSA-N -1 0 547.446 6.658 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3Cl)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026651641 561808413 /nfs/dbraw/zinc/80/84/13/561808413.db2.gz WDFAWDSVCKYRQT-IGKIAQTJSA-N -1 0 595.932 5.669 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cc2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667711 561811574 /nfs/dbraw/zinc/81/15/74/561811574.db2.gz KYKKJLOEMLBQSE-QHCPKHFHSA-N -1 0 596.192 9.279 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1(=O)=O ZINC000026670305 561812222 /nfs/dbraw/zinc/81/22/22/561812222.db2.gz NLMNEVIHJVRDCQ-JOCHJYFZSA-N -1 0 629.178 7.356 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCC(C)(C)C(=O)[O-])c3S1 ZINC000026670301 561812224 /nfs/dbraw/zinc/81/22/24/561812224.db2.gz NVXSCEQQPSUNQJ-QHCPKHFHSA-N -1 0 611.207 9.064 1 0 KKAFRM Cc1cc(C)cc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c1 ZINC000026670558 561812273 /nfs/dbraw/zinc/81/22/73/561812273.db2.gz GQTAIGFWINAVHA-BHYZAODMSA-N -1 0 559.037 6.008 1 0 KKAFRM CC(C)=CCC[C@H](C)[C@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026674750 561813561 /nfs/dbraw/zinc/81/35/61/561813561.db2.gz LJZUIVDUKOZJED-YUDQIZAISA-N -1 0 598.677 5.935 1 0 KKAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000026716477 561814153 /nfs/dbraw/zinc/81/41/53/561814153.db2.gz OWGRILLFWDIDSB-UHFFFAOYSA-N -1 0 598.569 6.372 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCCCCCC(=O)[O-])CCc1ccccc1 ZINC000026721020 561815145 /nfs/dbraw/zinc/81/51/45/561815145.db2.gz LCZWBOYQSYOKKY-CTNHFFDISA-N -1 0 627.826 7.126 1 0 KKAFRM C[C@@](Cc1ccc2ccccc2c1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026734166 561817119 /nfs/dbraw/zinc/81/71/19/561817119.db2.gz BCUOSLLHFNEMGW-HMAOCNILSA-N -1 0 568.714 5.848 1 0 KKAFRM CC(C)=CCC[C@@H](C)[C@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026734203 561817124 /nfs/dbraw/zinc/81/71/24/561817124.db2.gz UZLGCGLUDIIKAU-NLGDKJDOSA-N -1 0 607.732 6.731 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000026742553 561818255 /nfs/dbraw/zinc/81/82/55/561818255.db2.gz WMJVTMBHMATMEG-HMIWSSEUSA-N -1 0 532.640 7.689 1 0 KKAFRM CC(C)c1cc(SC(C)(C)Sc2cc(-c3ccc(F)cc3)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c2)cc(-c2ccc(F)cc2)c1O ZINC000026745583 561818745 /nfs/dbraw/zinc/81/87/45/561818745.db2.gz VDPZSEASYIIOOX-FQLXRVMXSA-N -1 0 710.905 9.837 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CCC(C)C)CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000026745548 561818758 /nfs/dbraw/zinc/81/87/58/561818758.db2.gz MPMCKSNLFRPXSM-NDEPHWFRSA-N -1 0 558.679 5.388 1 0 KKAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCC[C@@H]2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000026817160 561820353 /nfs/dbraw/zinc/82/03/53/561820353.db2.gz HZGJNOIOQNCQTF-MAPGQBHESA-N -1 0 692.813 5.114 1 0 KKAFRM CCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)[C@H](Oc2nc(C)cc(OC)n2)C(=O)[O-])cc1 ZINC000026818677 561820659 /nfs/dbraw/zinc/82/06/59/561820659.db2.gz UTSWGARHIRATMS-JGCGQSQUSA-N -1 0 600.712 5.971 1 0 KKAFRM CCc1ccc(C(OCCc2ccc(OC)cc2)(c2ccc(CC)cc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000026818539 561820671 /nfs/dbraw/zinc/82/06/71/561820671.db2.gz VQUBCMKIGJZUME-WJOKGBTCSA-N -1 0 554.687 6.262 1 0 KKAFRM CCc1ccc(C(OCCc2ccc(OC)cc2)(c2ccc(CC)cc2)[C@H](Oc2nc(C)cc(OC)n2)C(=O)[O-])cc1 ZINC000026821552 561821172 /nfs/dbraw/zinc/82/11/72/561821172.db2.gz BWMGPBPXTCNARL-WJOKGBTCSA-N -1 0 570.686 5.962 1 0 KKAFRM COc1cc(/C=C/COC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc(OC)c1OC ZINC000026821340 561821186 /nfs/dbraw/zinc/82/11/86/561821186.db2.gz MSRYVIMFULZUGC-AMYCCCOXSA-N -1 0 570.642 5.625 1 0 KKAFRM CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@H](C(C)(C)C(=O)[O-])CC[C@@](C)([C@@H]34)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835548 561824262 /nfs/dbraw/zinc/82/42/62/561824262.db2.gz GRDNOWYVDAPYNQ-RCHMIWFHSA-N -1 0 544.729 6.087 1 0 KKAFRM CCCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026837691 561824786 /nfs/dbraw/zinc/82/47/86/561824786.db2.gz ZVCDDSFQCAEMAS-UHFFFAOYSA-N -1 0 619.847 6.073 1 0 KKAFRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NCc2c(F)cccc2Oc2c(O)cccc2C(=O)[O-])cc1 ZINC000027081697 561835153 /nfs/dbraw/zinc/83/51/53/561835153.db2.gz MGROGDYEVRLUOO-ARRMVWEYSA-N -1 0 578.681 6.728 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(CC24CC5CC(CC(C5)C2)C4)c1-3 ZINC000026936064 561827508 /nfs/dbraw/zinc/82/75/08/561827508.db2.gz JLWYLYQBRMWFIV-UHFFFAOYSA-N -1 0 547.783 9.184 1 0 KKAFRM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000026938545 561827825 /nfs/dbraw/zinc/82/78/25/561827825.db2.gz QTDGEAONROPECV-YTCPBCGMSA-N -1 0 647.721 5.688 1 0 KKAFRM CC(C(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026991592 561832533 /nfs/dbraw/zinc/83/25/33/561832533.db2.gz GGMFMILUJJXVRF-UHFFFAOYSA-N -1 0 540.619 7.332 1 0 KKAFRM O=C([O-])CSC(c1ccccc1)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026992226 561832590 /nfs/dbraw/zinc/83/25/90/561832590.db2.gz GDSVVNRRURQISB-UHFFFAOYSA-N -1 0 648.784 9.051 1 0 KKAFRM Cn1c(COc2ccc(C(C)(CCC(=O)[O-])c3ccc(OCc4nc5ccccc5n4C)cc3)cc2)nc2ccccc21 ZINC000026992904 561832813 /nfs/dbraw/zinc/83/28/13/561832813.db2.gz MTQHEEVENVDMFN-UHFFFAOYSA-N -1 0 574.681 6.789 1 0 KKAFRM COc1cccc(CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1Oc1ncccc1C(=O)[O-] ZINC000026994866 561833058 /nfs/dbraw/zinc/83/30/58/561833058.db2.gz ADQJHBBBDIQCIK-GNPWNAQMSA-N -1 0 575.706 6.286 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)c3cccc(CS(=O)(=O)C(F)(F)F)c3)nc2C=CC(=O)[O-])cc1 ZINC000026995847 561833264 /nfs/dbraw/zinc/83/32/64/561833264.db2.gz SVQXSWOXOXCOBS-KBZAEFPTSA-N -1 0 667.768 6.893 1 0 KKAFRM COc1cccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(SC)cn2)c1 ZINC000027079944 561834887 /nfs/dbraw/zinc/83/48/87/561834887.db2.gz YURRIZBVTADDTL-UHFFFAOYSA-N -1 0 581.720 5.220 1 0 KKAFRM CC1(C)O[C@H](COP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](C(=O)[N-]OCc2ccccc2)O1 ZINC000027086506 561836507 /nfs/dbraw/zinc/83/65/07/561836507.db2.gz IJALMJDLINPLTH-CLJLJLNGSA-N -1 0 541.537 5.313 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2)c2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027196962 561844424 /nfs/dbraw/zinc/84/44/24/561844424.db2.gz PJSWDTROAQZMFW-PMERELPUSA-N -1 0 575.681 6.478 1 0 KKAFRM O=C(COc1ccc(OCCCCSc2nc3ccccc3o2)cc1)COc1ccc(C(=O)[O-])cc1 ZINC000027198631 561844851 /nfs/dbraw/zinc/84/48/51/561844851.db2.gz RBQIVSRSXGLCLR-UHFFFAOYSA-N -1 0 507.564 5.504 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(CCc2ccccc2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199076 561844864 /nfs/dbraw/zinc/84/48/64/561844864.db2.gz SUAIAZWSTKYCLP-HKBQPEDESA-N -1 0 554.712 6.357 1 0 KKAFRM CCCCc1ncc(/C=C2\C(=O)N(CCCC)C(=O)N2Cc2csc(C)n2)n1Cc1ccc(C(=O)[O-])cc1 ZINC000027212101 561847413 /nfs/dbraw/zinc/84/74/13/561847413.db2.gz OAJFTPHVUSXSHM-ZVHZXABRSA-N -1 0 535.670 5.343 1 0 KKAFRM CCOP(=O)(OCC)[C@@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000027307853 561850008 /nfs/dbraw/zinc/85/00/08/561850008.db2.gz FYUIHAKUXCAIJC-VWLOTQADSA-N -1 0 535.533 7.022 1 0 KKAFRM O=C(Nc1ccc(C(=O)N2CC[C@@H](CCS(=O)(=O)[O-])Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000027329169 561854430 /nfs/dbraw/zinc/85/44/30/561854430.db2.gz BXVMVOZCTIQAAB-VWLOTQADSA-N -1 0 572.708 6.395 1 0 KKAFRM CN1c2cc3c(cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C ZINC000027425326 561858299 /nfs/dbraw/zinc/85/82/99/561858299.db2.gz ZLPRLJSMDSWGCU-UHFFFAOYSA-N -1 0 548.771 9.333 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000027425795 561858452 /nfs/dbraw/zinc/85/84/52/561858452.db2.gz PCXMELFTIIQIIF-UUBJYFFXSA-N -1 0 707.871 6.907 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N[C@H](C(=O)[O-])c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000027427772 561858817 /nfs/dbraw/zinc/85/88/17/561858817.db2.gz YGTGXBGVWRJJFN-QHCPKHFHSA-N -1 0 550.503 6.934 1 0 KKAFRM O=C([O-])C1CCN(C(=O)/C=C/c2cc(Cl)c(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)CC1 ZINC000027437554 561860389 /nfs/dbraw/zinc/86/03/89/561860389.db2.gz ACULBWCEWUTGGJ-DAFODLJHSA-N -1 0 527.948 5.618 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)ccc2c1O[C@@H](C(=O)[O-])CC2 ZINC000027517895 561861639 /nfs/dbraw/zinc/86/16/39/561861639.db2.gz HDEHVSALVSTKQV-HHHXNRCGSA-N -1 0 508.586 6.339 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518092 561861832 /nfs/dbraw/zinc/86/18/32/561861832.db2.gz DSHYGKAKVRNSRB-AZGAKELHSA-N -1 0 576.694 5.344 1 0 KKAFRM C[C@H](OC[C@H](c1ccccc1)N1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518225 561862054 /nfs/dbraw/zinc/86/20/54/561862054.db2.gz VONJODYKTRPIQC-FDDCHVKYSA-N -1 0 548.524 5.262 1 0 KKAFRM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(Cl)c2C(F)(F)F)CC1 ZINC000027518490 561862396 /nfs/dbraw/zinc/86/23/96/561862396.db2.gz SLISYJFUVRUCKA-QHHAFSJGSA-N -1 0 527.948 5.618 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2cccc(Cl)c2)cc1-c1ccccc1)C(=O)[O-] ZINC000027519032 561862890 /nfs/dbraw/zinc/86/28/90/561862890.db2.gz PSOVTOCTASJZBA-MHZLTWQESA-N -1 0 549.096 5.800 1 0 KKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000027519214 561863017 /nfs/dbraw/zinc/86/30/17/561863017.db2.gz QLLFAZLNQLLXIP-UHFFFAOYSA-N -1 0 574.677 8.068 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COc2ccccc2CC(=O)[O-])c3S1 ZINC000027519932 561863285 /nfs/dbraw/zinc/86/32/85/561863285.db2.gz BTGZEPQNRMERCP-VWLOTQADSA-N -1 0 661.223 9.227 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c2ccccc21 ZINC000027519759 561863296 /nfs/dbraw/zinc/86/32/96/561863296.db2.gz VMJJAYVWERGZRL-RUZDIDTESA-N -1 0 565.029 5.767 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(F)cc2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027519951 561863300 /nfs/dbraw/zinc/86/33/00/561863300.db2.gz KANBVLMKGLPUST-SANMLTNESA-N -1 0 658.795 8.755 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccccn2)c1 ZINC000027521140 561863933 /nfs/dbraw/zinc/86/39/33/561863933.db2.gz MJDLJMHJJYEQFO-IDRNJTBQSA-N -1 0 501.692 7.141 1 0 KKAFRM CCCC(=O)OCC(C)(C)CN1c2ccc(Cl)cc2[C@@H](c2cccc(OC)c2OC)O[C@H](CC(=O)N2CCC(CC(=O)[O-])CC2)C1=O ZINC000027521320 561864088 /nfs/dbraw/zinc/86/40/88/561864088.db2.gz CIDGPTNWLTXSTK-AKGWNBJDSA-N -1 0 673.203 5.651 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc4ccccc4n2)n(Cc2ccc(Cl)cc2)c(COc2ccccc2CC(=O)[O-])c3S1 ZINC000027523088 561864738 /nfs/dbraw/zinc/86/47/38/561864738.db2.gz WZPNCYRGLMYKCE-QHCPKHFHSA-N -1 0 635.185 8.713 1 0 KKAFRM CCc1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)ccc1C(F)(F)F ZINC000027524099 561865431 /nfs/dbraw/zinc/86/54/31/561865431.db2.gz ITUHVJQASQRAST-NBIVFMIFSA-N -1 0 597.743 8.723 1 0 KKAFRM CCC(=O)c1ccccc1CC[C@H](SC[C@@H](C)C(=O)[O-])c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 ZINC000027524122 561865543 /nfs/dbraw/zinc/86/55/43/561865543.db2.gz TWHOYIDRKVBJAN-HDEIMBPMSA-N -1 0 558.143 8.779 1 0 KKAFRM COc1cc2nc(N3CCC(Nc4ccc(C(=O)[O-])cc4)CC3)nc(Nc3ccc(C)cc3)c2cc1OC ZINC000027525314 561866009 /nfs/dbraw/zinc/86/60/09/561866009.db2.gz RUCUDMHVBUZWDS-UHFFFAOYSA-N -1 0 513.598 5.478 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(OC(=O)OC)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027551908 561868198 /nfs/dbraw/zinc/86/81/98/561868198.db2.gz KZTIQUHRWMQXAO-ATNYALBMSA-N -1 0 648.834 6.282 1 0 KKAFRM CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCCc1ccccc1)C(C)C ZINC000027555616 561869442 /nfs/dbraw/zinc/86/94/42/561869442.db2.gz SHPKRKFYFPWCTG-DZUOILHNSA-N -1 0 582.763 5.850 1 0 KKAFRM COc1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2ccc(OC)cc2)cc1 ZINC000027558742 561870094 /nfs/dbraw/zinc/87/00/94/561870094.db2.gz CZSSGPCJACDKIX-HKBQPEDESA-N -1 0 618.623 5.771 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCCOC2CCCCC2)c2ccccc12 ZINC000027656900 561877786 /nfs/dbraw/zinc/87/77/86/561877786.db2.gz LBIPZCBQHPCVFK-UHFFFAOYSA-N -1 0 512.735 7.025 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3ccccc32)c2ccccc12 ZINC000027657455 561878032 /nfs/dbraw/zinc/87/80/32/561878032.db2.gz WUGPVFRNKYSOTD-UHFFFAOYSA-N -1 0 515.698 6.941 1 0 KKAFRM O=C([O-])CCCOc1ccccc1-c1cc2cc(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)ccc2o1 ZINC000027636024 561874414 /nfs/dbraw/zinc/87/44/14/561874414.db2.gz SFPFFORDIXMGCM-UHFFFAOYSA-N -1 0 541.550 7.141 1 0 KKAFRM CCCCc1nnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027709546 561879381 /nfs/dbraw/zinc/87/93/81/561879381.db2.gz SGEGBEUOBCQLKC-UHFFFAOYSA-N -1 0 568.621 6.931 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(O)(c2ccccc2)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027847089 561885736 /nfs/dbraw/zinc/88/57/36/561885736.db2.gz WYJDYTUMUBOENZ-YRLUHINYSA-N -1 0 628.794 7.448 1 0 KKAFRM CC(C)(C)CC(C)(C)c1ccc2c(c1)OCCOCCOCc1cccc(c1C(=O)[O-])COCCOCCO2 ZINC000027863718 561887417 /nfs/dbraw/zinc/88/74/17/561887417.db2.gz KNFXRNZTTBCHCU-UHFFFAOYSA-N -1 0 544.685 5.636 1 0 KKAFRM CC(C)(C)c1ccc(OC[C@@H]2COc3ccccc3OCCOCCOCCOCc3cc(C(C)(C)C)cc(c3C(=O)[O-])CO2)cc1 ZINC000027868303 561887989 /nfs/dbraw/zinc/88/79/89/561887989.db2.gz DYXHLLDYMXYWIX-JGCGQSQUSA-N -1 0 650.809 6.965 1 0 KKAFRM CN(CC(=O)NC1CCN(C(=O)c2ccc3ccccc3c2)CC1)C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027870713 561888208 /nfs/dbraw/zinc/88/82/08/561888208.db2.gz AHCKCCPZYZNBRQ-FAIXQHPJSA-N -1 0 727.754 6.741 1 0 KKAFRM CC(C)c1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027878870 561888909 /nfs/dbraw/zinc/88/89/09/561888909.db2.gz UOYFUVPXYFSQMH-UHFFFAOYSA-N -1 0 642.874 8.057 1 0 KKAFRM CCCC[n+]1c(C)cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1CCC(=O)[O-] ZINC000027894259 561890050 /nfs/dbraw/zinc/89/00/50/561890050.db2.gz JZTYKQMRNKNVBX-LEAFIULHSA-O -1 0 685.697 5.030 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(OC)nc1OCCOc1ncc(Br)cn1 ZINC000027899065 561890652 /nfs/dbraw/zinc/89/06/52/561890652.db2.gz RWSDIQJTZPWKIS-UHFFFAOYSA-N -1 0 660.547 5.395 1 0 KKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@H](CC(=O)NCCc2ccccc2Cl)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991406 561893033 /nfs/dbraw/zinc/89/30/33/561893033.db2.gz PFGBHWSQDVOTAD-WSZLSEGOSA-N -1 0 637.242 7.765 1 0 KKAFRM Cc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)[O-])c2c1 ZINC000028013066 561896664 /nfs/dbraw/zinc/89/66/64/561896664.db2.gz NPPGHKDNQULIMI-SANMLTNESA-N -1 0 510.594 6.017 1 0 KKAFRM CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)[N-]C(=O)CCCCCCCN3 ZINC000028013656 561896861 /nfs/dbraw/zinc/89/68/61/561896861.db2.gz ZRPWXHWTTSCYAL-UHFFFAOYSA-N -1 0 572.731 6.476 1 0 in-vivo KKAFRM Cc1noc([N-]S(=O)(=O)c2sccc2/C=C/c2cc3c(cc2COC2CCOCC2)OCO3)c1Br ZINC000028019866 561898247 /nfs/dbraw/zinc/89/82/47/561898247.db2.gz MLYKYTSBWJXONL-NSCUHMNNSA-N -1 0 583.482 5.203 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(Cc2ccccc2)[nH]1 ZINC000028086283 561899089 /nfs/dbraw/zinc/89/90/89/561899089.db2.gz ZHLUQLUVEWMCJN-WDYNHAJCSA-N -1 0 598.748 5.580 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(-c2ccccc2)s1 ZINC000028086746 561899279 /nfs/dbraw/zinc/89/92/79/561899279.db2.gz KMLVRJBGQLOTRQ-RRPNLBNLSA-N -1 0 601.773 6.390 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)OC(=O)NC2CCCCC2)nc1C(=O)[O-] ZINC000028106026 561902357 /nfs/dbraw/zinc/90/23/57/561902357.db2.gz JBRMRKFUAREDQM-VWNXMTODSA-N -1 0 538.645 5.047 1 0 KKAFRM O=C([O-])[C@@H](CCCCNC(=O)OCc1ccccc1)SC[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028112804 561903214 /nfs/dbraw/zinc/90/32/14/561903214.db2.gz OEEJAFJTSZSUOI-BJKOFHAPSA-N -1 0 514.644 5.071 1 0 KKAFRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000028125676 561904896 /nfs/dbraw/zinc/90/48/96/561904896.db2.gz OUJPKXOGQQVHGA-VQTJNVASSA-N -1 0 580.300 5.272 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000028130023 561905569 /nfs/dbraw/zinc/90/55/69/561905569.db2.gz OQEHAUVVSWHDPI-NDEPHWFRSA-N -1 0 564.704 5.761 1 0 KKAFRM CC[C@H](Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(=O)[O-] ZINC000028130488 561905668 /nfs/dbraw/zinc/90/56/68/561905668.db2.gz XTHHGKZVXMNJNA-SANMLTNESA-N -1 0 541.522 6.378 1 0 KKAFRM COc1ccc(Br)cc1[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C ZINC000028134509 561906271 /nfs/dbraw/zinc/90/62/71/561906271.db2.gz CDRQBRTVVRGMIK-UFRMOSHKSA-N -1 0 669.638 5.387 1 0 KKAFRM COc1ccc([C@@H](c2oc3c(c2[O-])c(OC)cc(OC)c3Cl)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028220632 561907237 /nfs/dbraw/zinc/90/72/37/561907237.db2.gz OSJRZMYTBINECU-SKCUWOTOSA-N -1 0 510.970 5.331 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028226768 561908214 /nfs/dbraw/zinc/90/82/14/561908214.db2.gz MTAIFRNFDVAOAG-CRFLUJQRSA-N -1 0 664.740 5.064 1 0 KKAFRM CC(C)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028345161 561914749 /nfs/dbraw/zinc/91/47/49/561914749.db2.gz XTEJZDMBWFPVLK-NXKNIWMNSA-N -1 0 555.844 7.374 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028334393 561913038 /nfs/dbraw/zinc/91/30/38/561913038.db2.gz UTLXWZDTYYCZOK-NAVNZSPVSA-N -1 0 569.871 7.765 1 0 KKAFRM CCC(=O)N(CC(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028336976 561913425 /nfs/dbraw/zinc/91/34/25/561913425.db2.gz GPXMWXJMSRGOMK-HSZRJFAPSA-N -1 0 541.475 7.056 1 0 KKAFRM CCCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028337950 561913582 /nfs/dbraw/zinc/91/35/82/561913582.db2.gz IYTTUCDELWMTPJ-XMMPIXPASA-N -1 0 628.597 7.876 1 0 KKAFRM COc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028338764 561913756 /nfs/dbraw/zinc/91/37/56/561913756.db2.gz BYORRPJZRWMSCK-QHCPKHFHSA-N -1 0 599.555 7.700 1 0 KKAFRM CC(C)CN(C(=O)Cc1ccccc1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028351636 561915541 /nfs/dbraw/zinc/91/55/41/561915541.db2.gz JXQPNIGJKJSNSP-NDEPHWFRSA-N -1 0 603.546 7.888 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(CCC(=O)[O-])c2)cc1 ZINC000028363807 561917226 /nfs/dbraw/zinc/91/72/26/561917226.db2.gz VWVIWSLVLYAQFF-UHFFFAOYSA-N -1 0 544.673 6.383 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@](C)(Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000028455675 561923587 /nfs/dbraw/zinc/92/35/87/561923587.db2.gz LWFGKMLICQWLKL-LHEWISCISA-N -1 0 589.732 8.701 1 0 KKAFRM Nc1cc2c(cc1N1CCN(c3nc4ccccc4s3)CC1)n(-c1ccc(-c3ccccc3)cc1)cc(C(=O)[O-])c2=O ZINC000028459885 561924894 /nfs/dbraw/zinc/92/48/94/561924894.db2.gz XQMQYEPWBWPELP-UHFFFAOYSA-N -1 0 573.678 5.874 1 0 KKAFRM COc1ccc(-c2ccc(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)[O-])CC4)[C@@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)cc2)cc1 ZINC000028471769 561927032 /nfs/dbraw/zinc/92/70/32/561927032.db2.gz BSBRTBGCGXZSRC-VAYRMZLOSA-N -1 0 674.835 5.755 1 0 KKAFRM Cc1c(Oc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc21 ZINC000028473828 561927499 /nfs/dbraw/zinc/92/74/99/561927499.db2.gz PESUMSRASMUYKX-ZDUSSCGKSA-N -1 0 581.330 7.930 1 0 KKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)CCC1CCCC1 ZINC000028476501 561928266 /nfs/dbraw/zinc/92/82/66/561928266.db2.gz SREFUMFXKRBCDM-HKWRFOASSA-N -1 0 505.352 5.596 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3ccc(Oc4cc(C(F)(F)F)c[nH]4)cc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528081 561932779 /nfs/dbraw/zinc/93/27/79/561932779.db2.gz NXCAPWDBSDFCJW-UHFFFAOYSA-N -1 0 602.531 9.577 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3ccc(Oc4ccc[nH]4)cc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528080 561932800 /nfs/dbraw/zinc/93/28/00/561932800.db2.gz CKICIGYCPKEFTC-UHFFFAOYSA-N -1 0 534.534 8.558 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028523912 561930652 /nfs/dbraw/zinc/93/06/52/561930652.db2.gz TZMLSNRHJVUSLG-BWAHOGKJSA-N -1 0 557.400 6.349 1 0 KKAFRM COc1c2c(C)c(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1Br ZINC000028528569 561933167 /nfs/dbraw/zinc/93/31/67/561933167.db2.gz HHHAELOQIYTSIY-DEOSSOPVSA-N -1 0 615.502 5.819 1 0 KKAFRM CC(C)(C)C1CCC2(CN(c3cc(Cl)cc(Cl)c3)C(=O)N2Cc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000028528553 561933192 /nfs/dbraw/zinc/93/31/92/561933192.db2.gz RQHSTYNDFTYXBK-UHFFFAOYSA-N -1 0 560.522 6.615 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2c(cccc2Cl)n1C(c1ccccc1)c1ccccc1 ZINC000028566360 561936244 /nfs/dbraw/zinc/93/62/44/561936244.db2.gz LPBLJUBPRGIURE-UHFFFAOYSA-N -1 0 544.072 6.955 1 0 KKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OCCC(c1ccccn1)c1ccccn1 ZINC000028568242 561937215 /nfs/dbraw/zinc/93/72/15/561937215.db2.gz BYUOFIBSOBKYKW-JGUPLJPRSA-N -1 0 503.986 6.055 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)c1ccccc1 ZINC000028572390 561940039 /nfs/dbraw/zinc/94/00/39/561940039.db2.gz MEXHFMDZWHFHIB-MHZLTWQESA-N -1 0 520.984 7.530 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCC(c3ccccc3)c3ccccc3)cc1)n2C1CCCCC1 ZINC000028572551 561940219 /nfs/dbraw/zinc/94/02/19/561940219.db2.gz RKTFGKZZMZYLTO-UHFFFAOYSA-N -1 0 516.641 8.118 1 0 KKAFRM CN(C)C(=O)c1ccc(C(Oc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000028572582 561940257 /nfs/dbraw/zinc/94/02/57/561940257.db2.gz NLWCQULRIYJSJI-UHFFFAOYSA-N -1 0 662.762 7.618 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3cccn3CC(=O)[O-])c2)C1=O ZINC000028655876 561946809 /nfs/dbraw/zinc/94/68/09/561946809.db2.gz PQBBNFPZQBRKPV-UHFFFAOYSA-N -1 0 597.716 6.020 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(SCc3nnn[n-]3)c2)C1=O ZINC000028655857 561946822 /nfs/dbraw/zinc/94/68/22/561946822.db2.gz NNMKTACSCZBLRL-UHFFFAOYSA-N -1 0 588.738 5.272 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3nc(C(=O)[O-])co3)c2)C1=O ZINC000028655867 561946869 /nfs/dbraw/zinc/94/68/69/561946869.db2.gz ZAYFSWRWHALHQG-UHFFFAOYSA-N -1 0 585.661 5.820 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)N(C)Cc1ccccc1 ZINC000028707189 561949924 /nfs/dbraw/zinc/94/99/24/561949924.db2.gz RFUAKLVIRXPEDV-FQLXRVMXSA-N -1 0 586.704 6.334 1 0 KKAFRM COc1ccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc54)cc3)cc(Br)c2OCC(=O)[O-])cc1 ZINC000028758917 561957429 /nfs/dbraw/zinc/95/74/29/561957429.db2.gz PEGJJUMNONDEID-UHFFFAOYSA-N -1 0 635.579 9.728 1 0 KKAFRM O=C([O-])CCCOc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028759114 561957508 /nfs/dbraw/zinc/95/75/08/561957508.db2.gz XERQWFRHXJCYBZ-UHFFFAOYSA-N -1 0 557.509 8.832 1 0 KKAFRM C[C@](Cc1ccccc1)(Oc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000028756565 561956408 /nfs/dbraw/zinc/95/64/08/561956408.db2.gz BRYILKVBZUSXIJ-DIPNUNPCSA-N -1 0 538.643 8.822 1 0 KKAFRM CCCCc1oc2ccccc2c1C(=O)c1ccc2c(ccc(O[C@H](Cc3ccccc3)C(=O)[O-])c2Br)c1 ZINC000028757204 561956723 /nfs/dbraw/zinc/95/67/23/561956723.db2.gz JODMKVJBCWXIBI-MUUNZHRXSA-N -1 0 571.467 7.997 1 0 KKAFRM CCCCc1oc2ccccc2c1[C@@H](O)c1ccc(-c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000028757369 561956877 /nfs/dbraw/zinc/95/68/77/561956877.db2.gz JGJRAZZIYPSROD-DEOSSOPVSA-N -1 0 530.256 7.755 1 0 KKAFRM O=C([O-])COc1c(Br)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028758451 561957267 /nfs/dbraw/zinc/95/72/67/561957267.db2.gz RMLAQPUOYYMEEQ-UHFFFAOYSA-N -1 0 608.351 8.815 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)c(=O)c(-c1ccccc1)c2[O-] ZINC000028761744 561958200 /nfs/dbraw/zinc/95/82/00/561958200.db2.gz HTQGMMBDBJRNRP-UHFFFAOYSA-N -1 0 505.603 5.893 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000028761562 561958254 /nfs/dbraw/zinc/95/82/54/561958254.db2.gz AMAJMCLLCWSOCX-UHFFFAOYSA-N -1 0 587.020 5.157 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2cc3ccccc3n2C)c1C ZINC000028767796 561960083 /nfs/dbraw/zinc/96/00/83/561960083.db2.gz AOOKNPITEDSSNB-UHFFFAOYSA-N -1 0 595.681 6.178 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCCC(C)(C)C2=O)c1C ZINC000028768638 561960456 /nfs/dbraw/zinc/96/04/56/561960456.db2.gz FPJPMEXULUCUCB-UHFFFAOYSA-N -1 0 534.638 5.563 1 0 KKAFRM COc1cc2c(cc1OC)n(Cc1ccc3c(c1)OCO3)c(C(=O)[O-])c2Sc1ccc2c(c1)OCO2 ZINC000028769169 561960741 /nfs/dbraw/zinc/96/07/41/561960741.db2.gz NQDCDWVUSPOECA-UHFFFAOYSA-N -1 0 507.520 5.014 1 0 KKAFRM O=C([O-])CCc1c2c(cc(Cc3cccnc3)c1-c1ccccc1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000028771158 561961309 /nfs/dbraw/zinc/96/13/09/561961309.db2.gz RHKHSVZMFKZUKU-SANMLTNESA-N -1 0 561.103 5.846 1 0 KKAFRM O=C([O-])c1cccc(C2=C(c3cc(Br)ccc3OCc3ccc(Cl)c(Cl)c3)CCC2)c1 ZINC000028819249 561965593 /nfs/dbraw/zinc/96/55/93/561965593.db2.gz PJCAPIPFRNWSRA-UHFFFAOYSA-N -1 0 518.234 8.128 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000028819977 561965952 /nfs/dbraw/zinc/96/59/52/561965952.db2.gz KUADILUHMQRNHV-HSZRJFAPSA-N -1 0 611.495 6.414 1 0 KKAFRM CC(C)C[C@@]1(C(=O)OCc2ccccc2)C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822178 561966680 /nfs/dbraw/zinc/96/66/80/561966680.db2.gz GDTPNJZYZINMTJ-SAYMBASOSA-N -1 0 559.606 6.583 1 0 KKAFRM CC(C)C[C@@]1(C(=O)NCc2ccccc2)C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822185 561966697 /nfs/dbraw/zinc/96/66/97/561966697.db2.gz ITQMOQYIMRSFJL-SAYMBASOSA-N -1 0 558.622 6.156 1 0 KKAFRM CC(C)C(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824044 561968774 /nfs/dbraw/zinc/96/87/74/561968774.db2.gz FBPHPUGONBJSQS-UHFFFAOYSA-N -1 0 523.677 7.579 1 0 KKAFRM CCCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824162 561969138 /nfs/dbraw/zinc/96/91/38/561969138.db2.gz RAJOVFJSIKUPMV-UHFFFAOYSA-N -1 0 639.793 8.704 1 0 KKAFRM Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc1Oc1ccc(OC(C)(C)C(=O)[O-])c(C)c1 ZINC000028825473 561970772 /nfs/dbraw/zinc/97/07/72/561970772.db2.gz DAATXYRCHMUOOY-UHFFFAOYSA-N -1 0 519.491 6.426 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825465 561970846 /nfs/dbraw/zinc/97/08/46/561970846.db2.gz SOKGUCREKPAHNX-UHFFFAOYSA-N -1 0 555.471 6.997 1 0 KKAFRM Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(OCc2cc(N3CCCC3=O)ccc2N2CCOCC2)cc1 ZINC000028894103 561978741 /nfs/dbraw/zinc/97/87/41/561978741.db2.gz QYCXVNXIJCHDFN-UHFFFAOYSA-N -1 0 607.751 7.134 1 0 KKAFRM Cc1cc(CCC(=O)[O-])ccc1OCCCN(Cc1cccs1)c1nc2ccc(Cl)cc2s1 ZINC000028902581 561980209 /nfs/dbraw/zinc/98/02/09/561980209.db2.gz MFUUVEONIMQFDE-UHFFFAOYSA-N -1 0 501.073 6.813 1 0 KKAFRM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C3)cc2ccccc21 ZINC000028949598 561980657 /nfs/dbraw/zinc/98/06/57/561980657.db2.gz GAIAHCFLZIBWBP-JOCHJYFZSA-N -1 0 532.618 5.235 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000028951250 561981460 /nfs/dbraw/zinc/98/14/60/561981460.db2.gz OXLOQDAJLIMHFR-FQLXRVMXSA-N -1 0 647.719 6.155 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000028951252 561981472 /nfs/dbraw/zinc/98/14/72/561981472.db2.gz OFGNCYOJEVRDQY-KAYWLYCHSA-N -1 0 601.675 5.413 1 0 KKAFRM CC(C)NC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n1C(C)C ZINC000028951347 561981583 /nfs/dbraw/zinc/98/15/83/561981583.db2.gz IEMIBCGEACGRIC-DNQXCXABSA-N -1 0 524.633 5.200 1 0 KKAFRM O=C([O-])C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 ZINC000028962458 561984555 /nfs/dbraw/zinc/98/45/55/561984555.db2.gz QCEUQTCZDVNXOT-GDLZYMKVSA-N -1 0 518.972 6.116 1 0 KKAFRM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@@]3(C=C(C(=O)[O-])CC3)Cc3ccccc32)c(Cl)c1 ZINC000028962415 561984582 /nfs/dbraw/zinc/98/45/82/561984582.db2.gz ZXOUSYBXWDZVGU-SSEXGKCCSA-N -1 0 532.999 6.424 1 0 KKAFRM COc1ccc(-n2nc(/C=C(/C(=O)[O-])c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963319 561984665 /nfs/dbraw/zinc/98/46/65/561984665.db2.gz WUHOJANFEIJHLK-XDHOZWIPSA-N -1 0 534.226 7.787 1 0 KKAFRM CC(C)(CC(=O)[O-])c1ccc(-c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc43)c2)cc1 ZINC000029037781 561988808 /nfs/dbraw/zinc/98/88/08/561988808.db2.gz CDIRMNDOUXJQQX-UHFFFAOYSA-N -1 0 501.648 6.601 1 0 KKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972160 561986013 /nfs/dbraw/zinc/98/60/13/561986013.db2.gz WUPWRQQPRLHFIS-OAHLLOKOSA-N -1 0 561.420 6.324 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(-c2ccccc2)cc1 ZINC000028973993 561986286 /nfs/dbraw/zinc/98/62/86/561986286.db2.gz ZLGUIWQSSKLPPX-LMSSTIIKSA-N -1 0 550.636 5.268 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977864 561987458 /nfs/dbraw/zinc/98/74/58/561987458.db2.gz ZHOJVBCBTIUSRX-WUFINQPMSA-N -1 0 660.740 5.987 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977758 561987498 /nfs/dbraw/zinc/98/74/98/561987498.db2.gz WAMRMRXFJBBXMX-UPVQGACJSA-N -1 0 604.632 5.089 1 0 in-vitro KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028978854 561988067 /nfs/dbraw/zinc/98/80/67/561988067.db2.gz RBFXKVXGGZSKSM-UHFFFAOYSA-N -1 0 523.480 5.329 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)OCC(C)C)CC[C@@H]2CC(=O)[O-])c1 ZINC000029045548 561992502 /nfs/dbraw/zinc/99/25/02/561992502.db2.gz IMJNPIXMADXNLJ-RSXGOPAZSA-N -1 0 520.626 5.944 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])c1 ZINC000029045677 561992636 /nfs/dbraw/zinc/99/26/36/561992636.db2.gz AESPUDBVEVJROB-AOYPEHQESA-N -1 0 520.626 5.629 1 0 KKAFRM O=C(Nc1cc(C(=O)Nc2cccc3cc(O)ccc32)cc(C(=O)Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1)c1cccc(Cl)c1 ZINC000029049680 561994036 /nfs/dbraw/zinc/99/40/36/561994036.db2.gz GTXKWIDOTYXUAU-UHFFFAOYSA-N -1 0 666.111 7.356 1 0 KKAFRM O=C(Nc1cc(C(=O)Nc2cccc3ccccc32)cc(C(=O)Nc2cccc3cc(S(=O)(=O)[O-])ccc32)c1)c1cccc(Cl)c1 ZINC000029049844 561994155 /nfs/dbraw/zinc/99/41/55/561994155.db2.gz DFIBZULTWIVEQX-UHFFFAOYSA-N -1 0 650.112 7.650 1 0 KKAFRM Cc1cc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc(C)c1O[C@H](Cc1ccccc1)C(=O)[O-] ZINC000029051481 561994499 /nfs/dbraw/zinc/99/44/99/561994499.db2.gz KRSDONHKIAXHAC-WJOKGBTCSA-N -1 0 613.761 6.288 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCC2)C(=O)N(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1=O ZINC000029064408 561996272 /nfs/dbraw/zinc/99/62/72/561996272.db2.gz AIQFACLFKVFQQI-UHFFFAOYSA-N -1 0 574.638 5.197 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(Cl)cc3)[C@H]2C(=O)[O-])c1 ZINC000029126612 561998771 /nfs/dbraw/zinc/99/87/71/561998771.db2.gz SDFVRVMCCOASEM-AOYPEHQESA-N -1 0 516.981 5.584 1 0 KKAFRM CCCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127161 561999530 /nfs/dbraw/zinc/99/95/30/561999530.db2.gz GUFHDBFHNDUDJA-GXJYFLSQSA-N -1 0 503.683 6.527 1 0 in-vitro KKAFRM Cc1cccc(C)c1S(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000029130602 562002736 /nfs/dbraw/zinc/00/27/36/562002736.db2.gz JLOAVXLTFSHXBM-UHFFFAOYSA-N -1 0 693.265 8.390 1 0 KKAFRM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029210419 562005644 /nfs/dbraw/zinc/00/56/44/562005644.db2.gz ICAPMMDFNBEQIH-FQLXRVMXSA-N -1 0 638.592 6.020 1 0 KKAFRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212442 562005919 /nfs/dbraw/zinc/00/59/19/562005919.db2.gz FDMPIKHUGAJHCL-LOSJGSFVSA-N -1 0 594.580 5.595 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc21 ZINC000029215516 562006369 /nfs/dbraw/zinc/00/63/69/562006369.db2.gz FZOXRVKTDSMVKZ-IOWSJCHKSA-N -1 0 709.671 5.874 1 0 KKAFRM O=C([O-])[C@@H](CCc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029215703 562006487 /nfs/dbraw/zinc/00/64/87/562006487.db2.gz DUAIOZPFMYOJPV-IZZNHLLZSA-N -1 0 602.559 5.257 1 0 KKAFRM CN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 ZINC000029217172 562006715 /nfs/dbraw/zinc/00/67/15/562006715.db2.gz VLMSFPMXZNKXCW-KAYWLYCHSA-N -1 0 659.611 5.067 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000029217909 562006842 /nfs/dbraw/zinc/00/68/42/562006842.db2.gz DXEVDZMNAQUVMY-NGDRWEMDSA-N -1 0 699.676 5.598 1 0 KKAFRM CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029219174 562006889 /nfs/dbraw/zinc/00/68/89/562006889.db2.gz HIHJIJXZRQCTJP-XZWHSSHBSA-N -1 0 709.756 6.613 1 0 KKAFRM CCCCC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000029327628 562013489 /nfs/dbraw/zinc/01/34/89/562013489.db2.gz DQLIRQNFEHXWNL-UHFFFAOYSA-N -1 0 566.793 6.581 1 0 KKAFRM O=C([O-])c1c(Cc2cccc(Cl)c2Cl)c(=O)c2ccccc2n1Cc1cc2c(cc1Cl)OCO2 ZINC000029317167 562012646 /nfs/dbraw/zinc/01/26/46/562012646.db2.gz UYEAHEJFQYYKNH-UHFFFAOYSA-N -1 0 516.764 6.028 1 0 KKAFRM CC1(C)CNc2c(cc(CCCC(=O)[O-])cc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCF)CC2)C1 ZINC000029335791 562014341 /nfs/dbraw/zinc/01/43/41/562014341.db2.gz SJTBSZYWADRDOV-VWLOTQADSA-N -1 0 644.835 5.186 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3cc(Cl)ccc3s2)c1 ZINC000029336974 562014582 /nfs/dbraw/zinc/01/45/82/562014582.db2.gz XTKQDRDDLFGMQC-MGUPHCMFSA-N -1 0 592.226 9.010 1 0 KKAFRM CCCOc1ccccc1N1CCN(CCCOc2cc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)ccc2OCc2ccc(C)cc2)CC1 ZINC000029341791 562015355 /nfs/dbraw/zinc/01/53/55/562015355.db2.gz GQRVTXAKOXTRMC-UHFFFAOYSA-N -1 0 703.880 8.004 1 0 KKAFRM CCCSc1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029347506 562016482 /nfs/dbraw/zinc/01/64/82/562016482.db2.gz DEKHAPDBZWVZNT-SFHVURJKSA-N -1 0 539.872 6.299 1 0 KKAFRM CCC[S@](=O)c1cc(N[C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029347485 562016487 /nfs/dbraw/zinc/01/64/87/562016487.db2.gz BUURXBWZMBAAGF-QORVUAJLSA-N -1 0 555.871 5.315 1 0 KKAFRM COc1ccc(Cl)cc1Cc1c2cc(C(F)(F)F)ccc2[nH]c(=O)c1[N-]S(=O)(=O)C(F)(F)F ZINC000029393329 562017950 /nfs/dbraw/zinc/01/79/50/562017950.db2.gz CBCGLLDRSNNYJY-UHFFFAOYSA-N -1 0 514.831 5.061 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000029406337 562020640 /nfs/dbraw/zinc/02/06/40/562020640.db2.gz VAEMMPXFGHVDTG-MHZLTWQESA-N -1 0 542.035 5.764 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C)cc1 ZINC000029467733 562024846 /nfs/dbraw/zinc/02/48/46/562024846.db2.gz GKSXDFYDFXSKQV-SANMLTNESA-N -1 0 533.072 6.087 1 0 KKAFRM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C(=O)[O-])cc1 ZINC000029468067 562024895 /nfs/dbraw/zinc/02/48/95/562024895.db2.gz JFFFWDJPJJEHDO-NDEPHWFRSA-N -1 0 549.675 6.361 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029479568 562027023 /nfs/dbraw/zinc/02/70/23/562027023.db2.gz HOTVSPQKJFKWJW-UHFFFAOYSA-N -1 0 576.675 5.091 1 0 KKAFRM Cn1c2ccc(Cl)cc2c(CCCCCC(=O)N(CCO)CCCC[C@H]([NH2+][C@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)C(=O)[O-])c1-c1cccnc1 ZINC000029486274 562028337 /nfs/dbraw/zinc/02/83/37/562028337.db2.gz ISAPJILMHGVAGT-LQJZCPKCSA-N -1 0 746.305 5.463 1 0 KKAFRM CCCS(=O)(=O)c1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(C(=O)[O-])cc1 ZINC000029489436 562029137 /nfs/dbraw/zinc/02/91/37/562029137.db2.gz OKELITCEOCXTNO-DQEYMECFSA-N -1 0 646.780 6.367 1 0 KKAFRM CCCc1c(O)c(C(C)=O)cc(Cl)c1OCCCCCOc1cc2c(cc1C(C)=O)CC[C@@H](C(=O)[O-])O2 ZINC000029547125 562030258 /nfs/dbraw/zinc/03/02/58/562030258.db2.gz QVSDLEYKKGQAPN-QHCPKHFHSA-N -1 0 533.017 5.810 1 0 KKAFRM CC(=O)OC[C@]12CCC(C)(C)C[C@H]1C(=O)[C@](C)([C@]1(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]1CC(=O)[O-])CC2 ZINC000029548688 562030488 /nfs/dbraw/zinc/03/04/88/562030488.db2.gz IOOUMLPTDODAHX-KMIZAUCPSA-N -1 0 574.799 6.997 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000029556906 562032323 /nfs/dbraw/zinc/03/23/23/562032323.db2.gz JMYVXFQHQUNKFF-FIPFOOKPSA-N -1 0 673.402 5.908 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)[O-])c2nccn2C)cc1 ZINC000034603391 562039115 /nfs/dbraw/zinc/03/91/15/562039115.db2.gz YQUGGIHTWWLTGE-FQEVSTJZSA-N -1 0 501.530 6.056 1 0 KKAFRM O=C([O-])CC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 ZINC000029563064 562033672 /nfs/dbraw/zinc/03/36/72/562033672.db2.gz SYUFSKPOVFADFD-RPPGKUMJSA-N -1 0 501.627 6.514 1 0 KKAFRM CCCCCc1cc(-c2ccc(Cn3c(CC)nc4c3nc(C)cc4C)cc2)c(S(=O)(=O)[N-]C(=O)c2ccccc2)s1 ZINC000029564080 562033958 /nfs/dbraw/zinc/03/39/58/562033958.db2.gz NOCPYKVHPZVKJD-UHFFFAOYSA-N -1 0 600.810 7.239 1 0 KKAFRM O=C([O-])CCCC/C=C(/c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000029565772 562034305 /nfs/dbraw/zinc/03/43/05/562034305.db2.gz STKBASKYRYYRSC-QQXSKIMKSA-N -1 0 529.681 7.294 1 0 KKAFRM CCCc1c(OCCCOc2ccc(-c3cscn3)c(COC)c2CC2CC2)ccc2c1O[C@@H](C(=O)[O-])CC2 ZINC000029567635 562034728 /nfs/dbraw/zinc/03/47/28/562034728.db2.gz PRRASNJIAWFDAA-GDLZYMKVSA-N -1 0 551.705 6.488 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1OCc1ccccc1C(=O)[O-] ZINC000029571739 562035877 /nfs/dbraw/zinc/03/58/77/562035877.db2.gz FSNHAPHHEDJOMI-UHFFFAOYSA-N -1 0 506.595 6.235 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799791 562040660 /nfs/dbraw/zinc/04/06/60/562040660.db2.gz POAFNNRQISTGEJ-BMQPFVSWSA-N -1 0 657.804 7.130 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000034801807 562041444 /nfs/dbraw/zinc/04/14/44/562041444.db2.gz XYZHDRSTLPUTBX-CRXACVATSA-N -1 0 716.775 6.458 1 0 KKAFRM O=C(Nc1ccc(C(F)(F)F)cc1)c1c([O-])n(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2)c1=O ZINC000035017481 562044399 /nfs/dbraw/zinc/04/43/99/562044399.db2.gz RKBKRQYNJVYJHI-UHFFFAOYSA-N -1 0 508.283 5.912 1 0 KKAFRM O=C(OCc1ccccc1)C(=C([O-])c1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000036143603 562048098 /nfs/dbraw/zinc/04/80/98/562048098.db2.gz FTQVBGJEUGWYCN-AENQDCCOSA-N -1 0 586.644 5.468 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCC(=O)[O-])CC[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 ZINC000035570536 562045252 /nfs/dbraw/zinc/04/52/52/562045252.db2.gz PWSMDEUHKJXBGS-VVDIMMNRSA-N -1 0 514.747 6.777 1 0 KKAFRM CC(C)(C)c1ccc(Cn2c3c(cc(S(C)(=O)=O)cc3Br)c3c2[C@H](CC(=O)[O-])CC3)cc1 ZINC000036190252 562051009 /nfs/dbraw/zinc/05/10/09/562051009.db2.gz NNSKWXISEYXEEY-INIZCTEOSA-N -1 0 518.473 5.658 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc5ccc(Cl)cc5n4)c2c(Br)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190293 562051141 /nfs/dbraw/zinc/05/11/41/562051141.db2.gz BLCSPVPYFJDQID-CQSZACIVSA-N -1 0 547.858 5.562 1 0 KKAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(COCCF)c1 ZINC000036238166 562051857 /nfs/dbraw/zinc/05/18/57/562051857.db2.gz POUZXGIFPZCULZ-UHFFFAOYSA-N -1 0 597.713 5.104 1 0 KKAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(COCC)c1 ZINC000036238175 562051869 /nfs/dbraw/zinc/05/18/69/562051869.db2.gz YCNOAAZOGKEPCU-UHFFFAOYSA-N -1 0 579.723 5.154 1 0 KKAFRM CCOC(=O)Nc1ccccc1CC[C@H](SC[C@@H](CC)C(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268403 562052443 /nfs/dbraw/zinc/05/24/43/562052443.db2.gz DFENYAUXMPKISO-QNLPTKCRSA-N -1 0 605.200 8.760 1 0 KKAFRM CC[C@@H](CS[C@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268413 562052452 /nfs/dbraw/zinc/05/24/52/562052452.db2.gz KFPTUNJJKOMORB-URAOTHONSA-N -1 0 602.160 7.176 1 0 KKAFRM CC(C)(O)c1ccccc1CS[C@@H](CCC(C)(C)CC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000036268367 562052474 /nfs/dbraw/zinc/05/24/74/562052474.db2.gz PCGPFIBHLXORMZ-YMUNOAHJSA-N -1 0 588.213 9.542 1 0 KKAFRM CN(C)C(=O)CCS[C@@H](SCCC(=O)[O-])c1cccc(SCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268547 562052666 /nfs/dbraw/zinc/05/26/66/562052666.db2.gz LVGXGGOLOINPQF-VWLOTQADSA-N -1 0 535.156 6.599 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] ZINC000037866903 562062262 /nfs/dbraw/zinc/06/22/62/562062262.db2.gz MHMXWVONZFTAFR-UHFFFAOYSA-N -1 0 568.591 9.057 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)[O-] ZINC000037866900 562062267 /nfs/dbraw/zinc/06/22/67/562062267.db2.gz REVAIOHTAHULEP-UHFFFAOYSA-N -1 0 562.466 7.199 1 0 KKAFRM CCCc1cc(C2=N[C@H]3OCCC[C@@H]3S2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000037866876 562062277 /nfs/dbraw/zinc/06/22/77/562062277.db2.gz VIVBCFKGUVZCLT-GHKAFPQUSA-N -1 0 509.668 5.990 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1Cl)n2C1CCCCC1 ZINC000036350426 562058087 /nfs/dbraw/zinc/05/80/87/562058087.db2.gz AOWDAFXHSGUPCK-UHFFFAOYSA-N -1 0 537.059 8.806 1 0 KKAFRM Cc1nc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c(-c2ccc(Cl)cc2)s1 ZINC000036350427 562058233 /nfs/dbraw/zinc/05/82/33/562058233.db2.gz GYIVTDQIAWKBFH-UHFFFAOYSA-N -1 0 558.103 8.571 1 0 KKAFRM CC(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036351406 562058332 /nfs/dbraw/zinc/05/83/32/562058332.db2.gz YHFNRIJYNYNQHZ-UHFFFAOYSA-N -1 0 549.590 6.039 1 0 KKAFRM O=C([O-])Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000037866933 562062336 /nfs/dbraw/zinc/06/23/36/562062336.db2.gz SUEZNXXKBMUSQM-UHFFFAOYSA-N -1 0 545.806 6.405 1 0 KKAFRM O=C([O-])Cc1ccc(-c2noc(C3CC3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000036757864 562061302 /nfs/dbraw/zinc/06/13/02/562061302.db2.gz GSIWZVSUBWAXOJ-UHFFFAOYSA-N -1 0 509.773 5.615 1 0 KKAFRM O=C([O-])C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000038145760 562064532 /nfs/dbraw/zinc/06/45/32/562064532.db2.gz NJECNJSAXIXETQ-GOTSBHOMSA-N -1 0 522.837 6.535 3 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CSCC(=O)[O-])c3S1 ZINC000038158074 562070125 /nfs/dbraw/zinc/07/01/25/562070125.db2.gz JBJBKBZKXFGRLC-OAQYLSRUSA-N -1 0 601.193 8.339 1 0 KKAFRM Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)[O-])c(F)c2)c1 ZINC000038362672 562071230 /nfs/dbraw/zinc/07/12/30/562071230.db2.gz RPAHCZZXEGWBDL-UHFFFAOYSA-N -1 0 526.626 5.662 1 0 KKAFRM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(Cc2ccncc2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377648 562071655 /nfs/dbraw/zinc/07/16/55/562071655.db2.gz GCTUOYWCMFLXSC-IZZNHLLZSA-N -1 0 672.306 6.549 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C2CCCCC2)cc1 ZINC000038662651 562072118 /nfs/dbraw/zinc/07/21/18/562072118.db2.gz YBFAIXASTVWMKJ-UHFFFAOYSA-N -1 0 515.532 5.614 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)n(C3CCCCC3)n2)cc1 ZINC000038854249 562072381 /nfs/dbraw/zinc/07/23/81/562072381.db2.gz XTOYWZSVBXBXSR-UHFFFAOYSA-N -1 0 515.532 5.749 1 0 KKAFRM C[C@@H]1COc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000040393231 562073936 /nfs/dbraw/zinc/07/39/36/562073936.db2.gz PSSLCVRCOSBDAA-OAHLLOKOSA-N -1 0 502.502 5.048 1 0 KKAFRM CCCCNS(=O)(=O)c1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040394645 562074196 /nfs/dbraw/zinc/07/41/96/562074196.db2.gz LGJDUIYLNPBLTB-UHFFFAOYSA-N -1 0 519.667 5.871 1 0 KKAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040409853 562075201 /nfs/dbraw/zinc/07/52/01/562075201.db2.gz PRDUTBIGRDZMPE-QFIPXVFZSA-N -1 0 519.541 6.537 1 0 KKAFRM CCCCCCO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040411371 562075284 /nfs/dbraw/zinc/07/52/84/562075284.db2.gz WPDWUPQOYHNKGO-AREMUKBSSA-N -1 0 507.652 7.079 1 0 KKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040420632 562075725 /nfs/dbraw/zinc/07/57/25/562075725.db2.gz DBDHAYWBWQWTSJ-XSBVVTFOSA-N -1 0 502.577 7.568 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c2c1cccc2Oc1ccc(Cl)cc1 ZINC000040873602 562081771 /nfs/dbraw/zinc/08/17/71/562081771.db2.gz JMDUGQQDFPMWOZ-LFYBBSHMSA-N -1 0 502.926 5.421 1 0 KKAFRM CC(C)c1onc(CCc2ccccc2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000040874778 562081917 /nfs/dbraw/zinc/08/19/17/562081917.db2.gz OOFCMXPNXVXPEG-ACCUITESSA-N -1 0 502.010 7.684 1 0 KKAFRM O=C([O-])c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccc(Br)cc2F)n1 ZINC000040874727 562081923 /nfs/dbraw/zinc/08/19/23/562081923.db2.gz XXRNACAEFNCEJB-UHFFFAOYSA-N -1 0 512.762 7.248 1 0 KKAFRM CCCCC1(CCCC)OC(c2cc(OC)c(OC)c(OC)c2)=NN1C(=O)[N-]C(=O)c1c(F)cccc1F ZINC000042805466 562089180 /nfs/dbraw/zinc/08/91/80/562089180.db2.gz UVMKNZQZMCCEDQ-UHFFFAOYSA-N -1 0 533.572 5.611 1 0 KKAFRM C[C@H](C(=O)[O-])c1cccc2ccc(OCCCCOc3ccc(CC(=O)NCCc4ccccc4)cc3)cc21 ZINC000040893673 562082893 /nfs/dbraw/zinc/08/28/93/562082893.db2.gz WLFQAMYJASRCCU-DEOSSOPVSA-N -1 0 525.645 6.167 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc(OCCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)c(Cl)c1 ZINC000040914393 562083772 /nfs/dbraw/zinc/08/37/72/562083772.db2.gz QZWUYWNCGMBIEI-QFIPXVFZSA-N -1 0 524.057 6.010 1 0 KKAFRM Cc1cn(Cc2ccc(F)cc2)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000040936261 562085128 /nfs/dbraw/zinc/08/51/28/562085128.db2.gz ZJCMIAAAFFJNTN-QPJJXVBHSA-N -1 0 502.489 5.073 1 0 KKAFRM CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OS(=O)(=O)[O-])[C@@]4(C)CO ZINC000042806147 562089390 /nfs/dbraw/zinc/08/93/90/562089390.db2.gz JZWIJMFLMKBCLP-PAEBMLBLSA-N -1 0 536.775 6.147 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c(=O)c2c([O-])c3c(oc-2c2c1OC(C)(C)C=C2)-c1c2c(c(O)cc1O)OC(C)(C)[C@H]2C3 ZINC000042803161 562088074 /nfs/dbraw/zinc/08/80/74/562088074.db2.gz UJHMTIUPFDVYQA-VLBBBODESA-N -1 0 570.682 7.807 1 0 KKAFRM COc1c([O-])c([C@H](CCC(C)C)c2cc[nH]c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO ZINC000103533236 560050893 /nfs/dbraw/zinc/05/08/93/560050893.db2.gz CTAHMRIMLMVHDY-OAQYLSRUSA-N -1 0 506.575 5.323 1 0 biogenic,in-vitro KKAFRM CCC[C@H]1[C@]2(O)CC[C@]3(CO)[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000085530744 560073444 /nfs/dbraw/zinc/07/34/44/560073444.db2.gz ICFPPWJERBGILD-IZNSSESISA-N -1 0 530.790 6.794 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CCC[C@@H](O)C2 ZINC000085489146 560075621 /nfs/dbraw/zinc/07/56/21/560075621.db2.gz STDQIDVCQRFUCF-UHLOXRSWSA-N -1 0 570.814 8.865 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12CCCC[C@@H]2CC3 ZINC000085489204 560075641 /nfs/dbraw/zinc/07/56/41/560075641.db2.gz QBFIPWPEKHNZDM-SEBNUIHASA-N -1 0 580.853 10.067 1 0 biogenic,in-vitro KKAFRM CC(=O)c1c(O)c(C)c(O)c(Cc2c([O-])c3c(c4c2O[C@H](c2ccccc2)CC4=O)OC(C)(C)C=C3)c1O ZINC000033832041 560088512 /nfs/dbraw/zinc/08/85/12/560088512.db2.gz ZMESDDISZUDKEI-NRFANRHFSA-N -1 0 516.546 5.502 1 0 biogenic,in-vitro KKAFRM O=C(CC[C@@H]1CSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)CO[C@H](C(=O)[O-])C2 ZINC000043023392 562645013 /nfs/dbraw/zinc/64/50/13/562645013.db2.gz GWIDFOFQLXLIML-RPBOFIJWSA-N -1 0 505.661 5.681 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C\Cn2c(=O)c3ccc(Cl)cc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043077555 562645749 /nfs/dbraw/zinc/64/57/49/562645749.db2.gz GDSIWLIKDLXELJ-FPLPWBNLSA-N -1 0 553.014 5.788 1 0 KKAFRM CC(C)(Cc1ccc(OCCCOc2cc3c(cc2Cl)C(C(F)(F)F)=CC(C)(C)O3)cc1)C(=O)[O-] ZINC000043103317 562645956 /nfs/dbraw/zinc/64/59/56/562645956.db2.gz WLJCQVWVVZSGTI-UHFFFAOYSA-N -1 0 512.952 6.958 1 0 KKAFRM CCc1cccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c21 ZINC000043119883 562646045 /nfs/dbraw/zinc/64/60/45/562646045.db2.gz YBWPRDKPAFCNSF-SANMLTNESA-N -1 0 534.634 5.610 1 0 KKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000043121104 562646142 /nfs/dbraw/zinc/64/61/42/562646142.db2.gz NETJJPDGDMKRQA-UHFFFAOYSA-N -1 0 532.590 7.391 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(C(=O)[O-])CC3)c3noc(C(C)C)c3-c3ccc(Cl)cc32)c1OC ZINC000043178109 562646643 /nfs/dbraw/zinc/64/66/43/562646643.db2.gz HSHHDCPKQVEASM-QDPGVEIFSA-N -1 0 569.054 6.010 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)[O-])CC3)c3noc(C(C)C)c3-c3ccc(Cl)cc32)c1OC ZINC000043178091 562646663 /nfs/dbraw/zinc/64/66/63/562646663.db2.gz YQGPZWOFUCOMGM-AYWVHJORSA-N -1 0 583.081 6.400 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043335196 562647883 /nfs/dbraw/zinc/64/78/83/562647883.db2.gz PAAGIBSDBBUEHQ-YYIXSTCNSA-N -1 0 546.840 9.277 1 0 KKAFRM Cc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)[O-] ZINC000043524291 562648987 /nfs/dbraw/zinc/64/89/87/562648987.db2.gz AVCPTPJWFBFSRA-UHFFFAOYSA-N -1 0 561.478 7.804 1 0 KKAFRM CCCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1C(F)(F)F)O2 ZINC000043524569 562649103 /nfs/dbraw/zinc/64/91/03/562649103.db2.gz GEQQWJZHQBMTGF-FIPFOOKPSA-N -1 0 565.654 6.866 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)[O-] ZINC000043532062 562649245 /nfs/dbraw/zinc/64/92/45/562649245.db2.gz GGFKTTFJRGFDPW-VWLOTQADSA-N -1 0 538.600 5.247 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000043532120 562649248 /nfs/dbraw/zinc/64/92/48/562649248.db2.gz BONHCZDILBGAIY-MRLTYDNFSA-N -1 0 630.760 10.215 1 0 KKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(Br)c(Br)s3)c2c1 ZINC000043543855 562649487 /nfs/dbraw/zinc/64/94/87/562649487.db2.gz BPYPBNFBTYPAAJ-SECBINFHSA-N -1 0 577.703 6.460 1 0 KKAFRM CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NC(C)(C)CC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043628045 562650329 /nfs/dbraw/zinc/65/03/29/562650329.db2.gz PMTMUTBRWQLCHU-UHFFFAOYSA-N -1 0 591.671 7.207 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](/N=C/c6ccc(F)cc6F)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043845741 562650997 /nfs/dbraw/zinc/65/09/97/562650997.db2.gz AAZVEARSGRIRIW-XCVTVIKOSA-N -1 0 581.832 9.574 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044052565 562651786 /nfs/dbraw/zinc/65/17/86/562651786.db2.gz SQDHGQYOTGTAMO-UWBJMHDUSA-N -1 0 616.733 9.825 1 0 KKAFRM COc1ccc(N(C(=O)CN2c3ccccc3C(c3ccccc3)=N[C@H](NC(=O)Nc3cccc(C(=O)[O-])c3)C2=O)C(C)C)cc1 ZINC000044247040 562652719 /nfs/dbraw/zinc/65/27/19/562652719.db2.gz YMDHFPLELFBTFO-JGCGQSQUSA-N -1 0 619.678 5.167 1 0 KKAFRM COc1ccc2cc1-c1cc(ccc1[O-])C(=O)[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000044305936 562653610 /nfs/dbraw/zinc/65/36/10/562653610.db2.gz XCZPVAXCZZECDL-FOPBOCKXSA-N -1 0 622.718 6.080 1 0 in-vivo KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)c6ccc(O)cc6)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000044308235 562654241 /nfs/dbraw/zinc/65/42/41/562654241.db2.gz VGODRAUARQJBJM-FCWPOGGHSA-N -1 0 592.817 7.775 1 0 in-vitro KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc([O-])c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000044351456 562654677 /nfs/dbraw/zinc/65/46/77/562654677.db2.gz MRMMGDLQIQYRDA-GAZVIPHGSA-N -1 0 590.798 5.610 1 0 KKAFRM COc1ccccc1Nc1cc2c(c(Nc3ccccc3OC)c1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)[O-])C2 ZINC000044351550 562654742 /nfs/dbraw/zinc/65/47/42/562654742.db2.gz UJZQLNJODHOZRA-QVLFBZODSA-N -1 0 542.720 8.310 1 0 KKAFRM Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(OCC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000044359144 562655409 /nfs/dbraw/zinc/65/54/09/562655409.db2.gz RUUTXFMIBONPLT-UHFFFAOYSA-N -1 0 544.420 5.139 1 0 KKAFRM O=C([O-])COCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000044359976 562655564 /nfs/dbraw/zinc/65/55/64/562655564.db2.gz SHVRJGKZAMPNNR-UHFFFAOYSA-N -1 0 522.405 6.074 1 0 KKAFRM CC(C)c1onc(CNc2c(Cl)cncc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044388360 562656352 /nfs/dbraw/zinc/65/63/52/562656352.db2.gz AYBHGBNYWWOHIR-VOTSOKGWSA-N -1 0 572.876 8.213 1 0 KKAFRM COc1ccc(Cl)c(-c2noc(C(C)C)c2COc2ccc(-c3ccc4c(C(=O)[O-])cn(C)c4c3)c(C)c2)n1 ZINC000044404944 562656580 /nfs/dbraw/zinc/65/65/80/562656580.db2.gz LOUFJUUIECUECD-UHFFFAOYSA-N -1 0 546.023 7.266 1 0 KKAFRM CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044405796 562656734 /nfs/dbraw/zinc/65/67/34/562656734.db2.gz NEFNDEIUAAEYCY-MDZDMXLPSA-N -1 0 570.900 8.991 1 0 KKAFRM O=C1O/C(=C\c2cc(Br)c([O-])c(Br)c2)C(c2ccc(O)c(Br)c2)=C1Cl ZINC000044406578 562656917 /nfs/dbraw/zinc/65/69/17/562656917.db2.gz FEHAPSSBKNKXHJ-ACAGNQJTSA-N -1 0 551.412 5.933 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc(-c3ccccc3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000044417164 562657045 /nfs/dbraw/zinc/65/70/45/562657045.db2.gz LKBNLSFEFYTSCW-ZBLYBZFDSA-N -1 0 531.653 6.309 1 0 KKAFRM Cn1c2cc([S@@](=O)CCCn3cccc3)c([O-])cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000044430299 562657436 /nfs/dbraw/zinc/65/74/36/562657436.db2.gz FMCCVTFUOPGACL-DIPNUNPCSA-N -1 0 532.021 5.241 1 0 KKAFRM Cc1ccc(-c2ncsc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000044430331 562657486 /nfs/dbraw/zinc/65/74/86/562657486.db2.gz YMQOWLPINZUWMF-UHFFFAOYSA-N -1 0 543.497 7.450 1 0 KKAFRM C/C(=C\Cc1cc(O)ccc1O)CCC/C(=C/OS(=O)(=O)[O-])CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000044430468 562657514 /nfs/dbraw/zinc/65/75/14/562657514.db2.gz YWQLMAVHNHBVCN-NRDRPXJESA-N -1 0 546.770 8.039 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(Cl)cc3)ccc2CCC(=O)[O-])c1 ZINC000045367099 562662082 /nfs/dbraw/zinc/66/20/82/562662082.db2.gz GDNZFYOGEPYRIK-MUUNZHRXSA-N -1 0 508.058 7.070 1 0 KKAFRM CCOC(=O)c1c(-c2ccc(-c3cccc(OC)c3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045367351 562662131 /nfs/dbraw/zinc/66/21/31/562662131.db2.gz GIRZHGMPJCCFHK-UHFFFAOYSA-N -1 0 501.560 6.218 1 0 KKAFRM CCCc1ccc(-c2sc(COc3ccc(OCC(=O)[O-])c(C)c3)nc2-c2ccc(OC)cc2)cc1 ZINC000049032857 562663436 /nfs/dbraw/zinc/66/34/36/562663436.db2.gz HTIRTHBEBBWNMZ-UHFFFAOYSA-N -1 0 503.620 6.789 1 0 KKAFRM COc1ccc(-c2nc(COc3cccc(OCC(=O)[O-])c3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049033052 562663438 /nfs/dbraw/zinc/66/34/38/562663438.db2.gz QOKKEHLPZCUUEA-UHFFFAOYSA-N -1 0 515.509 6.547 1 0 KKAFRM Cc1oc(-c2ccc(C(C)C)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049070766 562664104 /nfs/dbraw/zinc/66/41/04/562664104.db2.gz OLZIRYIUFPHXPU-UHFFFAOYSA-N -1 0 528.605 6.746 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1c1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1c1ccccc1 ZINC000049605925 562666430 /nfs/dbraw/zinc/66/64/30/562666430.db2.gz QNIDABGBPRCNPO-RNPORBBMSA-N -1 0 697.493 6.975 1 0 KKAFRM Cc1cccc([C@H](NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H](NC(=O)c2ccc3ccccc3n2)C(=O)[O-])c2cc3ccccc3[nH]2)c1 ZINC000049605941 562666469 /nfs/dbraw/zinc/66/64/69/562666469.db2.gz XAFJDWKTWYKYHX-WDSXCPAJSA-N -1 0 711.819 5.372 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)[O-])OC4(C)C)[C@H](O)[C@]2(O)C3=O ZINC000049650314 562668100 /nfs/dbraw/zinc/66/81/00/562668100.db2.gz DDHIBLNIKXAEPQ-GLPUFRAVSA-N -1 0 662.776 5.405 1 0 KKAFRM O=C(COc1cccc2occ(S(=O)(=O)c3ccc4ccccc4c3)c21)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049679826 562669027 /nfs/dbraw/zinc/66/90/27/562669027.db2.gz JLAXOLCAMKPFKQ-UHFFFAOYSA-N -1 0 596.491 5.671 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC=C(C)C ZINC000049694817 562669825 /nfs/dbraw/zinc/66/98/25/562669825.db2.gz IFEIUFUMDATZMQ-KAODMTDESA-N -1 0 616.663 6.443 1 0 KKAFRM O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3cccc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)c3)c2)c1 ZINC000049695394 562670507 /nfs/dbraw/zinc/67/05/07/562670507.db2.gz CHOAIFRYNGMPMP-UHFFFAOYSA-N -1 0 656.720 6.581 1 0 KKAFRM CCOC(=O)c1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000049745817 562674130 /nfs/dbraw/zinc/67/41/30/562674130.db2.gz RXXFLTUCKIRSNA-UHFFFAOYSA-N -1 0 539.531 7.228 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)cc(C)c2O1 ZINC000049746110 562674228 /nfs/dbraw/zinc/67/42/28/562674228.db2.gz NPZCFXXMKAOUPJ-VDIRGDCDSA-N -1 0 614.248 9.409 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC([O-])=NC(=O)Oc3ccccc3)c(C)c(C)c2O1 ZINC000049756481 562675016 /nfs/dbraw/zinc/67/50/16/562675016.db2.gz KEYVYWPMHBMOJR-YDNNPJCPSA-N -1 0 573.774 9.874 1 0 KKAFRM CC(=O)N[C@H](COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccccc1 ZINC000049756466 562675033 /nfs/dbraw/zinc/67/50/33/562675033.db2.gz ZCMYCXPFIITCJF-MUUNZHRXSA-N -1 0 607.216 8.143 1 0 KKAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049757232 562675685 /nfs/dbraw/zinc/67/56/85/562675685.db2.gz JHFMJPGATWYJDY-MHZLTWQESA-N -1 0 677.307 9.632 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC([O-])=NC(=O)Oc3ccccc3)c(C)c(C)c2O1 ZINC000049757200 562675728 /nfs/dbraw/zinc/67/57/28/562675728.db2.gz UZNAPDDKUSQART-HFYOCIDQSA-N -1 0 587.801 10.182 1 0 KKAFRM COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)C=Cc2ccc(Cl)cc2)ccc1O ZINC000049757273 562675763 /nfs/dbraw/zinc/67/57/63/562675763.db2.gz NIYHQUIWIATXSH-QIXYNKMSSA-N -1 0 647.032 5.280 1 0 KKAFRM COc1cc(C(=O)[N-]c2nsnc2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1 ZINC000049762203 562676403 /nfs/dbraw/zinc/67/64/03/562676403.db2.gz YYIWJURABACIKM-UHFFFAOYSA-N -1 0 559.942 5.356 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(-c2cn(CCCCC(=O)N3c4ccccc4Sc4ccccc43)nn2)c1-c1ccccc1 ZINC000049766690 562677163 /nfs/dbraw/zinc/67/71/63/562677163.db2.gz VTQCIYGPUCINBW-UHFFFAOYSA-N -1 0 615.715 7.507 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3cccc(OC(F)(F)F)c3)s2)ccc1OCC(=O)[O-] ZINC000049774631 562678663 /nfs/dbraw/zinc/67/86/63/562678663.db2.gz FMBDSCXDWQLLHZ-UHFFFAOYSA-N -1 0 573.589 7.514 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OCC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049774807 562678766 /nfs/dbraw/zinc/67/87/66/562678766.db2.gz VJEHEVNITAGOPM-UHFFFAOYSA-N -1 0 587.616 7.761 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc4c(ccn4CC(=O)[O-])c3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049774877 562678809 /nfs/dbraw/zinc/67/88/09/562678809.db2.gz SBSJCJWFVQOFSO-UHFFFAOYSA-N -1 0 538.547 7.123 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000049775436 562679085 /nfs/dbraw/zinc/67/90/85/562679085.db2.gz SUWPKRLNGSVPRR-UHFFFAOYSA-N -1 0 529.536 6.855 1 0 KKAFRM O=C([O-])[C@H](Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccc(O)cc3O)cc2)cc1)c1ccccc1 ZINC000049775736 562679211 /nfs/dbraw/zinc/67/92/11/562679211.db2.gz BFJLHKAOGUUVFL-UUWRZZSWSA-N -1 0 558.655 8.442 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNC(=O)Cc2ccccc2)cc1 ZINC000049776336 562679402 /nfs/dbraw/zinc/67/94/02/562679402.db2.gz VFZKCMYKNVUTER-UHFFFAOYSA-N -1 0 643.183 8.154 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1 ZINC000049777284 562679868 /nfs/dbraw/zinc/67/98/68/562679868.db2.gz WFRIQMIPJKSYEH-UHFFFAOYSA-N -1 0 530.455 5.662 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccco3)n4C3CCCCC3)CCC2)cc1 ZINC000049777868 562680584 /nfs/dbraw/zinc/68/05/84/562680584.db2.gz PCPPGVMBKPVVQU-LFIBNONCSA-N -1 0 552.631 6.191 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)CCC2)cc1 ZINC000049780238 562681520 /nfs/dbraw/zinc/68/15/20/562681520.db2.gz ZUGRHWONGXAWRQ-NTEUORMPSA-N -1 0 552.631 6.191 1 0 KKAFRM CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049780432 562681717 /nfs/dbraw/zinc/68/17/17/562681717.db2.gz PXCICGCCLRPVFP-OUSYDVBMSA-N -1 0 526.802 8.585 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000049780770 562682234 /nfs/dbraw/zinc/68/22/34/562682234.db2.gz NZCUOOWQAWCQOB-VZUCSPMQSA-N -1 0 571.816 5.804 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049781376 562682993 /nfs/dbraw/zinc/68/29/93/562682993.db2.gz ZXYKWXOELKVFQP-WEVVVXLNSA-N -1 0 606.261 6.457 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049781359 562683014 /nfs/dbraw/zinc/68/30/14/562683014.db2.gz OKEIGOKESHNEJW-CSKARUKUSA-N -1 0 535.836 5.254 1 0 KKAFRM CO[C@H]1CC2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n3[C@H]2c2cccc(F)c2)c2ccccc21 ZINC000049784402 562683602 /nfs/dbraw/zinc/68/36/02/562683602.db2.gz PPUYQISPVMXQHC-ZWAMTBNVSA-N -1 0 578.621 5.561 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)no1 ZINC000049785591 562684042 /nfs/dbraw/zinc/68/40/42/562684042.db2.gz WEEMHMXBXLEXRD-UHFFFAOYSA-N -1 0 605.327 8.268 1 0 KKAFRM Cc1cc(OCc2nc(-c3cnc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049792614 562684430 /nfs/dbraw/zinc/68/44/30/562684430.db2.gz YUQDCYGNFHDRMY-UHFFFAOYSA-N -1 0 575.565 6.304 1 0 KKAFRM O=C([O-])COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(F)c2)C2=C(N=3)/C(=C/c3cccc(F)c3)CCC2)c1 ZINC000049793339 562684748 /nfs/dbraw/zinc/68/47/48/562684748.db2.gz ODOQDNXIJAFGSJ-HZVHFKMWSA-N -1 0 570.617 5.224 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C21OCCO1)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049793924 562685321 /nfs/dbraw/zinc/68/53/21/562685321.db2.gz LOHPTCODRFISJW-ZHACJKMWSA-N -1 0 615.516 5.473 1 0 KKAFRM CCCOc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncccn3)CC2)c1 ZINC000049802250 562685581 /nfs/dbraw/zinc/68/55/81/562685581.db2.gz CPTKUOHKXIGXND-UHFFFAOYSA-N -1 0 580.751 5.490 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000049802906 562685950 /nfs/dbraw/zinc/68/59/50/562685950.db2.gz AAYVABSRCANGGE-ZHACJKMWSA-N -1 0 572.511 5.414 1 0 KKAFRM NS(=O)(=O)c1cc(-c2ccc(CSCc3ccc(CS(=O)(=O)[O-])c(Br)c3)cc2)ccc1Br ZINC000049803671 562686196 /nfs/dbraw/zinc/68/61/96/562686196.db2.gz UHICBCDEJAVVFZ-UHFFFAOYSA-N -1 0 621.394 5.347 1 0 KKAFRM CC(C)=CCc1c2c(cc3c4c([nH]c31)[C@@]1(C)[C@H](C4)CC[C@H]3[C@](C)(CC/C=C(\C)C(=O)[O-])[C@@H](O)CC[C@@]31C)C1=CC(C)(C)OC(C)(C)C1=C2 ZINC000049833155 562687544 /nfs/dbraw/zinc/68/75/44/562687544.db2.gz HDJXFKXAERMFQW-QFIVBDMGSA-N -1 0 651.932 9.863 1 0 KKAFRM Cc1ccccc1SCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049833192 562687575 /nfs/dbraw/zinc/68/75/75/562687575.db2.gz HAYBGJXAYGZRBA-UHFFFAOYSA-N -1 0 725.332 8.772 1 0 KKAFRM NC(=O)[C@H]1CCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049841155 562688079 /nfs/dbraw/zinc/68/80/79/562688079.db2.gz QEWQILBTWBFEMN-PSXMRANNSA-N -1 0 729.299 5.664 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCn2cncn2)cc1 ZINC000049841156 562688088 /nfs/dbraw/zinc/68/80/88/562688088.db2.gz QTHOUHRLGGQGES-UHFFFAOYSA-N -1 0 684.218 6.006 1 0 KKAFRM C[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000049853635 562688998 /nfs/dbraw/zinc/68/89/98/562688998.db2.gz GKQYYVGEGDRSBE-PKTZIBPZSA-N -1 0 637.209 7.854 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(COC(=O)/C=C\c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000049898585 562692665 /nfs/dbraw/zinc/69/26/65/562692665.db2.gz UQWOVDOTSQPRJO-RBHNILKQSA-N -1 0 634.854 7.004 1 0 KKAFRM Cc1cccc(C)c1CS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898618 562692692 /nfs/dbraw/zinc/69/26/92/562692692.db2.gz MXWYRTXAWXKUSG-UHFFFAOYSA-N -1 0 707.292 8.531 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCn2ncnn2)cc1 ZINC000049899404 562693101 /nfs/dbraw/zinc/69/31/01/562693101.db2.gz SKQREXBADBSYJI-UHFFFAOYSA-N -1 0 685.206 5.401 1 0 KKAFRM CCCOC(=O)c1ccccc1N[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000049902588 562693388 /nfs/dbraw/zinc/69/33/88/562693388.db2.gz XIWMIXZBGBMMEE-MUUNZHRXSA-N -1 0 528.605 5.946 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)NCCO)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000049942229 562695366 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KCQKANLXECDDTE-UHFFFAOYSA-N -1 0 613.780 8.180 1 0 KKAFRM CCOc1cc(C(=O)[O-])cc(NC(=O)c2nc3c(s2)CN(C(C)C)CC3)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000073167575 562734639 /nfs/dbraw/zinc/73/46/39/562734639.db2.gz KQWYARIIKHWIKH-UHFFFAOYSA-N -1 0 571.099 5.484 1 0 KKAFRM Cn1c(S[C@H](C(=O)[O-])c2ccccc2)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073169643 562734885 /nfs/dbraw/zinc/73/48/85/562734885.db2.gz HCVRAOLSBVFSFU-FQEVSTJZSA-N -1 0 513.406 5.959 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N[C@H](C)C(=O)[O-])c(OC(C)C)c1 ZINC000073198094 562735581 /nfs/dbraw/zinc/73/55/81/562735581.db2.gz PGMZKPXKOXTKBZ-KBEBOQJUSA-N -1 0 570.473 6.517 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073198801 562735867 /nfs/dbraw/zinc/73/58/67/562735867.db2.gz WQKSTZXYHFYAKY-UHFFFAOYSA-N -1 0 517.629 6.641 1 0 KKAFRM C[C@@H](Oc1cc(Cn2c(=O)n(-c3noc4cc(Cl)ccc43)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)[O-] ZINC000073199639 562736039 /nfs/dbraw/zinc/73/60/39/562736039.db2.gz CFNFKPVONGQJGI-GFCCVEGCSA-N -1 0 566.319 6.159 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)OC(C)(C)C)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000073313679 562737976 /nfs/dbraw/zinc/73/79/76/562737976.db2.gz SFMMSTLAKPKEMZ-ZTOMLWHTSA-N -1 0 541.666 5.983 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3cccc(F)c3)ccc2c1 ZINC000073387119 562738516 /nfs/dbraw/zinc/73/85/16/562738516.db2.gz JDXALSHLHLISCC-HKBQPEDESA-N -1 0 587.673 6.830 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)NCCCCCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000073390940 562738599 /nfs/dbraw/zinc/73/85/99/562738599.db2.gz BNLZFKQVTBJTOW-XKQUNUCNSA-N -1 0 529.762 6.675 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)[O-] ZINC000082151728 562739946 /nfs/dbraw/zinc/73/99/46/562739946.db2.gz NZEXMNJYBYIHPU-BKUIHFEHSA-N -1 0 535.750 7.601 1 0 KKAFRM CC(C)CCN(Cc1ccc(C(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000082153708 562740188 /nfs/dbraw/zinc/74/01/88/562740188.db2.gz QFHUEOOUDLYORC-UHFFFAOYSA-N -1 0 509.490 8.142 1 0 KKAFRM O=S(=O)(c1ccc(Br)cc1)c1ccc(-c2n[n-]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000082154338 562740351 /nfs/dbraw/zinc/74/03/51/562740351.db2.gz UNFRKQCRFAXVAZ-UHFFFAOYSA-N -1 0 556.385 6.091 1 0 KKAFRM CC(C)=CC/C(=C/CSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-])CCc1ccc(-c2ccccc2)cc1 ZINC000082154845 562740377 /nfs/dbraw/zinc/74/03/77/562740377.db2.gz AHJGURHCLOZLFH-DFVHWDNKSA-N -1 0 605.800 8.978 1 0 KKAFRM CSCC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4O)n3c2)n(-c2ccccc2)n1 ZINC000082164881 562741307 /nfs/dbraw/zinc/74/13/07/562741307.db2.gz DTHLCVJWGVEPFM-UHFFFAOYSA-N -1 0 635.819 7.401 1 0 KKAFRM O=C([O-])Cc1cnc(C(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 ZINC000084603264 562744123 /nfs/dbraw/zinc/74/41/23/562744123.db2.gz NDJTVHYLDHNDKQ-WUXMJOGZSA-N -1 0 505.357 6.052 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCCCCNc2ccccn2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654087 562747186 /nfs/dbraw/zinc/74/71/86/562747186.db2.gz HKOMVWLUPCUKGC-NRFANRHFSA-N -1 0 502.398 5.085 1 0 KKAFRM CCCN(Cc1ccccc1OCCCCCC(=O)[O-])C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000084669909 562748128 /nfs/dbraw/zinc/74/81/28/562748128.db2.gz HWHMLYLJKULAIJ-UHFFFAOYSA-N -1 0 503.595 6.159 1 0 KKAFRM Cn1cc(-c2c3n(c(=O)cc2COc2cccc(Oc4ccccc4)c2)[C@H](C(=O)[O-])CS3)c2ccccc21 ZINC000084671397 562748500 /nfs/dbraw/zinc/74/85/00/562748500.db2.gz OKJAZAPUPAEIBS-SANMLTNESA-N -1 0 524.598 6.110 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Br)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084671718 562748640 /nfs/dbraw/zinc/74/86/40/562748640.db2.gz LWGMZHQYPYIDNE-RRPNLBNLSA-N -1 0 676.582 5.390 1 0 KKAFRM CCCCc1nc2ccc(Br)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000084690206 562749505 /nfs/dbraw/zinc/74/95/05/562749505.db2.gz PDVOEHGCFMJVQS-UHFFFAOYSA-N -1 0 593.547 7.262 1 0 KKAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCCN(C)C1=O ZINC000084712461 562750788 /nfs/dbraw/zinc/75/07/88/562750788.db2.gz KTHHACXJWUSTDW-UHFFFAOYSA-N -1 0 576.719 5.105 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(OCC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084712910 562750814 /nfs/dbraw/zinc/75/08/14/562750814.db2.gz MNTQHUIQXUGTBE-VAVYLYDRSA-N -1 0 569.054 5.181 1 0 KKAFRM Cc1cccc(-c2sc3c(-c4ccc5c(c4)OCO5)c(COc4cccc5ccccc54)c(CN4CCOCC4)c(=O)n3c2C(=O)[O-])c1 ZINC000084712850 562750829 /nfs/dbraw/zinc/75/08/29/562750829.db2.gz HXUSVTMIDOKLGK-UHFFFAOYSA-N -1 0 660.748 6.995 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084713601 562750919 /nfs/dbraw/zinc/75/09/19/562750919.db2.gz OBEYGAWFKPBUQG-RUZDIDTESA-N -1 0 557.659 8.375 1 0 KKAFRM CCCC[C@@H](Sc1ccc(OCC(=O)[O-])c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000084726597 562751305 /nfs/dbraw/zinc/75/13/05/562751305.db2.gz JYVHKHHKUPLYOZ-OAQYLSRUSA-N -1 0 509.615 7.933 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Sc1ccc(OCC(=O)[O-])c(C)c1)C(c1ccccc1)c1ccccc1 ZINC000084726564 562751334 /nfs/dbraw/zinc/75/13/34/562751334.db2.gz PDWRXBMAHCWIFE-YTTGMZPUSA-N -1 0 619.730 9.575 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(F)cc3F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1 ZINC000084732682 562751842 /nfs/dbraw/zinc/75/18/42/562751842.db2.gz NFDVKFWBLCAWOT-UHFFFAOYSA-N -1 0 653.264 8.394 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3)cc2)Cc2cc(F)cc(F)c2)c(Br)c1 ZINC000084738665 562751903 /nfs/dbraw/zinc/75/19/03/562751903.db2.gz LHQBVGUGVONUIH-UHFFFAOYSA-N -1 0 617.284 8.116 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(N(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)Cc2cc(F)cc(F)c2)c(Br)c1 ZINC000084740354 562752046 /nfs/dbraw/zinc/75/20/46/562752046.db2.gz JVGQJSSWOAJQSX-UHFFFAOYSA-N -1 0 686.174 9.423 1 0 KKAFRM COc1ccc(NC(=O)COc2cc(=O)c3c([O-])c(O)c(-c4ccc5c(c4)O[C@@H](c4ccc(OCC(=O)Nc6ccc(OC)cc6)c(OC)c4)[C@@H](CO)O5)oc-3c2)cc1 ZINC000095536773 562754124 /nfs/dbraw/zinc/75/41/24/562754124.db2.gz KISBLJIONNDZHV-WGYIJZORSA-N -1 0 806.777 5.805 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000095536765 562754148 /nfs/dbraw/zinc/75/41/48/562754148.db2.gz VVMJPLHVXLEJDP-OMGNGIFRSA-N -1 0 815.615 7.095 1 0 KKAFRM O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2cccnc2)n1 ZINC000095538422 562754763 /nfs/dbraw/zinc/75/47/63/562754763.db2.gz PQDHWWSNOKXYME-UWXQCODUSA-N -1 0 789.918 5.511 1 0 KKAFRM CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095539837 562755305 /nfs/dbraw/zinc/75/53/05/562755305.db2.gz GBWBVQBXYASGEU-LJEWAXOPSA-N -1 0 806.341 8.291 1 0 KKAFRM CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(C(F)(F)C(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095542553 562756769 /nfs/dbraw/zinc/75/67/69/562756769.db2.gz HNWFPZYXKCEGGS-NPHZLWFCSA-N -1 0 811.879 6.428 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000095543825 562757510 /nfs/dbraw/zinc/75/75/10/562757510.db2.gz XCDKAPPLBHAEDV-DORXLWPQSA-N -1 0 802.152 7.852 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)[O-])OC4(C)C)[C@H](O)[C@@H]2C3=O ZINC000095558136 562762366 /nfs/dbraw/zinc/76/23/66/562762366.db2.gz LJUARHDVFLLQMF-QHVDJHRVSA-N -1 0 646.777 6.290 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C(=O)NCc4ccc(F)cc4)c4ccccc4)ccc3n2)cc1 ZINC000095560800 562763176 /nfs/dbraw/zinc/76/31/76/562763176.db2.gz XVWYLDUPXZROGU-QNGWXLTQSA-N -1 0 694.763 7.443 1 0 KKAFRM Cc1oc(-c2cccc(Br)c2)nc1CN(Cc1ccco1)Cc1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000095562401 562763684 /nfs/dbraw/zinc/76/36/84/562763684.db2.gz LGXBDZFILXMOHD-UHFFFAOYSA-N -1 0 539.426 6.450 1 0 KKAFRM Cc1ccccc1S(=O)(=O)N1[C@@H](c2ccc(Cl)cc2)CC=C(C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000095570655 562768350 /nfs/dbraw/zinc/76/83/50/562768350.db2.gz AQBGQCQTFVOOMP-VWNXMTODSA-N -1 0 502.419 6.190 3 0 KKAFRM CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)cs1 ZINC000095573480 562769737 /nfs/dbraw/zinc/76/97/37/562769737.db2.gz LAEDNVNFIHGXNG-UHFFFAOYSA-N -1 0 652.777 6.399 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3nccs3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095575037 562770206 /nfs/dbraw/zinc/77/02/06/562770206.db2.gz WBJCXDOOYIKSHW-CZIZESTLSA-N -1 0 582.726 6.739 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccc(F)cn1 ZINC000095575697 562770407 /nfs/dbraw/zinc/77/04/07/562770407.db2.gz CGZHPIHDTXQFRE-CXUHLZMHSA-N -1 0 580.660 6.426 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cscn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095575763 562770429 /nfs/dbraw/zinc/77/04/29/562770429.db2.gz UGUFCSYOKLCYFW-CAPFRKAQSA-N -1 0 582.726 6.739 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ncccn4)c5C4CCCC4)CCC3)ccc21 ZINC000095576922 562770795 /nfs/dbraw/zinc/77/07/95/562770795.db2.gz LNWVNQJUZNBBPT-UHFFFAOYSA-N -1 0 590.684 5.774 1 0 KKAFRM CCCOc1ccc(CC(CCc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095578382 562771242 /nfs/dbraw/zinc/77/12/42/562771242.db2.gz LRXGJOXZHIWAFZ-XVDLPIACSA-N -1 0 579.781 7.749 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccc(Cl)cn4)c5C4CCCC4)CCC3)ccc21 ZINC000095578807 562771394 /nfs/dbraw/zinc/77/13/94/562771394.db2.gz CJLLUDXIDUDXFW-UHFFFAOYSA-N -1 0 624.141 7.032 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])c4ccccc4)c3)cc2C(C)(C)C)c1 ZINC000095578856 562771400 /nfs/dbraw/zinc/77/14/00/562771400.db2.gz CZMPYWGLNLJPNO-NDEPHWFRSA-N -1 0 512.621 7.984 1 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)nc1 ZINC000095579271 562771480 /nfs/dbraw/zinc/77/14/80/562771480.db2.gz IJYPKNYLGFVNSZ-LDADJPATSA-N -1 0 564.686 6.451 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1cnccn1 ZINC000095580317 562771785 /nfs/dbraw/zinc/77/17/85/562771785.db2.gz LXWWYLLDBDYIRZ-XNTDXEJSSA-N -1 0 551.647 5.538 1 0 KKAFRM Cn1nccc1-c1cc(OC(F)(F)F)ccc1Oc1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000095580698 562771951 /nfs/dbraw/zinc/77/19/51/562771951.db2.gz CKYIZAOLSPVFJO-UHFFFAOYSA-N -1 0 514.482 5.174 1 0 KKAFRM Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2ncc(Cl)s2)cc1F ZINC000095580785 562771955 /nfs/dbraw/zinc/77/19/55/562771955.db2.gz XRRLVUUVYLHKFQ-UHFFFAOYSA-N -1 0 518.354 5.294 1 0 KKAFRM Nc1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)n1 ZINC000095582274 562772465 /nfs/dbraw/zinc/77/24/65/562772465.db2.gz UIJBJUIVTUATTM-UHFFFAOYSA-N -1 0 512.375 5.221 1 0 KKAFRM CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3ncns3)cc2Cl)cc1 ZINC000095583409 562772893 /nfs/dbraw/zinc/77/28/93/562772893.db2.gz NZHIBENTKILBAZ-UHFFFAOYSA-N -1 0 529.953 5.687 1 0 KKAFRM Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)[N-]c3nccs3)cc2F)cc1 ZINC000095585179 562773545 /nfs/dbraw/zinc/77/35/45/562773545.db2.gz ITVNIXARCSDYDX-UHFFFAOYSA-N -1 0 516.473 5.434 1 0 KKAFRM Nc1ncccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2ncns2)cc1Cl ZINC000095585555 562773615 /nfs/dbraw/zinc/77/36/15/562773615.db2.gz HROGRDVSUSJOSC-UHFFFAOYSA-N -1 0 512.375 5.221 1 0 KKAFRM CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1 ZINC000095589292 562774907 /nfs/dbraw/zinc/77/49/07/562774907.db2.gz RRWJTXTYXJZLDH-UHFFFAOYSA-N -1 0 594.793 5.739 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCC(OCc3cccc(C(=O)[O-])c3)CC2)nc1 ZINC000095590181 562775198 /nfs/dbraw/zinc/77/51/98/562775198.db2.gz MHJXWXPFCKKOLB-UHFFFAOYSA-N -1 0 561.638 6.939 1 0 KKAFRM O=S(=O)([N-]c1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000095590535 562775329 /nfs/dbraw/zinc/77/53/29/562775329.db2.gz BZNKJBLTXSCEIN-UHFFFAOYSA-N -1 0 514.217 7.442 1 0 KKAFRM CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095591072 562775440 /nfs/dbraw/zinc/77/54/40/562775440.db2.gz RZMITOXFEZQFMT-UHFFFAOYSA-N -1 0 500.791 5.385 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3F)n2)cc1 ZINC000095594210 562776398 /nfs/dbraw/zinc/77/63/98/562776398.db2.gz NVPDIBBYSPFSSM-UHFFFAOYSA-N -1 0 559.446 6.124 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 ZINC000095595098 562776632 /nfs/dbraw/zinc/77/66/32/562776632.db2.gz LQPMZZIIOKLZQG-UHFFFAOYSA-N -1 0 579.864 6.469 1 0 KKAFRM CCCCCCn1c(-c2cccc(Cl)c2)nn(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c1=S ZINC000095598307 562777409 /nfs/dbraw/zinc/77/74/09/562777409.db2.gz KIABQQQPPDDASA-UHFFFAOYSA-N -1 0 639.197 6.582 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)NCCS(C)(=O)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095601025 562779428 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562787723 /nfs/dbraw/zinc/78/77/23/562787723.db2.gz MKWUVSRAYBDTHT-UHFFFAOYSA-N -1 0 776.399 8.300 1 0 KKAFRM COc1ccccc1C(=O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c1=O ZINC000096169963 562790931 /nfs/dbraw/zinc/79/09/31/562790931.db2.gz PSILYVZZSQVCIK-UHFFFAOYSA-N -1 0 606.660 5.465 1 0 KKAFRM COc1ccccc1C(=O)Cn1c(=O)c2cc(CC(F)(F)F)sc2n(Cc2c(F)cc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c1=O ZINC000096169970 562790943 /nfs/dbraw/zinc/79/09/43/562790943.db2.gz XVWCFIFSPQTCDI-UHFFFAOYSA-N -1 0 684.599 5.970 1 0 KKAFRM COc1ccc(C(=O)Cn2c(=O)c3cc(C4CC4)sc3n(Cc3c(F)cc(-c4ccccc4-c4nc(=O)o[n-]4)cc3F)c2=O)cc1 ZINC000096169975 562790974 /nfs/dbraw/zinc/79/09/74/562790974.db2.gz SSQWGDMKFPXMNW-UHFFFAOYSA-N -1 0 642.640 5.743 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1OC)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169993 562790984 /nfs/dbraw/zinc/79/09/84/562790984.db2.gz PMVBVHOZGKKRET-UHFFFAOYSA-N -1 0 624.675 5.158 1 0 KKAFRM CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)nn2)c(C)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096170542 562791137 /nfs/dbraw/zinc/79/11/37/562791137.db2.gz KIUOQZBTDJBMCI-FQEVSTJZSA-N -1 0 504.509 5.028 1 0 KKAFRM CC1(C)CC([C@@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000096170495 562791151 /nfs/dbraw/zinc/79/11/51/562791151.db2.gz FNEBFXHBMCLZJO-QHCPKHFHSA-N -1 0 515.536 5.080 1 0 KKAFRM COc1cc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])cc(OC)c1 ZINC000096171976 562791197 /nfs/dbraw/zinc/79/11/97/562791197.db2.gz ZZRFGBXJIKSHOY-XOVFCEDVSA-N -1 0 656.861 5.399 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269889 562793060 /nfs/dbraw/zinc/79/30/60/562793060.db2.gz TVHKXQSOYHVKFL-NGOKVRLYSA-N -1 0 570.635 5.386 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2cc(F)cc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(Cl)c1 ZINC000096269878 562793072 /nfs/dbraw/zinc/79/30/72/562793072.db2.gz JGMXYJRCSVVJHM-CLYVBNDRSA-N -1 0 577.026 5.423 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269886 562793078 /nfs/dbraw/zinc/79/30/78/562793078.db2.gz WVVQSZOLICVIIK-JIPXPUAJSA-N -1 0 570.635 5.386 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(C[C@H]3C(=O)[O-])CC4)cc2C2=CCCC2(C)C)c1 ZINC000096270303 562793130 /nfs/dbraw/zinc/79/31/30/562793130.db2.gz JATIUJDLIVNBMA-RYCFQHDISA-N -1 0 512.621 7.572 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(C[C@H]3C(=O)[O-])CC4)cc2[C@H]2CCCC2(C)C)c1 ZINC000096270315 562793206 /nfs/dbraw/zinc/79/32/06/562793206.db2.gz XPLWBHWPOUEOSJ-ZFQPXVTNSA-N -1 0 514.637 7.663 1 0 KKAFRM Cc1ccc(C2=NO[C@@](C)(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])C2)cc1 ZINC000096271100 562793693 /nfs/dbraw/zinc/79/36/93/562793693.db2.gz IPHBDGKKCSWXIW-RBISFHTESA-N -1 0 554.430 5.249 1 0 KKAFRM C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271144 562793706 /nfs/dbraw/zinc/79/37/06/562793706.db2.gz OAJHLAOVFHQCHI-RNCAPKPVSA-N -1 0 653.669 5.285 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271148 562793723 /nfs/dbraw/zinc/79/37/23/562793723.db2.gz ZSUBPYIGOCDCDV-CHQNGUEUSA-N -1 0 695.750 6.312 1 0 KKAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271149 562793732 /nfs/dbraw/zinc/79/37/32/562793732.db2.gz RRQXRUXGHNHRCW-GGAORHGYSA-N -1 0 534.546 5.194 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283804 562794995 /nfs/dbraw/zinc/79/49/95/562794995.db2.gz ZNHDWKVKKNMZAJ-QHCPKHFHSA-N -1 0 568.844 6.698 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283805 562795009 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CCCN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000096284648 562795252 /nfs/dbraw/zinc/79/52/52/562795252.db2.gz QTZZEHKPENEDRT-UHFFFAOYSA-N -1 0 654.654 6.468 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2)cc1 ZINC000096284693 562795271 /nfs/dbraw/zinc/79/52/71/562795271.db2.gz KRZWQEIUXNRABK-UHFFFAOYSA-N -1 0 626.775 6.871 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2OC(F)(F)F)cc1 ZINC000096284673 562795283 /nfs/dbraw/zinc/79/52/83/562795283.db2.gz IMZGLFOLYQXACQ-UHFFFAOYSA-N -1 0 710.771 7.769 1 0 KKAFRM O=C([O-])c1c(F)cccc1NC(=O)c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)sc1-c1ccccc1 ZINC000096285493 562795753 /nfs/dbraw/zinc/79/57/53/562795753.db2.gz RRAPURHGWWAMOB-BHVANESWSA-N -1 0 738.841 8.993 1 0 KKAFRM O=C([O-])c1cc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)ccc1Cl ZINC000096285483 562795764 /nfs/dbraw/zinc/79/57/64/562795764.db2.gz FBNXJOLCDQNHSC-QNGWXLTQSA-N -1 0 755.296 9.507 1 0 KKAFRM C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CCN(CCc2c[nH]cn2)C1=O)COS(=O)(=O)[O-] ZINC000096888405 562796696 /nfs/dbraw/zinc/79/66/96/562796696.db2.gz IAJOBCOCHZRJMA-PBXPFDNHSA-N -1 0 561.789 5.906 1 0 KKAFRM CCCCCC[C@H](CCCCCCCCCCC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)C[C@H]2O)C[C@H]1O ZINC000096903958 562798098 /nfs/dbraw/zinc/79/80/98/562798098.db2.gz RYXHLFDZFHDRHP-ATCRJJRPSA-N -1 0 560.769 5.065 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCC(=O)[O-])C3 ZINC000096906227 562798725 /nfs/dbraw/zinc/79/87/25/562798725.db2.gz JCPQXTDGHSARII-MQHHWTAESA-N -1 0 551.812 9.075 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ccncc2)cc1 ZINC000096909579 562799613 /nfs/dbraw/zinc/79/96/13/562799613.db2.gz WXHDVJAQEUALFX-MUUNZHRXSA-N -1 0 508.618 5.953 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCCN3CCOCC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935314 562804068 /nfs/dbraw/zinc/80/40/68/562804068.db2.gz SGTORJCNPYSWIC-UHFFFAOYSA-N -1 0 554.691 5.163 1 0 KKAFRM CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000098082786 562805316 /nfs/dbraw/zinc/80/53/16/562805316.db2.gz ONQVKTJEVCDNKH-AREMUKBSSA-N -1 0 509.599 6.751 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3ccc(Cl)cc3)c1)C1CC1)CCCCCC2 ZINC000100763717 562807671 /nfs/dbraw/zinc/80/76/71/562807671.db2.gz XHHYDBYLJJOWLO-DEOSSOPVSA-N -1 0 514.043 6.001 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3cccc(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000100764414 562807744 /nfs/dbraw/zinc/80/77/44/562807744.db2.gz FEGPWHLGQBDXBX-XMMPIXPASA-N -1 0 514.043 6.001 1 0 KKAFRM CCCCc1cccc([C@]2([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc32)c1 ZINC000101004632 562808649 /nfs/dbraw/zinc/80/86/49/562808649.db2.gz XIKMSNPORKHQQQ-FJQKOURKSA-N -1 0 618.656 5.766 1 0 KKAFRM C[C@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)c2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000101337549 562810354 /nfs/dbraw/zinc/81/03/54/562810354.db2.gz RJHMXYMCSIQMML-GDXASINISA-N -1 0 549.863 5.815 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c2ccc(OC(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101430888 562810645 /nfs/dbraw/zinc/81/06/45/562810645.db2.gz PYQIYKGYZCSOKU-LJAQVGFWSA-N -1 0 618.652 7.470 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101428840 562810671 /nfs/dbraw/zinc/81/06/71/562810671.db2.gz YFKUHGYJKLTZEL-LJAQVGFWSA-N -1 0 595.621 6.897 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101503187 562811058 /nfs/dbraw/zinc/81/10/58/562811058.db2.gz MQRNQDUYXZPWAN-LJAQVGFWSA-N -1 0 611.620 6.777 1 0 KKAFRM Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2Cc2ccccc2)c([S-])cc1Cl ZINC000101530857 562811258 /nfs/dbraw/zinc/81/12/58/562811258.db2.gz BBJAPEQDZMBFDH-UHFFFAOYSA-N -1 0 588.563 6.878 1 0 KKAFRM CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-] ZINC000101717997 562812041 /nfs/dbraw/zinc/81/20/41/562812041.db2.gz YFOBFUQOJMURSO-MASOLSOASA-N -1 0 551.721 5.634 1 0 KKAFRM COc1ccc(Cc2c(-c3ccc(C)cc3)n[nH]c(=O)c2-c2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000102915789 562813493 /nfs/dbraw/zinc/81/34/93/562813493.db2.gz DGPNAGOQMBQMMR-PMERELPUSA-N -1 0 540.623 5.879 1 0 KKAFRM CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@]4(C)[C@@H](C)C(=O)C=C([O-])[C@@H]4[C@]3(C)CC[C@@]2(C)[C@H]2CC(C)(C)CC[C@@]21C ZINC000103162291 562814615 /nfs/dbraw/zinc/81/46/15/562814615.db2.gz LGNUPYROIAIKBW-PZJJUSSYSA-N -1 0 514.747 6.150 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(O)cc1)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169271 562814701 /nfs/dbraw/zinc/81/47/01/562814701.db2.gz VIIJSIWRNSOCOO-NPWCAHBGSA-N -1 0 503.576 5.572 1 0 KKAFRM CCOC(=O)C(=Cc1cccc(OC)c1OC)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103170561 562814794 /nfs/dbraw/zinc/81/47/94/562814794.db2.gz YFCRBJZXZJOALR-LBKCIFGTSA-N -1 0 533.602 5.494 1 0 KKAFRM O=C1CCCCCCCCCC[C@H](NC(=O)[N-]S(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)CCCO1 ZINC000103175673 562815029 /nfs/dbraw/zinc/81/50/29/562815029.db2.gz NXFWLMJETMAGNV-AZGAKELHSA-N -1 0 542.783 6.074 1 0 KKAFRM CCOc1ccc(OCC)c(SC2=C([O-])C[C@](CSc3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000103213758 562816889 /nfs/dbraw/zinc/81/68/89/562816889.db2.gz YTTYAAGWMUDQCW-NDEPHWFRSA-N -1 0 508.661 6.980 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103214485 562816911 /nfs/dbraw/zinc/81/69/11/562816911.db2.gz RGYWXVTXVOTVKU-UHFFFAOYSA-N -1 0 582.690 5.180 1 0 KKAFRM CCOC(=O)C(=Cc1ccc(OC)cc1OC)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103215284 562817015 /nfs/dbraw/zinc/81/70/15/562817015.db2.gz LAUGQICWJQFAAM-MKWGYRPRSA-N -1 0 533.602 5.494 1 0 KKAFRM COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000103233040 562818407 /nfs/dbraw/zinc/81/84/07/562818407.db2.gz PYEAMMSYRJERMP-VWLOTQADSA-N -1 0 552.505 5.142 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)s2)NC1=S ZINC000103237148 562819010 /nfs/dbraw/zinc/81/90/10/562819010.db2.gz NIHACTGTTUABDH-TVNWYLLRSA-N -1 0 547.883 5.585 1 0 KKAFRM CC[C@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240745 562819473 /nfs/dbraw/zinc/81/94/73/562819473.db2.gz RLQULLBVISOPQL-SSEXGKCCSA-N -1 0 513.569 5.752 1 0 KKAFRM C[C@@]1(c2cc(F)cc(F)c2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240780 562819507 /nfs/dbraw/zinc/81/95/07/562819507.db2.gz PBKPNTYJZNMMQO-LJAQVGFWSA-N -1 0 535.522 5.640 1 0 KKAFRM CCCC[C@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240753 562819515 /nfs/dbraw/zinc/81/95/15/562819515.db2.gz FWBFUJQLOWGANX-JGCGQSQUSA-N -1 0 541.623 6.532 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O ZINC000103243835 562819695 /nfs/dbraw/zinc/81/96/95/562819695.db2.gz JHVUPAFRBHMUAB-GCMXZSHTSA-N -1 0 593.573 5.736 1 0 in-vitro KKAFRM CC[C@@H](CS(=O)(=O)C1CCC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243853 562819720 /nfs/dbraw/zinc/81/97/20/562819720.db2.gz DESXNNIXZPJORD-NUWWLQTNSA-N -1 0 566.547 6.278 1 0 KKAFRM CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243866 562819726 /nfs/dbraw/zinc/81/97/26/562819726.db2.gz CGHHPXBKIIKZHJ-HIJQLYNKSA-N -1 0 582.590 6.770 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2n1C ZINC000103263752 562821755 /nfs/dbraw/zinc/82/17/55/562821755.db2.gz KEDCDYJNIWOZOY-YTTGMZPUSA-N -1 0 544.695 7.968 1 0 KKAFRM CCCc1nn2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263768 562821817 /nfs/dbraw/zinc/82/18/17/562821817.db2.gz SXSCBQOACQHSSW-SSEXGKCCSA-N -1 0 531.656 7.124 1 0 KKAFRM COCCOCOc1cc(C)c(-c2ncc(/C=C/C(=O)[O-])nc2OC)cc1C12CC3CC(CC(C3)C1)C2 ZINC000103265873 562822211 /nfs/dbraw/zinc/82/22/11/562822211.db2.gz SHDUUVSJCVGBHW-SNAWJCMRSA-N -1 0 508.615 5.026 1 0 KKAFRM Cc1ccc(C[C@@H](NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(=O)[O-])cc1 ZINC000103281234 562823560 /nfs/dbraw/zinc/82/35/60/562823560.db2.gz FQVPNGKYWPHCTI-FPDSWTENSA-N -1 0 631.942 8.660 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC[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 ZINC000103296338 562824533 /nfs/dbraw/zinc/82/45/33/562824533.db2.gz YSNVQCLRFXMCCM-QWNSIINOSA-N -1 0 617.915 8.351 1 0 KKAFRM CSCC[C@H](NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000103296395 562824535 /nfs/dbraw/zinc/82/45/35/562824535.db2.gz KJDXPQJXTAUKNR-LPGNATSJSA-N -1 0 601.938 7.862 1 0 KKAFRM CC(C)CCN1[C@@H](C(F)(F)F)CCC[C@H]1c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)[O-])c1 ZINC000113915827 562826918 /nfs/dbraw/zinc/82/69/18/562826918.db2.gz IZWHTJXZKINZHW-GMQQYTKMSA-N -1 0 557.619 9.091 1 0 KKAFRM O=C([O-])c1cncc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1 ZINC000115371705 562828825 /nfs/dbraw/zinc/82/88/25/562828825.db2.gz SBCKIOLJRVQMFK-WOJBJXKFSA-N -1 0 555.845 8.123 1 0 KKAFRM O=C([O-])CNC(=O)c1ccc([C@@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000115372248 562828841 /nfs/dbraw/zinc/82/88/41/562828841.db2.gz YTQLUZBGWZQARS-FCHUYYIVSA-N -1 0 611.909 7.844 1 0 KKAFRM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(Br)c([O-])c(Br)c2)CC1 ZINC000118199410 562830197 /nfs/dbraw/zinc/83/01/97/562830197.db2.gz AQBFGOLGGWXZLK-UHFFFAOYSA-N -1 0 565.228 5.426 1 0 KKAFRM CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)[O-])[C@@]3(c4ccc(-c5cc(Cl)cc(Cl)c5)cc4)CCOC3)ccc2O1 ZINC000118585481 562830380 /nfs/dbraw/zinc/83/03/80/562830380.db2.gz OLXMFKAKXAAVKQ-LJAQVGFWSA-N -1 0 590.525 6.155 1 0 KKAFRM C[C@H](NC(=O)c1c(Br)sc(Br)c1Cc1cccc(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000118701592 562830488 /nfs/dbraw/zinc/83/04/88/562830488.db2.gz KMCFCSKMVIRYBI-NSHDSACASA-N -1 0 557.691 6.707 1 0 KKAFRM C[C@H](NC(=O)c1c(Cl)sc(Cl)c1Cc1cccc(C(F)(F)F)c1)c1ccc(C(=O)[O-])cc1 ZINC000118698447 562830495 /nfs/dbraw/zinc/83/04/95/562830495.db2.gz ASHWHAHRKQFQAR-NSHDSACASA-N -1 0 502.341 6.854 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(Cn2ccc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000118912156 562830803 /nfs/dbraw/zinc/83/08/03/562830803.db2.gz GLAOKVJBKVYORF-UHFFFAOYSA-N -1 0 508.525 5.966 1 0 KKAFRM Cc1cc2cc(Cl)ccc2n1Cc1ccc(-c2nccnc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000118907484 562830823 /nfs/dbraw/zinc/83/08/23/562830823.db2.gz RXXBTTGCFYIOAT-UHFFFAOYSA-N -1 0 556.997 6.928 1 0 KKAFRM CN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000136317120 562831167 /nfs/dbraw/zinc/83/11/67/562831167.db2.gz XUGNBLRFDYSRMX-NDEPHWFRSA-N -1 0 540.019 6.002 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(Cn2ccc3cc(F)ccc32)cc1)c1ccccc1C(F)(F)F ZINC000137226271 562831417 /nfs/dbraw/zinc/83/14/17/562831417.db2.gz ROJQOVLILNFYQA-UHFFFAOYSA-N -1 0 526.515 6.105 1 0 KKAFRM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3-c3ccccc3)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619175 562831490 /nfs/dbraw/zinc/83/14/90/562831490.db2.gz BLJDQTUQBFVYHN-UHSQPCAPSA-N -1 0 562.603 5.890 1 0 KKAFRM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3-c3ccccc3)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619347 562831529 /nfs/dbraw/zinc/83/15/29/562831529.db2.gz BLJDQTUQBFVYHN-GGXMVOPNSA-N -1 0 562.603 5.890 1 0 KKAFRM CC[C@H]1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(-c3ccc(OCC(C)(C)C(=O)[O-])nc3)cc2O1 ZINC000139390096 562832474 /nfs/dbraw/zinc/83/24/74/562832474.db2.gz ARVPCQBTINRJQD-IBGZPJMESA-N -1 0 527.980 6.240 1 0 KKAFRM Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@]3(O)CC[C@@H](C(=O)[O-])C(C)(C)C3)s2)c1 ZINC000141407277 562833590 /nfs/dbraw/zinc/83/35/90/562833590.db2.gz LDDBKIFZPGDEND-HJPURHCSSA-N -1 0 506.550 5.769 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000141902480 562833826 /nfs/dbraw/zinc/83/38/26/562833826.db2.gz QFYBIVGGJCSWBY-RUZDIDTESA-N -1 0 560.985 6.595 1 0 KKAFRM CCCc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)[O-])ccc54)s3)n2)c1 ZINC000142032261 562833928 /nfs/dbraw/zinc/83/39/28/562833928.db2.gz QBCYRLIFPWZAFG-NDEPHWFRSA-N -1 0 500.624 5.875 1 0 KKAFRM Cc1cc(Nc2cc(-c3ccsc3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142122001 562833973 /nfs/dbraw/zinc/83/39/73/562833973.db2.gz IQMBHECVSOAQBU-LJAQVGFWSA-N -1 0 540.670 6.651 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3C(F)(F)F)cc2)cn1 ZINC000145937542 562837811 /nfs/dbraw/zinc/83/78/11/562837811.db2.gz ZSMRNGDPTHNXOD-UHFFFAOYSA-N -1 0 621.965 7.923 1 0 KKAFRM Cc1c2ccc(-c3ccc(Cl)cc3)cc2oc1C(=O)N[C@@H](Cc1ccc(OCc2ccsc2)cc1)C(=O)[O-] ZINC000146509277 562838607 /nfs/dbraw/zinc/83/86/07/562838607.db2.gz UHFXHAMVFWEJNB-SANMLTNESA-N -1 0 546.044 7.128 1 0 KKAFRM C[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000146536898 562838703 /nfs/dbraw/zinc/83/87/03/562838703.db2.gz XNOZTIIHBPWVBB-DEADQCERSA-N -1 0 588.532 5.494 1 0 KKAFRM CCC[C@@H](c1ccccn1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000147028629 562839042 /nfs/dbraw/zinc/83/90/42/562839042.db2.gz RACLIYFAUNFBQY-SYBYNBCQSA-N -1 0 525.476 7.468 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cccc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147357757 562839262 /nfs/dbraw/zinc/83/92/62/562839262.db2.gz JNOOMJGFUMIRDK-YUDZBJCPSA-N -1 0 618.226 6.915 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147346465 562839284 /nfs/dbraw/zinc/83/92/84/562839284.db2.gz HJKJOOGZBWPJHY-ABAYTZJJSA-N -1 0 642.668 8.329 1 0 KKAFRM CCn1c(CCCc2ccc(-c3ncc([N-]S(=O)(=O)c4ccccc4)cn3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000147573404 562839443 /nfs/dbraw/zinc/83/94/43/562839443.db2.gz WBTMYBFIWRXGJB-UHFFFAOYSA-N -1 0 610.784 5.844 1 0 KKAFRM C[C@@H](Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)[O-])nc1 ZINC000148084934 562840191 /nfs/dbraw/zinc/84/01/91/562840191.db2.gz YEELKKZLRZFITJ-GOSISDBHSA-N -1 0 517.988 6.586 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(-c3ccccc3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000148179207 562840486 /nfs/dbraw/zinc/84/04/86/562840486.db2.gz BXMNNNWWYHFDLI-UHFFFAOYSA-N -1 0 596.514 8.206 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000148248293 562840727 /nfs/dbraw/zinc/84/07/27/562840727.db2.gz SINCGEYOGRFOGP-UHFFFAOYSA-N -1 0 554.861 7.192 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000148332441 562841052 /nfs/dbraw/zinc/84/10/52/562841052.db2.gz NZAGLVGZRBFYAM-UHFFFAOYSA-N -1 0 569.486 6.169 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(F)c2)cn1 ZINC000148406025 562841238 /nfs/dbraw/zinc/84/12/38/562841238.db2.gz RAGKIWSEXHHRTJ-UHFFFAOYSA-N -1 0 572.851 7.332 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)cn1 ZINC000148427544 562841270 /nfs/dbraw/zinc/84/12/70/562841270.db2.gz RNAKJWKHOGSFHT-UHFFFAOYSA-N -1 0 621.965 7.923 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3OC(F)(F)F)cc2)cn1 ZINC000148479406 562841413 /nfs/dbraw/zinc/84/14/13/562841413.db2.gz MKLWTVJSXKYKEU-UHFFFAOYSA-N -1 0 569.967 6.784 1 0 KKAFRM CC(C)(C)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)[O-])nc3)cc2)cc1 ZINC000148671726 562841608 /nfs/dbraw/zinc/84/16/08/562841608.db2.gz ZCNZAXQOYYMIRQ-UHFFFAOYSA-N -1 0 542.079 7.183 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)cc2)cc1 ZINC000148734935 562841696 /nfs/dbraw/zinc/84/16/96/562841696.db2.gz RNNUVFDEXIFTNE-UHFFFAOYSA-N -1 0 513.525 5.885 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(Sc4ccccc4)cc3)c(OCc3ccc(Sc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000150347724 562843221 /nfs/dbraw/zinc/84/32/21/562843221.db2.gz FPZUAGVEKQTOFY-SISPBFPDSA-N -1 0 836.456 13.828 1 0 KKAFRM O=C([O-])c1cc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000150523697 562843645 /nfs/dbraw/zinc/84/36/45/562843645.db2.gz FEWDQPJWASAIOG-UHFFFAOYSA-N -1 0 688.846 8.229 1 0 KKAFRM CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc4cccc(I)c4c3)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl ZINC000150531566 562843809 /nfs/dbraw/zinc/84/38/09/562843809.db2.gz ZCJXKCAZRTUQTM-UHFFFAOYSA-N -1 0 866.222 7.952 1 0 KKAFRM 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/CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150541665 562844215 /nfs/dbraw/zinc/84/42/15/562844215.db2.gz JTZZSQYMACOLNN-WALYAIIASA-N -1 0 749.956 5.254 1 0 KKAFRM CC[C@]1(C)C[C@@H](NC(=O)NC(=O)c2ccc(OC)cc2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1OC([O-])=NC(=O)c1ccc(OC)cc1 ZINC000150575210 562845269 /nfs/dbraw/zinc/84/52/69/562845269.db2.gz PLHSBVVWEPSOFL-HENVTSJASA-N -1 0 675.823 6.305 1 0 KKAFRM O=C(CS(=O)(=O)[N-]c1nc2ccc(C3CCCCC3)cc2s1)C1C(=O)N2c3ccc(C4CCCCC4)cc3SC2=NS1(=O)=O ZINC000150590324 562846123 /nfs/dbraw/zinc/84/61/23/562846123.db2.gz MRBUJILGMWHOQY-SOYKGTTHSA-N -1 0 672.876 6.741 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597120 562846773 /nfs/dbraw/zinc/84/67/73/562846773.db2.gz HTQBGFLFFQNJAC-UHFFFAOYSA-N -1 0 769.202 6.337 1 0 KKAFRM C=Cc1cc([C@@H](NC(=O)OC2CCCC2)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600001 562847078 /nfs/dbraw/zinc/84/70/78/562847078.db2.gz JCVFHJSSNRVJJK-PSXMRANNSA-N -1 0 815.827 8.074 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600960 562847213 /nfs/dbraw/zinc/84/72/13/562847213.db2.gz GLOZUFBHEVESCL-UMSFTDKQSA-N -1 0 803.816 7.930 1 0 KKAFRM CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1c1nc(N2CCC(C(=O)[O-])CC2)ncc1Cl ZINC000164449476 562849641 /nfs/dbraw/zinc/84/96/41/562849641.db2.gz HNMKNLHAXGACIV-FTJBHMTQSA-N -1 0 738.137 6.723 1 0 KKAFRM COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)[N-]S(=O)(=O)C4(C)CC4)NC3=O)cc(-c3nc(C(C)C)cs3)nc2c1Br ZINC000164923990 562849821 /nfs/dbraw/zinc/84/98/21/562849821.db2.gz PYRIXZIJCLZVTF-UFPOUHGLSA-N -1 0 817.829 5.645 1 0 KKAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CCC(CC(=O)[O-])CC5)c[nH]4)c3)cc2)c1 ZINC000168860635 562851561 /nfs/dbraw/zinc/85/15/61/562851561.db2.gz CPWVAJYMUPHYMT-UHFFFAOYSA-N -1 0 571.609 6.287 1 0 KKAFRM Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)[O-])c[nH]4)c3)cc2F)c1 ZINC000168900957 562851578 /nfs/dbraw/zinc/85/15/78/562851578.db2.gz HMDJTYGHYRJJQE-UHFFFAOYSA-N -1 0 531.544 5.555 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000168921235 562851608 /nfs/dbraw/zinc/85/16/08/562851608.db2.gz IQKKTWADEWOLLQ-SANMLTNESA-N -1 0 543.982 5.799 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000169298324 562852663 /nfs/dbraw/zinc/85/26/63/562852663.db2.gz HGMVESCHSMFWDD-RBMQWRMDSA-N -1 0 568.795 7.060 1 0 KKAFRM CC[C@@H](CN(c1ccc(F)cc1)S(=O)(=O)C1CC1)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307580 562853865 /nfs/dbraw/zinc/85/38/65/562853865.db2.gz SBXLFERAJBPODD-JYLYBSOGSA-N -1 0 649.568 6.394 1 0 KKAFRM COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308615 562854160 /nfs/dbraw/zinc/85/41/60/562854160.db2.gz WXYLJVFXODZVTM-UUWRZZSWSA-N -1 0 743.762 6.721 1 0 KKAFRM COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308614 562854161 /nfs/dbraw/zinc/85/41/61/562854161.db2.gz WXYLJVFXODZVTM-UMSFTDKQSA-N -1 0 743.762 6.721 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4ccco4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308629 562854174 /nfs/dbraw/zinc/85/41/74/562854174.db2.gz GAIJGFGAVFBMCH-SSEXGKCCSA-N -1 0 679.675 5.902 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169309661 562854454 /nfs/dbraw/zinc/85/44/54/562854454.db2.gz JXPSJUQXEZZOEN-AJRUUFPASA-N -1 0 681.679 7.585 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC1(C)CC1)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000169312970 562855528 /nfs/dbraw/zinc/85/55/28/562855528.db2.gz AEKFXNJTXXOQMH-MTABRHERSA-N -1 0 650.655 7.322 1 0 KKAFRM CC(=C\c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCCc2c[nH]c3ccccc23)n1)/C=C(/C)C(=O)OCC(=O)[O-] ZINC000169323628 562857112 /nfs/dbraw/zinc/85/71/12/562857112.db2.gz WFSUGPVDKSPJKC-FFDDMQONSA-N -1 0 677.823 7.604 1 0 KKAFRM Cc1ccc(Oc2ccc(NC(=O)c3cc(I)cc(I)c3[O-])cc2)cc1 ZINC000169328430 562858360 /nfs/dbraw/zinc/85/83/60/562858360.db2.gz UMTPZGIAWDSYGR-UHFFFAOYSA-N -1 0 571.152 5.954 1 0 KKAFRM Cn1nnc2ccc(Cn3ccc4ccc(-c5ccc6ccn(Cc7cccc(C(=O)[O-])c7)c6c5)cc43)cc21 ZINC000169348526 562862349 /nfs/dbraw/zinc/86/23/49/562862349.db2.gz GXERSTHLOAYXEE-UHFFFAOYSA-N -1 0 511.585 6.340 1 0 KKAFRM Cc1nc(-c2cccc(-c3ccnn3C)c2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)[O-] ZINC000169352746 562863223 /nfs/dbraw/zinc/86/32/23/562863223.db2.gz DHNQTIQANILCBL-PMERELPUSA-N -1 0 525.649 6.699 1 0 KKAFRM COc1ccccc1-c1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000169352853 562863262 /nfs/dbraw/zinc/86/32/62/562863262.db2.gz RKURKWRITPPKHJ-SANMLTNESA-N -1 0 519.001 5.513 1 0 KKAFRM Cc1cc(O)c2c3c(cc4c(c13)O[C@H](C)C4(C)C)C([O-])=C(N=c1c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c35)O[C@@H](C)C4(C)C)C2=O ZINC000169369336 562864706 /nfs/dbraw/zinc/86/47/06/562864706.db2.gz ZXZDKGDDONNRNS-ZKOFCECBSA-N -1 0 631.681 5.236 1 0 KKAFRM CC(C)C[C@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169700290 562867699 /nfs/dbraw/zinc/86/76/99/562867699.db2.gz DMRXQRCXRFKICE-OOWIMERYSA-N -1 0 588.576 7.159 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 ZINC000169702697 562868502 /nfs/dbraw/zinc/86/85/02/562868502.db2.gz ZRWLHJNYUSQDDV-UHFFFAOYSA-N -1 0 656.410 8.577 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 ZINC000169702704 562868544 /nfs/dbraw/zinc/86/85/44/562868544.db2.gz IVRRFYBPBKOHFY-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 ZINC000169702705 562868564 /nfs/dbraw/zinc/86/85/64/562868564.db2.gz UAZPERHGCRSLES-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM CCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)[O-])ccc54)s3)n2)c1 ZINC000169704414 562868938 /nfs/dbraw/zinc/86/89/38/562868938.db2.gz PXCUNDGCYQWEEF-HHHXNRCGSA-N -1 0 502.596 5.321 1 0 KKAFRM Cc1c2nc(-c3cc(C(C)C)ccn3)n(Cc3ccc(C(F)(F)F)cc3)c2c(N[C@H](C)C2CCC2)nc1C(=O)[O-] ZINC000169708084 562870199 /nfs/dbraw/zinc/87/01/99/562870199.db2.gz LXQKWZSKYQEDSA-GOSISDBHSA-N -1 0 551.613 7.291 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(C(F)(F)F)c3)cc12 ZINC000199475885 562872986 /nfs/dbraw/zinc/87/29/86/562872986.db2.gz YUJXUQACKWEUDN-FQEVSTJZSA-N -1 0 605.056 8.835 1 0 KKAFRM Cc1ccccc1S(=O)(=O)N1[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=CC[C@H]1c1ccc(Cl)cc1 ZINC000199890673 562873191 /nfs/dbraw/zinc/87/31/91/562873191.db2.gz AQBGQCQTFVOOMP-LADGPHEKSA-N -1 0 502.419 6.190 3 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202312851 562873622 /nfs/dbraw/zinc/87/36/22/562873622.db2.gz CVAIBYVVROUPSO-AREMUKBSSA-N -1 0 543.982 5.799 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2s1 ZINC000202310663 562873623 /nfs/dbraw/zinc/87/36/23/562873623.db2.gz KMRNYXKFLPEAAB-HHHXNRCGSA-N -1 0 542.056 7.226 1 0 KKAFRM O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nnn[n-]1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202312343 562873642 /nfs/dbraw/zinc/87/36/42/562873642.db2.gz RSPXBYVZDFZHKB-SANMLTNESA-N -1 0 550.022 5.461 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3cccc(Cl)c3)cc2C1 ZINC000202318228 562873673 /nfs/dbraw/zinc/87/36/73/562873673.db2.gz LRSWGBILXHRLEY-HKBQPEDESA-N -1 0 529.995 6.006 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1 ZINC000202320618 562873690 /nfs/dbraw/zinc/87/36/90/562873690.db2.gz RJKOUWKUQCNQLF-AREMUKBSSA-N -1 0 525.992 5.659 1 0 KKAFRM CC(C)Oc1ccc(-c2ccc3nc(C(=O)N[C@@H](Cc4ccc(OCc5ccccc5)cc4)C(=O)[O-])cn3c2)cc1 ZINC000202321801 562873692 /nfs/dbraw/zinc/87/36/92/562873692.db2.gz XJEXKJOKRAUHPR-LJAQVGFWSA-N -1 0 549.627 5.793 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2c(cccc2-c2ccc(Cl)cc2)n1 ZINC000202322266 562873735 /nfs/dbraw/zinc/87/37/35/562873735.db2.gz QNNXOTYDHGSEEP-RUZDIDTESA-N -1 0 525.992 5.659 1 0 KKAFRM O=S(=O)(Nc1ccc(OCCC2CCOCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnc(C(F)(F)F)nc1)C2 ZINC000203661430 562873990 /nfs/dbraw/zinc/87/39/90/562873990.db2.gz YJSIYSNPOBHQRI-UHFFFAOYSA-N -1 0 594.631 5.189 1 0 KKAFRM Cc1c2ccccc2c([C@H](C)O)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203772189 562874148 /nfs/dbraw/zinc/87/41/48/562874148.db2.gz GPZVBMITVVNIJI-KRWDZBQOSA-N -1 0 560.550 5.589 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NC2CCOCC2)cc1 ZINC000205053395 562874899 /nfs/dbraw/zinc/87/48/99/562874899.db2.gz YNSFCMCHDNGUFX-UHFFFAOYSA-N -1 0 553.467 7.058 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)CC1 ZINC000205284996 562875038 /nfs/dbraw/zinc/87/50/38/562875038.db2.gz HCNPUNDFLQNIOB-UHFFFAOYSA-N -1 0 592.664 6.604 1 0 KKAFRM CNc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncns4)cc3F)cc21 ZINC000205524832 562875545 /nfs/dbraw/zinc/87/55/45/562875545.db2.gz TZPJMFCRZHDJLH-UHFFFAOYSA-N -1 0 549.968 5.913 1 0 KKAFRM CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000205960819 562876008 /nfs/dbraw/zinc/87/60/08/562876008.db2.gz MDPNVRWNJRXPRJ-DEOSSOPVSA-N -1 0 544.695 8.115 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3cccc(C4CC4)n3)cc12 ZINC000205965894 562876011 /nfs/dbraw/zinc/87/60/11/562876011.db2.gz BZYJVCPCETVFBR-JOCHJYFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(S(C)(=O)=O)c3)cc12 ZINC000205966068 562876021 /nfs/dbraw/zinc/87/60/21/562876021.db2.gz ZMWATRMDQDIDQQ-UHFFFAOYSA-N -1 0 566.679 6.005 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NC[C@@H]3COc4ccccc4C3)cc12 ZINC000205975517 562876025 /nfs/dbraw/zinc/87/60/25/562876025.db2.gz MBGGATWAWMXBBU-RUZDIDTESA-N -1 0 544.651 6.653 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3ccccc3C(F)(F)F)cc12 ZINC000205975894 562876042 /nfs/dbraw/zinc/87/60/42/562876042.db2.gz FJOURLWFDVUCAQ-OAQYLSRUSA-N -1 0 570.611 8.181 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccccc3C)cc12 ZINC000205978099 562876050 /nfs/dbraw/zinc/87/60/50/562876050.db2.gz AZYMZXRTCQCPCR-UHFFFAOYSA-N -1 0 502.614 6.910 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc12 ZINC000205990378 562876094 /nfs/dbraw/zinc/87/60/94/562876094.db2.gz CFDHTBAARCMHPE-SANMLTNESA-N -1 0 546.623 6.241 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000205994930 562876097 /nfs/dbraw/zinc/87/60/97/562876097.db2.gz ROQFGMFKGGEJAT-JTHBVZDNSA-N -1 0 526.677 6.947 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12 ZINC000205994095 562876105 /nfs/dbraw/zinc/87/61/05/562876105.db2.gz KFKVWMMNAJUTDT-UNMCSNQZSA-N -1 0 563.094 7.090 1 0 KKAFRM COc1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1O[C@@H](C)C(=O)[O-] ZINC000205997375 562876110 /nfs/dbraw/zinc/87/61/10/562876110.db2.gz RNMNXSJKLFRDSO-GMAHTHKFSA-N -1 0 542.676 6.781 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000206004548 562876154 /nfs/dbraw/zinc/87/61/54/562876154.db2.gz RLURNYDKCPCKIH-DEOSSOPVSA-N -1 0 584.720 7.931 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])cc1 ZINC000209362317 562876863 /nfs/dbraw/zinc/87/68/63/562876863.db2.gz HDPGFIVFMYGKKG-UIOOFZCWSA-N -1 0 512.562 5.571 1 0 KKAFRM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000211329283 562877087 /nfs/dbraw/zinc/87/70/87/562877087.db2.gz ADPHLFYFNVTAAV-RCTKZWLUSA-N -1 0 708.837 5.824 1 0 KKAFRM CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000213420146 562877247 /nfs/dbraw/zinc/87/72/47/562877247.db2.gz VGFAMRABAXJUTN-LITSAYRRSA-N -1 0 514.666 5.537 1 0 KKAFRM COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3cc(C)ncn3)ccc21 ZINC000215514621 562877414 /nfs/dbraw/zinc/87/74/14/562877414.db2.gz YFOIZINSBOTVOO-UHFFFAOYSA-N -1 0 518.545 5.755 1 0 KKAFRM COc1cc(Oc2ccc(F)cc2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000215518972 562877418 /nfs/dbraw/zinc/87/74/18/562877418.db2.gz DLRPAOZFOHLTEW-UHFFFAOYSA-N -1 0 502.527 5.433 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)nc1 ZINC000218198584 562877872 /nfs/dbraw/zinc/87/78/72/562877872.db2.gz SKNKYLHAHZSKOG-XZWHSSHBSA-N -1 0 599.653 8.411 1 0 KKAFRM Cc1ccc(COc2cc3c(nc(CC4(C(=O)[O-])CCCC4)n3Cc3ccc(Br)cc3)c(F)c2)nc1 ZINC000218279876 562877880 /nfs/dbraw/zinc/87/78/80/562877880.db2.gz OQDDSLMLUNRSGB-UHFFFAOYSA-N -1 0 552.444 6.456 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)c(Cl)c4)c3c2)nc1 ZINC000218220364 562877899 /nfs/dbraw/zinc/87/78/99/562877899.db2.gz DDHSRTNNYQDVSG-FCHUYYIVSA-N -1 0 573.999 7.277 1 0 KKAFRM Cc1noc(C)c1-c1ccc(Cn2c(CC3(C(=O)[O-])CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1 ZINC000219261274 562878005 /nfs/dbraw/zinc/87/80/05/562878005.db2.gz FITPXNYNWCBMDJ-UHFFFAOYSA-N -1 0 586.692 7.671 1 0 KKAFRM CS(=O)(=O)Nc1ccc(-c2cccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cc1 ZINC000219248110 562878022 /nfs/dbraw/zinc/87/80/22/562878022.db2.gz DJJUFJBCYHTNRA-UHFFFAOYSA-N -1 0 660.796 7.438 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000219397969 562878171 /nfs/dbraw/zinc/87/81/71/562878171.db2.gz PKOYWFOHHRGCON-FCHUYYIVSA-N -1 0 576.516 7.394 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000219397679 562878175 /nfs/dbraw/zinc/87/81/75/562878175.db2.gz SBLFULGYUXMXLD-IZZNHLLZSA-N -1 0 570.487 7.333 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2cncnc2)cc1 ZINC000219380227 562878182 /nfs/dbraw/zinc/87/81/82/562878182.db2.gz GJNLEKAYYLZNSF-IZZNHLLZSA-N -1 0 575.694 7.089 1 0 KKAFRM CC[C@H](c1ccc(Br)cc1)n1c(CC(C)(C)C(=O)[O-])nc2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000219414316 562878197 /nfs/dbraw/zinc/87/81/97/562878197.db2.gz XVJJNGAWTLNPEP-HHHXNRCGSA-N -1 0 572.503 7.579 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000219463664 562878257 /nfs/dbraw/zinc/87/82/57/562878257.db2.gz PECRLJXEOBSRKB-UHFFFAOYSA-N -1 0 517.988 6.658 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccccc3)c2)CCCC1 ZINC000219522690 562878261 /nfs/dbraw/zinc/87/82/61/562878261.db2.gz VGUFHKHUUFRLDH-UHFFFAOYSA-N -1 0 567.689 8.066 1 0 KKAFRM COc1ncc(-c2cccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1 ZINC000219536547 562878267 /nfs/dbraw/zinc/87/82/67/562878267.db2.gz IKNIVJOWHDXWCN-UHFFFAOYSA-N -1 0 599.691 6.865 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(F)cc1C(F)(F)F ZINC000219598604 562878272 /nfs/dbraw/zinc/87/82/72/562878272.db2.gz ITPKJXMHSQJVGR-UHFFFAOYSA-N -1 0 512.311 8.307 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(Br)c1 ZINC000220523091 562878547 /nfs/dbraw/zinc/87/85/47/562878547.db2.gz WFULCDNDQJRLIA-UIOOFZCWSA-N -1 0 570.487 7.333 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)cc3)cc2F)[C@@H]1C(=O)[O-] ZINC000220524910 562878577 /nfs/dbraw/zinc/87/85/77/562878577.db2.gz BTSLLEFQHRTKFZ-JHOUSYSJSA-N -1 0 589.642 7.981 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@@H]2CN(CC(F)(F)F)CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220810532 562878641 /nfs/dbraw/zinc/87/86/41/562878641.db2.gz OWHQKZMRBOBBBR-HOCLYGCPSA-N -1 0 583.004 5.317 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(Cl)c2)c1 ZINC000221053803 562878721 /nfs/dbraw/zinc/87/87/21/562878721.db2.gz USDADYMNAUNSCL-UHFFFAOYSA-N -1 0 589.773 5.084 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000221567221 562879022 /nfs/dbraw/zinc/87/90/22/562879022.db2.gz RPNGLHUBZFJLRE-ZEQRLZLVSA-N -1 0 534.454 6.488 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n3Cc3ccc(Br)cc3)c(F)c2)nc1 ZINC000221568581 562879034 /nfs/dbraw/zinc/87/90/34/562879034.db2.gz PKDHPACNPULKAY-XZOQPEGZSA-N -1 0 538.417 6.093 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000221567973 562879043 /nfs/dbraw/zinc/87/90/43/562879043.db2.gz RISBHTOVLROQFG-FGZHOGPDSA-N -1 0 523.431 5.518 1 0 KKAFRM Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)[N-]S(=O)(=O)c3ccccc3)[nH]c21 ZINC000222415809 562879829 /nfs/dbraw/zinc/87/98/29/562879829.db2.gz JDLPWUZBGRFKAE-UHFFFAOYSA-N -1 0 588.129 6.939 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2cccn2-c2ccccc2)cc(C)c1Cl ZINC000222485703 562879832 /nfs/dbraw/zinc/87/98/32/562879832.db2.gz PTEYBPSGJZVDCD-UHFFFAOYSA-N -1 0 633.170 5.730 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2cccc(C(F)(F)F)c2)cc(C)c1Cl ZINC000222397211 562879837 /nfs/dbraw/zinc/87/98/37/562879837.db2.gz DXESQVROCCECGJ-UHFFFAOYSA-N -1 0 670.537 6.612 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(Oc2cc(NC(=O)N3CC[C@@](O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224460625 562880464 /nfs/dbraw/zinc/88/04/64/562880464.db2.gz DBQXXSHEVMMOHU-XIFFEERXSA-N -1 0 576.665 7.322 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(Oc2cc(NC(=O)N3CC[C@@](O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224467459 562880489 /nfs/dbraw/zinc/88/04/89/562880489.db2.gz AFNDMYLRRQXVOM-YTTGMZPUSA-N -1 0 562.638 6.931 1 0 KKAFRM COc1cc(-c2ccc(F)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225087440 562880695 /nfs/dbraw/zinc/88/06/95/562880695.db2.gz KBNACCSNBNOEOR-UHFFFAOYSA-N -1 0 500.555 5.616 1 0 KKAFRM COc1cc(-c2ccc(F)cc2F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225115308 562880725 /nfs/dbraw/zinc/88/07/25/562880725.db2.gz JBBLGLCAVJZSDM-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 ZINC000226016907 562880826 /nfs/dbraw/zinc/88/08/26/562880826.db2.gz DFFLXQIRNUPBJI-OALUTQOASA-N -1 0 588.424 6.905 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4Br)c3c2)n1 ZINC000226036717 562880885 /nfs/dbraw/zinc/88/08/85/562880885.db2.gz PLJRQFZWGMJFQU-RTWAWAEBSA-N -1 0 607.427 6.417 1 0 KKAFRM CC(C)c1ccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1 ZINC000226096094 562880928 /nfs/dbraw/zinc/88/09/28/562880928.db2.gz AXPFCMVVURLDTD-UHFFFAOYSA-N -1 0 609.770 9.190 1 0 KKAFRM Cn1cc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226105121 562880967 /nfs/dbraw/zinc/88/09/67/562880967.db2.gz QIKDEQCPRNKLDR-UHFFFAOYSA-N -1 0 545.643 6.266 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000226104872 562880983 /nfs/dbraw/zinc/88/09/83/562880983.db2.gz LOJXQYAPRKMMGK-UHFFFAOYSA-N -1 0 634.758 6.904 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226130277 562881022 /nfs/dbraw/zinc/88/10/22/562881022.db2.gz KJANJLBUQBOINS-UHFFFAOYSA-N -1 0 573.653 6.331 1 0 KKAFRM COc1ccc(-c2cccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1 ZINC000226137592 562881024 /nfs/dbraw/zinc/88/10/24/562881024.db2.gz BYLFOXPFVTZLDF-UHFFFAOYSA-N -1 0 572.665 6.936 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1C(F)(F)F ZINC000226129787 562881030 /nfs/dbraw/zinc/88/10/30/562881030.db2.gz WBUILVDTELMGAY-UHFFFAOYSA-N -1 0 666.700 8.489 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cnoc2)cc1)C(=O)[O-] ZINC000226124552 562881044 /nfs/dbraw/zinc/88/10/44/562881044.db2.gz IUDPPZSWAJORCY-UHFFFAOYSA-N -1 0 532.600 6.520 1 0 KKAFRM Cn1cc(C(=O)Nc2cc(F)c(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@H]3CC[C@H](C(=O)[O-])CC3)cc2Cl)c2ccccc21 ZINC000253677615 562882802 /nfs/dbraw/zinc/88/28/02/562882802.db2.gz AUVYSROPCXNISQ-VMXMFDLUSA-N -1 0 588.051 5.365 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000253684956 562882860 /nfs/dbraw/zinc/88/28/60/562882860.db2.gz HHNUIOMHIJPCQH-OZIUMOITSA-N -1 0 500.764 7.740 1 0 KKAFRM COc1ccc(/C=C\C(=O)[O-])c(OCc2cn(P(=O)(Oc3ccccc3)Oc3ccccc3)nn2)c1CC=C(C)C ZINC000299823955 562883163 /nfs/dbraw/zinc/88/31/63/562883163.db2.gz CKTSWIKSDWBIME-MNDPQUGUSA-N -1 0 575.558 6.586 1 0 KKAFRM Cc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccc(C)cc3)cc2)s1 ZINC000299824101 562883189 /nfs/dbraw/zinc/88/31/89/562883189.db2.gz KPHFWRFVPLFQJP-HSZRJFAPSA-N -1 0 536.704 6.293 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6cccc(F)c6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299826548 562883892 /nfs/dbraw/zinc/88/38/92/562883892.db2.gz GXWVHDWCOIJUPI-ABJCFRDYSA-N -1 0 676.910 9.725 1 0 KKAFRM CCCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299827176 562884066 /nfs/dbraw/zinc/88/40/66/562884066.db2.gz YIIVNLGOCABZSY-RIGRZHRLSA-N -1 0 824.965 5.686 1 0 KKAFRM COc1ccc(/C=C\C(=O)[O-])c(OCc2cn(-c3ccccc3I)nn2)c1CC=C(C)C ZINC000299828191 562884334 /nfs/dbraw/zinc/88/43/34/562884334.db2.gz LVRHLZMXAYZXHQ-RAXLEYEMSA-N -1 0 545.377 5.066 1 0 KKAFRM CCN(CC)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299828311 562884447 /nfs/dbraw/zinc/88/44/47/562884447.db2.gz MPFKILSCWXAHRA-GCMXZSHTSA-N -1 0 595.589 5.982 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NC2CC2)C2CC2)C1=O ZINC000299829249 562884787 /nfs/dbraw/zinc/88/47/87/562884787.db2.gz RCJDVAPEOLFXSI-YWCVFVGNSA-N -1 0 579.546 5.392 1 0 KKAFRM Cc1ccc2c(CC(=O)[O-])cn(-c3ccc(C(=O)NCCc4ccccc4)cc3CSC(C)(C)C)c2n1 ZINC000299830342 562885245 /nfs/dbraw/zinc/88/52/45/562885245.db2.gz WFPDPAGVOPGKSJ-UHFFFAOYSA-N -1 0 515.679 5.965 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])c(F)c4)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299830535 562885304 /nfs/dbraw/zinc/88/53/04/562885304.db2.gz INYZCRVUWSBQSR-NTCAYCPXSA-N -1 0 580.660 6.426 1 0 KKAFRM CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000299834047 562886361 /nfs/dbraw/zinc/88/63/61/562886361.db2.gz RCMWQGKXOQCPHM-GTPINHCMSA-N -1 0 529.600 5.715 1 0 KKAFRM CCN(C)S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C ZINC000299834323 562886433 /nfs/dbraw/zinc/88/64/33/562886433.db2.gz SHXYGCUDYSCVPN-HIJQLYNKSA-N -1 0 597.605 6.228 1 0 KKAFRM CC(C)(C)[C@@H](CS(=O)(=O)N1CCC(F)(F)CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299835505 562886883 /nfs/dbraw/zinc/88/68/83/562886883.db2.gz WVXWMSSQVOCDSP-QNYAKKFESA-N -1 0 659.623 7.007 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2ccc3ccccc3c2)c2ccc(C(=O)[O-])c(O)c2)c(C)c1 ZINC000299838375 562887862 /nfs/dbraw/zinc/88/78/62/562887862.db2.gz QGRAZDKZXADYFV-UHFFFAOYSA-N -1 0 546.645 5.023 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4Cl)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299839241 562888125 /nfs/dbraw/zinc/88/81/25/562888125.db2.gz SACPIFCPUHKFHD-RVDMUPIBSA-N -1 0 597.115 6.940 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000299839668 562888263 /nfs/dbraw/zinc/88/82/63/562888263.db2.gz SZCAYBZDOCDXPP-NRFANRHFSA-N -1 0 512.624 5.215 1 0 KKAFRM 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MKJZPLMZXLJTCF-LJQANCHMSA-N -1 0 509.461 5.942 1 0 KKAFRM CCC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000653740453 562910143 /nfs/dbraw/zinc/91/01/43/562910143.db2.gz OFWQXRRKNTZPHY-JOCHJYFZSA-N -1 0 560.122 5.968 1 0 KKAFRM Cc1cc(Oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3cc(C(=O)[O-])c(O)c4ccccc43)cc2)cc(C)c1Cl ZINC000653741214 562910236 /nfs/dbraw/zinc/91/02/36/562910236.db2.gz QWMLIWOCYWXRDD-UHFFFAOYSA-N -1 0 588.081 7.702 1 0 KKAFRM CCOc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653751550 562910698 /nfs/dbraw/zinc/91/06/98/562910698.db2.gz PERGYFHQWOPFRA-QHCPKHFHSA-N -1 0 547.655 6.690 1 0 KKAFRM CCCc1nc2c(cc(C(=O)Nc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653753050 562910793 /nfs/dbraw/zinc/91/07/93/562910793.db2.gz PTWFHEZPRLYXKX-UHFFFAOYSA-N -1 0 663.800 7.679 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653754297 562910821 /nfs/dbraw/zinc/91/08/21/562910821.db2.gz BXLBQHJYUPJUAV-UHFFFAOYSA-N -1 0 677.827 7.357 1 0 KKAFRM CC[C@@H](C)[C@H](NC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)n1CC)C(=O)[O-] ZINC000653793624 562912799 /nfs/dbraw/zinc/91/27/99/562912799.db2.gz BEOYYCCAKZZHCT-HRFSGMKKSA-N -1 0 526.718 6.146 1 0 KKAFRM CC[C@@H](C)[C@H](NC(=O)c1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)C(C)(C)C)c(C)c2)n1CC)C(=O)[O-] ZINC000653794560 562912947 /nfs/dbraw/zinc/91/29/47/562912947.db2.gz XVDLXGBGDRSWNJ-UIFDUCBYSA-N -1 0 528.734 5.937 1 0 KKAFRM O=C([O-])CN(Cc1cccc(-c2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000653795230 562912996 /nfs/dbraw/zinc/91/29/96/562912996.db2.gz GACAGLGOFWVWLR-UHFFFAOYSA-N -1 0 516.349 5.537 1 0 KKAFRM O=C([O-])Cn1cc(-c2cccc(NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)c2)nn1 ZINC000653831339 562914595 /nfs/dbraw/zinc/91/45/95/562914595.db2.gz RTCPXGYTFZSOAJ-PMERELPUSA-N -1 0 593.684 5.846 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2NC(=O)Cn2c(=O)c(NC(=O)NC(C)(C)C)nc(Cl)c2CCC2CCCCC2)cc1 ZINC000653844284 562915054 /nfs/dbraw/zinc/91/50/54/562915054.db2.gz INSPYDRYPRXECN-UHFFFAOYSA-N -1 0 685.247 5.395 1 0 KKAFRM C[C@H](CC(=O)[O-])NC(=O)c1ccc([C@@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000653847524 562915252 /nfs/dbraw/zinc/91/52/52/562915252.db2.gz PAYMGAZHYVJJLS-WOJBJXKFSA-N -1 0 578.540 8.024 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc32)n(CC(=O)Nc2cccc(S(=O)(=O)[N-]C(=O)c3ccc(C(F)(F)F)cc3)c2)c1=O ZINC000653847676 562915274 /nfs/dbraw/zinc/91/52/74/562915274.db2.gz XKIKRYXYVGILQM-UHFFFAOYSA-N -1 0 769.202 6.337 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc3)ccc2c1 ZINC000653853983 562915674 /nfs/dbraw/zinc/91/56/74/562915674.db2.gz KWLIKEXVUDOUFJ-WOJBJXKFSA-N -1 0 602.518 7.746 1 0 KKAFRM C=Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(NC(=O)Cn2c(CCC3CCCCC3)c(Cl)nc(NC(=O)NC(C)(C)C)c2=O)c1 ZINC000653856865 562915738 /nfs/dbraw/zinc/91/57/38/562915738.db2.gz SVFMPLCXLDWMBI-UHFFFAOYSA-N -1 0 765.255 6.749 1 0 KKAFRM CCCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653887471 562917012 /nfs/dbraw/zinc/91/70/12/562917012.db2.gz AWIJZJKQVBMQJN-LEAFIULHSA-N -1 0 550.560 5.028 1 0 KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H](O)CC[C@@H]2CC3 ZINC000085489107 565124964 /nfs/dbraw/zinc/12/49/64/565124964.db2.gz LSSYZJNHRMTUBP-NKMBNHNUSA-N -1 0 626.878 8.400 1 0 biogenic,in-vitro KKAFRM COc1cc(/C=C/C(=O)O[C@@H]2C[C@@]3(C)[C@@H](CC[C@@]4(C)[C@@H]3CC=C3[C@@H]5[C@@H](C)[C@@H](C)CC[C@]5(C(=O)[O-])CC[C@]34C)C(C)(C)[C@@H]2O)ccc1O ZINC000100783655 574412450 /nfs/dbraw/zinc/41/24/50/574412450.db2.gz QVWRWMJXTWVRCW-DFLYQZJBSA-N -1 0 648.881 8.039 1 0 endogenous,in-man KKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100783695 574412478 /nfs/dbraw/zinc/41/24/78/574412478.db2.gz GZQIINDHMUJEAM-LQBFXRMPSA-N -1 0 588.826 5.553 1 0 endogenous,in-man KKAFRM Cc1cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc(C)c1O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028757960 581092369 /nfs/dbraw/zinc/09/23/69/581092369.db2.gz IZOXZUFSJZRDLR-DHUJRADRSA-N -1 0 552.670 9.049 1 0 KKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)cnn1C)c1cccc(C(F)(F)F)c1 ZINC000095579618 541108061 /nfs/dbraw/zinc/10/80/61/541108061.db2.gz WKODFGZRSIFURU-GOSISDBHSA-N -1 0 549.549 7.199 1 0 KKAFRM CC(C)(O)C[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](C)(CCC(=O)[O-])[C@H](C(C)(C)O)CC[C@]23C)O1 ZINC000095911528 291907705 /nfs/dbraw/zinc/90/77/05/291907705.db2.gz FBYRRPFMGLGCME-FZLILZQGSA-N -1 0 506.768 6.586 1 0 biogenic,in-vitro KKAFRM CCCCCc1cc([C@@H]2Cc3cccc(c3)C[C@@H](C(=O)[O-])C/C=C\C[C@@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000103524796 291935754 /nfs/dbraw/zinc/93/57/54/291935754.db2.gz OBNXKPXOPWMPGT-JVHVSHGOSA-N -1 0 556.831 9.968 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@@]23CO[C@@]1(O)C[C@]1(O)C=CC[C@]4(CC[C@]56CCC[C@@]4(CC2)[C@@]5(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]26)[C@@H]31 ZINC000085530674 291939166 /nfs/dbraw/zinc/93/91/66/291939166.db2.gz GQTXGEGKVHOWKY-PJJGGUOBSA-N -1 0 566.823 7.247 1 0 biogenic,in-vitro KKAFRM CC[C@@H](C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000069482048 291943527 /nfs/dbraw/zinc/94/35/27/291943527.db2.gz KVXZSWTXYDUXID-GXYVFEDZSA-N -1 0 554.812 8.010 1 0 biogenic,in-vitro KKAFRM Cc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc(C(F)(F)F)c1 ZINC000261148821 551089379 /nfs/dbraw/zinc/08/93/79/551089379.db2.gz OLGWNKHCHXVJMX-NQHRYMMQSA-N -1 0 577.644 5.828 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cc2cn(-c3ccc(OC(F)(F)F)cc3)nc2C2CCCCC2)cc1 ZINC000036414957 551091031 /nfs/dbraw/zinc/09/10/31/551091031.db2.gz RGEIPFNQDIMRPC-UHFFFAOYSA-N -1 0 515.532 5.614 1 0 KKAFRM CSc1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000001489843 561676155 /nfs/dbraw/zinc/67/61/55/561676155.db2.gz QYKCSJNOQZFASB-IBGZPJMESA-N -1 0 503.407 5.393 1 0 KKAFRM Cc1c2cc(OCc3ccc(-c4ccccc4)cn3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535717 561676740 /nfs/dbraw/zinc/67/67/40/561676740.db2.gz BKEIFYFYOIQSIO-UHFFFAOYSA-N -1 0 539.075 7.946 1 0 KKAFRM CC(C)(C)c1ccc(C[C@@H]2CCCc3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c4ccc(F)cc4)nc32)cc1 ZINC000001534300 561676769 /nfs/dbraw/zinc/67/67/69/561676769.db2.gz YDUWEPGUGRYRGM-YRKDTLLESA-N -1 0 520.645 5.571 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccncc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535725 561676818 /nfs/dbraw/zinc/67/68/18/561676818.db2.gz UXAWVJZJVRJVPD-UHFFFAOYSA-N -1 0 537.125 7.861 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)[O-])c3)c3cc(OC(F)(F)F)ccc32)cc1 ZINC000001551623 561677575 /nfs/dbraw/zinc/67/75/75/561677575.db2.gz OFCWBJAYEIROGZ-KRWDZBQOSA-N -1 0 527.495 5.988 1 0 in-vitro KKAFRM COc1c(CC=C(C)C)c([O-])c([C@@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660722 561679229 /nfs/dbraw/zinc/67/92/29/561679229.db2.gz BAXWGCKHMROHKQ-CTNGQTDRSA-N -1 0 570.679 5.684 1 0 KKAFRM COC(=O)c1cc(C(=CCCCC(=O)[O-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001861926 561679843 /nfs/dbraw/zinc/67/98/43/561679843.db2.gz PVXVKVRDUPQFMT-UHFFFAOYSA-N -1 0 511.354 5.270 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2cc[nH]n2)c1OC ZINC000003799084 561682509 /nfs/dbraw/zinc/68/25/09/561682509.db2.gz AESKNIDTRUWFAG-SANMLTNESA-N -1 0 508.615 5.616 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000003816169 561682988 /nfs/dbraw/zinc/68/29/88/561682988.db2.gz FYFOJUSNDFLZLR-UHFFFAOYSA-N -1 0 518.614 5.165 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 ZINC000003827905 561683405 /nfs/dbraw/zinc/68/34/05/561683405.db2.gz ZNRZNAHHOIANAO-CCVNUDIWSA-N -1 0 529.681 7.294 1 0 KKAFRM O=C([O-])CCc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 ZINC000003915927 561684927 /nfs/dbraw/zinc/68/49/27/561684927.db2.gz NNOLAMDMDMSDDD-UHFFFAOYSA-N -1 0 558.679 5.628 1 0 KKAFRM COc1cccc(COc2cc(C(=O)[O-])cc(N3C[C@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1 ZINC000003916090 561684950 /nfs/dbraw/zinc/68/49/50/561684950.db2.gz UQHGEVKJBWBSGG-HSZRJFAPSA-N -1 0 531.605 5.823 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(Cl)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000003930113 561687244 /nfs/dbraw/zinc/68/72/44/561687244.db2.gz XWZNGPIAPMKVOC-NDEPHWFRSA-N -1 0 564.103 7.228 1 0 KKAFRM CC[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000003930687 561687411 /nfs/dbraw/zinc/68/74/11/561687411.db2.gz JCBSPQXPBDDSEZ-JIYROHSKSA-N -1 0 627.206 8.443 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(C(=O)[O-])cc1 ZINC000003940893 561689341 /nfs/dbraw/zinc/68/93/41/561689341.db2.gz NZTAZJDYGSXAMS-WUFINQPMSA-N -1 0 560.691 6.483 1 0 KKAFRM Cc1cccc(C)c1CS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000003942258 561689426 /nfs/dbraw/zinc/68/94/26/561689426.db2.gz YOFBEFNLUYVWRR-UHFFFAOYSA-N -1 0 705.320 9.085 1 0 in-vivo KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000002008069 561680543 /nfs/dbraw/zinc/68/05/43/561680543.db2.gz UGCIHMSPBNTSDQ-UHFFFAOYSA-N -1 0 553.172 8.233 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCOc3ccccc3)co2)cc1)c1cccnc1 ZINC000003950578 561690352 /nfs/dbraw/zinc/69/03/52/561690352.db2.gz UTAFETDONDFNBQ-XODNFHPESA-N -1 0 539.632 6.402 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2oc(-c3c(Cl)cccc3Cl)nc2c1)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000003950324 561690367 /nfs/dbraw/zinc/69/03/67/561690367.db2.gz NVSCTWCNVXBLQP-SFTDATJTSA-N -1 0 643.332 5.684 1 0 KKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3Cl)nc2c1 ZINC000003959834 561691084 /nfs/dbraw/zinc/69/10/84/561691084.db2.gz VIPCZCQIOPRTDP-ONNFQVAWSA-N -1 0 511.759 6.190 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005957659 561700702 /nfs/dbraw/zinc/70/07/02/561700702.db2.gz KQAYCLXEQVMWMJ-KYJUHHDHSA-N -1 0 633.742 5.368 1 0 KKAFRM CNc1ccc2oc(C[C@@H]3O[C@@]4(CC[C@H]3C)O[C@@H]([C@@H](C)C(=O)c3ccc[nH]3)[C@@H](C)C[C@H]4C)nc2c1C(=O)[O-] ZINC000008034879 561704254 /nfs/dbraw/zinc/70/42/54/561704254.db2.gz HIYAVKIYRIFSCZ-HARBLNSYSA-N -1 0 523.630 5.530 1 0 KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@@]12C ZINC000008681498 561707106 /nfs/dbraw/zinc/70/71/06/561707106.db2.gz SAOOBRUHTPONGX-AODVQFCHSA-N -1 0 536.709 7.083 1 0 KKAFRM CC1=C(C(=O)OCC(Br)(Br)Br)[C@H](c2ccc(Br)cc2)NC(=O)N1CCCC(=O)[O-] ZINC000008829528 561708528 /nfs/dbraw/zinc/70/85/28/561708528.db2.gz OEAMNEUXJUSHMC-HNNXBMFYSA-N -1 0 661.967 5.036 3 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1cc(OC)ccc1OC)O2 ZINC000013473417 561714320 /nfs/dbraw/zinc/71/43/20/561714320.db2.gz XNHPQQILQDYZFU-NDEPHWFRSA-N -1 0 504.535 5.632 1 0 KKAFRM O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCc2ccc(Cl)c(Cl)c2)C1=O ZINC000012358454 561710422 /nfs/dbraw/zinc/71/04/22/561710422.db2.gz LENUNWNTEHESMH-XMMPIXPASA-N -1 0 500.378 5.426 1 0 KKAFRM CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358493 561710538 /nfs/dbraw/zinc/71/05/38/561710538.db2.gz BYFIJPNXLIWWPM-AREMUKBSSA-N -1 0 507.608 6.312 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358498 561710569 /nfs/dbraw/zinc/71/05/69/561710569.db2.gz RHXBMPROSWDTQC-AREMUKBSSA-N -1 0 526.054 7.265 1 0 KKAFRM CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358499 561710580 /nfs/dbraw/zinc/71/05/80/561710580.db2.gz TVEAXARFLUXLEB-AREMUKBSSA-N -1 0 509.599 6.751 1 0 KKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(c3ccc(C(F)(F)F)cc3)CCCO2)C(=O)[O-])cc1 ZINC000013442285 561712758 /nfs/dbraw/zinc/71/27/58/561712758.db2.gz ZYJZNWWXHXUROK-HOFKKMOUSA-N -1 0 513.512 5.199 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCC(C)(C)C2=O)c1C ZINC000013492866 561716366 /nfs/dbraw/zinc/71/63/66/561716366.db2.gz XPBBDUYWSIZCNR-UHFFFAOYSA-N -1 0 520.611 5.173 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)C(C)C)c1C ZINC000013492864 561716382 /nfs/dbraw/zinc/71/63/82/561716382.db2.gz QGMUOSXKQHPOGD-UHFFFAOYSA-N -1 0 508.600 5.029 1 0 KKAFRM CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000013537369 561717989 /nfs/dbraw/zinc/71/79/89/561717989.db2.gz QZUYYCLWMJYSQX-GDLZYMKVSA-N -1 0 533.690 7.502 1 0 KKAFRM C/C(Cn1oc(=O)[n-]c1=O)=C(\C)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558137 561719236 /nfs/dbraw/zinc/71/92/36/561719236.db2.gz ILPASLFASFHBDC-PFONDFGASA-N -1 0 501.461 5.184 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCC[C@H](C)CCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013677982 561724314 /nfs/dbraw/zinc/72/43/14/561724314.db2.gz CLHNZVNBTRJSNX-QGZVFWFLSA-N -1 0 518.532 6.713 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2c[nH]cn2)c1OC ZINC000013740549 561726031 /nfs/dbraw/zinc/72/60/31/561726031.db2.gz CZEHYXIKXRRVEW-AREMUKBSSA-N -1 0 508.615 5.616 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2cscn2)c1OC ZINC000013740554 561726044 /nfs/dbraw/zinc/72/60/44/561726044.db2.gz PWBIFHFPTKIDON-AREMUKBSSA-N -1 0 525.667 6.350 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](c2ccccc2)C(C)C)c1 ZINC000013742363 561726235 /nfs/dbraw/zinc/72/62/35/561726235.db2.gz APYSYJJDMBAUHR-HOXPESRVSA-N -1 0 510.634 7.172 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000013742352 561726244 /nfs/dbraw/zinc/72/62/44/561726244.db2.gz LTUDUTNTTAUNEO-BSYVCWPDSA-N -1 0 524.661 7.273 1 0 KKAFRM CC(C)(C)OC(=O)NCCC(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744222 561726462 /nfs/dbraw/zinc/72/64/62/561726462.db2.gz JGEWEYMENDBLHO-XMMPIXPASA-N -1 0 510.631 5.400 1 0 KKAFRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744243 561726607 /nfs/dbraw/zinc/72/66/07/561726607.db2.gz LZHHKCZHWRYWOD-UKILVPOCSA-N -1 0 536.669 5.884 1 0 KKAFRM Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1 ZINC000013747525 561727059 /nfs/dbraw/zinc/72/70/59/561727059.db2.gz GLPWPJNAELORKZ-UHFFFAOYSA-N -1 0 503.705 7.249 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000013756178 561727109 /nfs/dbraw/zinc/72/71/09/561727109.db2.gz RIIGDQOKPPYLKG-MFMCTBQISA-N -1 0 503.646 6.734 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](c2ccccc2)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000013756175 561727120 /nfs/dbraw/zinc/72/71/20/561727120.db2.gz RIIGDQOKPPYLKG-PQHLKRTFSA-N -1 0 503.646 6.734 1 0 KKAFRM CCCC[C@@H](CCC)n1ccc2cc(/C(=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])CC)ccc21 ZINC000013760645 561727649 /nfs/dbraw/zinc/72/76/49/561727649.db2.gz NVMYVXFONNDJFW-DOASYWNOSA-N -1 0 504.671 7.848 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOC[C@@H]3CCCCO3)co2)cc1)c1cccnc1 ZINC000013782525 561729702 /nfs/dbraw/zinc/72/97/02/561729702.db2.gz FACJEJPQFUXMOA-QOLFIKNVSA-N -1 0 533.625 5.129 1 0 KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@@]12C ZINC000013783762 561729927 /nfs/dbraw/zinc/72/99/27/561729927.db2.gz SAOOBRUHTPONGX-FVPQMGCPSA-N -1 0 536.709 7.083 1 0 KKAFRM COc1ccc(COC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000013799591 561730354 /nfs/dbraw/zinc/73/03/54/561730354.db2.gz SBPQWNOPLSRSMS-MHZLTWQESA-N -1 0 514.578 5.103 1 0 KKAFRM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCCc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)n1 ZINC000013799601 561730429 /nfs/dbraw/zinc/73/04/29/561730429.db2.gz PMUCOFCFESYTCH-SANMLTNESA-N -1 0 502.998 5.782 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(N3CCCC3)c2C)c1Cl ZINC000013801625 561730671 /nfs/dbraw/zinc/73/06/71/561730671.db2.gz QTZIGKQAFRUAHN-UHFFFAOYSA-N -1 0 509.053 5.276 1 0 KKAFRM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000014943350 561741414 /nfs/dbraw/zinc/74/14/14/561741414.db2.gz SEUIMKBYBKTVTL-KCWXNJEJSA-N -1 0 564.103 7.078 1 0 KKAFRM CCCSc1nnc(CCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825601 561732832 /nfs/dbraw/zinc/73/28/32/561732832.db2.gz FEVRLAMZPQTLNH-UHFFFAOYSA-N -1 0 500.624 5.564 1 0 KKAFRM CCCCc1nnc(SCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825621 561732977 /nfs/dbraw/zinc/73/29/77/561732977.db2.gz LDAJARNJKWPMIX-UHFFFAOYSA-N -1 0 514.651 5.954 1 0 KKAFRM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000014943349 561741496 /nfs/dbraw/zinc/74/14/96/561741496.db2.gz SEUIMKBYBKTVTL-PBBNMVCDSA-N -1 0 564.103 7.078 1 0 KKAFRM CCCCn1c2ccc(OCc3ccc(-c4ccccc4)cn3)c3c2c(c1CC(C)(C)C(=O)[O-])S[C@@H](C)C3 ZINC000013832966 561733703 /nfs/dbraw/zinc/73/37/03/561733703.db2.gz VMSIESGTKJKYPT-NRFANRHFSA-N -1 0 528.718 7.772 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)c3ccccc3)nc2/C=C/C(=O)[O-])cc1 ZINC000013833523 561733883 /nfs/dbraw/zinc/73/38/83/561733883.db2.gz TVIQQYHCTWKNSI-CXPWUUPZSA-N -1 0 521.679 6.458 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1cccc3ccccc31)CCC2 ZINC000013834014 561734091 /nfs/dbraw/zinc/73/40/91/561734091.db2.gz OMVGOHWOVIXDSC-UORIYQOSSA-N -1 0 514.597 5.427 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000014115554 561736688 /nfs/dbraw/zinc/73/66/88/561736688.db2.gz COGNYBZZFHGBOC-MUUNZHRXSA-N -1 0 543.541 8.078 1 0 KKAFRM Cc1cccc(C)c1S(=O)(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000014943425 561741685 /nfs/dbraw/zinc/74/16/85/561741685.db2.gz IGPFSCHANMGPFR-VWLOTQADSA-N -1 0 507.652 5.964 1 0 KKAFRM CCCCOc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000014943420 561741743 /nfs/dbraw/zinc/74/17/43/561741743.db2.gz TYICRGMXQPUREK-MUUNZHRXSA-N -1 0 551.705 6.526 1 0 KKAFRM CC(C)(C)c1ccc(Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)[O-])n3Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000014209723 561737813 /nfs/dbraw/zinc/73/78/13/561737813.db2.gz UVJRXZAXZLGJRX-UHFFFAOYSA-N -1 0 550.702 9.763 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@@](=O)([O-])CCCCN1Cc2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000014276495 561738909 /nfs/dbraw/zinc/73/89/09/561738909.db2.gz CIARJCUCRKNXEE-PPTMTGTBSA-N -1 0 617.727 6.112 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4c(cccc4C(F)(F)F)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952812 561746425 /nfs/dbraw/zinc/74/64/25/561746425.db2.gz FJYBXGOSBILOMX-FPOVZHCZSA-N -1 0 571.606 5.478 1 0 KKAFRM COc1cnn(C2CCCCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000014962220 561748689 /nfs/dbraw/zinc/74/86/89/561748689.db2.gz DBJXGLINUURUNI-NRFANRHFSA-N -1 0 544.435 5.157 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1C ZINC000014963306 561748986 /nfs/dbraw/zinc/74/89/86/561748986.db2.gz POFWSMHHXSOAAJ-OAQYLSRUSA-N -1 0 525.605 6.103 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3ccccc3Br)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963482 561749048 /nfs/dbraw/zinc/74/90/48/561749048.db2.gz LNDFVVBHHOCIJG-JOCHJYFZSA-N -1 0 544.232 6.397 1 0 KKAFRM COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1Cl ZINC000014966010 561749834 /nfs/dbraw/zinc/74/98/34/561749834.db2.gz AZWIIFCIAADKFM-PMACEKPBSA-N -1 0 555.990 5.251 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)Nc3ccccc3)c2)c(Br)c1 ZINC000014969310 561750520 /nfs/dbraw/zinc/75/05/20/561750520.db2.gz QEDNCYVOSFGOAX-UHFFFAOYSA-N -1 0 521.161 5.589 1 0 KKAFRM O=C([O-])c1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972469 561751486 /nfs/dbraw/zinc/75/14/86/561751486.db2.gz NDCQPJCNZBQYAO-UHFFFAOYSA-N -1 0 527.498 7.429 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(C=O)c(CC)nc2CCC)c(C)c1 ZINC000026152481 561767787 /nfs/dbraw/zinc/76/77/87/561767787.db2.gz IJCQWWVYWALTPS-UHFFFAOYSA-N -1 0 525.671 5.449 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2c(C)cccc2C)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025987900 561764349 /nfs/dbraw/zinc/76/43/49/561764349.db2.gz RQQIQUQRTVOJTM-FULLSBAXSA-N -1 0 522.730 6.077 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc([S@](C)=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025987932 561764374 /nfs/dbraw/zinc/76/43/74/561764374.db2.gz VVFWIKQAXZHMNQ-LUGSQWBHSA-N -1 0 556.769 5.198 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)C[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000025989537 561764578 /nfs/dbraw/zinc/76/45/78/561764578.db2.gz OOIUXDQSIJNJIF-FATZWSQISA-N -1 0 532.656 6.322 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(OC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025990439 561764693 /nfs/dbraw/zinc/76/46/93/561764693.db2.gz FAJSWDUTNDYTOS-CMTIAEDTSA-N -1 0 524.702 5.469 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cc(-c4ccc5ccccc5c4)ccc3c2O)cc1 ZINC000026005754 561765514 /nfs/dbraw/zinc/76/55/14/561765514.db2.gz PVXDUPRKROYCSC-UHFFFAOYSA-N -1 0 564.638 7.523 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cc(-c4cc5ccccc5s4)ccc3c2O)cc1 ZINC000026006828 561765591 /nfs/dbraw/zinc/76/55/91/561765591.db2.gz GMOUSMQVYSYGJZ-UHFFFAOYSA-N -1 0 570.667 7.584 1 0 KKAFRM O=C([O-])C[C@@H](C(=O)[O-])[NH+](C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026147037 561767338 /nfs/dbraw/zinc/76/73/38/561767338.db2.gz MSXUEYORHIUGHU-YLPNLISGSA-N -1 0 549.623 7.228 1 0 KKAFRM CCc1cccc(NC(=O)[C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)c1 ZINC000026172818 561770268 /nfs/dbraw/zinc/77/02/68/561770268.db2.gz WTAGIESHCYGBPN-MHZLTWQESA-N -1 0 500.639 5.716 1 0 KKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc(OCc3ccccc3)cc1)=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2 ZINC000026174616 561770631 /nfs/dbraw/zinc/77/06/31/561770631.db2.gz QJCMOVRIHPFGSP-YTTGMZPUSA-N -1 0 536.580 6.802 1 0 KKAFRM CCCCCC[C@H](Oc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000026179793 561771473 /nfs/dbraw/zinc/77/14/73/561771473.db2.gz YFBXBYGXHKOXOG-MHZLTWQESA-N -1 0 571.501 7.221 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000026180935 561771764 /nfs/dbraw/zinc/77/17/64/561771764.db2.gz XOHMQLINSWIUKO-PMERELPUSA-N -1 0 555.719 6.144 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCCC1)C(=O)[O-] ZINC000026392008 561786027 /nfs/dbraw/zinc/78/60/27/561786027.db2.gz ZYABEFSJBSSQOX-BBWNBJTJSA-N -1 0 616.203 5.140 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(Br)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026395283 561786625 /nfs/dbraw/zinc/78/66/25/561786625.db2.gz BOXSOXSFZRZIAF-LMSSTIIKSA-N -1 0 627.560 6.336 1 0 KKAFRM CCCCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026395047 561786699 /nfs/dbraw/zinc/78/66/99/561786699.db2.gz SKJOWRKZHPAFFY-SGASDGEISA-N -1 0 676.697 5.885 1 0 KKAFRM COc1c2ccoc2c(OC)c(OCc2ccc(COc3c(OC)c4occc4c(OC)c3C(C)=O)c(C(=O)[O-])c2)c1C(C)=O ZINC000026398749 561787767 /nfs/dbraw/zinc/78/77/67/561787767.db2.gz BRBOOKZIDBWXKB-UHFFFAOYSA-N -1 0 618.591 6.475 1 0 KKAFRM CCc1ccccc1Cc1ccc(C[P@](=O)([O-])C[C@H](CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 ZINC000026402271 561788638 /nfs/dbraw/zinc/78/86/38/561788638.db2.gz WALHBIOGMPBGKI-IOWSJCHKSA-N -1 0 576.718 6.136 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1sccc1Br ZINC000026499892 561795136 /nfs/dbraw/zinc/79/51/36/561795136.db2.gz CZJLOZAMFWJWSU-INIZCTEOSA-N -1 0 542.238 5.495 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)Cc3cccc4ccccc43)c2=O)cc1 ZINC000026480478 561791659 /nfs/dbraw/zinc/79/16/59/561791659.db2.gz ROCLWJSLVGHWTI-XIFFEERXSA-N -1 0 645.756 5.638 1 0 KKAFRM COc1ccc(F)cc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026482418 561791846 /nfs/dbraw/zinc/79/18/46/561791846.db2.gz SHJKQMDVCMJGQZ-YWEHKCAJSA-N -1 0 609.503 5.684 1 0 KKAFRM CSCCCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026494936 561794140 /nfs/dbraw/zinc/79/41/40/561794140.db2.gz NINDZASVWFCXLL-QFIPXVFZSA-N -1 0 551.536 6.451 1 0 KKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OCCCc3nn[nH]n3)c2c1 ZINC000026497597 561794516 /nfs/dbraw/zinc/79/45/16/561794516.db2.gz QHJPAUGGHJGDNY-LJQANCHMSA-N -1 0 518.618 5.067 1 0 KKAFRM CCCc1nc(CN2CCN(c3ccccc3Cl)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026375699 561781733 /nfs/dbraw/zinc/78/17/33/561781733.db2.gz LAUYLCNTECMFDS-UHFFFAOYSA-N -1 0 597.123 5.405 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000026501739 561795643 /nfs/dbraw/zinc/79/56/43/561795643.db2.gz DGHKMKAEDKIXPQ-IBGZPJMESA-N -1 0 559.755 6.344 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507706 561796830 /nfs/dbraw/zinc/79/68/30/561796830.db2.gz OFNKSFVKBAHXFD-XZWHSSHBSA-N -1 0 588.745 7.263 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)COCc1ccccc1 ZINC000026576338 561800067 /nfs/dbraw/zinc/80/00/67/561800067.db2.gz SFORRVNMTYAPLQ-AQMGKWKNSA-N -1 0 708.796 5.492 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc(CCC(=O)[O-])cs2)cc1 ZINC000026576275 561800093 /nfs/dbraw/zinc/80/00/93/561800093.db2.gz YOFYASSLUASIEF-QHCPKHFHSA-N -1 0 508.644 5.559 1 0 KKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1CC12CC3CC(CC(C3)C1)C2 ZINC000026576702 561800502 /nfs/dbraw/zinc/80/05/02/561800502.db2.gz ZHSIKZZTRLZNEK-UHFFFAOYSA-N -1 0 505.014 6.438 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3F)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026655388 561809207 /nfs/dbraw/zinc/80/92/07/561809207.db2.gz QLSFJHYLUVSHEA-IGKIAQTJSA-N -1 0 579.477 5.155 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2cc(-c3ccccc3C(=O)[O-])on2)cc1 ZINC000026578009 561802637 /nfs/dbraw/zinc/80/26/37/561802637.db2.gz CTSFOHGRWLYNFE-SANMLTNESA-N -1 0 540.620 6.438 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026579081 561804040 /nfs/dbraw/zinc/80/40/40/561804040.db2.gz LHVGXRIIQBVWQU-DCCHFUKUSA-N -1 0 680.742 5.695 1 0 KKAFRM CC(=CCc1ccc2cc(OC[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1)C1SC(=O)N=C1[O-] ZINC000026657803 561809834 /nfs/dbraw/zinc/80/98/34/561809834.db2.gz OBOGFRQHGMOQCM-QYIOYSLNSA-N -1 0 531.674 6.823 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(CC2CCCCC2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667917 561811525 /nfs/dbraw/zinc/81/15/25/561811525.db2.gz RDSIBGPOQGMQJC-HSZRJFAPSA-N -1 0 568.783 8.553 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccccn2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667913 561811562 /nfs/dbraw/zinc/81/15/62/561811562.db2.gz DJOHEBROURTEMK-QFIPXVFZSA-N -1 0 563.723 7.416 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCC(C)(C)C(=O)[O-])c3S1 ZINC000026670296 561812181 /nfs/dbraw/zinc/81/21/81/561812181.db2.gz NVXSCEQQPSUNQJ-HSZRJFAPSA-N -1 0 611.207 9.064 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000026670158 561812210 /nfs/dbraw/zinc/81/22/10/561812210.db2.gz PGOLWKTUHWHYJS-HMYZUHDZSA-N -1 0 557.691 5.222 1 0 in-vivo KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026673529 561813093 /nfs/dbraw/zinc/81/30/93/561813093.db2.gz NCCODGOBVZOLFU-YVQUNOQASA-N -1 0 557.691 5.176 1 0 KKAFRM CCCCN(C)C(=O)CCCCCC/C=C\CC[C@@H](c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)[O-])cc1C ZINC000026673374 561813121 /nfs/dbraw/zinc/81/31/21/561813121.db2.gz HGCHTOCFDDIWOI-JTSHEJIMSA-N -1 0 579.822 8.663 1 0 KKAFRM COc1ccccc1O[C@H](C(=O)[O-])[C@@]1(c2ccccc2)NCC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000026674457 561813537 /nfs/dbraw/zinc/81/35/37/561813537.db2.gz UFFWCFPJRRIUKB-VEEOACQBSA-N -1 0 577.464 5.914 1 0 KKAFRM CCCCN(C)C(=O)CCCCCCCCCC[C@H](c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)[O-])cc1C ZINC000026729769 561816634 /nfs/dbraw/zinc/81/66/34/561816634.db2.gz VURXPVGLFFQSLT-WJOKGBTCSA-N -1 0 581.838 8.887 1 0 KKAFRM COc1ccc(CCOC(c2ccc(C)cc2)(c2ccc(C)cc2)[C@@H](Oc2nc3c(c(OC)n2)COC3)C(=O)[O-])cc1 ZINC000026826213 561821943 /nfs/dbraw/zinc/82/19/43/561821943.db2.gz TZPUDTSXRNOQNK-LJAQVGFWSA-N -1 0 570.642 5.176 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](C)c2ccc3ccccc3c2)c1 ZINC000026742558 561818311 /nfs/dbraw/zinc/81/83/11/561818311.db2.gz WMJVTMBHMATMEG-GWKWPMJISA-N -1 0 532.640 7.689 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@H]4CC[C@@]3(C)[C@H]12 ZINC000026743676 561818541 /nfs/dbraw/zinc/81/85/41/561818541.db2.gz FILHRDIXAYLUHH-XTURJDPMSA-N -1 0 540.697 5.665 1 0 in-vivo KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000026745956 561818899 /nfs/dbraw/zinc/81/88/99/561818899.db2.gz YVASBPXCJNYHHH-KFEGCPKCSA-N -1 0 545.639 6.960 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@H]2[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000026823041 561821451 /nfs/dbraw/zinc/82/14/51/561821451.db2.gz UCTXVHZMOAZHBQ-LHHUKBANSA-N -1 0 598.744 5.962 1 0 KKAFRM CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@]4(C)[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)[O-])[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835551 561824276 /nfs/dbraw/zinc/82/42/76/561824276.db2.gz GRDNOWYVDAPYNQ-BCJYFOAVSA-N -1 0 544.729 6.087 1 0 KKAFRM CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(CC)c2c1 ZINC000026839045 561825171 /nfs/dbraw/zinc/82/51/71/561825171.db2.gz CEIYFJPCTKRRFW-UHFFFAOYSA-N -1 0 560.598 5.707 1 0 KKAFRM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000026940634 561828074 /nfs/dbraw/zinc/82/80/74/561828074.db2.gz XPZJPDBDXOBEGK-OIFRRMEBSA-N -1 0 633.738 5.968 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026955506 561829216 /nfs/dbraw/zinc/82/92/16/561829216.db2.gz PAAGIBSDBBUEHQ-WJVKFTHGSA-N -1 0 546.840 9.277 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000026959170 561829529 /nfs/dbraw/zinc/82/95/29/561829529.db2.gz DTQSORRPTAWCFK-VXMNRCMCSA-N -1 0 702.833 5.877 1 0 KKAFRM COc1cccc(-c2ccc3oc(-c4ccc(OC)c(N5C(=O)c6ccc(C(=O)[O-])cc6C5=O)c4)nc3c2)c1 ZINC000026976914 561830899 /nfs/dbraw/zinc/83/08/99/561830899.db2.gz HLMMAOGFLJMZTK-UHFFFAOYSA-N -1 0 520.497 5.678 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCC(=O)NCc1ccccc1)C(=O)Nc1ccccc1 ZINC000026977243 561831053 /nfs/dbraw/zinc/83/10/53/561831053.db2.gz FUWKALSZHXSYKK-DGPALRBDSA-N -1 0 591.689 5.382 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000026980162 561831280 /nfs/dbraw/zinc/83/12/80/561831280.db2.gz AYKWMGZBLRUSIJ-BHYZAODMSA-N -1 0 619.743 5.815 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026981176 561831358 /nfs/dbraw/zinc/83/13/58/561831358.db2.gz LKVNSRMVOTVCMB-UHFFFAOYSA-N -1 0 574.467 6.568 1 0 KKAFRM CC(CC(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026988278 561832297 /nfs/dbraw/zinc/83/22/97/561832297.db2.gz DFQBFDZMKCGSNQ-UHFFFAOYSA-N -1 0 554.646 7.722 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(F)c(Cl)c3)ccc2o1 ZINC000026990068 561832355 /nfs/dbraw/zinc/83/23/55/561832355.db2.gz GVNIUHYVSYTNMA-UHFFFAOYSA-N -1 0 585.975 6.511 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(N(C)C)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026993120 561832745 /nfs/dbraw/zinc/83/27/45/561832745.db2.gz XMGUQHOUZUGVOE-XUTLUUPISA-N -1 0 548.749 7.508 1 0 KKAFRM CC(CCC(=O)[O-])(c1ccc(OCc2cnc3ccccc3n2)cc1)c1ccc(OCc2cnc3ccccc3n2)cc1 ZINC000026992921 561832830 /nfs/dbraw/zinc/83/28/30/561832830.db2.gz KUBOYQVUNIFMHD-UHFFFAOYSA-N -1 0 570.649 6.902 1 0 KKAFRM Cn1c(COc2ccc([C@@](C)(CCC(=O)[O-])c3ccc(OCc4ccc5ccccc5n4)cc3)cc2)nc2ccccc21 ZINC000027072832 561833660 /nfs/dbraw/zinc/83/36/60/561833660.db2.gz QNZRYCQGLISDEP-BHVANESWSA-N -1 0 571.677 7.450 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(Br)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000027073463 561833800 /nfs/dbraw/zinc/83/38/00/561833800.db2.gz RDDZFWZPPNRMEF-UHFFFAOYSA-N -1 0 621.311 5.026 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2SCCOc2ncccn2)c1 ZINC000027073570 561833824 /nfs/dbraw/zinc/83/38/24/561833824.db2.gz QGRASIBHNIRVJH-UHFFFAOYSA-N -1 0 567.693 5.337 1 0 KKAFRM CC1(C)C(=O)[N-]C(=O)c2c3nc(Nc4c(Br)cc(Br)cc4Br)[nH]c3ccc21 ZINC000027079873 561834891 /nfs/dbraw/zinc/83/48/91/561834891.db2.gz KYQOAPIJIRYMIR-UHFFFAOYSA-N -1 0 557.040 5.142 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)CC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000027096475 561838076 /nfs/dbraw/zinc/83/80/76/561838076.db2.gz QCZHEUFYXFXANT-HHHZSKEXSA-N -1 0 555.719 5.250 1 0 KKAFRM COC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2Cl)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027108978 561840865 /nfs/dbraw/zinc/84/08/65/561840865.db2.gz UKZMUSIXKLMSGM-KENUPQJASA-N -1 0 636.145 5.073 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(Cc2ccccc2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027202578 561845353 /nfs/dbraw/zinc/84/53/53/561845353.db2.gz JRUAERMDOBBUGN-PMERELPUSA-N -1 0 540.685 6.163 1 0 KKAFRM O=C([O-])CCS[C@@H](SCCC(=O)N1CCOCC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000027212915 561847547 /nfs/dbraw/zinc/84/75/47/561847547.db2.gz QJMNCSYWCVZRGC-KRDIIPNCSA-N -1 0 557.137 6.247 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](OC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027409918 561856106 /nfs/dbraw/zinc/85/61/06/561856106.db2.gz QSAQIPVKISWRAT-ZABPBAJSSA-N -1 0 615.727 5.286 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000027425800 561858429 /nfs/dbraw/zinc/85/84/29/561858429.db2.gz PCXMELFTIIQIIF-DHCSSMODSA-N -1 0 707.871 6.907 1 0 KKAFRM CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(CCCCc2nn[nH]n2)c1CCC(=O)[O-] ZINC000027517639 561861475 /nfs/dbraw/zinc/86/14/75/561861475.db2.gz NRSCZSMOEPEKML-UHFFFAOYSA-N -1 0 562.642 5.704 1 0 KKAFRM O=C([O-])CCCC(=O)N1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027518313 561862195 /nfs/dbraw/zinc/86/21/95/561862195.db2.gz KOTIEALZHCIAGL-JOCHJYFZSA-N -1 0 546.508 5.381 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000027518385 561862259 /nfs/dbraw/zinc/86/22/59/561862259.db2.gz VNYQZPJONHDQNZ-AREMUKBSSA-N -1 0 544.611 5.156 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1cc(F)ccc1C(=O)[O-] ZINC000027518522 561862416 /nfs/dbraw/zinc/86/24/16/561862416.db2.gz BXGTVQQNGZFBKQ-UHFFFAOYSA-N -1 0 562.609 8.191 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccccn2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027518900 561862730 /nfs/dbraw/zinc/86/27/30/561862730.db2.gz UEWUUNANMOHXIH-HXUWFJFHSA-N -1 0 587.166 8.344 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCSc2ccccc2C(=O)[O-])c3S1 ZINC000027518897 561862788 /nfs/dbraw/zinc/86/27/88/561862788.db2.gz YPDSGRXUCSJNAX-RUZDIDTESA-N -1 0 677.291 10.054 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)CCc3ccccc3)cc2)c2ccccc21 ZINC000027519318 561863067 /nfs/dbraw/zinc/86/30/67/561863067.db2.gz BFVQOFGCQSYDNC-GDLZYMKVSA-N -1 0 561.638 5.141 1 0 KKAFRM Cc1cc2nc(-c3ccc(CNC(=O)CN4c5ccccc5[C@@H](CC(=O)[O-])c5ccccc5C4=O)cc3)[nH]c2cc1C ZINC000027519755 561863286 /nfs/dbraw/zinc/86/32/86/561863286.db2.gz OXSPAAKNBNEUFK-MHZLTWQESA-N -1 0 558.638 5.730 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2cccc(C(=O)[O-])c2)c3S1 ZINC000027519940 561863293 /nfs/dbraw/zinc/86/32/93/561863293.db2.gz ATPLZPBAZCJJQR-VWLOTQADSA-N -1 0 661.223 9.340 1 0 KKAFRM CCc1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)ccc1Cl ZINC000027520850 561863784 /nfs/dbraw/zinc/86/37/84/561863784.db2.gz BALDTNWRBBIKOY-NBIVFMIFSA-N -1 0 564.191 8.357 1 0 KKAFRM C[C@H]1CCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)[O-])CC4)c3)nc21 ZINC000027521746 561864149 /nfs/dbraw/zinc/86/41/49/561864149.db2.gz NWPVERDHSASZCG-DHPXJRKYSA-N -1 0 555.784 8.191 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc4ccccc4n2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027523086 561864736 /nfs/dbraw/zinc/86/47/36/561864736.db2.gz NRXMOTZXUWOFSR-QFIPXVFZSA-N -1 0 637.226 9.497 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc4ccccc4n2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027523085 561864748 /nfs/dbraw/zinc/86/47/48/561864748.db2.gz NRXMOTZXUWOFSR-JOCHJYFZSA-N -1 0 637.226 9.497 1 0 KKAFRM CCCCc1cccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)n1 ZINC000027523767 561865163 /nfs/dbraw/zinc/86/51/63/561865163.db2.gz SPRSDGHQROEUPI-CSJUJRMBSA-N -1 0 557.800 8.484 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)C(C)(C)CCC3)c1 ZINC000027523889 561865308 /nfs/dbraw/zinc/86/53/08/561865308.db2.gz IBDAOFPNZMUFAK-CGNAPUSOSA-N -1 0 583.838 8.755 1 0 KKAFRM COc1ccc(Cl)cc1C(=O)NCCc1ccc(C[C@](C)(Oc2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000027527041 561866530 /nfs/dbraw/zinc/86/65/30/561866530.db2.gz BMKVKYAEQJMMBB-LJAQVGFWSA-N -1 0 510.030 5.909 1 0 KKAFRM COc1ccc(COc2ccc3c4c(c(CSc5ccccc5C(=O)[O-])n3Cc3ccc(Cl)cc3)S[C@H](C)Cc42)nc1 ZINC000027522788 561864631 /nfs/dbraw/zinc/86/46/31/561864631.db2.gz MPSKVTFVLLASBG-HXUWFJFHSA-N -1 0 617.192 8.353 1 0 KKAFRM O=C([O-])CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O[C@@H]1CCc2ccccc21)O[C@@H]1CCc2ccccc21 ZINC000027556398 561869605 /nfs/dbraw/zinc/86/96/05/561869605.db2.gz MBDRMJLGUMNUDT-BMPTZRATSA-N -1 0 638.701 7.004 1 0 KKAFRM COc1cccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2cccc(OC)c2)c1 ZINC000027556247 561869654 /nfs/dbraw/zinc/86/96/54/561869654.db2.gz OLYNYZIEGHUIJI-HKBQPEDESA-N -1 0 618.623 5.771 1 0 KKAFRM CC/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000027558134 561869991 /nfs/dbraw/zinc/86/99/91/561869991.db2.gz NEMDNWMQAPMOSM-OCEACIFDSA-N -1 0 558.678 7.955 1 0 KKAFRM CCCc1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2ccc(CCC)cc2)cc1 ZINC000027559659 561870337 /nfs/dbraw/zinc/87/03/37/561870337.db2.gz RMTSQBXDRRSABG-DHUJRADRSA-N -1 0 642.733 7.659 1 0 KKAFRM CCOc1cc(CC(=O)N[C@H](CC2CCCCCC2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-] ZINC000027559848 561870512 /nfs/dbraw/zinc/87/05/12/561870512.db2.gz YEYYKGGOVBWNLF-HHHXNRCGSA-N -1 0 506.687 6.534 1 0 KKAFRM [O-]c1c(Br)c(Br)c(Br)cc1Oc1cc(F)c(Br)c(Br)c1O ZINC000027564214 561871789 /nfs/dbraw/zinc/87/17/89/561871789.db2.gz OYOQNBUNNOQZQP-UHFFFAOYSA-N -1 0 614.679 6.842 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(F)c(Br)c2)CC(=O)c2ccc(F)c(Br)c2)c1 ZINC000027636398 561874624 /nfs/dbraw/zinc/87/46/24/561874624.db2.gz LVEQNGWZJKUNCB-UHFFFAOYSA-N -1 0 566.192 6.818 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCOc2cccc3ccccc32)c2ccccc12 ZINC000027653281 561876925 /nfs/dbraw/zinc/87/69/25/561876925.db2.gz SNYAHUHKEGTDTG-UHFFFAOYSA-N -1 0 542.720 7.518 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)Nc3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000027653385 561876996 /nfs/dbraw/zinc/87/69/96/561876996.db2.gz CGMCDTAIHSLRBR-RQWZWFNXSA-N -1 0 659.592 5.690 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000027653760 561877034 /nfs/dbraw/zinc/87/70/34/561877034.db2.gz NJDCRLBKVYXTEP-CBWOOCEWSA-N -1 0 658.604 5.227 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000027653746 561877056 /nfs/dbraw/zinc/87/70/56/561877056.db2.gz NAJHRSPELCBBQS-RQWZWFNXSA-N -1 0 644.577 5.298 1 0 KKAFRM CCc1nc2c(nc(CO)cc2C)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000027722285 561880797 /nfs/dbraw/zinc/88/07/97/561880797.db2.gz QTLWAKOHUSMLCU-UHFFFAOYSA-N -1 0 623.451 6.280 1 0 KKAFRM C[C@H](OC(=O)C(C)(C)C)OP(=O)(O[C@H](C)OC(=O)C(C)(C)C)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000027727290 561880999 /nfs/dbraw/zinc/88/09/99/561880999.db2.gz SGUDULLXTWFAPR-XLGIIRLISA-N -1 0 642.704 7.112 1 0 KKAFRM O=C([O-])CCC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000027758592 561883769 /nfs/dbraw/zinc/88/37/69/561883769.db2.gz JFHKOMDCQBVNHI-GZIVZEMBSA-N -1 0 519.450 5.596 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc3ccccc3c2C(=O)[O-])cc1 ZINC000027848440 561885897 /nfs/dbraw/zinc/88/58/97/561885897.db2.gz OXKKIBSSHZQEHS-UHFFFAOYSA-N -1 0 534.012 5.747 1 0 KKAFRM O=C([O-])c1ccc(CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)cc1 ZINC000027860970 561887024 /nfs/dbraw/zinc/88/70/24/561887024.db2.gz NTADDIGMHPXZNE-UHFFFAOYSA-N -1 0 523.477 6.361 1 0 KKAFRM O=C([O-])CCCC(=O)Nc1ccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000027861760 561887150 /nfs/dbraw/zinc/88/71/50/561887150.db2.gz BQMGHRJGOJVEFU-XIFFEERXSA-N -1 0 591.620 6.138 1 0 KKAFRM COc1cccc(CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)c1Oc1ccc(C(=O)[O-])cn1 ZINC000027863229 561887471 /nfs/dbraw/zinc/88/74/71/561887471.db2.gz JYARIAKSSCLDEP-UHFFFAOYSA-N -1 0 646.588 7.557 1 0 KKAFRM CC(C)(C)CC(C)(C)c1cc(CCc2ccccc2)c2c(c1)OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027878299 561888810 /nfs/dbraw/zinc/88/88/10/561888810.db2.gz SVRGPEDVMMRKDP-UHFFFAOYSA-N -1 0 704.945 8.719 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(C(=O)NC(C)C)c1OC ZINC000027891820 561889894 /nfs/dbraw/zinc/88/98/94/561889894.db2.gz LCOBFNPHFDALDJ-AREMUKBSSA-N -1 0 527.658 5.365 1 0 in-vivo KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(C(C)C)s1 ZINC000028016125 561897286 /nfs/dbraw/zinc/89/72/86/561897286.db2.gz LYENZBJLYOPUII-BJKOFHAPSA-N -1 0 567.756 5.846 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCNS(=O)(=O)c1cccs1 ZINC000028018989 561897966 /nfs/dbraw/zinc/89/79/66/561897966.db2.gz ASUNSLBCCFVKJD-UHFFFAOYSA-N -1 0 696.833 5.252 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028019725 561898132 /nfs/dbraw/zinc/89/81/32/561898132.db2.gz GBGOPESWSQRGCM-VWLOTQADSA-N -1 0 514.557 5.848 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCNS(=O)(=O)c1ccc(C)cc1 ZINC000028019818 561898221 /nfs/dbraw/zinc/89/82/21/561898221.db2.gz YAEHNRUZTLQGFP-UHFFFAOYSA-N -1 0 704.831 5.499 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(Cc2ccccc2)o1 ZINC000028086739 561899224 /nfs/dbraw/zinc/89/92/24/561899224.db2.gz OBLRWINITGCEKS-WUFINQPMSA-N -1 0 599.732 5.845 1 0 KKAFRM CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)[N-]C(=O)CCCCCCCN3C(=O)c1ccccc1 ZINC000028091370 561899970 /nfs/dbraw/zinc/89/99/70/561899970.db2.gz WFCOAPJEEABDSI-UHFFFAOYSA-N -1 0 676.839 7.711 1 0 in-vivo KKAFRM O=C([O-])C[C@@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(OCCCCCc4cccnc4)c3)c21 ZINC000028094334 561900515 /nfs/dbraw/zinc/90/05/15/561900515.db2.gz IQLGXPIWWVPPBC-DEOSSOPVSA-N -1 0 500.614 6.910 1 0 KKAFRM CC(C)(c1nc(-c2ccccc2)c(C(=O)OCC2CC2)s1)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl ZINC000028102045 561901802 /nfs/dbraw/zinc/90/18/02/561901802.db2.gz JHYPOWLDIXCXSH-UHFFFAOYSA-N -1 0 557.459 5.244 1 0 KKAFRM Cc1ccccc1C(=O)c1c2cc(C(C)C)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028118748 561904252 /nfs/dbraw/zinc/90/42/52/561904252.db2.gz CPNZVQJZKVIEOE-UHFFFAOYSA-N -1 0 502.054 7.659 1 0 KKAFRM CC[C@@H](Oc1ccccc1Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC(F)(F)F)cc12)C(=O)[O-] ZINC000028120698 561904496 /nfs/dbraw/zinc/90/44/96/561904496.db2.gz CHGUIFODGMMMKV-RUZDIDTESA-N -1 0 541.522 6.378 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000028122353 561904500 /nfs/dbraw/zinc/90/45/00/561904500.db2.gz OUJPKXOGQQVHGA-PMACEKPBSA-N -1 0 580.300 5.272 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCC(C)C)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028230019 561908974 /nfs/dbraw/zinc/90/89/74/561908974.db2.gz UEARPOGZHHLDBF-SANMLTNESA-N -1 0 537.682 5.031 1 0 KKAFRM CCCCCC[C@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)[N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1CCCCCC ZINC000028241463 561910470 /nfs/dbraw/zinc/91/04/70/561910470.db2.gz QCGMECRGJWRHQO-UIOOFZCWSA-N -1 0 713.621 8.819 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2cc(Cl)c(Cl)c(Cl)c2C1)N1CCc2cc(Cl)c(Cl)c(Cl)c2C1 ZINC000028242081 561910487 /nfs/dbraw/zinc/91/04/87/561910487.db2.gz PYJCKCKHYOWGQG-UHFFFAOYSA-N -1 0 614.187 5.103 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028345166 561914717 /nfs/dbraw/zinc/91/47/17/561914717.db2.gz XTEJZDMBWFPVLK-KLRXOEACSA-N -1 0 555.844 7.374 1 0 KKAFRM CC(C)CN(C(=O)OC(C)(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028335049 561913198 /nfs/dbraw/zinc/91/31/98/561913198.db2.gz CITYBYHSEKMIFY-DEOSSOPVSA-N -1 0 585.528 8.054 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])CC[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 ZINC000028335336 561913332 /nfs/dbraw/zinc/91/33/32/561913332.db2.gz FYVHPADZKHBHBV-GYLXGDLXSA-N -1 0 603.888 7.961 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccccc4)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028337177 561913494 /nfs/dbraw/zinc/91/34/94/561913494.db2.gz WNFJTGITKNIPNM-UHFFFAOYSA-N -1 0 526.051 8.778 1 0 KKAFRM CCCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028337956 561913606 /nfs/dbraw/zinc/91/36/06/561913606.db2.gz IYTTUCDELWMTPJ-DEOSSOPVSA-N -1 0 628.597 7.876 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ccc1OC(C)C ZINC000028337964 561913616 /nfs/dbraw/zinc/91/36/16/561913616.db2.gz NJWAMCOTWKQQQO-XMMPIXPASA-N -1 0 628.597 7.874 1 0 KKAFRM CCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028339467 561913867 /nfs/dbraw/zinc/91/38/67/561913867.db2.gz MTTOAAIJCSWQGQ-QHCPKHFHSA-N -1 0 614.570 7.485 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])ccc1O ZINC000028347374 561914986 /nfs/dbraw/zinc/91/49/86/561914986.db2.gz TUSQXCPNLMIMRY-JOCHJYFZSA-N -1 0 585.528 7.397 1 0 KKAFRM CC(C)CN(C(=O)CC(C)(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028348320 561915289 /nfs/dbraw/zinc/91/52/89/561915289.db2.gz PFZJBGKNOSJETR-RUZDIDTESA-N -1 0 583.556 8.082 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000028357764 561916283 /nfs/dbraw/zinc/91/62/83/561916283.db2.gz LLGMUARWMWIJML-HSZRJFAPSA-N -1 0 539.459 7.175 1 0 KKAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028466819 561926288 /nfs/dbraw/zinc/92/62/88/561926288.db2.gz PVVPZVAFPKLLFZ-UVMMSNCQSA-N -1 0 665.768 6.002 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000028397554 561923268 /nfs/dbraw/zinc/92/32/68/561923268.db2.gz PTPGOXVGFAAVCH-DISCMUJQSA-N -1 0 558.844 7.883 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4c(cccc4OCc4ccccc4)o3)cc2)cc1)C(=O)[O-] ZINC000028458646 561924481 /nfs/dbraw/zinc/92/44/81/561924481.db2.gz NVNDKOXSOGFACQ-HKBQPEDESA-N -1 0 598.677 6.319 1 0 KKAFRM CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cccc(CN2CCCC(F)(F)C2)c1 ZINC000028469400 561926781 /nfs/dbraw/zinc/92/67/81/561926781.db2.gz HQTFEPBOLXYHCQ-UHFFFAOYSA-N -1 0 537.651 6.374 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475433 561927917 /nfs/dbraw/zinc/92/79/17/561927917.db2.gz KLLQFMOSUBJXBE-YKMRHESGSA-N -1 0 687.756 5.646 1 0 KKAFRM CC(C)(C)C1CCC2(CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2Cc2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000028528112 561932763 /nfs/dbraw/zinc/93/27/63/561932763.db2.gz OZMKTBYYAJWYNB-UHFFFAOYSA-N -1 0 575.628 6.207 1 0 KKAFRM CC(C)(C)CC(=O)Nc1ccc2c(cc(C(=O)Nc3cncc(C(=O)[O-])c3)n2Cc2ccccc2F)c1 ZINC000028526044 561931867 /nfs/dbraw/zinc/93/18/67/561931867.db2.gz MIOAQOFFBHEERN-UHFFFAOYSA-N -1 0 502.546 5.549 1 0 KKAFRM COc1c2cc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1Br ZINC000028527460 561932501 /nfs/dbraw/zinc/93/25/01/561932501.db2.gz DCSURGDKZBMZEV-DEOSSOPVSA-N -1 0 601.475 5.511 1 0 KKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(Cl)cc3)cc21 ZINC000028565392 561935987 /nfs/dbraw/zinc/93/59/87/561935987.db2.gz BYQLMKIVHJIOJT-DQEYMECFSA-N -1 0 516.037 7.733 1 0 KKAFRM Cc1c(CC[S@@](=O)c2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028567077 561936610 /nfs/dbraw/zinc/93/66/10/561936610.db2.gz PFZDVGZJUMSHRH-QNGWXLTQSA-N -1 0 528.073 7.289 1 0 KKAFRM Cc1c(CCOc2ccc(C(=O)[O-])cc2Cl)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028567532 561936657 /nfs/dbraw/zinc/93/66/57/561936657.db2.gz DRTSPRLUKQRLPV-UHFFFAOYSA-N -1 0 530.451 8.214 1 0 KKAFRM CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5-c4ccc(F)cc4F)CC3)c(=O)[nH]2)ccc1C ZINC000028569035 561937673 /nfs/dbraw/zinc/93/76/73/561937673.db2.gz LYNNETNJMPHXJF-UHFFFAOYSA-N -1 0 702.734 5.173 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccccc3)c3ccccc3)cc1)n2C1CCCCC1 ZINC000028571693 561939562 /nfs/dbraw/zinc/93/95/62/561939562.db2.gz DUKNAMNPLJHTBE-UHFFFAOYSA-N -1 0 502.614 8.075 1 0 KKAFRM CCOC[C@@H]1C[C@@](CC(C)C)(C(=O)[O-])N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000028604537 561940673 /nfs/dbraw/zinc/94/06/73/561940673.db2.gz BSBUQUPCVMXAIX-JQXZYWDBSA-N -1 0 502.677 5.559 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2ccc(C(C)(C)C)c(OCC(=O)NCCC(=O)[O-])c2C(C)(C)C)cc(C(C)(C)C)c1O ZINC000028638729 561942300 /nfs/dbraw/zinc/94/23/00/561942300.db2.gz LECPUHQWINAQOI-UHFFFAOYSA-N -1 0 645.972 9.172 1 0 KKAFRM CN(CC(=O)[O-])C(=O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028638872 561942401 /nfs/dbraw/zinc/94/24/01/561942401.db2.gz IBVDUXKBURNIMU-UHFFFAOYSA-N -1 0 645.972 9.125 1 0 KKAFRM CN1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708849 561950535 /nfs/dbraw/zinc/95/05/35/561950535.db2.gz ZKSXGJLCMGEXQK-UHFFFAOYSA-N -1 0 677.745 8.684 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(C)c4ccc(C(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709067 561950553 /nfs/dbraw/zinc/95/05/53/561950553.db2.gz BHQLUEBWHNMTKD-MYYQLPNJSA-N -1 0 606.763 6.138 1 0 KKAFRM COc1ccc(S(=O)(=O)c2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)cc1 ZINC000028708828 561950568 /nfs/dbraw/zinc/95/05/68/561950568.db2.gz IROQZHATCUDQPB-UHFFFAOYSA-N -1 0 608.760 7.826 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCC(=O)[O-])cc3)C[C@@]21C ZINC000028709059 561950602 /nfs/dbraw/zinc/95/06/02/561950602.db2.gz NDXNOIHKHGGHMI-IUBAKRFESA-N -1 0 515.694 6.032 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc([C@H](C)C(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709081 561950677 /nfs/dbraw/zinc/95/06/77/561950677.db2.gz APFRDVMUOQCPTQ-QXNXCVKSSA-N -1 0 577.765 7.165 1 0 KKAFRM CN(CCc1ccc(Br)cc1)C(=O)Cc1ccc(OCCCCOc2ccc(CC(=O)[O-])cc2)cc1 ZINC000028712399 561952917 /nfs/dbraw/zinc/95/29/17/561952917.db2.gz LJDZGTWVLZQELD-UHFFFAOYSA-N -1 0 554.481 5.558 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1-c1ccc(Cl)cc1 ZINC000028759031 561957478 /nfs/dbraw/zinc/95/74/78/561957478.db2.gz ASAPNNLBIMTRGL-KXQOOQHDSA-N -1 0 651.227 11.221 1 0 KKAFRM CC(C)(C)n1nc(-c2ccccc2)c2c1nc(C1CC1)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c1ccc(F)cc1 ZINC000028756099 561956041 /nfs/dbraw/zinc/95/60/41/561956041.db2.gz FGQLDIRLDKYPPM-KDBREVJYSA-N -1 0 543.639 6.137 1 0 KKAFRM Cc1c(C(=O)c2ccc3c(c2)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)O3)c2ccccc2n1CCCC(=O)[O-] ZINC000028759915 561957660 /nfs/dbraw/zinc/95/76/60/561957660.db2.gz SWSOLWZGKLCZDP-UHFFFAOYSA-N -1 0 586.471 8.025 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCC(F)(F)F)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028760379 561957805 /nfs/dbraw/zinc/95/78/05/561957805.db2.gz IHXYDMMVEDLUPK-GOTSBHOMSA-N -1 0 540.563 5.283 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028760938 561958033 /nfs/dbraw/zinc/95/80/33/561958033.db2.gz AUCKDTPPQMKIGG-UHFFFAOYSA-N -1 0 601.047 5.465 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(Br)ccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761619 561958247 /nfs/dbraw/zinc/95/82/47/561958247.db2.gz LESCQNMRECZCDU-UHFFFAOYSA-N -1 0 665.916 5.919 1 0 KKAFRM CCC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1c(-c2ccccc2)ccc(NC(=O)c2cccc3ccccc32)c1=O ZINC000028764427 561959148 /nfs/dbraw/zinc/95/91/48/561959148.db2.gz SWSXKGKFVAADHN-CQTOTRCISA-N -1 0 645.712 5.870 1 0 KKAFRM COc1cc(Sc2c3cc4c(cc3n(Cc3ccc5c(c3)OCO5)c2C(=O)[O-])OCO4)cc(OC)c1OC ZINC000028769104 561960715 /nfs/dbraw/zinc/96/07/15/561960715.db2.gz FDDMPZZHBROSPE-UHFFFAOYSA-N -1 0 537.546 5.022 1 0 KKAFRM COc1cccc(Sc2c3cc(OC)c(OC)cc3n(Cc3cc4c(c(OC)c3)OCO4)c2C(=O)[O-])c1 ZINC000028769926 561960996 /nfs/dbraw/zinc/96/09/96/561960996.db2.gz MNLRNQODLJLCSB-UHFFFAOYSA-N -1 0 523.563 5.302 1 0 KKAFRM O=C([O-])CCc1c2c(cc(Cc3cccnc3)c1-c1ccccc1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000028771156 561961358 /nfs/dbraw/zinc/96/13/58/561961358.db2.gz RHKHSVZMFKZUKU-AREMUKBSSA-N -1 0 561.103 5.846 1 0 KKAFRM CC(C)c1onc(-c2ccc(-c3ccccc3)cc2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000028816341 561964008 /nfs/dbraw/zinc/96/40/08/561964008.db2.gz XPGVTNNHCIUHNB-VAWYXSNFSA-N -1 0 550.054 9.233 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000028816330 561964106 /nfs/dbraw/zinc/96/41/06/561964106.db2.gz IJXLNFOPUCHASQ-UHFFFAOYSA-N -1 0 649.958 9.549 1 0 KKAFRM C[C@@H]1N=C(c2ccccc2)c2ccccc2N(Cc2ccc(O[P@](=O)([O-])OCc3ccccc3)cc2)C1=O ZINC000028820320 561966004 /nfs/dbraw/zinc/96/60/04/561966004.db2.gz KMZIRDGDLZLWPK-QFIPXVFZSA-N -1 0 526.529 6.155 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820911 561966010 /nfs/dbraw/zinc/96/60/10/561966010.db2.gz YLPXNOQALWDINV-MUUNZHRXSA-N -1 0 594.461 7.322 1 0 KKAFRM COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820903 561966020 /nfs/dbraw/zinc/96/60/20/561966020.db2.gz SDYSSHHNOIVGPM-LJAQVGFWSA-N -1 0 624.487 7.331 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820986 561966138 /nfs/dbraw/zinc/96/61/38/561966138.db2.gz GXWMURTXKWUKDW-MUUNZHRXSA-N -1 0 599.561 7.458 1 0 KKAFRM Cc1cccc([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)c1 ZINC000028820955 561966157 /nfs/dbraw/zinc/96/61/57/561966157.db2.gz IBWUFLIEVULBOW-GDLZYMKVSA-N -1 0 529.592 6.868 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)oc2ccc(Cl)cc2c1[O-])c1ccccc1 ZINC000028820991 561966174 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CN1c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824061 561968868 /nfs/dbraw/zinc/96/88/68/561968868.db2.gz NZZKAWXHZHZEFK-UHFFFAOYSA-N -1 0 615.818 9.139 1 0 KKAFRM CCCCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2CC)C(C)(C)CCC3(C)C ZINC000028824147 561969117 /nfs/dbraw/zinc/96/91/17/561969117.db2.gz UYVDRZNOCPBVAV-UHFFFAOYSA-N -1 0 587.786 7.916 1 0 KKAFRM C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-])C[C@H]1CC(=O)CC[C@@]13C ZINC000028824534 561969759 /nfs/dbraw/zinc/96/97/59/561969759.db2.gz MZBFKSCMIOVNQI-LEFGOIHKSA-N -1 0 620.784 9.375 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825462 561970827 /nfs/dbraw/zinc/97/08/27/561970827.db2.gz VSZYTEINNZOPPZ-UHFFFAOYSA-N -1 0 521.919 6.632 1 0 KKAFRM CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCc1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc(O)cc1 ZINC000028827367 561971749 /nfs/dbraw/zinc/97/17/49/561971749.db2.gz 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/nfs/dbraw/zinc/98/14/79/561981479.db2.gz HQGLSEMCONKWJH-KAYWLYCHSA-N -1 0 574.649 6.019 1 0 KKAFRM Cc1c[nH]c(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)n1 ZINC000028951310 561981575 /nfs/dbraw/zinc/98/15/75/561981575.db2.gz AKIAQOSJRITXEV-JWQCQUIFSA-N -1 0 576.669 5.023 1 0 KKAFRM Cc1cc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)[nH]n1 ZINC000028951305 561981578 /nfs/dbraw/zinc/98/15/78/561981578.db2.gz QGKDJFYHNLTGAI-CLJLJLNGSA-N -1 0 576.669 5.023 1 0 KKAFRM CCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972070 561985984 /nfs/dbraw/zinc/98/59/84/561985984.db2.gz MEUQDLXXQPPYAI-OAQYLSRUSA-N -1 0 538.632 7.122 1 0 KKAFRM CCCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972052 561986015 /nfs/dbraw/zinc/98/60/15/561986015.db2.gz JTHIGAJBJXDELA-HXUWFJFHSA-N -1 0 540.673 7.445 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccccc1-c1ccccc1 ZINC000028973945 561986293 /nfs/dbraw/zinc/98/62/93/561986293.db2.gz RXXRCOPYYHNIIS-LITSAYRRSA-N -1 0 550.636 5.268 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977836 561987434 /nfs/dbraw/zinc/98/74/34/561987434.db2.gz YFHWQULUZNBZKU-SXOMAYOGSA-N -1 0 646.713 5.597 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977809 561987483 /nfs/dbraw/zinc/98/74/83/561987483.db2.gz OACZRTSAVJISLU-UIOOFZCWSA-N -1 0 632.686 5.207 1 0 KKAFRM Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)n(-c2ccccc2Cl)n1 ZINC000029044271 561992166 /nfs/dbraw/zinc/99/21/66/561992166.db2.gz BIWUWZRQAXMURN-UHFFFAOYSA-N -1 0 504.974 6.633 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)OCC(C)C)CC[C@H]2CC(=O)[O-])c1 ZINC000029045545 561992535 /nfs/dbraw/zinc/99/25/35/561992535.db2.gz IMJNPIXMADXNLJ-AHWVRZQESA-N -1 0 520.626 5.944 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])cc1 ZINC000029045849 561992608 /nfs/dbraw/zinc/99/26/08/561992608.db2.gz POTOMCOFEWNITE-VPUSJEBWSA-N -1 0 534.653 6.019 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])c1 ZINC000029045686 561992620 /nfs/dbraw/zinc/99/26/20/561992620.db2.gz XIUDSCBTVUHYMN-LOSJGSFVSA-N -1 0 506.599 5.554 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])cc1 ZINC000029045861 561992730 /nfs/dbraw/zinc/99/27/30/561992730.db2.gz KIAYYQXSCFRAQS-AHWVRZQESA-N -1 0 520.626 5.629 1 0 KKAFRM CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@@H]1C3=O)[C@@H](O)[C@]2(CC[C@@H](C)C(=O)[O-])OC4(C)C ZINC000029048544 561993576 /nfs/dbraw/zinc/99/35/76/561993576.db2.gz ZZGVJHSBRGZEML-RENQDZQNSA-N -1 0 638.842 7.351 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000029048795 561993671 /nfs/dbraw/zinc/99/36/71/561993671.db2.gz XAZOEZNXZFURMS-WBTFOLPFSA-N -1 0 698.817 5.632 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])cc1 ZINC000029126532 561998667 /nfs/dbraw/zinc/99/86/67/561998667.db2.gz HWOKKMFQJSXDKU-YTMVLYRLSA-N -1 0 538.644 6.228 1 0 KKAFRM CCCOc1ccc(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127122 561999544 /nfs/dbraw/zinc/99/95/44/561999544.db2.gz GUFHDBFHNDUDJA-MRWIZJNUSA-N -1 0 503.683 6.527 1 0 KKAFRM C[C@@H]1COc2c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000029128325 562000733 /nfs/dbraw/zinc/00/07/33/562000733.db2.gz MVYUVXAGLVQPKP-CJAUYULYSA-N -1 0 548.014 5.357 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000029058764 561995428 /nfs/dbraw/zinc/99/54/28/561995428.db2.gz KLPSJZXOWDQQHK-UTEPBPJZSA-N -1 0 696.801 6.535 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000029212286 562005975 /nfs/dbraw/zinc/00/59/75/562005975.db2.gz IDKSGHOHJZZRDZ-MYJMFBNBSA-N -1 0 668.618 6.850 1 0 KKAFRM CN(Cc1ccccc1)C(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029215294 562006363 /nfs/dbraw/zinc/00/63/63/562006363.db2.gz QQNDAJPOISGIAK-WUFINQPMSA-N -1 0 673.638 5.063 1 0 KKAFRM CN(C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000029214883 562006387 /nfs/dbraw/zinc/00/63/87/562006387.db2.gz VSFBBOFLBYHSKG-CLJLJLNGSA-N -1 0 602.559 5.209 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCc1cccc2ccccc21 ZINC000029215522 562006422 /nfs/dbraw/zinc/00/64/22/562006422.db2.gz FZOXRVKTDSMVKZ-CONSDPRKSA-N -1 0 709.671 5.874 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc21 ZINC000029216269 562006453 /nfs/dbraw/zinc/00/64/53/562006453.db2.gz PTDFKFFJLGEJAM-NSOVKSMOSA-N -1 0 696.632 5.591 1 0 KKAFRM CN(C(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029216050 562006507 /nfs/dbraw/zinc/00/65/07/562006507.db2.gz VSFBBOFLBYHSKG-UIOOFZCWSA-N -1 0 602.559 5.209 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029217416 562006748 /nfs/dbraw/zinc/00/67/48/562006748.db2.gz OQUSFOUBOFXZKU-LOSJGSFVSA-N -1 0 622.977 5.520 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000029218052 562006847 /nfs/dbraw/zinc/00/68/47/562006847.db2.gz FZNQMJNVPNGWMG-AHIBIYKOSA-N -1 0 731.762 6.127 1 0 KKAFRM CC1(C)CCC(NC(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000029220850 562007172 /nfs/dbraw/zinc/00/71/72/562007172.db2.gz AUROWYJLELKNKL-SVBPBHIXSA-N -1 0 679.686 5.489 1 0 KKAFRM CC1(C)CCC(NC(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000029220845 562007267 /nfs/dbraw/zinc/00/72/67/562007267.db2.gz AUROWYJLELKNKL-RRPNLBNLSA-N -1 0 679.686 5.489 1 0 KKAFRM COc1ccccc1N1CCN(CCCOc2cc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)ccc2OCc2ccc(C)cc2)CC1 ZINC000029323891 562013297 /nfs/dbraw/zinc/01/32/97/562013297.db2.gz LEDULXVFRNTQTF-UHFFFAOYSA-N -1 0 675.826 7.224 1 0 KKAFRM CC[C@H](CO)Cc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-] ZINC000029252205 562011351 /nfs/dbraw/zinc/01/13/51/562011351.db2.gz CICVRMZHTUTILV-PLKLNDPRSA-N -1 0 532.637 5.178 1 0 KKAFRM CC[C@@H](CO)Cc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-] ZINC000029252200 562011381 /nfs/dbraw/zinc/01/13/81/562011381.db2.gz CICVRMZHTUTILV-XCQIGJQCSA-N -1 0 532.637 5.178 1 0 KKAFRM C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C[C@H](Oc2ccccc2)CC1 ZINC000029403881 562020320 /nfs/dbraw/zinc/02/03/20/562020320.db2.gz VVUCIXDRULNGRD-ZARZTCTQSA-N -1 0 530.793 9.858 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000029343661 562015876 /nfs/dbraw/zinc/01/58/76/562015876.db2.gz UTSFQPTVPZNJJH-URLMMPGGSA-N -1 0 548.664 5.574 1 0 KKAFRM CC(=O)CC(=O)O[C@H]1CC/C(C)=C\CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C1 ZINC000029410134 562021485 /nfs/dbraw/zinc/02/14/85/562021485.db2.gz HEHTXCRLOLJCLE-FHXLTAANSA-N -1 0 538.769 8.301 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1[C@@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000029416608 562023015 /nfs/dbraw/zinc/02/30/15/562023015.db2.gz LMJYESWOZZRIIL-XIFFEERXSA-N -1 0 624.133 7.881 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCOCCOc1c(C(C)=O)ccc(OCCCCCC(=O)[O-])c1CCC ZINC000029472635 562025801 /nfs/dbraw/zinc/02/58/01/562025801.db2.gz YSTYSNAKWCYTAV-UHFFFAOYSA-N -1 0 572.695 6.201 1 0 KKAFRM CCCc1c(OCCC(C)(C)CCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029485793 562028276 /nfs/dbraw/zinc/02/82/76/562028276.db2.gz FXJVVVWLAOBUCU-VWLOTQADSA-N -1 0 526.626 5.792 1 0 KKAFRM CCCc1c(OCc2ccccc2CCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029544487 562029377 /nfs/dbraw/zinc/02/93/77/562029377.db2.gz WBADINMGLBDPKG-MUUNZHRXSA-N -1 0 546.616 5.729 1 0 KKAFRM O=C([O-])CCCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 ZINC000029565446 562034292 /nfs/dbraw/zinc/03/42/92/562034292.db2.gz FMGMZPGNRHRJQC-WKULSOCRSA-N -1 0 543.708 7.684 1 0 KKAFRM CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CC(=O)CCCCC)c1O2 ZINC000034582183 562039147 /nfs/dbraw/zinc/03/91/47/562039147.db2.gz ZDIOCINAHISORH-UHFFFAOYSA-N -1 0 512.555 5.505 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)cc1 ZINC000029570569 562035633 /nfs/dbraw/zinc/03/56/33/562035633.db2.gz KUYKCJAUZBEPIK-UHFFFAOYSA-N -1 0 525.671 5.531 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@H](C(=O)[O-])c2ccc(-c3ccccc3)cc2)cc1 ZINC000034359715 562038796 /nfs/dbraw/zinc/03/87/96/562038796.db2.gz YCJCCXANVWILMI-HKBQPEDESA-N -1 0 501.626 7.903 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799785 562040632 /nfs/dbraw/zinc/04/06/32/562040632.db2.gz POAFNNRQISTGEJ-KIVZLOICSA-N -1 0 657.804 7.130 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc2ccccc2c1)C[P@@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000034801806 562041498 /nfs/dbraw/zinc/04/14/98/562041498.db2.gz XYZHDRSTLPUTBX-FTMYYPKXSA-N -1 0 716.775 6.458 1 0 KKAFRM COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000034948130 562044013 /nfs/dbraw/zinc/04/40/13/562044013.db2.gz USOUMMYIFYDJEI-ZZTDINLMSA-N -1 0 516.981 5.450 1 0 KKAFRM CCCc1c(OCCCn2ccc3ccc(OCC(=O)[O-])cc32)ccc2cc(C(=O)c3ccccc3)ccc21 ZINC000035065299 562044550 /nfs/dbraw/zinc/04/45/50/562044550.db2.gz LMQQXPXUKQKPET-UHFFFAOYSA-N -1 0 521.613 6.911 1 0 KKAFRM Cc1ccc(NC(=O)c2c([O-])n(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000036184641 562050269 /nfs/dbraw/zinc/05/02/69/562050269.db2.gz CHQRNDCPCWDOBO-UHFFFAOYSA-N -1 0 523.203 6.508 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCCCC(=O)[O-])CC[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 ZINC000035570563 562045231 /nfs/dbraw/zinc/04/52/31/562045231.db2.gz YHNBTCXZHZSNSH-PUYMTUQZSA-N -1 0 542.801 7.557 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4cccc(OC(F)(F)F)c4)c2c(Br)c1)[C@H](CC(=O)[O-])CC3 ZINC000036190402 562051155 /nfs/dbraw/zinc/05/11/55/562051155.db2.gz WJGCPZJFMWJGCD-ZDUSSCGKSA-N -1 0 546.361 5.259 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOCCC(=O)[O-])c3S1 ZINC000036222807 562051765 /nfs/dbraw/zinc/05/17/65/562051765.db2.gz ANAOOXHMVINFDW-HSZRJFAPSA-N -1 0 613.179 8.055 1 0 KKAFRM C[C@H](CCC[C@H](SCCC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268338 562052328 /nfs/dbraw/zinc/05/23/28/562052328.db2.gz IGFYAVCRBQNWHN-QSCMIVLMSA-N -1 0 512.115 7.885 1 0 KKAFRM CN(C)C(=O)CCS[C@@H](SCCC(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268492 562052719 /nfs/dbraw/zinc/05/27/19/562052719.db2.gz NIXBZRJGJRDATK-SANMLTNESA-N -1 0 517.116 6.091 1 0 KKAFRM O=C([O-])C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)no1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000036269235 562052931 /nfs/dbraw/zinc/05/29/31/562052931.db2.gz WPRZWONATNXRPZ-GOSISDBHSA-N -1 0 525.030 5.627 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3cccc(C(F)(F)F)c3)c2)ccc1OCC(=O)[O-] ZINC000037866907 562062301 /nfs/dbraw/zinc/06/23/01/562062301.db2.gz ZNQQCRTXGODSCB-UHFFFAOYSA-N -1 0 560.490 8.409 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1 ZINC000036350423 562058088 /nfs/dbraw/zinc/05/80/88/562058088.db2.gz ZXTUAZXXFAUSMU-UHFFFAOYSA-N -1 0 537.059 8.806 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)c(F)c1)n2C1CCCCC1 ZINC000036350416 562058092 /nfs/dbraw/zinc/05/80/92/562058092.db2.gz QZHDODSXXXOUIQ-UHFFFAOYSA-N -1 0 520.604 8.292 1 0 KKAFRM CN(C)C(=O)c1ccc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c(-c2ccc(Cl)cc2)c1 ZINC000036350428 562058222 /nfs/dbraw/zinc/05/82/22/562058222.db2.gz UXRKKYJFCINMEN-UHFFFAOYSA-N -1 0 608.138 8.508 1 0 KKAFRM CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000036350439 562058269 /nfs/dbraw/zinc/05/82/69/562058269.db2.gz CDLAJHCAPWVRPT-UHFFFAOYSA-N -1 0 594.111 8.166 1 0 KKAFRM CC(C)(C)C1CCC(N(Cc2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036351409 562058322 /nfs/dbraw/zinc/05/83/22/562058322.db2.gz GFRYMNYDKDZMHR-JHUWLELGSA-N -1 0 603.682 7.161 1 0 KKAFRM Cc1cc(OCC(=O)[O-])ccc1OCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000037866917 562062370 /nfs/dbraw/zinc/06/23/70/562062370.db2.gz DPYLEKBKWLHONZ-UHFFFAOYSA-N -1 0 560.490 8.409 1 0 KKAFRM CCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000036415021 562060558 /nfs/dbraw/zinc/06/05/58/562060558.db2.gz MEXMRVQJIIADIH-UHFFFAOYSA-N -1 0 517.401 5.005 1 0 KKAFRM COC(=O)c1ccc2[nH]c([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036748842 562061093 /nfs/dbraw/zinc/06/10/93/562061093.db2.gz XNESRZBWFVZRNF-WDYNHAJCSA-N -1 0 644.731 5.010 1 0 KKAFRM CC(C)(Oc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)[O-] ZINC000036757833 562061097 /nfs/dbraw/zinc/06/10/97/562061097.db2.gz MPDKXLYYEUYUHL-UHFFFAOYSA-N -1 0 574.517 8.879 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000038145766 562064524 /nfs/dbraw/zinc/06/45/24/562064524.db2.gz BBBIFDIUGLAJFN-OZXSUGGESA-N -1 0 528.026 5.554 3 0 KKAFRM COc1cc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145759 562064543 /nfs/dbraw/zinc/06/45/43/562064543.db2.gz BMKQNCIFFMNOLI-OZXSUGGESA-N -1 0 558.052 5.562 3 0 KKAFRM CC1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOCC(=O)[O-])c3S1 ZINC000038158066 562070026 /nfs/dbraw/zinc/07/00/26/562070026.db2.gz AXHIEUTYFUDEKB-JOCHJYFZSA-N -1 0 599.152 7.664 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(Cc2ccncc2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377646 562071497 /nfs/dbraw/zinc/07/14/97/562071497.db2.gz GCTUOYWCMFLXSC-UIOOFZCWSA-N -1 0 672.306 6.549 1 0 KKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000040379088 562073261 /nfs/dbraw/zinc/07/32/61/562073261.db2.gz UEAKFJHZEFJNCU-DEOSSOPVSA-N -1 0 508.018 6.599 1 0 KKAFRM C[C@@H](CCc1ccc(OCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040860946 562080691 /nfs/dbraw/zinc/08/06/91/562080691.db2.gz QHSKOZYANLGLJH-DEOSSOPVSA-N -1 0 503.639 5.431 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)[O-])c2sccc21 ZINC000040939033 562085662 /nfs/dbraw/zinc/08/56/62/562085662.db2.gz WBFFVLPWAJTXLI-NRFANRHFSA-N -1 0 505.514 6.061 1 0 KKAFRM CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])[C@@H](OC(C)=O)C[C@]43C)[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000042806764 562089790 /nfs/dbraw/zinc/08/97/90/562089790.db2.gz PRKFEXJCCYJSHL-VOQQBVSSSA-N -1 0 614.820 6.889 1 0 KKAFRM CCC1C=C(c2cccc([C@H](COC)Cc3c(=O)c(OC)c([O-])c4c(O)cc(-c5ccc(O)cc5)oc3-4)c2)C=N1 ZINC000103533230 560050843 /nfs/dbraw/zinc/05/08/43/560050843.db2.gz JQHBDGBSPJDIBO-QFIPXVFZSA-N -1 0 540.592 5.901 1 0 biogenic,in-vitro KKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c(C[C@@H]2C=Cc3cc4[nH]ccc4c4cccc2c34)c1=O ZINC000103533263 560050927 /nfs/dbraw/zinc/05/09/27/560050927.db2.gz BZYJTJSWJCRFCR-KRWDZBQOSA-N -1 0 516.529 6.359 1 0 biogenic,in-vitro KKAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OCCC4(O)CCCCC4)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569386 560069870 /nfs/dbraw/zinc/06/98/70/560069870.db2.gz BPBIEOQIFHKQDF-UHFFFAOYSA-N -1 0 574.670 6.536 1 0 biogenic,in-vitro KKAFRM [O-]c1c(Br)c(Br)c(Br)cc1Oc1cc(Br)cc(Br)c1O ZINC000043062752 562645244 /nfs/dbraw/zinc/64/52/44/562645244.db2.gz XFOJVAWZYLMDTM-UHFFFAOYSA-N -1 0 596.689 6.703 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)c3ccccc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043071508 562645538 /nfs/dbraw/zinc/64/55/38/562645538.db2.gz IJSPIOBCDOYRML-MDZDMXLPSA-N -1 0 518.569 5.134 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2sc(-c3ccc(C(=O)[O-])cc3)cc2c1 ZINC000043071252 562645540 /nfs/dbraw/zinc/64/55/40/562645540.db2.gz VUHSJPSKEVVMSG-UHFFFAOYSA-N -1 0 538.452 8.931 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000043103674 562645967 /nfs/dbraw/zinc/64/59/67/562645967.db2.gz LZEKYTNIRIGABP-SAPNQHFASA-N -1 0 606.723 6.686 1 0 KKAFRM C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CCN(CCc2c[nH]cn2)C1=O)COS(=O)(=O)[O-] ZINC000043120781 562646083 /nfs/dbraw/zinc/64/60/83/562646083.db2.gz IAJOBCOCHZRJMA-CSYFSRKCSA-N -1 0 561.789 5.906 1 0 KKAFRM O=C([O-])c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c43)CC2)cc1 ZINC000043199516 562646844 /nfs/dbraw/zinc/64/68/44/562646844.db2.gz IFKQAJFRAOXFQO-UHFFFAOYSA-N -1 0 512.915 6.479 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3cccc4ccccc43)[C@H](c3ccc(O)cc3)C2)c(C)cc1OCC(=O)[O-] ZINC000043532170 562649270 /nfs/dbraw/zinc/64/92/70/562649270.db2.gz YMKUPMFPJOGPLN-SANMLTNESA-N -1 0 540.572 5.083 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1 ZINC000043543852 562649457 /nfs/dbraw/zinc/64/94/57/562649457.db2.gz GUFJKCVSAILOEH-NSHDSACASA-N -1 0 549.876 6.911 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)c(OC(F)(F)F)c1 ZINC000043552605 562649643 /nfs/dbraw/zinc/64/96/43/562649643.db2.gz NSGJGOWVFDUULW-HXUWFJFHSA-N -1 0 579.575 6.993 1 0 KKAFRM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@](C)(O)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1O ZINC000044265600 562652827 /nfs/dbraw/zinc/65/28/27/562652827.db2.gz HHDNTTOUNUERTJ-BGJCYSRJSA-N -1 0 530.746 5.746 1 0 KKAFRM C/C(=C\C=C\[C@@]1(C)[C@@H]2CC[C@H]3Cc4c5cc6c(cc5[nH]c4[C@]3(C)[C@@]2(C)CC[C@@H]1O)C[C@H]1C6=CC(C)(C)OC1(C)C)C(=O)[O-] ZINC000044280314 562652857 /nfs/dbraw/zinc/65/28/57/562652857.db2.gz CQCRWLOGUOKQCD-FOWVSSDISA-N -1 0 583.813 7.905 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC[C@]23C)C1(C)C ZINC000044280700 562652878 /nfs/dbraw/zinc/65/28/78/562652878.db2.gz HGQZVAAQKMQGQF-XRANUCELSA-N -1 0 599.853 6.526 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000044307961 562654187 /nfs/dbraw/zinc/65/41/87/562654187.db2.gz HSFUXYJVURRFEY-LYSGITKLSA-N -1 0 551.945 5.534 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000044308281 562654232 /nfs/dbraw/zinc/65/42/32/562654232.db2.gz FCCWJFJXXNCGHS-QWNKRHSOSA-N -1 0 571.843 6.345 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1)C(=O)[O-] ZINC000044359804 562655526 /nfs/dbraw/zinc/65/55/26/562655526.db2.gz LWHZXDYTGUIQFY-MRXNPFEDSA-N -1 0 575.959 7.272 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1)C(=O)[O-] ZINC000044404634 562656491 /nfs/dbraw/zinc/65/64/91/562656491.db2.gz IPHWQLONRWTAAG-GDLZYMKVSA-N -1 0 543.641 5.551 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cn(C)c(=O)c3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)[O-])cn(C)c2c1 ZINC000044404802 562656496 /nfs/dbraw/zinc/65/64/96/562656496.db2.gz JUVJRHYUYFMMRT-UHFFFAOYSA-N -1 0 580.468 7.215 1 0 KKAFRM Cc1[nH]nc(OCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c1-c1ccc(C(C)(C)C)cc1Cl ZINC000044417381 562657090 /nfs/dbraw/zinc/65/70/90/562657090.db2.gz CQFUGLCPSNTKAO-UHFFFAOYSA-N -1 0 566.485 7.301 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H](O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-] ZINC000044417515 562657139 /nfs/dbraw/zinc/65/71/39/562657139.db2.gz GKZSILIAFXNPRA-FFZJDWRYSA-N -1 0 514.747 6.631 1 0 KKAFRM CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OS(=O)(=O)[O-])[C@@]4(C)CO ZINC000044417786 562657211 /nfs/dbraw/zinc/65/72/11/562657211.db2.gz BTQRGQYBCTZVTK-UBMCIHALSA-N -1 0 538.791 5.939 1 0 KKAFRM Cc1ccc(-c2c(SCC(=O)Nc3ccc(-c4ccc(CC(=O)[O-])cc4)cc3Cl)cnn2C)c(Cl)c1 ZINC000044430324 562657470 /nfs/dbraw/zinc/65/74/70/562657470.db2.gz CPIULLPZAYZFJW-UHFFFAOYSA-N -1 0 540.472 6.727 1 0 KKAFRM Cc1ccc(-c2ncoc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000044430382 562657483 /nfs/dbraw/zinc/65/74/83/562657483.db2.gz HUEJXSWODVTQAZ-UHFFFAOYSA-N -1 0 527.429 6.982 1 0 KKAFRM CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4[C@](C)(CCC(=O)[C@]4(C)COC(C)=O)[C@H]3CC[C@@]12C ZINC000044430657 562657602 /nfs/dbraw/zinc/65/76/02/562657602.db2.gz WNBQUUXWPDCLBL-SURDOKLXSA-N -1 0 512.731 7.151 1 0 KKAFRM O=C1c2ccccc2S[C@H](c2c[nH]c3ccccc32)N1c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000045288173 562660262 /nfs/dbraw/zinc/66/02/62/562660262.db2.gz WCJIXYBECUTCQM-HHHXNRCGSA-N -1 0 512.616 5.815 1 0 KKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000045356987 562661961 /nfs/dbraw/zinc/66/19/61/562661961.db2.gz PUGHDSORZNLDBF-AREMUKBSSA-N -1 0 513.556 6.819 1 0 KKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccc(Cl)cc3)ccc2CCC(=O)[O-])c1 ZINC000045367102 562662090 /nfs/dbraw/zinc/66/20/90/562662090.db2.gz GDNZFYOGEPYRIK-NDEPHWFRSA-N -1 0 508.058 7.070 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCC(N)=O)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000045386194 562662373 /nfs/dbraw/zinc/66/23/73/562662373.db2.gz LSAUJWASMPVJKC-UHFFFAOYSA-N -1 0 503.064 5.751 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)cc3F)ccc2CCC(=O)[O-])c1 ZINC000045387711 562662451 /nfs/dbraw/zinc/66/24/51/562662451.db2.gz ANXDYLMRCATVOP-HHHXNRCGSA-N -1 0 509.593 6.695 1 0 KKAFRM C/C=C(\CC[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCc4cc(OS(=O)(=O)[O-])ccc4[C@H]3CC[C@]12C)C(C)C ZINC000049033817 562663472 /nfs/dbraw/zinc/66/34/72/562663472.db2.gz BGCSDXFDUOTODX-NMDKGTOKSA-N -1 0 506.705 5.445 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049590143 562664896 /nfs/dbraw/zinc/66/48/96/562664896.db2.gz HVHUEJBEIAHANE-UHFFFAOYSA-N -1 0 601.603 5.958 1 0 KKAFRM O=C([O-])[C@@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccccc1)NC(=O)c1ccc2ccccc2n1 ZINC000049605921 562666409 /nfs/dbraw/zinc/66/64/09/562666409.db2.gz QGVRHUVGSKYQFD-JBIUEMIMSA-N -1 0 697.792 5.064 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1cccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)c1 ZINC000049606040 562666505 /nfs/dbraw/zinc/66/65/05/562666505.db2.gz NPKPHYMPJDGINZ-NDEPHWFRSA-N -1 0 543.541 8.078 1 0 KKAFRM O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049639195 562667662 /nfs/dbraw/zinc/66/76/62/562667662.db2.gz WQZXEQMWHCKBCL-UHFFFAOYSA-N -1 0 578.204 6.284 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000049654751 562668140 /nfs/dbraw/zinc/66/81/40/562668140.db2.gz DSSFBALWDNXHPN-SIABPNFTSA-N -1 0 733.780 6.798 1 0 KKAFRM CNc1ncc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]1(C)C2 ZINC000049694696 562669641 /nfs/dbraw/zinc/66/96/41/562669641.db2.gz DBMFKTYFISFQJR-FPFQSWSYSA-N -1 0 519.774 7.418 1 0 KKAFRM COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)sc2n1 ZINC000049709471 562671340 /nfs/dbraw/zinc/67/13/40/562671340.db2.gz DHBRPNVHJRZIDB-OAQYLSRUSA-N -1 0 537.667 5.198 1 0 KKAFRM COc1cc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(OC)c1OC ZINC000049709670 562671423 /nfs/dbraw/zinc/67/14/23/562671423.db2.gz LKTVUCUKEOYSRD-NDEPHWFRSA-N -1 0 563.657 5.360 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(-c2cn(CC(=O)NC3c4ccccc4-c4ccccc43)nn2)c1-c1ccccc1 ZINC000049745591 562673941 /nfs/dbraw/zinc/67/39/41/562673941.db2.gz PVTRTYJQMTWDJI-UHFFFAOYSA-N -1 0 555.594 5.394 1 0 KKAFRM Cc1ccc(NC(=O)c2nc(C(F)(F)F)[n-]c2-c2ccc(F)c(F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049746809 562674581 /nfs/dbraw/zinc/67/45/81/562674581.db2.gz OLAQMONZFSBMQC-UHFFFAOYSA-N -1 0 554.479 5.925 1 0 KKAFRM COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)C=Cc2ccc(Cl)cc2)ccc1O ZINC000049757274 562675807 /nfs/dbraw/zinc/67/58/07/562675807.db2.gz NIYHQUIWIATXSH-WJAIWINCSA-N -1 0 647.032 5.280 1 0 KKAFRM COc1ccc(-c2nc(SCc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049774733 562678725 /nfs/dbraw/zinc/67/87/25/562678725.db2.gz SEGVHTKMRUXMIQ-UHFFFAOYSA-N -1 0 528.051 6.903 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)[O-] ZINC000049774853 562678769 /nfs/dbraw/zinc/67/87/69/562678769.db2.gz NHZFTKDZUNZWTC-UHFFFAOYSA-N -1 0 592.717 7.332 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1F ZINC000049775068 562678865 /nfs/dbraw/zinc/67/88/65/562678865.db2.gz WLXLWVOPXADBHF-UHFFFAOYSA-N -1 0 563.525 6.874 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049775072 562678881 /nfs/dbraw/zinc/67/88/81/562678881.db2.gz NHWROCHQYZURRQ-UHFFFAOYSA-N -1 0 545.535 6.735 1 0 KKAFRM COc1ccc(-c2nc(SCCOc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049775064 562678892 /nfs/dbraw/zinc/67/88/92/562678892.db2.gz RFSGIEKVKPECRC-UHFFFAOYSA-N -1 0 558.077 6.782 1 0 KKAFRM CCCCCc1ccc(CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000049775153 562678910 /nfs/dbraw/zinc/67/89/10/562678910.db2.gz KAFQIBSMOBGLGU-BOALQFNTSA-N -1 0 693.841 5.030 1 0 KKAFRM COc1ccc(-c2nc(SCCCCOc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049775275 562678957 /nfs/dbraw/zinc/67/89/57/562678957.db2.gz QPMSGYPLYWKSPZ-UHFFFAOYSA-N -1 0 586.131 7.562 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(SC(F)(F)F)cc2)cc1 ZINC000049775368 562679042 /nfs/dbraw/zinc/67/90/42/562679042.db2.gz JHIWYVMIZVLOMZ-UHFFFAOYSA-N -1 0 561.603 7.448 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc4[nH]c(=O)oc4c3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049775452 562679069 /nfs/dbraw/zinc/67/90/69/562679069.db2.gz ZNAIOXHNTVGEJB-UHFFFAOYSA-N -1 0 572.517 6.161 1 0 KKAFRM Cc1cn(Cc2ccc(F)c(F)c2)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)no1 ZINC000049777071 562679592 /nfs/dbraw/zinc/67/95/92/562679592.db2.gz FZNGBHCZAVIIKY-UHFFFAOYSA-N -1 0 572.417 7.239 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049778049 562680826 /nfs/dbraw/zinc/68/08/26/562680826.db2.gz AKKSTCSPKUCDST-UHFFFAOYSA-N -1 0 583.559 7.579 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)NCCC[C@H](NC(=O)OCc5ccccc5)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000049780054 562681329 /nfs/dbraw/zinc/68/13/29/562681329.db2.gz HJFJAHHDRLZKFV-LVILDXMWSA-N -1 0 636.830 6.409 1 0 KKAFRM C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049781194 562682780 /nfs/dbraw/zinc/68/27/80/562682780.db2.gz KFXHQWRXIHSFQV-OAUONFCTSA-N -1 0 551.398 5.440 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049781271 562682839 /nfs/dbraw/zinc/68/28/39/562682839.db2.gz FTITXPXYYRBMKO-UHFFFAOYSA-N -1 0 626.653 7.353 1 0 KKAFRM Cc1cccc(Nc2cc(Cl)nc(S[C@H](C(=O)[O-])c3ccc(-c4ccccc4)c4ccccc43)n2)c1C ZINC000049781378 562683043 /nfs/dbraw/zinc/68/30/43/562683043.db2.gz HSUVSHFOIBHSHP-NDEPHWFRSA-N -1 0 526.061 8.229 1 0 KKAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccc(OCc3ccccc3)cc1CC2 ZINC000049783634 562683139 /nfs/dbraw/zinc/68/31/39/562683139.db2.gz ROUBQZIVZZVTBE-CUJVHFRDSA-N -1 0 630.722 5.370 1 0 KKAFRM Cc1cc(OCc2nc(-c3cnc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049785234 562683946 /nfs/dbraw/zinc/68/39/46/562683946.db2.gz HGCSAPWXXIVITD-UHFFFAOYSA-N -1 0 559.497 5.835 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc([N-]S(=O)(=O)c2ccc(F)c(F)c2)o1 ZINC000049785802 562684088 /nfs/dbraw/zinc/68/40/88/562684088.db2.gz BNWORVIARAMAHR-UHFFFAOYSA-N -1 0 567.376 6.573 1 0 KKAFRM Cc1cn(Cc2ccc(F)c(F)c2)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)nn1C ZINC000049792767 562684527 /nfs/dbraw/zinc/68/45/27/562684527.db2.gz HLHSWWINFAXUTF-UHFFFAOYSA-N -1 0 585.460 6.985 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCS(=O)(=O)NCc2ccccc2)cc1 ZINC000049794072 562685374 /nfs/dbraw/zinc/68/53/74/562685374.db2.gz YWRBOIVDCFGLHB-UHFFFAOYSA-N -1 0 679.238 7.914 1 0 KKAFRM NS(=O)(=O)C(F)(F)c1cc(-c2ccc(CSCc3ccc(C(F)(F)S(=O)(=O)[O-])c(Br)c3)cc2)ccc1Br ZINC000049802780 562685910 /nfs/dbraw/zinc/68/59/10/562685910.db2.gz YGWVYKJMHQLJHD-UHFFFAOYSA-N -1 0 707.381 6.587 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncc(Br)cn3)CC2)c1 ZINC000049803080 562686037 /nfs/dbraw/zinc/68/60/37/562686037.db2.gz MGWSCLURDWBGKM-UHFFFAOYSA-N -1 0 631.593 5.473 1 0 KKAFRM C[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000049853637 562689061 /nfs/dbraw/zinc/68/90/61/562689061.db2.gz GKQYYVGEGDRSBE-DHIUTWEWSA-N -1 0 637.209 7.854 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c21 ZINC000049867411 562689481 /nfs/dbraw/zinc/68/94/81/562689481.db2.gz JMZBMOOLKLBBCW-UHFFFAOYSA-N -1 0 535.596 6.457 1 0 KKAFRM CCCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049877961 562690372 /nfs/dbraw/zinc/69/03/72/562690372.db2.gz ZYRJMDMVFWCAJH-UHFFFAOYSA-N -1 0 538.047 7.698 1 0 KKAFRM COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@@H](C)C(=O)[O-])c3)c3cc(OC(F)(F)F)ccc32)cc1 ZINC000049878168 562690469 /nfs/dbraw/zinc/69/04/69/562690469.db2.gz FNFJGCIYIRZSBN-KRWDZBQOSA-N -1 0 527.495 5.988 1 0 KKAFRM COCCCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)[O-])c(C)c1C ZINC000049881838 562691213 /nfs/dbraw/zinc/69/12/13/562691213.db2.gz SGBHWSPPZXFKMP-UHFFFAOYSA-N -1 0 550.595 6.931 1 0 KKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000049888725 562691425 /nfs/dbraw/zinc/69/14/25/562691425.db2.gz VUUCQWPIEJNXMP-XSBVVTFOSA-N -1 0 537.022 8.221 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccn2)cc1 ZINC000049889184 562691867 /nfs/dbraw/zinc/69/18/67/562691867.db2.gz ZXEVUPIDMHWCMC-UHFFFAOYSA-N -1 0 680.226 7.309 1 0 KKAFRM CC(=O)N(CCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000049918221 562694615 /nfs/dbraw/zinc/69/46/15/562694615.db2.gz SFXQZNSONSORHP-RPWUZVMVSA-N -1 0 654.232 7.885 1 0 KKAFRM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000049918216 562694617 /nfs/dbraw/zinc/69/46/17/562694617.db2.gz KJERMCGZUOOLBP-PKTZIBPZSA-N -1 0 640.205 7.495 1 0 KKAFRM COc1c(Br)c(Br)c(Br)c(Br)c1Oc1cc(Br)cc(Br)c1[O-] ZINC000049942476 562695532 /nfs/dbraw/zinc/69/55/32/562695532.db2.gz TXONIAFKISXPIY-UHFFFAOYSA-N -1 0 689.612 7.768 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)c(Cl)s3)cc2Cl)CC1 ZINC000053297405 562697439 /nfs/dbraw/zinc/69/74/39/562697439.db2.gz MIYIDWPFDUCKKY-UHFFFAOYSA-N -1 0 563.360 6.223 1 0 KKAFRM COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]ccc2-c2ccc(C(=O)[O-])s2)cc1 ZINC000053314333 562697677 /nfs/dbraw/zinc/69/76/77/562697677.db2.gz UPCRMUKTOSKWMG-UYRXBGFRSA-N -1 0 500.536 5.587 1 0 KKAFRM COc1cnc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)nc1 ZINC000058581633 562699841 /nfs/dbraw/zinc/69/98/41/562699841.db2.gz XIPYFDKZPWWWGS-UHFFFAOYSA-N -1 0 624.807 7.982 1 0 in-vivo KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000058650471 562701308 /nfs/dbraw/zinc/70/13/08/562701308.db2.gz YNXMROBGLVIHQA-UHFFFAOYSA-N -1 0 594.373 7.715 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000059200479 562701832 /nfs/dbraw/zinc/70/18/32/562701832.db2.gz VYPAPFHUHDWCBI-QQAPFUPGSA-N -1 0 552.796 7.930 1 0 biogenic,in-vitro KKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(OCc2cc(F)cc(F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000059260986 562701943 /nfs/dbraw/zinc/70/19/43/562701943.db2.gz RHTCSQQCFNRGMX-JOCHJYFZSA-N -1 0 512.902 8.097 1 0 KKAFRM CCCCCS(=O)(=O)[N-]C(=O)/C=C/c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000059581817 562702070 /nfs/dbraw/zinc/70/20/70/562702070.db2.gz SCGVVJKHPNMMJC-VQHVLOKHSA-N -1 0 550.983 5.221 1 0 KKAFRM C[C@@H](C1=NO[C@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1)c1ccccc1 ZINC000059630053 562702096 /nfs/dbraw/zinc/70/20/96/562702096.db2.gz QYLJGOVKEZPOFK-GVQLWFBZSA-N -1 0 568.457 5.696 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(CCc2ccccc2)=NO1 ZINC000059629602 562702105 /nfs/dbraw/zinc/70/21/05/562702105.db2.gz WJPASWZVFKGVAF-OUTSHDOLSA-N -1 0 568.457 5.525 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)cc(C)c1 ZINC000060327314 562702723 /nfs/dbraw/zinc/70/27/23/562702723.db2.gz YRJCEWMAXISNJN-XMMPIXPASA-N -1 0 545.079 6.947 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1OCCc1cc([C@@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccccc1 ZINC000064499412 562706024 /nfs/dbraw/zinc/70/60/24/562706024.db2.gz ZCLLIILYTXNCDV-HHHXNRCGSA-N -1 0 578.008 6.807 1 0 KKAFRM CC(C)N(C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@@H](Nc2cccc(C(=O)[O-])c2)C1=O)c1ccccc1 ZINC000064527461 562706935 /nfs/dbraw/zinc/70/69/35/562706935.db2.gz NDYDWAHMAKSSPE-SSEXGKCCSA-N -1 0 586.652 5.574 1 0 KKAFRM C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(Cl)cc1Br)CC2)c1ccc(C(=O)[O-])cc1 ZINC000066058929 562709193 /nfs/dbraw/zinc/70/91/93/562709193.db2.gz JPZOWWXXFWKUHT-HNNXBMFYSA-N -1 0 513.819 5.854 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 ZINC000066058827 562709202 /nfs/dbraw/zinc/70/92/02/562709202.db2.gz SBJWFJAFNSJVJI-QGZVFWFLSA-N -1 0 607.507 6.828 1 0 KKAFRM Cc1cc(CCC[P@@](=O)([O-])O)cc(C)c1-c1nc2cc(C(=O)Nc3ccc4ccccc4n3)ccc2[nH]1 ZINC000066066675 562709466 /nfs/dbraw/zinc/70/94/66/562709466.db2.gz NJJFGPCFHQFTLE-UHFFFAOYSA-N -1 0 514.522 5.758 1 0 KKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc(Oc3ccccc3)cc2)n1)c1cccc2ccccc21 ZINC000066074934 562709912 /nfs/dbraw/zinc/70/99/12/562709912.db2.gz XCZCQCJVOKNAGM-AREMUKBSSA-N -1 0 514.006 7.737 1 0 KKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc(C3CCCCC3)cc2)n1)c1cccc2ccccc21 ZINC000066074926 562709916 /nfs/dbraw/zinc/70/99/16/562709916.db2.gz CDQQRNAFXCNQJD-SANMLTNESA-N -1 0 504.055 7.993 1 0 KKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1)c1cccc2ccccc21 ZINC000066074937 562709917 /nfs/dbraw/zinc/70/99/17/562709917.db2.gz AJJXVXYQWTUPTR-SANMLTNESA-N -1 0 541.032 7.197 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2nc(C(=O)[O-])ccc2c1 ZINC000066077321 562710292 /nfs/dbraw/zinc/71/02/92/562710292.db2.gz HJPURTGCCOPYCV-UHFFFAOYSA-N -1 0 547.438 8.573 1 0 KKAFRM O=C([O-])c1sc(NC(=O)[C@@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)nc1C(F)(F)F ZINC000066099221 562711065 /nfs/dbraw/zinc/71/10/65/562711065.db2.gz TXEYKZGDICALBP-LJQANCHMSA-N -1 0 598.981 7.569 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000066099205 562711067 /nfs/dbraw/zinc/71/10/67/562711067.db2.gz KJWQNECZDCDIEY-VWLOTQADSA-N -1 0 591.964 8.112 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)NC3CCCCC3)nn2)cc1 ZINC000066112674 562712102 /nfs/dbraw/zinc/71/21/02/562712102.db2.gz ZRWLFPIOUVCPTH-UHFFFAOYSA-N -1 0 502.571 5.300 1 0 KKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)c1cccc2ccccc21 ZINC000066136569 562713232 /nfs/dbraw/zinc/71/32/32/562713232.db2.gz STGVYDJSBFWSES-HHHXNRCGSA-N -1 0 512.034 7.536 1 0 KKAFRM C[C@@H](c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)n1)c1ccc(Cl)cc1 ZINC000066251366 562714487 /nfs/dbraw/zinc/71/44/87/562714487.db2.gz IUHASURCYMLNOI-GOSISDBHSA-N -1 0 571.983 6.507 1 0 KKAFRM CC1(C)CC[C@]2(COC(=O)CCCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000066258581 562715023 /nfs/dbraw/zinc/71/50/23/562715023.db2.gz WGMAUSSPMJLUMF-PLRBHBQHSA-N -1 0 554.812 8.155 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000071294764 562717002 /nfs/dbraw/zinc/71/70/02/562717002.db2.gz XPYLXWHAAHYDID-UHFFFAOYSA-N -1 0 605.090 8.171 1 0 KKAFRM CNC(=O)c1ccc(-c2ccc(C(C)=O)s2)c(COc2ccc(-c3cc(C=C(C)C(=O)[O-])nn3C3CCCCC3)cc2)c1 ZINC000071295222 562717167 /nfs/dbraw/zinc/71/71/67/562717167.db2.gz XVBHRARYLVWQGT-HEHNFIMWSA-N -1 0 597.737 7.413 1 0 KKAFRM CCCCN(c1ccc(F)c(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071296934 562717646 /nfs/dbraw/zinc/71/76/46/562717646.db2.gz XLKHHIOJLZGOJN-LJQANCHMSA-N -1 0 534.049 6.610 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071297002 562717719 /nfs/dbraw/zinc/71/77/19/562717719.db2.gz FMXAKYUKNGWYKW-OAQYLSRUSA-N -1 0 530.086 6.780 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C2CCCCC2)c1 ZINC000071317454 562718264 /nfs/dbraw/zinc/71/82/64/562718264.db2.gz NVKZKIFSGZJJKK-HSZRJFAPSA-N -1 0 584.178 8.210 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1C ZINC000071317744 562718328 /nfs/dbraw/zinc/71/83/28/562718328.db2.gz HGCKNDJQWNRSRA-UHFFFAOYSA-N -1 0 516.059 6.391 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1[C@@](C)(OC(=O)OCC)c1ccc(Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000071318230 562718463 /nfs/dbraw/zinc/71/84/63/562718463.db2.gz AURIMXYPFAHNPS-MHZLTWQESA-N -1 0 553.019 5.242 1 0 in-man KKAFRM Cc1ccc(-c2nc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)ncc2-c2ccc3c(c2)OCCO3)c(F)c1 ZINC000071318325 562718490 /nfs/dbraw/zinc/71/84/90/562718490.db2.gz MAZYNSFCRNJVOU-UHFFFAOYSA-N -1 0 604.638 5.843 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(F)c1OC ZINC000071318617 562718549 /nfs/dbraw/zinc/71/85/49/562718549.db2.gz LDQJXWUERFBNNP-GOSISDBHSA-N -1 0 550.048 6.310 1 0 KKAFRM Nc1ccn(C[C@@H](CO)OC[P@@](=O)([O-])OCCCOCCCCCCCCCCCCCCC2CC2)c(=O)n1 ZINC000071318635 562718575 /nfs/dbraw/zinc/71/85/75/562718575.db2.gz CSURBSOAWUITNT-SANMLTNESA-N -1 0 573.712 5.251 1 0 KKAFRM COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2-c2ccc(C)cc2)cc1 ZINC000071319015 562718685 /nfs/dbraw/zinc/71/86/85/562718685.db2.gz JSEMFKSLBFOVOB-UHFFFAOYSA-N -1 0 558.638 5.941 1 0 KKAFRM CC(C)C[C@@H]1c2ccc(Cl)cc2[C@@H](c2ccccc2Cl)CN(CC(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000071330744 562719196 /nfs/dbraw/zinc/71/91/96/562719196.db2.gz MJBBWPDFYUSKKR-DNQXCXABSA-N -1 0 531.480 5.420 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCOCC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071333587 562719480 /nfs/dbraw/zinc/71/94/80/562719480.db2.gz MBYWXTMRUQHKQQ-SFQUDFHCSA-N -1 0 606.723 6.304 1 0 KKAFRM CCn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000071334340 562719594 /nfs/dbraw/zinc/71/95/94/562719594.db2.gz YOECBZVKOXPFLW-SFQUDFHCSA-N -1 0 567.686 7.214 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccc2ncccc2c1 ZINC000071334780 562719609 /nfs/dbraw/zinc/71/96/09/562719609.db2.gz SMRAIXWQAPUYQX-DEDYPNTBSA-N -1 0 614.746 7.686 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cccc2cc[nH]c21 ZINC000071334942 562719618 /nfs/dbraw/zinc/71/96/18/562719618.db2.gz QSIWGDIMRBTESD-XMHGGMMESA-N -1 0 602.735 7.619 1 0 KKAFRM CC(C)c1oc(-c2c(Cl)cccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc12 ZINC000071334695 562719641 /nfs/dbraw/zinc/71/96/41/562719641.db2.gz JKHABVUUTCGBBW-UHFFFAOYSA-N -1 0 503.382 6.940 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccncc1 ZINC000071335028 562719700 /nfs/dbraw/zinc/71/97/00/562719700.db2.gz ZYVSDLTWWIAQID-LFIBNONCSA-N -1 0 564.686 6.533 1 0 KKAFRM CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c1)C(=O)[O-] ZINC000071340789 562719836 /nfs/dbraw/zinc/71/98/36/562719836.db2.gz SLSLHZJNGCVCPJ-SFHVURJKSA-N -1 0 512.400 5.833 1 0 KKAFRM COc1ccc(S(=O)(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)[O-])c(OC)c1 ZINC000071341236 562719918 /nfs/dbraw/zinc/71/99/18/562719918.db2.gz LOZJCKZHZHKGGX-FYKVXSFUSA-N -1 0 525.733 5.588 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000071341528 562719970 /nfs/dbraw/zinc/71/99/70/562719970.db2.gz APCXLUWQBOPWPN-CCQZMSTDSA-N -1 0 501.661 5.849 1 0 KKAFRM Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(c2ccccc2)CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000071341942 562720104 /nfs/dbraw/zinc/72/01/04/562720104.db2.gz OCODBOVHAUUCAN-FITHBNAOSA-N -1 0 590.724 6.002 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000071341922 562720121 /nfs/dbraw/zinc/72/01/21/562720121.db2.gz BXPXLCBYUIMGMN-JHCVUJRGSA-N -1 0 507.718 5.773 1 0 KKAFRM CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c1 ZINC000072106274 562720975 /nfs/dbraw/zinc/72/09/75/562720975.db2.gz IHCDYAISXHSACV-IGKIAQTJSA-N -1 0 500.676 5.800 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@@H](Oc3ccc(-c4ccccc4)cc3)C(=O)[O-])ccc2o1 ZINC000072113479 562722355 /nfs/dbraw/zinc/72/23/55/562722355.db2.gz ICXYBGRALGEOCH-JGCGQSQUSA-N -1 0 558.634 7.708 1 0 KKAFRM CCCC/C(=C\c1cc(OCCC2CCCCC2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000072113498 562722385 /nfs/dbraw/zinc/72/23/85/562722385.db2.gz QPKAYINZLBQUEJ-PTGBLXJZSA-N -1 0 504.589 8.292 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000072113418 562722397 /nfs/dbraw/zinc/72/23/97/562722397.db2.gz KGYQXMLYIWZACL-RCCKNPSSSA-N -1 0 552.511 8.540 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCC(C(=O)[O-])CC2)c(OC(C)C)c1 ZINC000072113700 562722448 /nfs/dbraw/zinc/72/24/48/562722448.db2.gz AOOPKPSXUALIGS-WDYNHAJCSA-N -1 0 610.538 7.251 1 0 KKAFRM CCOc1cc(Cl)cc([C@H](O)c2ccccc2OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000072113738 562722458 /nfs/dbraw/zinc/72/24/58/562722458.db2.gz OMUCCFWFAYQSKF-GDLZYMKVSA-N -1 0 589.129 5.312 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)c(C)c1 ZINC000072114895 562722844 /nfs/dbraw/zinc/72/28/44/562722844.db2.gz XRIZHIWNZHWNQG-UHFFFAOYSA-N -1 0 578.731 5.917 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C(=O)[O-])nn1 ZINC000072116648 562723160 /nfs/dbraw/zinc/72/31/60/562723160.db2.gz PFFJPRTXSCCLIU-DBZIORCRSA-N -1 0 556.707 6.915 1 0 KKAFRM CC(C)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3OC(F)(F)F)cn2)cc1)C(=O)[O-] ZINC000072126917 562725567 /nfs/dbraw/zinc/72/55/67/562725567.db2.gz MGBNOGBOLVODFZ-NRFANRHFSA-N -1 0 516.476 5.130 1 0 KKAFRM CC(=O)n1cc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]1(C)C2 ZINC000072170994 562730460 /nfs/dbraw/zinc/73/04/60/562730460.db2.gz FCRHENABFDYBAH-CEJXBKOESA-N -1 0 520.758 7.443 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(-c7ccc(Cl)cc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000072173231 562730871 /nfs/dbraw/zinc/73/08/71/562730871.db2.gz LAFKIIOKFLZMFD-CZBYLUSZSA-N -1 0 589.264 9.426 1 0 KKAFRM CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1OC(=O)CCC ZINC000072175496 562731342 /nfs/dbraw/zinc/73/13/42/562731342.db2.gz JLLOYYUTCOWKHA-ZVLAZMDXSA-N -1 0 612.892 8.906 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O[C@@H](C)c3cccc(C(F)(F)F)c3)cc2)cc1)C(=O)[O-] ZINC000073137821 562733364 /nfs/dbraw/zinc/73/33/64/562733364.db2.gz HDZRQSNVDCCUNF-BXKMTCNYSA-N -1 0 521.557 5.900 1 0 KKAFRM Cc1cc(COc2ccc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc3)cc2)c2ccccc2n1 ZINC000073138603 562733387 /nfs/dbraw/zinc/73/33/87/562733387.db2.gz OYJHJMVVIQMCQV-HHHXNRCGSA-N -1 0 504.608 5.177 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073161778 562734155 /nfs/dbraw/zinc/73/41/55/562734155.db2.gz WMWGEXYVYKDABP-UHFFFAOYSA-N -1 0 623.819 8.587 1 0 KKAFRM COc1ccc(CC(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000073162511 562734179 /nfs/dbraw/zinc/73/41/79/562734179.db2.gz SLFGXMKUSRPNKI-UHFFFAOYSA-N -1 0 513.512 6.309 1 0 KKAFRM CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(OC)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000073195987 562735015 /nfs/dbraw/zinc/73/50/15/562735015.db2.gz TVVIPGYJDALCDA-DEOSSOPVSA-N -1 0 608.657 7.484 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)NCCC(=O)[O-])c(OC(C)C)c1 ZINC000073197727 562735452 /nfs/dbraw/zinc/73/54/52/562735452.db2.gz ZDZZQXQVYGOTBX-SXOMAYOGSA-N -1 0 570.473 6.518 1 0 KKAFRM C[C@@H](Oc1cc(Cn2c(=O)n(-c3noc4ccc(Cl)cc43)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)[O-] ZINC000073198892 562735862 /nfs/dbraw/zinc/73/58/62/562735862.db2.gz OXZWLJPDBCZRPK-GFCCVEGCSA-N -1 0 566.319 6.159 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000073200181 562736100 /nfs/dbraw/zinc/73/61/00/562736100.db2.gz REMAUYKGNWITHN-SVHBZYFPSA-N -1 0 589.842 9.541 1 0 KKAFRM COc1ccc(C(c2ccc(OC)cc2)c2ccc(=O)n(CCCc3cccc(OCC(=O)[O-])c3)c2)cc1 ZINC000073224016 562736556 /nfs/dbraw/zinc/73/65/56/562736556.db2.gz VAMJAMNDXCMSIY-UHFFFAOYSA-N -1 0 513.590 5.142 1 0 KKAFRM C=C(C(=O)C[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@@H](C)CO ZINC000073280882 562737462 /nfs/dbraw/zinc/73/74/62/562737462.db2.gz RXLLRXGUFZUAPE-ISECCSEGSA-N -1 0 558.756 5.173 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(Cl)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137925 562739036 /nfs/dbraw/zinc/73/90/36/562739036.db2.gz WWMAHANWTGOETR-UHFFFAOYSA-N -1 0 644.237 8.932 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)nc1 ZINC000082138072 562739162 /nfs/dbraw/zinc/73/91/62/562739162.db2.gz NRQRGTDPLVJDKA-UHFFFAOYSA-N -1 0 661.790 9.597 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000082154841 562740410 /nfs/dbraw/zinc/74/04/10/562740410.db2.gz DAUMTLVRTBXRDU-NGKXTOPJSA-N -1 0 521.723 7.814 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(=O)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2cc(C(F)(F)F)ccc21 ZINC000082155190 562740474 /nfs/dbraw/zinc/74/04/74/562740474.db2.gz RWBHUSIDRJJGGU-ZDUSSCGKSA-N -1 0 561.900 5.514 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(-c2cccc(CC(=O)[O-])c2)n1 ZINC000082158119 562741023 /nfs/dbraw/zinc/74/10/23/562741023.db2.gz CGJUPBWRNWJEHX-UHFFFAOYSA-N -1 0 533.654 5.657 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000082181740 562741892 /nfs/dbraw/zinc/74/18/92/562741892.db2.gz CGNJSLAZLYEAJR-CKNBGKRWSA-N -1 0 667.850 5.300 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(Cl)cc3Cl)ccc2c1 ZINC000082186049 562742363 /nfs/dbraw/zinc/74/23/63/562742363.db2.gz HMJZQHVGQIYCRF-HKBQPEDESA-N -1 0 638.573 7.998 1 0 KKAFRM C[C@H](C[C@](O)(CC(=O)[O-])[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@H](CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1 ZINC000084403320 562743002 /nfs/dbraw/zinc/74/30/02/562743002.db2.gz CPYFCYMXHGAZTF-PGCQRRIJSA-N -1 0 516.719 5.295 1 0 KKAFRM Cc1cccc(C)c1-c1noc(C(C)C)c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000084596371 562743678 /nfs/dbraw/zinc/74/36/78/562743678.db2.gz VLMYZWRNHUTQEF-UHFFFAOYSA-N -1 0 609.122 8.859 1 0 KKAFRM [O-]c1c(Br)cc([C@@H](O)c2nccc3c4cc(Br)ccc4[nH]c32)cc1Br ZINC000084652567 562746564 /nfs/dbraw/zinc/74/65/64/562746564.db2.gz AUGUEGFHBNYNML-QGZVFWFLSA-N -1 0 527.010 5.791 1 0 KKAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)NCCCCN(C)C1=O ZINC000084655384 562747473 /nfs/dbraw/zinc/74/74/73/562747473.db2.gz XIYIXIHBQDGDQZ-UHFFFAOYSA-N -1 0 576.719 5.153 1 0 KKAFRM CC(C)N(Cc1ccc(OCCCCCC(=O)[O-])cc1)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000084668747 562747801 /nfs/dbraw/zinc/74/78/01/562747801.db2.gz JNKFIVXQLNRBJA-UHFFFAOYSA-N -1 0 503.595 6.157 1 0 KKAFRM CCCCc1nc2ccc(F)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000084690207 562749538 /nfs/dbraw/zinc/74/95/38/562749538.db2.gz ZQVLYQIYBWIADD-UHFFFAOYSA-N -1 0 532.641 6.639 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1c(Cl)cccc1Cl)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084710270 562750451 /nfs/dbraw/zinc/75/04/51/562750451.db2.gz OMTXFQXTLSQCDH-DEOSSOPVSA-N -1 0 612.522 9.292 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](CCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711125 562750618 /nfs/dbraw/zinc/75/06/18/562750618.db2.gz DUZVPJRZUHZSMN-SANMLTNESA-N -1 0 571.686 8.765 1 0 KKAFRM O=C([O-])CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2ccc3ccccc3c2)c1 ZINC000084712700 562750838 /nfs/dbraw/zinc/75/08/38/562750838.db2.gz ZHWCOZGICFMGBP-BFGDYUKKSA-N -1 0 503.664 5.555 1 0 KKAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C(C)C)CCCCN(C)C1=O ZINC000084727890 562751396 /nfs/dbraw/zinc/75/13/96/562751396.db2.gz ODGAWHHEVLFTOL-UHFFFAOYSA-N -1 0 618.800 6.274 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc3ccccc32)cc1 ZINC000084758604 562752683 /nfs/dbraw/zinc/75/26/83/562752683.db2.gz HKPWBKFHHQJTTC-UHFFFAOYSA-N -1 0 509.646 7.581 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccc(F)c(F)c1)c1ccncc1 ZINC000095541687 562756258 /nfs/dbraw/zinc/75/62/58/562756258.db2.gz QOONAMFSJFYYLA-XOKHWMEBSA-N -1 0 773.857 12.484 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2cccc(Cl)c2Cl)cc1 ZINC000095542609 562756832 /nfs/dbraw/zinc/75/68/32/562756832.db2.gz XYIFJJRIOLNKSU-UHFFFAOYSA-N -1 0 748.128 9.221 1 0 KKAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](C(=O)[O-])[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000095545505 562758100 /nfs/dbraw/zinc/75/81/00/562758100.db2.gz MYTKTLWEZUKQFU-JXYNCMOTSA-N -1 0 794.946 5.405 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCCOc3cccc(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095549016 562759704 /nfs/dbraw/zinc/75/97/04/562759704.db2.gz GHSGMJSHLMJZMQ-IQEGRXIQSA-N -1 0 779.799 5.400 1 0 KKAFRM CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)[O-])ccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095563266 562763900 /nfs/dbraw/zinc/76/39/00/562763900.db2.gz URCIOERTSWRWBE-UHFFFAOYSA-N -1 0 535.560 5.160 1 0 in-vitro KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@@H]1C3=O)C(=O)[C@]2(C/C=C(/C)C(=O)[O-])OC4(C)C ZINC000095564061 562764145 /nfs/dbraw/zinc/76/41/45/562764145.db2.gz UYPYPAISERHQAO-GNQPUULBSA-N -1 0 630.778 7.319 1 0 KKAFRM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095568157 562766380 /nfs/dbraw/zinc/76/63/80/562766380.db2.gz ALCLFRAJEMGOIC-LJKQEARRSA-N -1 0 652.667 5.029 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)nc1 ZINC000095572255 562769403 /nfs/dbraw/zinc/76/94/03/562769403.db2.gz NNIWNONAMRUVQG-UHFFFAOYSA-N -1 0 619.722 6.388 1 0 KKAFRM CC(C)CCN(Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000095572936 562769545 /nfs/dbraw/zinc/76/95/45/562769545.db2.gz RUKPAMAXIPDVLG-LJAQVGFWSA-N -1 0 579.625 9.658 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2C(C)C)ccc1-c1ccc2c(c1)c(C(=O)[O-])cn2C ZINC000095573809 562769760 /nfs/dbraw/zinc/76/97/60/562769760.db2.gz UUPGFCHGLFPTBJ-UHFFFAOYSA-N -1 0 550.442 7.911 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095575296 562770302 /nfs/dbraw/zinc/77/03/02/562770302.db2.gz SUNWRFADFOFBAD-DYTRJAOYSA-N -1 0 611.142 7.330 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1csc(-c2ccccc2)n1 ZINC000095575908 562770495 /nfs/dbraw/zinc/77/04/95/562770495.db2.gz HKFQOJJCVZXVTP-HMMYKYKNSA-N -1 0 632.786 7.871 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4cnccn4)c5C4CCCC4)CCC3)ccc21 ZINC000095576857 562770731 /nfs/dbraw/zinc/77/07/31/562770731.db2.gz CMEPPGLFGDFDHT-UHFFFAOYSA-N -1 0 590.684 5.774 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000095577639 562771028 /nfs/dbraw/zinc/77/10/28/562771028.db2.gz OEYHZQYPYDAJBL-QGOAFFKASA-N -1 0 576.697 6.677 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1cccc2cccnc21 ZINC000095578681 562771377 /nfs/dbraw/zinc/77/13/77/562771377.db2.gz DCLUITAUJHOLPO-HMMYKYKNSA-N -1 0 626.757 7.830 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncccn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095579125 562771481 /nfs/dbraw/zinc/77/14/81/562771481.db2.gz GHGJLYCTSZXAOZ-XUTLUUPISA-N -1 0 577.685 6.072 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)cn1 ZINC000095579235 562771485 /nfs/dbraw/zinc/77/14/85/562771485.db2.gz BKGZPHWYUYXNOR-UHFFFAOYSA-N -1 0 619.722 6.388 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095579728 562771611 /nfs/dbraw/zinc/77/16/11/562771611.db2.gz GMRZKVNOAFMURJ-DYTRJAOYSA-N -1 0 577.685 6.072 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccccn4)c5C4CCCC4)CCC3)ccc21 ZINC000095579840 562771641 /nfs/dbraw/zinc/77/16/41/562771641.db2.gz ASOZHTNCGJDKOQ-UHFFFAOYSA-N -1 0 589.696 6.379 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4csc(N)n4)c5C4CCCC4)CCC3)ccc21 ZINC000095579931 562771688 /nfs/dbraw/zinc/77/16/88/562771688.db2.gz DAXORUDEYIDMGH-UHFFFAOYSA-N -1 0 610.740 6.023 1 0 KKAFRM Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cn2)cc1Cl ZINC000095580840 562772007 /nfs/dbraw/zinc/77/20/07/562772007.db2.gz PUINHTIQEGQFLQ-UHFFFAOYSA-N -1 0 511.337 5.660 1 0 KKAFRM O=S(=O)([N-]c1nncs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnnc2)c(C(F)(F)F)c1 ZINC000095581176 562772095 /nfs/dbraw/zinc/77/20/95/562772095.db2.gz GTSQYOXUPSHCRB-UHFFFAOYSA-N -1 0 513.910 5.260 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095583383 562772866 /nfs/dbraw/zinc/77/28/66/562772866.db2.gz ITOFPJRDSCGOSA-KZLRUDJFSA-N -1 0 562.795 6.716 1 0 in-vitro KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095584135 562773137 /nfs/dbraw/zinc/77/31/37/562773137.db2.gz UBXDBQFPMMALSJ-WYSXDVQQSA-N -1 0 539.757 5.940 1 0 KKAFRM COc1ccc2c(c1)c(CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)cn2C(=O)c1ccc(Cl)cc1 ZINC000095585644 562773640 /nfs/dbraw/zinc/77/36/40/562773640.db2.gz FUYJHZZDVJXFEH-UHFFFAOYSA-N -1 0 550.942 5.058 1 0 KKAFRM Cc1cc(S(=O)(=O)[N-]c2ncns2)c(F)cc1Oc1ccc(C(F)(F)F)cc1-c1ccnnc1 ZINC000095585744 562773700 /nfs/dbraw/zinc/77/37/00/562773700.db2.gz AFCZJZMPTLLEDP-UHFFFAOYSA-N -1 0 511.482 5.055 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3ccc(C(=O)[O-])cc3)CC2)nc1 ZINC000095589522 562775010 /nfs/dbraw/zinc/77/50/10/562775010.db2.gz MBOKQVGKPHLGKG-UHFFFAOYSA-N -1 0 561.638 7.049 1 0 KKAFRM CCCCCC(=O)[C@@H](c1c([O-])c(C(C)C)c(CCC)oc1=O)c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O ZINC000095590698 562775366 /nfs/dbraw/zinc/77/53/66/562775366.db2.gz TYQBIKUCEBIOTH-XMMPIXPASA-N -1 0 542.669 6.531 1 0 KKAFRM CC[C@@H](C(=O)[O-])N1Cc2sc(-c3ccc(-c4ccc(N(C)Cc5ccccc5)nc4)cc3)cc2S1(=O)=O ZINC000095601046 562779415 /nfs/dbraw/zinc/77/94/15/562779415.db2.gz YIQHKOLXRWOQMO-QHCPKHFHSA-N -1 0 533.675 5.481 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCn6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095605052 562781328 /nfs/dbraw/zinc/78/13/28/562781328.db2.gz IISRXFUXCNNRJD-IGXJBCQUSA-N -1 0 578.838 8.071 1 0 KKAFRM CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)[O-])nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095605110 562781394 /nfs/dbraw/zinc/78/13/94/562781394.db2.gz WYZIXXCOOAVGGW-CFCWSMIUSA-N -1 0 504.608 5.561 3 0 KKAFRM C/C(=C\c1ccccc1)C(=O)N1Cc2c(cc(I)c(OCc3ccc(Cl)cc3Cl)c2I)C[C@H]1C(=O)[O-] ZINC000095606009 562781800 /nfs/dbraw/zinc/78/18/00/562781800.db2.gz MHBZHSDURLOHON-ARKLPKAPSA-N -1 0 748.182 7.223 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000095605993 562781814 /nfs/dbraw/zinc/78/18/14/562781814.db2.gz MGCRHWARPISENM-HVPBSWBLSA-N -1 0 803.045 8.140 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)CCc1ccccc1 ZINC000095605996 562781846 /nfs/dbraw/zinc/78/18/46/562781846.db2.gz QPXCOAKRFBJAJQ-QFIPXVFZSA-N -1 0 735.278 6.464 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C(F)=C/c1ccccc1 ZINC000095606041 562781853 /nfs/dbraw/zinc/78/18/53/562781853.db2.gz JAHUBVPBDHAKRF-MEPVUFHQSA-N -1 0 752.145 7.130 1 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@H](C(=O)[O-])C3)c1 ZINC000095606016 562781854 /nfs/dbraw/zinc/78/18/54/562781854.db2.gz UMBOWXSZISTANQ-YVSHKSEASA-N -1 0 785.369 5.561 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)/C=C/c1cccc(Br)c1 ZINC000095606036 562781870 /nfs/dbraw/zinc/78/18/70/562781870.db2.gz SZGXVZNOTLGXEV-ZUTVHTERSA-N -1 0 802.197 5.832 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000095606017 562781877 /nfs/dbraw/zinc/78/18/77/562781877.db2.gz QMXHRIQSBVOFJB-DORXLWPQSA-N -1 0 767.707 7.198 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000095606089 562781891 /nfs/dbraw/zinc/78/18/91/562781891.db2.gz IBBMCNQWLANZNV-DORXLWPQSA-N -1 0 751.252 6.684 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000095606077 562781898 /nfs/dbraw/zinc/78/18/98/562781898.db2.gz XOCBIOWJHRQYJA-UVIRAJKCSA-N -1 0 751.252 6.684 1 0 KKAFRM COc1cc(/C=C/C(=O)N2Cc3c(cc(I)c(OCc4ccc(C(F)(F)F)cc4)c3I)C[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000095606097 562781925 /nfs/dbraw/zinc/78/19/25/562781925.db2.gz DQPPRFJRXINUGD-OUZREKFBSA-N -1 0 823.340 6.571 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2cc(OC)c(OC)c(OC)c2)nc1OCCNS(=O)(=O)c1ccc(C)cc1 ZINC000095606345 562782027 /nfs/dbraw/zinc/78/20/27/562782027.db2.gz PKQIJKCKDMECHH-UHFFFAOYSA-N -1 0 779.894 5.955 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000095607004 562782550 /nfs/dbraw/zinc/78/25/50/562782550.db2.gz PTMIARZCGBCJIT-UHFFFAOYSA-N -1 0 748.128 9.221 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2cc(OC)c(OC)c(OC)c2)nc1OCCNS(=O)(=O)c1cccs1 ZINC000095608210 562783419 /nfs/dbraw/zinc/78/34/19/562783419.db2.gz XOQAUJRUGUVSMZ-UHFFFAOYSA-N -1 0 771.896 5.708 1 0 KKAFRM COC(=O)[C@@H](CCNC(=O)c1ccccc1C(=O)[O-])Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc43)cc2)cc1Br ZINC000095608596 562783586 /nfs/dbraw/zinc/78/35/86/562783586.db2.gz YRLJYLHQSJYDKP-MGBGTMOVSA-N -1 0 813.564 9.790 1 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@H](C(=O)[O-])C3)c1 ZINC000095612084 562785256 /nfs/dbraw/zinc/78/52/56/562785256.db2.gz LMTYYEXZUMDWMB-KXOMFBTKSA-N -1 0 729.736 6.188 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccccc1C(F)(F)F ZINC000095612088 562785257 /nfs/dbraw/zinc/78/52/57/562785257.db2.gz XIVZILSLPOQNRA-UVIRAJKCSA-N -1 0 801.259 7.564 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000095613291 562786214 /nfs/dbraw/zinc/78/62/14/562786214.db2.gz PTWWAKFXECSUEE-UHFFFAOYSA-N -1 0 741.309 9.440 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCCCOc3cc(O)cc(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617215 562787924 /nfs/dbraw/zinc/78/79/24/562787924.db2.gz GOWZSEOSFNTDKC-NPHQGNLKSA-N -1 0 809.825 5.496 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCOc3cccc(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617242 562787935 /nfs/dbraw/zinc/78/79/35/562787935.db2.gz QQCDFXCYMYPMAM-WIESDFACSA-N -1 0 765.772 5.010 1 0 KKAFRM CCC[C@@H](Oc1cc(C)c(-n2cnc(C(F)(F)F)c2)c(C)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096170539 562791134 /nfs/dbraw/zinc/79/11/34/562791134.db2.gz GZIUADRPSVKWDX-OAQYLSRUSA-N -1 0 503.521 5.633 1 0 KKAFRM Cc1cc([C@H](CC(C)C)Nc2ccc(C(=O)NCCC(=O)[O-])cn2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000096170573 562791138 /nfs/dbraw/zinc/79/11/38/562791138.db2.gz VCFANZYJCSHEGA-NRFANRHFSA-N -1 0 517.552 5.307 1 0 KKAFRM C[C@H]1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000096171503 562791163 /nfs/dbraw/zinc/79/11/63/562791163.db2.gz QYLYWIBUJSSCSR-LPQFERQCSA-N -1 0 571.507 6.377 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171961 562791203 /nfs/dbraw/zinc/79/12/03/562791203.db2.gz XSAQOCAQXKRVPH-UDYKFFJNSA-N -1 0 664.806 6.400 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@@H]2CCOC(C)(C)C2)c2nc(C)nn21 ZINC000096178255 562792581 /nfs/dbraw/zinc/79/25/81/562792581.db2.gz HVHGLQDEIPZFRM-OAQYLSRUSA-N -1 0 572.641 5.022 1 0 KKAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2ccnn21 ZINC000096178383 562792640 /nfs/dbraw/zinc/79/26/40/562792640.db2.gz YYIXLDLYKWJMMC-UHFFFAOYSA-N -1 0 611.743 5.711 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccs2)=NO1 ZINC000096271092 562793704 /nfs/dbraw/zinc/79/37/04/562793704.db2.gz UZMPGYHTIJXBAW-AVRWGWEMSA-N -1 0 546.432 5.002 1 0 KKAFRM O=C([O-])CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5nc(-c6ccccc6)oc5C(F)(F)F)ccc4[nH]3)cc2)CC1 ZINC000096273600 562794589 /nfs/dbraw/zinc/79/45/89/562794589.db2.gz OTWNXWHEBKCAMK-UHFFFAOYSA-N -1 0 588.586 7.905 1 0 KKAFRM O=C([O-])CCCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283786 562794964 /nfs/dbraw/zinc/79/49/64/562794964.db2.gz KMJLKDVCOPFOAS-DEOSSOPVSA-N -1 0 592.877 6.544 1 0 KKAFRM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000096283811 562795002 /nfs/dbraw/zinc/79/50/02/562795002.db2.gz GELUCZZKUJDMCD-XMMPIXPASA-N -1 0 513.981 5.699 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)c(F)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283809 562795005 /nfs/dbraw/zinc/79/50/05/562795005.db2.gz NQUYDUPBPNGCMU-HSZRJFAPSA-N -1 0 552.389 6.184 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2cccc(F)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284638 562795205 /nfs/dbraw/zinc/79/52/05/562795205.db2.gz PCDUIWHODOQONM-UHFFFAOYSA-N -1 0 720.688 7.397 1 0 KKAFRM Cc1ccccc1CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000096284645 562795242 /nfs/dbraw/zinc/79/52/42/562795242.db2.gz MLDRNTLPZBKFCA-UHFFFAOYSA-N -1 0 716.725 7.566 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2C)cc1 ZINC000096284692 562795264 /nfs/dbraw/zinc/79/52/64/562795264.db2.gz UGHZCBQDMJPEBZ-UHFFFAOYSA-N -1 0 640.802 7.179 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(F)cc2)cc1 ZINC000096284686 562795269 /nfs/dbraw/zinc/79/52/69/562795269.db2.gz GZWGWNPBFHMEHJ-UHFFFAOYSA-N -1 0 644.765 7.010 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2C(F)(F)F)cc1 ZINC000096284683 562795277 /nfs/dbraw/zinc/79/52/77/562795277.db2.gz GFASCHAWPQEYTQ-UHFFFAOYSA-N -1 0 694.772 7.890 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)c1 ZINC000096285485 562795747 /nfs/dbraw/zinc/79/57/47/562795747.db2.gz LLWBBMHHXGZFEC-QNGWXLTQSA-N -1 0 720.851 8.854 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2csc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)C3CCCCC3)n2)c1 ZINC000096285499 562795773 /nfs/dbraw/zinc/79/57/73/562795773.db2.gz YYSAAKZTCLIUTM-NDEPHWFRSA-N -1 0 583.710 6.653 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1[C@H](O)[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)[O-])(C3=O)[C@]41O2 ZINC000096888314 562796652 /nfs/dbraw/zinc/79/66/52/562796652.db2.gz QYRPARUSUFWOPG-PAGZMJJPSA-N -1 0 648.793 6.320 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c6ccccc6[nH]c5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096902200 562797280 /nfs/dbraw/zinc/79/72/80/562797280.db2.gz KHQIRHOYYIASGO-ADDSILEVSA-N -1 0 626.926 9.209 1 0 KKAFRM CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2OC)cc1 ZINC000096915295 562800955 /nfs/dbraw/zinc/80/09/55/562800955.db2.gz GCIAVWIMFZHUMS-PILPWRDFSA-N -1 0 705.833 6.976 1 0 KKAFRM CN(CCOc1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1nc2ccccc2o1 ZINC000096934784 562803981 /nfs/dbraw/zinc/80/39/81/562803981.db2.gz VRDJPGXCUMALQJ-UHFFFAOYSA-N -1 0 527.817 5.499 1 0 KKAFRM O=C([O-])CCCCC[N@H+](CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000096938317 562804472 /nfs/dbraw/zinc/80/44/72/562804472.db2.gz FAQWCVWNYYHCIR-UHFFFAOYSA-N -1 0 579.737 7.439 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100764455 562807703 /nfs/dbraw/zinc/80/77/03/562807703.db2.gz BVTSKKVADLFLSG-SSEXGKCCSA-N -1 0 619.761 6.131 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3cccc(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000100764411 562807792 /nfs/dbraw/zinc/80/77/92/562807792.db2.gz FEGPWHLGQBDXBX-DEOSSOPVSA-N -1 0 514.043 6.001 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc([N-]S(=O)(=O)c3ccccc3Cl)c1)C1CC1)CCCCCC2 ZINC000101166606 562809617 /nfs/dbraw/zinc/80/96/17/562809617.db2.gz LUTAJSYBJQSAQW-DEOSSOPVSA-N -1 0 514.043 6.001 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](COc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101208433 562809973 /nfs/dbraw/zinc/80/99/73/562809973.db2.gz VHJSCKJBRABOFP-VSOCWTRISA-N -1 0 617.608 7.017 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](Oc2ccccc2Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)CC1 ZINC000101209453 562810002 /nfs/dbraw/zinc/81/00/02/562810002.db2.gz DZYZAGBAGWPMOE-FWRMUUDVSA-N -1 0 603.581 6.770 1 0 KKAFRM Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101424889 562810677 /nfs/dbraw/zinc/81/06/77/562810677.db2.gz MDVGUJSFBBAKTR-WJOKGBTCSA-N -1 0 610.632 7.253 1 0 KKAFRM Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccsc4)sc3c(=O)n2Cc2ccco2)c([S-])cc1Cl ZINC000101539983 562811251 /nfs/dbraw/zinc/81/12/51/562811251.db2.gz WXSZEBNFEMYEPL-UHFFFAOYSA-N -1 0 550.108 5.879 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000102226847 562812973 /nfs/dbraw/zinc/81/29/73/562812973.db2.gz CMIDXRRKZXDMQP-HKBQPEDESA-N -1 0 569.723 6.942 1 0 KKAFRM COc1c(NC(=O)[C@H]2CC[C@@H](COc3cccc(F)c3F)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000103025306 562814052 /nfs/dbraw/zinc/81/40/52/562814052.db2.gz IIBHSQIWVNKJKK-SHTZXODSSA-N -1 0 544.526 5.284 1 0 KKAFRM Cc1[nH][nH]c(=O)c1C(c1c2cc(C)ccc2[nH]c1-c1ccccc1)c1c2cc(C)ccc2[nH]c1-c1ccccc1 ZINC000103157455 562814565 /nfs/dbraw/zinc/81/45/65/562814565.db2.gz BULFSIYUOXZDSP-GDLZYMKVSA-N -1 0 522.652 7.854 1 0 KKAFRM COc1ccc2[nH]c(-c3ccccc3)c([C@H](c3c(C)[nH][nH]c3=O)c3c4cc(Cl)ccc4[nH]c3-c3ccccc3)c2c1 ZINC000103163046 562814605 /nfs/dbraw/zinc/81/46/05/562814605.db2.gz JCZGNBXWBWAIFS-GRKNLSHJSA-N -1 0 559.069 7.899 1 0 KKAFRM Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2ccc(Br)cc2)nc2nc(C=CC(=O)[O-])[nH]c(=O)c21 ZINC000103172059 562814887 /nfs/dbraw/zinc/81/48/87/562814887.db2.gz VPQPTCFDBDIOLM-WUKNDPDISA-N -1 0 604.464 6.674 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103214417 562816917 /nfs/dbraw/zinc/81/69/17/562816917.db2.gz BPPARIZKVOGIKF-UHFFFAOYSA-N -1 0 559.099 6.047 1 0 KKAFRM Cn1c2cc(C(=O)NC3(c4nc5ccc(/C=C/C(=O)[O-])cc5n4C4CCC4)CCCC3)ccc2c(C2CCCC2)c1-c1cnccn1 ZINC000103241660 562819577 /nfs/dbraw/zinc/81/95/77/562819577.db2.gz RHLIEMMVXVITEX-FOWTUZBSSA-N -1 0 628.777 7.665 1 0 KKAFRM CC(C)S(=O)(=O)C[C@H](C1CCC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103246603 562819943 /nfs/dbraw/zinc/81/99/43/562819943.db2.gz BUNRHWZZKKITDA-GCMXZSHTSA-N -1 0 580.574 6.524 1 0 KKAFRM Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c([N-]S(=O)(=O)c4cc(Cl)cc(Cl)c4)c3)nn12 ZINC000103248899 562820141 /nfs/dbraw/zinc/82/01/41/562820141.db2.gz IWZJZQBREKMRMD-UHFFFAOYSA-N -1 0 569.474 5.197 1 0 KKAFRM CC1=CC[C@@H]2CCCC[C@@H]2[C@@H]1N1C(=O)[C@H]2[C@@H](C1=O)[C@]13C=C(C(C)C)[C@H]2C[C@@H]1[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000103250048 562820150 /nfs/dbraw/zinc/82/01/50/562820150.db2.gz FMMMDNUMDFBOKC-DMFQIXKESA-N -1 0 547.780 7.022 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc4c(c3)CCCC4)cs2)n1)C(=O)[O-] ZINC000103250172 562820211 /nfs/dbraw/zinc/82/02/11/562820211.db2.gz VHDYUNNUMXSWAO-HXUWFJFHSA-N -1 0 517.120 7.392 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1)C(=O)[O-] ZINC000103250196 562820220 /nfs/dbraw/zinc/82/02/20/562820220.db2.gz PFPOGVJUSRHQRU-JOCHJYFZSA-N -1 0 539.126 8.180 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1)C(=O)[O-] ZINC000103250191 562820228 /nfs/dbraw/zinc/82/02/28/562820228.db2.gz IUAKPBKWPBMZHK-INIZCTEOSA-N -1 0 531.918 7.820 1 0 KKAFRM CCCCn1c2ccccc2nc1-c1ccc2nn(CCC)c(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1 ZINC000103263785 562821800 /nfs/dbraw/zinc/82/18/00/562821800.db2.gz GNXIZFQKYVDFSR-UHFFFAOYSA-N -1 0 542.683 8.219 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000103266690 562822384 /nfs/dbraw/zinc/82/23/84/562822384.db2.gz UJWXFDIIZSLWJC-LNHRXGCFSA-N -1 0 596.849 8.292 1 0 KKAFRM O=S(=O)([N-]c1ccc(Cl)nn1)c1ccc(NCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103271867 562823045 /nfs/dbraw/zinc/82/30/45/562823045.db2.gz DHCMUIWDDNKCSB-GDLZYMKVSA-N -1 0 597.572 5.403 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCCCCCCC(=O)[O-])CC[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 ZINC000103294963 562824474 /nfs/dbraw/zinc/82/44/74/562824474.db2.gz BFUCYIMRBCJHDD-RRLKWQEHSA-N -1 0 584.882 8.727 1 0 KKAFRM CC1(c2ccc(CN(c3ncc(C(F)(F)F)cc3Cl)S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000113157229 562826255 /nfs/dbraw/zinc/82/62/55/562826255.db2.gz CJXHGYWAUTVWDA-UHFFFAOYSA-N -1 0 524.948 5.899 1 0 KKAFRM CC(C)(C)c1nn(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)c(C(C)(C)C)c1CC(=O)[O-] ZINC000113989929 562826916 /nfs/dbraw/zinc/82/69/16/562826916.db2.gz VEGXWTWTOMORFV-UHFFFAOYSA-N -1 0 500.014 6.198 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc3ccoc3c2)c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000114816938 562828502 /nfs/dbraw/zinc/82/85/02/562828502.db2.gz IBAFYLAYVWMYGH-UHFFFAOYSA-N -1 0 510.877 5.594 1 0 KKAFRM CN1CCn2c3ccc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)cc3c(Cl)c2[C@H]1CC(=O)[O-] ZINC000114895019 562828466 /nfs/dbraw/zinc/82/84/66/562828466.db2.gz CWBBZGIORLKODE-HSZRJFAPSA-N -1 0 520.979 7.011 1 0 KKAFRM O=C([O-])c1cccc([C@@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1 ZINC000115371132 562828823 /nfs/dbraw/zinc/82/88/23/562828823.db2.gz HWOXGSYLOCRIMO-LEWJYISDSA-N -1 0 554.857 8.728 1 0 KKAFRM O=C([O-])c1cccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1 ZINC000115371136 562828843 /nfs/dbraw/zinc/82/88/43/562828843.db2.gz HWOXGSYLOCRIMO-SFTDATJTSA-N -1 0 554.857 8.728 1 0 KKAFRM CCNC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)ccn2)c1 ZINC000116235834 562829342 /nfs/dbraw/zinc/82/93/42/562829342.db2.gz FSTGNMLZIPDJAW-VWLOTQADSA-N -1 0 602.623 5.060 1 0 KKAFRM CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccc(C(=O)[O-])cc2)C1=O ZINC000116619265 562829449 /nfs/dbraw/zinc/82/94/49/562829449.db2.gz DDGAECIIUUMAED-SSEXGKCCSA-N -1 0 602.606 6.041 1 0 KKAFRM CC(C)(C)OC(=O)c1c(O)c(C(F)(F)F)ccc1COc1ccc(-c2cccc(CC(=O)[O-])c2)cc1 ZINC000116840041 562829587 /nfs/dbraw/zinc/82/95/87/562829587.db2.gz UNORXFZZRFAMMK-UHFFFAOYSA-N -1 0 502.485 6.239 1 0 KKAFRM O=C([O-])CN(C1(c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000118587274 562830404 /nfs/dbraw/zinc/83/04/04/562830404.db2.gz UKYHIDBVOSCOLH-UHFFFAOYSA-N -1 0 542.387 6.026 1 0 KKAFRM COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)[O-])cc2[C@H](OC)C(C)(C)C)c(F)cn1 ZINC000118613221 562830444 /nfs/dbraw/zinc/83/04/44/562830444.db2.gz MYILAFWHXVAILX-VZPHFUHGSA-N -1 0 520.601 5.892 1 0 KKAFRM CCN(Cc1ccc(-c2nccnc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccccc1 ZINC000118907464 562830786 /nfs/dbraw/zinc/83/07/86/562830786.db2.gz SEZIHNWPKZJZAK-UHFFFAOYSA-N -1 0 512.557 5.990 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000118911222 562830790 /nfs/dbraw/zinc/83/07/90/562830790.db2.gz CUGRVWOJFYHAGN-UHFFFAOYSA-N -1 0 510.541 5.526 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(CN2CCOc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000137226075 562831400 /nfs/dbraw/zinc/83/14/00/562831400.db2.gz 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KOESFBTYPLWGFO-PRDAIKMNSA-N -1 0 682.843 5.118 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)NC(C)(C)C)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599568 562847015 /nfs/dbraw/zinc/84/70/15/562847015.db2.gz KGGMDNMLGKIVRP-UMSFTDKQSA-N -1 0 802.832 7.503 1 0 KKAFRM COc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1[N-]S(C)(=O)=O ZINC000150603049 562847348 /nfs/dbraw/zinc/84/73/48/562847348.db2.gz TWGTWIKMLGTGCM-QHCPKHFHSA-N -1 0 647.480 5.538 1 0 KKAFRM CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2-c2ccc(Cl)cc2)cc1 ZINC000150663316 562849018 /nfs/dbraw/zinc/84/90/18/562849018.db2.gz VOWQLQBNOUOWQS-UHFFFAOYSA-N -1 0 639.228 6.873 3 0 KKAFRM COC(=O)N1C[C@@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165396111 562850189 /nfs/dbraw/zinc/85/01/89/562850189.db2.gz UXRBZOFPILJKCL-IVXSNUSFSA-N -1 0 744.911 5.247 1 0 KKAFRM 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Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCC(=O)[O-])c[nH]4)c3)cc2)c1 ZINC000168871567 562851563 /nfs/dbraw/zinc/85/15/63/562851563.db2.gz RFGSSZOLBKALKW-UHFFFAOYSA-N -1 0 517.517 5.165 1 0 KKAFRM O=C([O-])Cc1c(-c2ccccc2)nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1-c1ccccc1 ZINC000168902301 562851570 /nfs/dbraw/zinc/85/15/70/562851570.db2.gz FTYPSNKQACTQOZ-UHFFFAOYSA-N -1 0 522.004 6.798 1 0 KKAFRM CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000168924879 562851582 /nfs/dbraw/zinc/85/15/82/562851582.db2.gz ZROPISXBHMLTRK-UHFFFAOYSA-N -1 0 534.951 5.324 1 0 KKAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@@H](C(=O)[O-])C5)c[nH]4)c3)cc2)c1 ZINC000169147092 562851664 /nfs/dbraw/zinc/85/16/64/562851664.db2.gz HOGCJPPMBAIRFC-GOSISDBHSA-N -1 0 543.555 5.507 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3ccc4c3cccc4-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000169307535 562853837 /nfs/dbraw/zinc/85/38/37/562853837.db2.gz IKHVAXXUCNOOEX-UHFFFAOYSA-N -1 0 536.531 6.815 1 0 KKAFRM CC[C@@H](CN(c1ccccc1F)S(=O)(=O)C(C)C)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307582 562853860 /nfs/dbraw/zinc/85/38/60/562853860.db2.gz PAIRTUDVJJOKQA-JYLYBSOGSA-N -1 0 651.584 6.640 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[N-]S(=O)(=O)C(F)(F)F)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307805 562853930 /nfs/dbraw/zinc/85/39/30/562853930.db2.gz KVURUXGLNAWILE-ZJTSJXPUSA-N -1 0 699.641 6.405 1 0 KKAFRM Cc1cc([C@@H]2C[C@H]2[C@@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000169308164 562854018 /nfs/dbraw/zinc/85/40/18/562854018.db2.gz MAQRGNLQYZPEBN-GSLIJJQTSA-N -1 0 542.550 7.146 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4nnnn4C4CCCCC4)c4cccc5ccccc54)CC3)cc21 ZINC000169308583 562854148 /nfs/dbraw/zinc/85/41/48/562854148.db2.gz YQVXKAXUHXNMIV-WJOKGBTCSA-N -1 0 609.706 5.415 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C4CCCCC4)c4ccc(OC)c5ccccc54)CC3)cc21 ZINC000169308586 562854149 /nfs/dbraw/zinc/85/41/49/562854149.db2.gz YMDRVYGPXDBWAX-YTTGMZPUSA-N -1 0 639.732 5.424 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4nnnn4C4CCCCC4)c4ccccc4)CC3)c(F)cc2c1=O ZINC000169308617 562854158 /nfs/dbraw/zinc/85/41/58/562854158.db2.gz BMXKJLDFUYOQMN-JGCGQSQUSA-N -1 0 689.714 6.309 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4nnnn4C4CCCCC4)c4ccccc4)CC3)c(F)cc2c1=O ZINC000169308618 562854159 /nfs/dbraw/zinc/85/41/59/562854159.db2.gz BMXKJLDFUYOQMN-YTTGMZPUSA-N -1 0 689.714 6.309 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4nnnn4C4CCCCC4)c4ccc(F)cc4)CC3)c(F)cc2c1=O ZINC000169308631 562854183 /nfs/dbraw/zinc/85/41/83/562854183.db2.gz CEAMQZZYRASVCT-YTTGMZPUSA-N -1 0 707.704 6.448 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(F)(F)C(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169310016 562854574 /nfs/dbraw/zinc/85/45/74/562854574.db2.gz YMBUZVVHJGRMEZ-AJRUUFPASA-N -1 0 731.686 8.064 1 0 KKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c(F)c2)cc1 ZINC000169312621 562855371 /nfs/dbraw/zinc/85/53/71/562855371.db2.gz GXWWSUNUKGBCAB-NHCUHLMSSA-N -1 0 530.474 6.719 1 0 KKAFRM CC1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000169312980 562855551 /nfs/dbraw/zinc/85/55/51/562855551.db2.gz SFOQNXCTRWOOCM-HFZWTBJMSA-N -1 0 610.590 6.542 1 0 KKAFRM COc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nnn[n-]4)cc3)C2=O)cc1 ZINC000169312976 562855566 /nfs/dbraw/zinc/85/55/66/562855566.db2.gz CLUJBHXFHKEVAR-ZLMSPKLFSA-N -1 0 613.807 6.270 1 0 KKAFRM CC(C)(C)OC(=O)COc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1CCC(=O)[O-] ZINC000169329510 562858553 /nfs/dbraw/zinc/85/85/53/562858553.db2.gz CNBSTQLXOSMLDH-UHFFFAOYSA-N -1 0 615.605 6.268 1 0 KKAFRM C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000169337477 562860047 /nfs/dbraw/zinc/86/00/47/562860047.db2.gz HGCCTGBLJZCTHL-KDURUIRLSA-N -1 0 672.685 5.352 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c4)[C@@H](C)C3)c(F)c21 ZINC000169337473 562860065 /nfs/dbraw/zinc/86/00/65/562860065.db2.gz NIDLBWNBDFTSSL-IBGZPJMESA-N -1 0 631.632 5.066 1 0 KKAFRM COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3ccoc3)c2)cc1F ZINC000169344654 562861448 /nfs/dbraw/zinc/86/14/48/562861448.db2.gz VYGZVRWOGVFSLZ-UHFFFAOYSA-N -1 0 646.741 6.252 1 0 KKAFRM Cc1c(CCC(=O)[O-])oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c12 ZINC000169349734 562862688 /nfs/dbraw/zinc/86/26/88/562862688.db2.gz KBEYTIZTXJACDD-UHFFFAOYSA-N -1 0 531.996 6.228 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(OC[C@@H]2COc3ccccc3O2)cc1-c1cccc2ccccc21)C(=O)[O-] ZINC000169352674 562863167 /nfs/dbraw/zinc/86/31/67/562863167.db2.gz OKMZMBPFWYQCOS-AMGIVPHBSA-N -1 0 543.641 5.662 1 0 KKAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)nn1-c1cccc2ccccc21 ZINC000169352861 562863253 /nfs/dbraw/zinc/86/32/53/562863253.db2.gz CROGQCMVECQNQB-NDEPHWFRSA-N -1 0 513.594 5.473 1 0 KKAFRM CCC[C@@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(OC)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169694319 562865275 /nfs/dbraw/zinc/86/52/75/562865275.db2.gz JHYTUDYDHMAWOJ-OAQYLSRUSA-N -1 0 519.520 5.333 1 0 KKAFRM CC(C)(C)C[C@@H]1N(N(C(=O)C(F)(F)F)C2CC(C)(O)C2)[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2F)[C@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000169701418 562868033 /nfs/dbraw/zinc/86/80/33/562868033.db2.gz XIZIOVPHELHJAL-VUAFTZGVSA-N -1 0 662.027 5.524 1 0 KKAFRM Cc1cc(Nc2cc(C(C)C)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704417 562868945 /nfs/dbraw/zinc/86/89/45/562868945.db2.gz KKTVBURDGTYPDU-NDEPHWFRSA-N -1 0 500.624 6.046 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[N-]S(=O)(=O)C(F)(F)F)ccc43)s2)c1 ZINC000169704406 562868968 /nfs/dbraw/zinc/86/89/68/562868968.db2.gz AMNZXNBWQGXTKX-RUZDIDTESA-N -1 0 657.618 5.823 1 0 KKAFRM COc1ncc(-c2ccc(C(=O)[O-])cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709080 562870356 /nfs/dbraw/zinc/87/03/56/562870356.db2.gz DJZGTMZEUXRCRO-OIFRRMEBSA-N -1 0 670.606 9.174 1 0 KKAFRM COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)[C@@H](O)[C@H](CC(=O)[O-])N2C(=O)OCC[Si](C)(C)C ZINC000170105012 562871481 /nfs/dbraw/zinc/87/14/81/562871481.db2.gz QESKAXARMYZYFN-GOBOWQCMSA-N -1 0 650.801 5.323 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(c1)c(C)cn2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000198620232 562872816 /nfs/dbraw/zinc/87/28/16/562872816.db2.gz VOILEHDTPYEZAQ-PMERELPUSA-N -1 0 502.614 7.244 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)cccc3C(F)(F)F)cc12 ZINC000199475843 562872947 /nfs/dbraw/zinc/87/29/47/562872947.db2.gz NTTWXQWLQNIXSH-FQEVSTJZSA-N -1 0 588.601 8.321 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCO4)cc12 ZINC000199475945 562873009 /nfs/dbraw/zinc/87/30/09/562873009.db2.gz PSSTXJCYPGOARP-QFIPXVFZSA-N -1 0 544.651 7.098 1 0 KKAFRM CC(C)C[C@@H](Nc1cnc(C(=O)NCCC(=O)[O-])nc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000200436178 562873352 /nfs/dbraw/zinc/87/33/52/562873352.db2.gz QUAMXPOGDSVRGC-JOCHJYFZSA-N -1 0 500.521 5.566 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(OC3Cc4ccccc4C3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202313756 562873624 /nfs/dbraw/zinc/87/36/24/562873624.db2.gz IZBSGCMWLHCMTH-MGBGTMOVSA-N -1 0 538.043 5.834 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1 ZINC000202321476 562873689 /nfs/dbraw/zinc/87/36/89/562873689.db2.gz UCXBGBXPBKOZEO-HHHXNRCGSA-N -1 0 542.056 7.226 1 0 KKAFRM CN(C(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202320792 562873693 /nfs/dbraw/zinc/87/36/93/562873693.db2.gz DUIKCIKEEZIOAG-NDEPHWFRSA-N -1 0 540.019 6.002 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]1 ZINC000202325187 562873745 /nfs/dbraw/zinc/87/37/45/562873745.db2.gz WFBASJZKBLZYTF-LJAQVGFWSA-N -1 0 525.004 6.493 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2cc3c(Cl)cccc3cn2)cc1 ZINC000203760710 562874099 /nfs/dbraw/zinc/87/40/99/562874099.db2.gz MRGFUAFBHWDLHR-UHFFFAOYSA-N -1 0 536.915 5.881 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000204946080 562874614 /nfs/dbraw/zinc/87/46/14/562874614.db2.gz OEOMDVPDDSABLE-UHFFFAOYSA-N -1 0 559.474 8.079 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2cccc(F)c2)cc1 ZINC000205045474 562874867 /nfs/dbraw/zinc/87/48/67/562874867.db2.gz PLUJFNVCCUEUAR-UHFFFAOYSA-N -1 0 577.464 8.218 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(Cl)c3)cc12 ZINC000205969270 562876010 /nfs/dbraw/zinc/87/60/10/562876010.db2.gz OEUROZWRADRLPK-UHFFFAOYSA-N -1 0 523.032 7.255 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)[C@H]3COc4ccccc4O3)cc12 ZINC000205964643 562876012 /nfs/dbraw/zinc/87/60/12/562876012.db2.gz GUSPKESWPXTEMH-ULKXQASOSA-N -1 0 560.650 6.630 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C)ccc3F)cc12 ZINC000205976043 562876051 /nfs/dbraw/zinc/87/60/51/562876051.db2.gz VRTGSKLZGPIRLZ-QFIPXVFZSA-N -1 0 534.631 7.610 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc12 ZINC000205984156 562876067 /nfs/dbraw/zinc/87/60/67/562876067.db2.gz GNJIOPXBNZFPPW-QFIPXVFZSA-N -1 0 508.662 7.370 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc12 ZINC000205984005 562876070 /nfs/dbraw/zinc/87/60/70/562876070.db2.gz STHCMQVWLCELIQ-QHCPKHFHSA-N -1 0 530.668 7.423 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)cc12 ZINC000205995956 562876108 /nfs/dbraw/zinc/87/61/08/562876108.db2.gz OKBNYHONEPYWKI-IOWSJCHKSA-N -1 0 514.625 6.958 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[N-]S(C)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000206004722 562876132 /nfs/dbraw/zinc/87/61/32/562876132.db2.gz ZSVUSKZAVSZXCS-VWLOTQADSA-N -1 0 621.803 7.277 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000213122080 562877168 /nfs/dbraw/zinc/87/71/68/562877168.db2.gz VGXYGECPCDQSNI-FIBWVYCGSA-N -1 0 613.135 6.236 1 0 KKAFRM CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000213420201 562877229 /nfs/dbraw/zinc/87/72/29/562877229.db2.gz VGFAMRABAXJUTN-WNJJXGMVSA-N -1 0 514.666 5.537 1 0 KKAFRM CN1CC(n2nccc2-c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)[N-]c4nccs4)ccc32)C1 ZINC000215496035 562877361 /nfs/dbraw/zinc/87/73/61/562877361.db2.gz PDLLWGDFTHJSJG-UHFFFAOYSA-N -1 0 569.634 6.133 1 0 KKAFRM C[C@@H](O)c1c2ccccc2cnc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000216502540 562877460 /nfs/dbraw/zinc/87/74/60/562877460.db2.gz HACDSJDAPXKLFZ-MRXNPFEDSA-N -1 0 546.523 5.280 1 0 KKAFRM Cc1cccc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000218060209 562877814 /nfs/dbraw/zinc/87/78/14/562877814.db2.gz WRHSUJLMFAANPV-UHFFFAOYSA-N -1 0 508.416 5.783 1 0 KKAFRM Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)c(F)c1 ZINC000218130216 562877837 /nfs/dbraw/zinc/87/78/37/562877837.db2.gz KEVINKZFHBJVDJ-UHFFFAOYSA-N -1 0 549.496 6.197 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 ZINC000218242880 562877898 /nfs/dbraw/zinc/87/78/98/562877898.db2.gz RGPXUDCWUQOZDE-DNQXCXABSA-N -1 0 539.554 6.624 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3cscn3)c2)CCCC1 ZINC000219248291 562878011 /nfs/dbraw/zinc/87/80/11/562878011.db2.gz RXNXOJMOITYIRD-UHFFFAOYSA-N -1 0 574.706 7.523 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3cn[nH]c3)cc2)CCCC1 ZINC000219333043 562878078 /nfs/dbraw/zinc/87/80/78/562878078.db2.gz YAQZZDVXKQETGM-UHFFFAOYSA-N -1 0 557.654 6.789 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cc(Cl)ccc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000219492448 562878228 /nfs/dbraw/zinc/87/82/28/562878228.db2.gz YXZDZYZMUAJIBL-IZZNHLLZSA-N -1 0 604.932 7.986 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(OC)c1 ZINC000220160767 562878383 /nfs/dbraw/zinc/87/83/83/562878383.db2.gz XIGBIOBQRBOYIG-UHFFFAOYSA-N -1 0 509.628 5.350 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)nc3)cc12 ZINC000220442490 562878493 /nfs/dbraw/zinc/87/84/93/562878493.db2.gz FHWUAKZRPWCAON-FQEVSTJZSA-N -1 0 538.047 7.211 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000220463840 562878525 /nfs/dbraw/zinc/87/85/25/562878525.db2.gz DAVNJIBUEPOVGD-UHFFFAOYSA-N -1 0 569.605 5.264 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(Br)c1 ZINC000220523035 562878530 /nfs/dbraw/zinc/87/85/30/562878530.db2.gz WFULCDNDQJRLIA-FTJBHMTQSA-N -1 0 570.487 7.333 1 0 KKAFRM Cc1cccc(Cn2c3ccc(OCc4ccc5ccccc5n4)cc3nc2[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000220523760 562878558 /nfs/dbraw/zinc/87/85/58/562878558.db2.gz DARLWWUGXRCGDN-SXOMAYOGSA-N -1 0 505.618 6.879 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(OCc3ccccc3)c2)c1 ZINC000221042638 562878740 /nfs/dbraw/zinc/87/87/40/562878740.db2.gz CPGHULPHYSDBNR-UHFFFAOYSA-N -1 0 661.452 6.010 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)N2CCc3cc(Br)ccc32)c1 ZINC000221042714 562878741 /nfs/dbraw/zinc/87/87/41/562878741.db2.gz LCDSSDGXFYFROH-UHFFFAOYSA-N -1 0 660.262 5.144 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)[C@@H]2Cc3ccccc3N2)cc(C)c1Cl ZINC000222494064 562879840 /nfs/dbraw/zinc/87/98/40/562879840.db2.gz XCGQNVFQNMUDAL-MHZLTWQESA-N -1 0 643.593 5.316 1 0 KKAFRM COc1cc(-c2ccc(F)c(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225091578 562880697 /nfs/dbraw/zinc/88/06/97/562880697.db2.gz OFTWATZYEKIRCP-UHFFFAOYSA-N -1 0 520.973 5.961 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@H]4CCCC[C@H]4C(=O)[O-])n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1 ZINC000226022554 562880845 /nfs/dbraw/zinc/88/08/45/562880845.db2.gz AWSVEDOABJDDAZ-XZOQPEGZSA-N -1 0 557.544 6.763 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-n2nccn2)cc1)C(=O)[O-] ZINC000226104937 562880961 /nfs/dbraw/zinc/88/09/61/562880961.db2.gz ZLKLUVPHHKRUAI-UHFFFAOYSA-N -1 0 532.604 5.446 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000226101473 562880963 /nfs/dbraw/zinc/88/09/63/562880963.db2.gz XIQQCBULWSALJK-IZZNHLLZSA-N -1 0 588.477 7.472 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccccc3)cc2)CCCC1 ZINC000226105921 562880977 /nfs/dbraw/zinc/88/09/77/562880977.db2.gz QGUUCHDIRWFXCA-UHFFFAOYSA-N -1 0 567.689 8.066 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)cc3)cc2)CCCC1 ZINC000226119246 562880996 /nfs/dbraw/zinc/88/09/96/562880996.db2.gz SIUCMXQKIQFOPO-UHFFFAOYSA-N -1 0 585.679 8.205 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)c(F)c3)c2)[C@@H]1C(=O)[O-] ZINC000226115440 562881004 /nfs/dbraw/zinc/88/10/04/562881004.db2.gz JNOSSQICFDDYHK-JHOUSYSJSA-N -1 0 589.642 7.981 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000226116165 562881015 /nfs/dbraw/zinc/88/10/15/562881015.db2.gz MKAZPKOLIHLNFU-UHFFFAOYSA-N -1 0 620.731 6.180 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1 ZINC000226127139 562881043 /nfs/dbraw/zinc/88/10/43/562881043.db2.gz ZNJOXPRVZKICEZ-FTJBHMTQSA-N -1 0 575.587 7.469 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)c(F)c3)cc2)[C@@H]1C(=O)[O-] ZINC000226128361 562881046 /nfs/dbraw/zinc/88/10/46/562881046.db2.gz NWYHWLCDHAFDCZ-JHOUSYSJSA-N -1 0 589.642 7.981 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](CC(=O)[O-])Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000230444129 562881078 /nfs/dbraw/zinc/88/10/78/562881078.db2.gz JGYYGEYIQBZUCC-ZOOAIUBFSA-N -1 0 576.822 7.106 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(F)cc6F)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253751868 562882878 /nfs/dbraw/zinc/88/28/78/562882878.db2.gz JKZUFUIMURWCGI-YHESDDEYSA-N -1 0 598.815 9.312 1 0 KKAFRM COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)[N-]S(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000299827609 562884191 /nfs/dbraw/zinc/88/41/91/562884191.db2.gz GRKPAJDSIJREGB-YUJQBFPQSA-N -1 0 764.971 5.286 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299829931 562885058 /nfs/dbraw/zinc/88/50/58/562885058.db2.gz TUKFOKSFXYYBDV-ABJCFRDYSA-N -1 0 693.365 10.240 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(N)=O ZINC000299830558 562885311 /nfs/dbraw/zinc/88/53/11/562885311.db2.gz IOJGHEGLZUWYOY-VFBAWPKZSA-N -1 0 770.287 5.484 1 0 KKAFRM COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000299830632 562885340 /nfs/dbraw/zinc/88/53/40/562885340.db2.gz XOICQIWFDMPDFK-VWLOTQADSA-N -1 0 532.647 5.623 1 0 KKAFRM C[C@@H]1CCCN1S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C ZINC000299834926 562886636 /nfs/dbraw/zinc/88/66/36/562886636.db2.gz SUDNWKDIBLEIHM-JGIFQQKMSA-N -1 0 623.643 6.760 1 0 KKAFRM Cc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)ccc1OCC(=O)[O-] ZINC000299835136 562886789 /nfs/dbraw/zinc/88/67/89/562886789.db2.gz LTMNRMUIWMEIIU-UHFFFAOYSA-N -1 0 512.624 5.135 1 0 KKAFRM CC(C)C[C@H](NC(=O)Cn1ccc2cc(N(Cc3ccnc4ccccc34)Cc3ccnc4ccccc34)ccc21)C(=O)[O-] ZINC000299835247 562886801 /nfs/dbraw/zinc/88/68/01/562886801.db2.gz WXAUQQCCXVEEJZ-XIFFEERXSA-N -1 0 585.708 6.560 1 0 KKAFRM CN(C1CC1)S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C ZINC000299835414 562886827 /nfs/dbraw/zinc/88/68/27/562886827.db2.gz VPLYRJCGYYQVBA-QNYAKKFESA-N -1 0 609.616 6.370 1 0 KKAFRM CC(C)c1cnn(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000299836290 562887065 /nfs/dbraw/zinc/88/70/65/562887065.db2.gz NDIBOOWJNYMLLL-MDZDMXLPSA-N -1 0 541.862 8.404 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4F)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299840925 562888696 /nfs/dbraw/zinc/88/86/96/562888696.db2.gz WUSLIKSCVUJYCE-RVDMUPIBSA-N -1 0 580.660 6.426 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4C(F)(F)F)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299841452 562888889 /nfs/dbraw/zinc/88/88/89/562888889.db2.gz ZWPDUKXEJAOOKQ-RVDMUPIBSA-N -1 0 630.667 7.306 1 0 KKAFRM CCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C(C)C(=O)N2 ZINC000299844319 562889270 /nfs/dbraw/zinc/88/92/70/562889270.db2.gz VFYNXKZVOUXHDX-JEWAHJPPSA-N -1 0 810.938 5.296 1 0 KKAFRM O=C(N[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc(-c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cc2)no1 ZINC000299846746 562889732 /nfs/dbraw/zinc/88/97/32/562889732.db2.gz PZDLPKZYHCOCLC-IYARVYRRSA-N -1 0 568.508 5.641 1 0 KKAFRM CCOC(=O)c1ccccc1NC(=O)CC[C@@H](NC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-] ZINC000299847680 562889997 /nfs/dbraw/zinc/88/99/97/562889997.db2.gz BDMOWEOVVCSLOV-UIEQHREISA-N -1 0 668.872 5.558 1 0 KKAFRM C[C@@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299849010 562890397 /nfs/dbraw/zinc/89/03/97/562890397.db2.gz ZUGUPKBOHCFYIT-MAADTABRSA-N -1 0 711.941 6.729 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299855672 562891704 /nfs/dbraw/zinc/89/17/04/562891704.db2.gz BFHFXFAJRYJXRG-SAPNQHFASA-N -1 0 607.711 6.081 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299856806 562892008 /nfs/dbraw/zinc/89/20/08/562892008.db2.gz CEFXOUDAESLMNX-QGOAFFKASA-N -1 0 653.755 7.229 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299856831 562892012 /nfs/dbraw/zinc/89/20/12/562892012.db2.gz CGIKZOSBRORQMM-JLHYYAGUSA-N -1 0 629.117 5.739 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(Cl)c3)c(-c3ccccc3)c1=O)C2 ZINC000299859359 562892686 /nfs/dbraw/zinc/89/26/86/562892686.db2.gz XDUIIFURCXXYGG-LJQANCHMSA-N -1 0 500.982 5.499 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299860603 562893002 /nfs/dbraw/zinc/89/30/02/562893002.db2.gz GUXWRGGJURBQGR-CCEZHUSRSA-N -1 0 657.171 6.519 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299862507 562893615 /nfs/dbraw/zinc/89/36/15/562893615.db2.gz JTOHMHMFNXEQMC-LFIBNONCSA-N -1 0 625.701 6.449 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299863783 562893927 /nfs/dbraw/zinc/89/39/27/562893927.db2.gz LLRZSEVEQBVCJL-VAWYXSNFSA-N -1 0 688.583 5.633 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(Cc5ccccc5)c4=S)CC3)c(F)cc2c1=O ZINC000299867164 562894796 /nfs/dbraw/zinc/89/47/96/562894796.db2.gz XNPCOMKFKNBIDU-UHFFFAOYSA-N -1 0 626.714 5.102 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299869398 562895307 /nfs/dbraw/zinc/89/53/07/562895307.db2.gz UQSDNKFAAYCQSH-KHRUNOBUSA-N -1 0 700.685 7.171 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299871617 562895759 /nfs/dbraw/zinc/89/57/59/562895759.db2.gz YWZYBDFFBNLFAW-RVDHBOFVSA-N -1 0 699.697 7.776 1 0 KKAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@@H](C(=O)[O-])C[C@@H]3O)n2C2CCCCC2)ccn1 ZINC000299871947 562895806 /nfs/dbraw/zinc/89/58/06/562895806.db2.gz ZNXYLXPOVFQCEW-FGCOXFRFSA-N -1 0 552.672 5.921 1 0 KKAFRM O=C([O-])c1ccccc1Sc1ccccc1[N+](=O)Nc1ccc(C(=O)[O-])c(Sc2ccccc2O)c1 ZINC000377853476 562896546 /nfs/dbraw/zinc/89/65/46/562896546.db2.gz LXYGAJKBTDEGEL-UHFFFAOYSA-O -1 0 519.580 6.529 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473087974 562897234 /nfs/dbraw/zinc/89/72/34/562897234.db2.gz MZAPCEDIBZJFHN-YTTGMZPUSA-N -1 0 628.691 8.905 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21 ZINC000473088431 562897311 /nfs/dbraw/zinc/89/73/11/562897311.db2.gz NXFHTHPJDOCXIS-PMERELPUSA-N -1 0 699.648 8.890 1 0 KKAFRM CC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473104905 562898164 /nfs/dbraw/zinc/89/81/64/562898164.db2.gz PSCFSKRXTKLEKL-DOBISJKBSA-N -1 0 810.564 6.550 1 0 KKAFRM COc1ccccc1C(=O)NCCNc1cccc([N-]S(=O)(=O)c2cc(-c3cccc(F)c3)ccc2OC)c1 ZINC000473115845 562899046 /nfs/dbraw/zinc/89/90/46/562899046.db2.gz URRWWESPSSINPY-UHFFFAOYSA-N -1 0 549.624 5.153 1 0 KKAFRM COc1ccc([C@@H]2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccccc3C)cc2)cc1 ZINC000473120578 562899348 /nfs/dbraw/zinc/89/93/48/562899348.db2.gz OLYQMKXTJPDCGN-SANMLTNESA-N -1 0 530.606 5.463 1 0 KKAFRM COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)[N-]c4nnc(C)s4)cc3)cc(C(=O)NCCC(C)C)c2)cn1 ZINC000473132027 562900218 /nfs/dbraw/zinc/90/02/18/562900218.db2.gz QMIQVDXYVLMLBH-UHFFFAOYSA-N -1 0 580.736 5.106 1 0 KKAFRM COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1CC(=O)c1c(OC)c(C)cc([O-])c1C(=O)c1c(OC)cccc1OC ZINC000473134820 562900561 /nfs/dbraw/zinc/90/05/61/562900561.db2.gz DAFHEWKMPBBGIW-UHFFFAOYSA-N -1 0 644.673 5.654 1 0 KKAFRM CNC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1O[C@H]1CCN(C(=O)c2cc(Br)ccc2NC(=O)OC(C)(C)C)C1 ZINC000473137603 562901177 /nfs/dbraw/zinc/90/11/77/562901177.db2.gz YAMZPGBVTSGADM-QFIPXVFZSA-N -1 0 638.515 5.814 1 0 KKAFRM CNC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1O[C@@H]1CCN(C(=O)c2cc(Br)ccc2NC(=O)OC(C)(C)C)C1 ZINC000473137602 562901187 /nfs/dbraw/zinc/90/11/87/562901187.db2.gz YAMZPGBVTSGADM-JOCHJYFZSA-N -1 0 638.515 5.814 1 0 KKAFRM CC(C)C[C@H]1N=C(c2ccccc2)c2ccc(C(=O)[O-])cc2N(Cc2ccc(C3CCCCC3)cc2)C1=O ZINC000473144432 562901260 /nfs/dbraw/zinc/90/12/60/562901260.db2.gz ATQWAHWPVCHDDH-GDLZYMKVSA-N -1 0 508.662 7.231 1 0 KKAFRM Cc1ccc2c3c(nn2c1)CC[C@@](C)(NC(=O)c1ccc(-n2cnc4cc(C(=O)[O-])ccc42)cc1Cl)C3 ZINC000473154423 562902148 /nfs/dbraw/zinc/90/21/48/562902148.db2.gz HHIOZKIZFWMNIY-MUUNZHRXSA-N -1 0 513.985 5.011 1 0 KKAFRM Cc1c2ccccc2c(-c2ccccc2)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473200945 562903830 /nfs/dbraw/zinc/90/38/30/562903830.db2.gz MFPKBVKHJNTNPM-UHFFFAOYSA-N -1 0 592.595 7.203 1 0 KKAFRM CN(C)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000473220772 562904175 /nfs/dbraw/zinc/90/41/75/562904175.db2.gz XQEDLYPFZCZRQJ-MPTHVEHBSA-N -1 0 667.101 5.059 1 0 KKAFRM CCn1c(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc2ccc(Cl)cc21 ZINC000473228824 562904355 /nfs/dbraw/zinc/90/43/55/562904355.db2.gz RDZOVWUYGCSPTA-UHFFFAOYSA-N -1 0 534.037 6.265 1 0 KKAFRM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc([C@](O)(c5ccccc5)C(F)(F)F)n4)o3)nc2s1 ZINC000653661729 562905877 /nfs/dbraw/zinc/90/58/77/562905877.db2.gz SWDKZGZHCMKCKA-RUZDIDTESA-N -1 0 588.589 6.055 1 0 KKAFRM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)C(=O)c3cc(Cl)c([O-])cc3O)cc2)cc1 ZINC000653668865 562906081 /nfs/dbraw/zinc/90/60/81/562906081.db2.gz FVYKILSKCHTGLH-UHFFFAOYSA-N -1 0 531.008 5.879 1 0 KKAFRM CCCCCOc1cc(=O)c2c([O-])c(OCCCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653691274 562906780 /nfs/dbraw/zinc/90/67/80/562906780.db2.gz WCJSOTNEVAXCRM-DITALETJSA-N -1 0 620.695 6.891 1 0 KKAFRM CCCCCOc1cc(=O)c2c([O-])c(OCCCCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653691273 562906807 /nfs/dbraw/zinc/90/68/07/562906807.db2.gz WCJSOTNEVAXCRM-BZKUTMRRSA-N -1 0 620.695 6.891 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1O ZINC000653701031 562907410 /nfs/dbraw/zinc/90/74/10/562907410.db2.gz GQPSVVAMVNMEAC-DHIFEGFHSA-N -1 0 570.550 5.038 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653706048 562907776 /nfs/dbraw/zinc/90/77/76/562907776.db2.gz WXSGYQCPUMNSNE-PDDLMNHVSA-N -1 0 564.587 5.418 1 0 KKAFRM O=C([O-])c1nn(CCc2ccc(OCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)cc1NC(=O)CSc1ccc(Br)cc1 ZINC000653714141 562908257 /nfs/dbraw/zinc/90/82/57/562908257.db2.gz AWBXZWDYPSCAJW-QYDYLWNGSA-N -1 0 773.776 5.318 1 0 KKAFRM COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc2c1 ZINC000653714717 562908450 /nfs/dbraw/zinc/90/84/50/562908450.db2.gz FYQBBUXBNJHKDJ-BLKZVQTQSA-N -1 0 587.521 5.811 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721940 562908760 /nfs/dbraw/zinc/90/87/60/562908760.db2.gz PCAPKCSFYXIDLR-DENIHFKCSA-N -1 0 500.732 5.481 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)NCc4ccncc4)o3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653725606 562909054 /nfs/dbraw/zinc/90/90/54/562909054.db2.gz XUOWHTUFGDRCCK-UHFFFAOYSA-N -1 0 763.704 7.157 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000653740447 562910129 /nfs/dbraw/zinc/91/01/29/562910129.db2.gz MKJZPLMZXLJTCF-IBGZPJMESA-N -1 0 509.461 5.942 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653754339 562910803 /nfs/dbraw/zinc/91/08/03/562910803.db2.gz SMHWDEHOXGVPME-UHFFFAOYSA-N -1 0 661.828 7.391 1 0 KKAFRM COc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653755706 562910951 /nfs/dbraw/zinc/91/09/51/562910951.db2.gz XEMADWNBIKYOSL-UHFFFAOYSA-N -1 0 502.379 5.779 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653761928 562911373 /nfs/dbraw/zinc/91/13/73/562911373.db2.gz XQKZHWQHHXQSCH-GVKUVPEFSA-N -1 0 639.675 7.399 1 0 KKAFRM Cc1cc(=O)oc2c1cc(-c1nn(-c3ccc(Cl)cc3)cc1C=O)c([O-])c2-c1nn(-c2ccc(Cl)cc2)cc1C=O ZINC000653780443 562912096 /nfs/dbraw/zinc/91/20/96/562912096.db2.gz DYCPKIAOUNEHCQ-UHFFFAOYSA-N -1 0 585.403 6.444 1 0 KKAFRM CCc1cccc(NC(=O)c2cc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)ccc2Nc2ccccc2)c1 ZINC000653782732 562912223 /nfs/dbraw/zinc/91/22/23/562912223.db2.gz JHMGQRVMULPJDW-UHFFFAOYSA-N -1 0 505.530 5.744 1 0 KKAFRM O=C([O-])[C@H](CCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000653819650 562914069 /nfs/dbraw/zinc/91/40/69/562914069.db2.gz LAWJVQIYGPZMHA-QFIPXVFZSA-N -1 0 588.526 5.219 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)NC2(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC(OCc3ccccc3)C2)c1=O ZINC000653842160 562914946 /nfs/dbraw/zinc/91/49/46/562914946.db2.gz XWDVEMHQGPMORF-UHFFFAOYSA-N -1 0 823.335 6.088 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)N[C@H](C)CC(=O)[O-])cc3)ccc2c1 ZINC000653847532 562915269 /nfs/dbraw/zinc/91/52/69/562915269.db2.gz QPASRSVTPDZTHX-UXHICEINSA-N -1 0 602.518 7.888 1 0 KKAFRM CC(C)COc1ccc(C(=O)Nc2c(C(=O)[O-])nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1 ZINC000653847681 562915301 /nfs/dbraw/zinc/91/53/01/562915301.db2.gz YFJFMRRMGIOCHI-UHFFFAOYSA-N -1 0 605.691 8.104 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(Cl)cc1 ZINC000653850824 562915518 /nfs/dbraw/zinc/91/55/18/562915518.db2.gz MVHXXSXVEAQEAG-RUZDIDTESA-N -1 0 554.861 6.917 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N4CCC[C@H](C(=O)[O-])C4)cc3)ccc2c1 ZINC000653853886 562915643 /nfs/dbraw/zinc/91/56/43/562915643.db2.gz DKSZNJPKMUGXLT-ZBLYBZFDSA-N -1 0 628.556 8.232 1 0 KKAFRM Cc1c2cc(N(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)ccc2oc1C(=O)[O-] ZINC000653861700 562916008 /nfs/dbraw/zinc/91/60/08/562916008.db2.gz CQRIIHLYYBUQDX-UHFFFAOYSA-N -1 0 579.266 6.360 1 0 KKAFRM Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(Br)c(O)c1-c1ccc(c(Br)c1O)CC2 ZINC000653876559 562916602 /nfs/dbraw/zinc/91/66/02/562916602.db2.gz CHYXCFGSHLMXAP-UHFFFAOYSA-N -1 0 582.288 7.672 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4OCc4ccccc4)ccc3O[C@H]2CO)ccc1O ZINC000653882177 562916816 /nfs/dbraw/zinc/91/68/16/562916816.db2.gz XIHVOTSIELYODN-BHBYDHKZSA-N -1 0 570.550 5.038 1 0 KKAFRM CO[C@@]1(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000653913921 562917809 /nfs/dbraw/zinc/91/78/09/562917809.db2.gz SVDIXBKDHATQRG-VYFJIZOZSA-N -1 0 598.910 8.876 1 0 KKAFRM CCCCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O2 ZINC000653913913 562917821 /nfs/dbraw/zinc/91/78/21/562917821.db2.gz ROLOWKRPKAOJLQ-LITSAYRRSA-N -1 0 564.587 5.418 1 0 KKAFRM COc1cc(/C=C\C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O ZINC000014114146 565103596 /nfs/dbraw/zinc/10/35/96/565103596.db2.gz HIFZHAYMNQEZKV-YFMQWVBVSA-N -1 0 648.881 8.185 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C[C@@H]1C2 ZINC000085489012 565124292 /nfs/dbraw/zinc/12/42/92/565124292.db2.gz RRIKQPYUZXWDJB-AYDMRSJPSA-N -1 0 654.935 9.621 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)cc6)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095910205 565176817 /nfs/dbraw/zinc/17/68/17/565176817.db2.gz APFPLZLTXJYXMM-VEJJXWKSSA-N -1 0 618.855 8.176 1 0 biogenic,in-vitro KKAFRM Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(c4ccc(C(=O)[O-])cc4)[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150343213 571458883 /nfs/dbraw/zinc/45/88/83/571458883.db2.gz CPKSEBNFFLKFEQ-HEVIKAOCSA-N -1 0 651.766 6.623 2 0 KKAFRM C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@H]12 ZINC000100776735 571822431 /nfs/dbraw/zinc/82/24/31/571822431.db2.gz WTRSURIFLHBSLZ-ZEVRWQICSA-N -1 0 574.802 8.133 1 0 endogenous,in-man KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777788 571825745 /nfs/dbraw/zinc/82/57/45/571825745.db2.gz KWLOAKAXMOYBRK-BKVASKGXSA-N -1 0 618.855 8.174 1 0 endogenous,in-man KKAFRM C[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100783856 574412489 /nfs/dbraw/zinc/41/24/89/574412489.db2.gz WSWPNGAODCKAHB-FVXZCDAHSA-N -1 0 634.854 7.147 1 0 endogenous,in-man KKAFRM CCCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C[C@](C)(Oc5ccccc5)C(=O)[O-])cc4)nc(N)n3)CC2)cc1 ZINC000042965514 581091725 /nfs/dbraw/zinc/09/17/25/581091725.db2.gz DKQQDZJONQWLFF-UMSFTDKQSA-N -1 0 595.700 5.231 1 0 KKAFRM CCC(=O)O[C@@H](O[P@@](=O)(CCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C ZINC000027077209 581093849 /nfs/dbraw/zinc/09/38/49/581093849.db2.gz PJOGDRBKVPGTCC-BGXACYRGSA-N -1 0 549.645 5.731 1 0 KKAFRM Cc1nnn(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1C(F)(F)F ZINC000095571670 541108378 /nfs/dbraw/zinc/10/83/78/541108378.db2.gz LDQIIGRTGGWHMN-GOSISDBHSA-N -1 0 550.537 6.687 1 0 KKAFRM CC[C@H](O)COc1cc([O-])cc2oc(-c3cc(Cc4cccc(O)c4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569381 291946974 /nfs/dbraw/zinc/94/69/74/291946974.db2.gz POZDORKLOHNIHY-NRFANRHFSA-N -1 0 520.578 5.221 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@]1(O)C=CC[C@]4(CC[C@]56CCC[C@@]4(CC2)[C@@]5(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]26)[C@@H]31 ZINC000085530737 291987569 /nfs/dbraw/zinc/98/75/69/291987569.db2.gz JYXBYVLNIPDPOT-ZQHITHRGSA-N -1 0 538.769 6.467 1 0 biogenic,in-vitro KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]2CCCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000253656621 551089451 /nfs/dbraw/zinc/08/94/51/551089451.db2.gz VOSMSHCJSJBJOD-DPPGTGKWSA-N -1 0 603.682 7.306 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000049841352 551089628 /nfs/dbraw/zinc/08/96/28/551089628.db2.gz SVLDQMHFIWDPJO-UHFFFAOYSA-N -1 0 629.660 7.823 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095087838 551090570 /nfs/dbraw/zinc/09/05/70/551090570.db2.gz QHYLLMYQPXZQNA-IBGZPJMESA-N -1 0 622.043 7.865 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000261149904 551090800 /nfs/dbraw/zinc/09/08/00/551090800.db2.gz OPXLYXXPUMAKGR-OLLUBJOZSA-N -1 0 641.653 8.055 1 0 KKAFRM CCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000001482917 561675793 /nfs/dbraw/zinc/67/57/93/561675793.db2.gz IZGWAAYDCQHQHV-UHFFFAOYSA-N -1 0 585.402 5.338 1 0 KKAFRM O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1 ZINC000001486218 561675952 /nfs/dbraw/zinc/67/59/52/561675952.db2.gz ZQINSCREWSCVMP-UHFFFAOYSA-N -1 0 512.587 5.186 1 0 KKAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(Cl)cc2)nc1 ZINC000001542088 561677042 /nfs/dbraw/zinc/67/70/42/561677042.db2.gz HLBYTAOMOJMGAV-UHFFFAOYSA-N -1 0 586.139 5.865 1 0 KKAFRM CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])c2Br)c1 ZINC000001549130 561677451 /nfs/dbraw/zinc/67/74/51/561677451.db2.gz YRONWOJBSAGSMV-PMERELPUSA-N -1 0 557.484 8.357 1 0 KKAFRM O=C([O-])C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000001551502 561677546 /nfs/dbraw/zinc/67/75/46/561677546.db2.gz GRRUUHVYLVKVPJ-UHFFFAOYSA-N -1 0 516.541 5.991 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccc4cc(F)ccc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000003943775 561689640 /nfs/dbraw/zinc/68/96/40/561689640.db2.gz DLGWBFQHBSMILC-UHFFFAOYSA-N -1 0 605.175 9.153 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2sccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000003834056 561683582 /nfs/dbraw/zinc/68/35/82/561683582.db2.gz HISHBJDIQCILRV-RUZDIDTESA-N -1 0 541.629 5.743 1 0 KKAFRM CC(C)(C)c1ccc(C[C@H]2CCCc3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c4ccc(F)cc4)nc32)cc1 ZINC000003915627 561684763 /nfs/dbraw/zinc/68/47/63/561684763.db2.gz YDUWEPGUGRYRGM-SVJRAGRFSA-N -1 0 520.645 5.571 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3sccc3n2)c1 ZINC000003916937 561685174 /nfs/dbraw/zinc/68/51/74/561685174.db2.gz ALCIWBPDUXMXBZ-KSGUIJNZSA-N -1 0 557.781 8.356 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@@H]1O ZINC000003919978 561685676 /nfs/dbraw/zinc/68/56/76/561685676.db2.gz OFYJBLBCZNRWLC-DLUDVSRJSA-N -1 0 616.586 5.708 1 0 KKAFRM CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(NC(=O)c4c(Cl)ccc(Cl)c4C(=O)[O-])cc3)c2c1 ZINC000003923523 561686136 /nfs/dbraw/zinc/68/61/36/561686136.db2.gz ZHWGRXBJGUEATA-UHFFFAOYSA-N -1 0 638.596 8.021 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1 ZINC000003925171 561686409 /nfs/dbraw/zinc/68/64/09/561686409.db2.gz BHBWQYGVCUHXCM-UHFFFAOYSA-N -1 0 551.986 7.136 1 0 KKAFRM C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)[O-])C(=O)C(C)(C)[C@@H]1CC3 ZINC000003929001 561687044 /nfs/dbraw/zinc/68/70/44/561687044.db2.gz FNHDSKHVYPYDAZ-HZYXEOOHSA-N -1 0 618.852 5.990 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccc(Br)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000003938197 561688866 /nfs/dbraw/zinc/68/88/66/561688866.db2.gz NVUKVULDQXPOLM-JHEAYKPVSA-N -1 0 647.487 10.198 1 0 KKAFRM O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000003954121 561690767 /nfs/dbraw/zinc/69/07/67/561690767.db2.gz ACQIOJGCZAKEOE-RSMHBEIYSA-N -1 0 552.068 6.359 1 0 KKAFRM Cc1cc(C)cc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc32)c1 ZINC000003960036 561691080 /nfs/dbraw/zinc/69/10/80/561691080.db2.gz SDXSGUVLSFVWRF-BHYZAODMSA-N -1 0 560.572 5.633 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)C1 ZINC000003965947 561691534 /nfs/dbraw/zinc/69/15/34/561691534.db2.gz UTAAVKMLQCWSFT-GOSISDBHSA-N -1 0 516.541 5.991 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1cccs1 ZINC000003966241 561691647 /nfs/dbraw/zinc/69/16/47/561691647.db2.gz SQZFPJLETMHGEG-PMWYWMMXSA-N -1 0 636.579 5.051 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C2CC2)nc1OCCCNS(=O)(=O)c1cccs1 ZINC000003980440 561692391 /nfs/dbraw/zinc/69/23/91/561692391.db2.gz BCRJIIJVFJJYRD-UHFFFAOYSA-N -1 0 672.851 6.062 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000003994949 561693749 /nfs/dbraw/zinc/69/37/49/561693749.db2.gz WIBDJDYXWICGSX-SFTDATJTSA-N -1 0 539.991 5.551 1 0 KKAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000004790664 561695314 /nfs/dbraw/zinc/69/53/14/561695314.db2.gz GKJDKQMSFOKPDW-TZNXMATRSA-N -1 0 541.648 5.262 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC2CC2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000005494047 561696064 /nfs/dbraw/zinc/69/60/64/561696064.db2.gz BZXPRPQYBKHJGU-PMERELPUSA-N -1 0 576.715 5.558 1 0 KKAFRM O=C1CS[C@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009737 561701689 /nfs/dbraw/zinc/70/16/89/561701689.db2.gz ABMBJDYFYWLVDW-NFPSEPLVSA-N -1 0 554.700 5.318 1 0 KKAFRM CC(C)=CCC[C@]1(C(=O)[O-])C[C@]12[C@@H]1C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]3(C)[C@@]1(C)C[C@@H]2OC(C)=O ZINC000009574214 561709117 /nfs/dbraw/zinc/70/91/17/561709117.db2.gz JLYJGBJQXWQKEA-IDPUAXFKSA-N -1 0 530.746 5.746 1 0 KKAFRM COc1ccc(C[C@H](SCc2ccccc2)C(=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012358304 561710364 /nfs/dbraw/zinc/71/03/64/561710364.db2.gz GXVCRJLVDFQCOU-QHCPKHFHSA-N -1 0 503.542 5.573 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1CCC ZINC000012358273 561710377 /nfs/dbraw/zinc/71/03/77/561710377.db2.gz HWZLQPWBZNJEHC-NDEPHWFRSA-N -1 0 519.663 7.256 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358485 561710395 /nfs/dbraw/zinc/71/03/95/561710395.db2.gz WHRFBVLXQHYSAS-MUUNZHRXSA-N -1 0 519.663 7.427 1 0 KKAFRM CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358286 561710411 /nfs/dbraw/zinc/71/04/11/561710411.db2.gz MDUUPNIBHJWYFO-AREMUKBSSA-N -1 0 555.674 5.707 1 0 KKAFRM CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc2c(c1)O[C@](CC)(C(=O)[O-])CC2 ZINC000012358559 561710535 /nfs/dbraw/zinc/71/05/35/561710535.db2.gz DMHJQMGELZSRPT-HKBQPEDESA-N -1 0 568.688 6.241 1 0 KKAFRM CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2c(c1)O[C@](CC)(C(=O)[O-])CC2 ZINC000012358555 561710542 /nfs/dbraw/zinc/71/05/42/561710542.db2.gz BGISIBTWPYOJAU-PMERELPUSA-N -1 0 508.586 6.977 1 0 KKAFRM CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CC)(C(=O)[O-])CC2 ZINC000012358560 561710591 /nfs/dbraw/zinc/71/05/91/561710591.db2.gz DMHJQMGELZSRPT-WJOKGBTCSA-N -1 0 568.688 6.241 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125818 561711436 /nfs/dbraw/zinc/71/14/36/561711436.db2.gz DTQRNJPXJUUUTE-QHCPKHFHSA-N -1 0 505.398 5.722 3 0 KKAFRM CCCSc1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncn1 ZINC000013442597 561712856 /nfs/dbraw/zinc/71/28/56/561712856.db2.gz DBBMLXCLCQOBTI-KRWDZBQOSA-N -1 0 506.415 5.041 1 0 KKAFRM CC(C)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761649 561727887 /nfs/dbraw/zinc/72/78/87/561727887.db2.gz TUHVTOYYHANQMW-HHHXNRCGSA-N -1 0 521.679 6.471 1 0 KKAFRM CCc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761646 561727893 /nfs/dbraw/zinc/72/78/93/561727893.db2.gz NOYADQYONLFGMN-SANMLTNESA-N -1 0 507.652 5.910 1 0 KKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C(=O)[O-])c1ccc(CCc2ccccn2)cc1 ZINC000013539335 561718216 /nfs/dbraw/zinc/71/82/16/561718216.db2.gz FPGBQKOCQJXRCD-VWLOTQADSA-N -1 0 526.555 7.137 1 0 KKAFRM CC/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558153 561719197 /nfs/dbraw/zinc/71/91/97/561719197.db2.gz FGSUZDCMIOSNNQ-LFIBNONCSA-N -1 0 501.461 5.184 1 0 KKAFRM CCCN(CCC)c1nc2ccccc2c(-c2ccc(Cn3c(CC)nc4c3nc(C)cc4C)cc2)c1C(=O)[O-] ZINC000013560853 561719838 /nfs/dbraw/zinc/71/98/38/561719838.db2.gz UHLUJKTZAHNPOH-UHFFFAOYSA-N -1 0 535.692 7.199 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCCCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677968 561724301 /nfs/dbraw/zinc/72/43/01/561724301.db2.gz FAQAPRJCKRYZMI-UHFFFAOYSA-N -1 0 504.505 6.467 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678406 561724374 /nfs/dbraw/zinc/72/43/74/561724374.db2.gz NJXMEJHJYJGTPI-UHFFFAOYSA-N -1 0 509.627 6.302 1 0 KKAFRM CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2cc(C(=O)c3ccccc3)ccc21 ZINC000013681519 561724595 /nfs/dbraw/zinc/72/45/95/561724595.db2.gz DEKKPOFNXDYMKA-UHFFFAOYSA-N -1 0 521.613 6.911 1 0 KKAFRM CCCCc1nc2cccc(NC(=O)NC3CCCCC3)c2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732043 561725326 /nfs/dbraw/zinc/72/53/26/561725326.db2.gz BLKXPTJWHWQXCM-UHFFFAOYSA-N -1 0 524.665 7.247 1 0 KKAFRM CC(C)N(CCc1ccc(/C(=C\CCCC(=O)[O-])c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013733208 561725436 /nfs/dbraw/zinc/72/54/36/561725436.db2.gz WSGAKKPWXZPETA-OAHLVZFQSA-N -1 0 527.086 6.063 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2cccc3c(NCCC(c4ccccc4)c4ccccc4)cccc32)c1C ZINC000013741064 561726015 /nfs/dbraw/zinc/72/60/15/561726015.db2.gz QCWQLSWCEVFUPX-UHFFFAOYSA-N -1 0 511.647 6.880 1 0 KKAFRM CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013743376 561726457 /nfs/dbraw/zinc/72/64/57/561726457.db2.gz XEKDNMWGRDRXRS-KOEQRZSOSA-N -1 0 524.629 5.654 1 0 KKAFRM C=C(NC(=O)c1ccc(/C(=C\CCCCC(=O)[O-])c2cccnc2)cc1)C(=O)NCCCCC1CCCCC1 ZINC000013782527 561729699 /nfs/dbraw/zinc/72/96/99/561729699.db2.gz AQQCPDIIPNDMEK-WKULSOCRSA-N -1 0 531.697 6.269 1 0 KKAFRM CCCCCc1cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)cc1COc1cccnc1 ZINC000013800695 561730526 /nfs/dbraw/zinc/73/05/26/561730526.db2.gz VGKAHQNVPISBEI-NDEPHWFRSA-N -1 0 520.695 6.305 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(CC(C)C)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000013800691 561730528 /nfs/dbraw/zinc/73/05/28/561730528.db2.gz SFVNRLLJGJSIKK-MHZLTWQESA-N -1 0 506.668 5.771 1 0 KKAFRM Cc1cc(Cl)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(c2ccc(F)c(C)c2)c2ccc(F)c(C)c2)c1 ZINC000013824690 561732770 /nfs/dbraw/zinc/73/27/70/561732770.db2.gz KIFDBWNUTUGZID-RTWAWAEBSA-N -1 0 518.984 5.689 1 0 KKAFRM Nc1cccc([S@@](=O)Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000013833525 561733879 /nfs/dbraw/zinc/73/38/79/561733879.db2.gz MIQSQBSTRUREAG-JDRBLKAOSA-N -1 0 506.668 6.032 1 0 KKAFRM O=C([O-])COc1cccc(-c2oc(-c3ccccc3)nc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000013834185 561734076 /nfs/dbraw/zinc/73/40/76/561734076.db2.gz ZJXKPOJOZYQRPT-UHFFFAOYSA-N -1 0 514.537 7.461 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000014262720 561738731 /nfs/dbraw/zinc/73/87/31/561738731.db2.gz GDFHMHIFQWULDA-XTQSDGFTSA-N -1 0 580.631 7.843 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccc(-c2cc3ccccc3o2)s1)C(=O)c1ccc(Cl)cc1Cl ZINC000014880309 561740019 /nfs/dbraw/zinc/74/00/19/561740019.db2.gz YBULOUKTPCHXAL-DEOSSOPVSA-N -1 0 550.463 7.806 1 0 in-vivo KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CN(Cc2ccccc2)c2ccccc2)C(=O)[O-])cc1 ZINC000014946716 561744129 /nfs/dbraw/zinc/74/41/29/561744129.db2.gz WNMJCUSDEYDSNU-PMERELPUSA-N -1 0 579.763 5.088 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946777 561744321 /nfs/dbraw/zinc/74/43/21/561744321.db2.gz WJYBOZSSCRRGTK-HKBQPEDESA-N -1 0 592.758 6.194 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccc(Cl)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952857 561746473 /nfs/dbraw/zinc/74/64/73/561746473.db2.gz CXAHPKZMCKBDTC-UNMCSNQZSA-N -1 0 538.054 5.113 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4cc(Cl)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955215 561747285 /nfs/dbraw/zinc/74/72/85/561747285.db2.gz VZQJVBJXVZHFSN-RBBKRZOGSA-N -1 0 538.054 5.953 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4cc(F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955198 561747311 /nfs/dbraw/zinc/74/73/11/561747311.db2.gz RXIGWQFBIHOUIE-RBBKRZOGSA-N -1 0 521.599 5.439 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955278 561747391 /nfs/dbraw/zinc/74/73/91/561747391.db2.gz YAYDJMKEWVNQFY-RBBKRZOGSA-N -1 0 538.054 5.953 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4cc(Br)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955259 561747394 /nfs/dbraw/zinc/74/73/94/561747394.db2.gz GDVCJUYCAGOQOZ-RBBKRZOGSA-N -1 0 582.505 6.062 1 0 KKAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Cl)c4Cl)c3O)nc2c1 ZINC000014956973 561747769 /nfs/dbraw/zinc/74/77/69/561747769.db2.gz ZRDAQBSVCRLNEI-GFCCVEGCSA-N -1 0 547.782 5.490 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1cccc(C)c1C ZINC000014963286 561748971 /nfs/dbraw/zinc/74/89/71/561748971.db2.gz KOFUXMOAHAJCQT-UHFFFAOYSA-N -1 0 525.605 5.850 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)c(Cl)c1 ZINC000014963331 561749084 /nfs/dbraw/zinc/74/90/84/561749084.db2.gz ZSKXPSIETQZQJF-HXUWFJFHSA-N -1 0 530.024 6.748 1 0 KKAFRM COc1cccc(OC)c1C(=O)N[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)[O-] ZINC000014963552 561749173 /nfs/dbraw/zinc/74/91/73/561749173.db2.gz XMMJSMJCFDADHY-OAQYLSRUSA-N -1 0 525.388 5.652 1 0 KKAFRM CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)N(Cc2cncs2)Cc2ccccc2)CC1)C(=O)[O-] ZINC000014963992 561749289 /nfs/dbraw/zinc/74/92/89/561749289.db2.gz SFSVYOSUWJRGTM-MHZLTWQESA-N -1 0 578.760 5.056 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cc2Br)ccc1O ZINC000014969093 561750489 /nfs/dbraw/zinc/75/04/89/561750489.db2.gz QDOUMGDWMBUGEC-FQEVSTJZSA-N -1 0 543.252 5.601 1 0 KKAFRM Cc1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cc2Br)cc(C(C)C)c1O ZINC000014969123 561750527 /nfs/dbraw/zinc/75/05/27/561750527.db2.gz QIPJDYIHXFNJAE-FQEVSTJZSA-N -1 0 557.279 5.909 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCc3ccccc3)c2)c(Br)c1 ZINC000014969318 561750579 /nfs/dbraw/zinc/75/05/79/561750579.db2.gz UMGUSXFHBSNVGH-UHFFFAOYSA-N -1 0 549.215 5.309 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(C(F)(F)F)c3)c2)c(Br)c1 ZINC000014969288 561750582 /nfs/dbraw/zinc/75/05/82/561750582.db2.gz FTJYULJJGUFKCD-UHFFFAOYSA-N -1 0 562.132 7.148 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(-c4ccccc4)c3)c2)c(Br)c1 ZINC000014969295 561750600 /nfs/dbraw/zinc/75/06/00/561750600.db2.gz HZKLLZGFRIQXJL-UHFFFAOYSA-N -1 0 570.233 7.796 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972576 561751607 /nfs/dbraw/zinc/75/16/07/561751607.db2.gz SQHRBEDYCPJCNA-FQEVSTJZSA-N -1 0 554.568 7.952 1 0 KKAFRM O=C([O-])Cc1cccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000014972557 561751629 /nfs/dbraw/zinc/75/16/29/561751629.db2.gz TUYZXSLKXBNYSH-UHFFFAOYSA-N -1 0 540.541 7.391 1 0 KKAFRM COc1ccc(-c2nc3cc(C(=O)[O-])ccc3n2CCCn2c3ccc(C(F)(F)F)cc3nc2-c2ccc(O)c(OC)c2)cc1 ZINC000017546083 561756241 /nfs/dbraw/zinc/75/62/41/561756241.db2.gz KELNEZRJRIUKJE-UHFFFAOYSA-N -1 0 616.596 7.250 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025989702 561764582 /nfs/dbraw/zinc/76/45/82/561764582.db2.gz DKCIEOMWEADZSJ-MVERNJQCSA-N -1 0 547.111 6.253 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3c(cccc3-c3cccc4ccccc43)c2O)cc1 ZINC000026006205 561765645 /nfs/dbraw/zinc/76/56/45/561765645.db2.gz SUHPITKDJDPSSO-UHFFFAOYSA-N -1 0 564.638 7.523 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)N[C@@H](C)C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026170071 561769797 /nfs/dbraw/zinc/76/97/97/561769797.db2.gz UJQHXCBEBOHEHK-AWEZNQCLSA-N -1 0 626.899 5.486 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[N@H+](CC[P@](=O)([O-])C(C)(C)P(=O)([O-])O)Cc1ccccc1 ZINC000026171063 561769928 /nfs/dbraw/zinc/76/99/28/561769928.db2.gz JSOKBWBUFQHMAK-DFYPRORVSA-N -1 0 525.607 7.092 1 0 KKAFRM COc1ccc(-c2cccc(NC(=O)NCc3ccccc3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026180663 561771640 /nfs/dbraw/zinc/77/16/40/561771640.db2.gz AKIUZSSNMQSYLP-SANMLTNESA-N -1 0 559.644 5.178 1 0 KKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C([O-])=CS(=O)(=O)c4ccccc4)cc3OC)c2c1 ZINC000026498198 561794728 /nfs/dbraw/zinc/79/47/28/561794728.db2.gz PPDUYKCJHDDFSG-QHCPKHFHSA-N -1 0 560.716 6.510 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCCC1)C(=O)[O-] ZINC000026392017 561786073 /nfs/dbraw/zinc/78/60/73/561786073.db2.gz ZYABEFSJBSSQOX-LGTGVMGWSA-N -1 0 616.203 5.140 1 0 KKAFRM CCCSC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393635 561786259 /nfs/dbraw/zinc/78/62/59/561786259.db2.gz AEOGPKLNXHHMSN-JHYAUNHOSA-N -1 0 680.710 5.058 1 0 KKAFRM CCCSC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393642 561786282 /nfs/dbraw/zinc/78/62/82/561786282.db2.gz AEOGPKLNXHHMSN-ZIWTYUHTSA-N -1 0 680.710 5.058 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2oc(-c3c(Cl)cccc3Cl)nc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000026395407 561786786 /nfs/dbraw/zinc/78/67/86/561786786.db2.gz XYRKHQUYEVMHKJ-KRWDZBQOSA-N -1 0 524.187 6.534 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2C(F)(F)F)cc1)C(C)(C)C ZINC000026397910 561787574 /nfs/dbraw/zinc/78/75/74/561787574.db2.gz PAICNGFUXUHAMP-LMSSTIIKSA-N -1 0 616.661 6.593 1 0 KKAFRM COc1ccc(F)c(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026475967 561791029 /nfs/dbraw/zinc/79/10/29/561791029.db2.gz UBVDGOCIKFYTND-BTYSJIOQSA-N -1 0 639.529 5.692 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccc4c(n3)CCCC4)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026485953 561792423 /nfs/dbraw/zinc/79/24/23/561792423.db2.gz RAYDEKHADWSEHO-UHFFFAOYSA-N -1 0 591.217 8.740 1 0 KKAFRM COc1cccc(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026487707 561792786 /nfs/dbraw/zinc/79/27/86/561792786.db2.gz SKKKCTWVWZGXAV-BTYSJIOQSA-N -1 0 621.539 5.553 1 0 KKAFRM COc1c(F)cc(F)c(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026491951 561793530 /nfs/dbraw/zinc/79/35/30/561793530.db2.gz NVNZSROKMNAVCA-BTYSJIOQSA-N -1 0 657.519 5.831 1 0 KKAFRM CCCCOC(=O)Nc1ccc2c(Br)c(Br)n(Cc3ccc(C(=O)[O-])cc3OC)c2c1 ZINC000026495326 561794187 /nfs/dbraw/zinc/79/41/87/561794187.db2.gz LYELDJLSVWUPIY-UHFFFAOYSA-N -1 0 554.235 6.270 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccccc1C(F)(F)F ZINC000026496286 561794347 /nfs/dbraw/zinc/79/43/47/561794347.db2.gz HKRJTNMSPOMOAN-IBGZPJMESA-N -1 0 525.310 5.690 1 0 KKAFRM O=C([O-])/C(=C\c1ccc(OCCc2ccc(C(F)(F)F)cc2)cc1)CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000026496520 561794448 /nfs/dbraw/zinc/79/44/48/561794448.db2.gz VLSGIIXGBZEWML-MICPPTNFSA-N -1 0 501.545 5.834 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4CS(=O)(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)sc2c1 ZINC000026569687 561797755 /nfs/dbraw/zinc/79/77/55/561797755.db2.gz LNASFBLNMFIVTI-UHFFFAOYSA-N -1 0 714.501 9.392 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000026574691 561798943 /nfs/dbraw/zinc/79/89/43/561798943.db2.gz PCLSKDHCABSMIT-PMERELPUSA-N -1 0 678.207 8.470 1 0 KKAFRM CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026663601 561810745 /nfs/dbraw/zinc/81/07/45/561810745.db2.gz ZMIPXYJMLBJAOL-UHFFFAOYSA-N -1 0 547.446 6.658 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(-c4ccccc4)cn2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026665889 561811147 /nfs/dbraw/zinc/81/11/47/561811147.db2.gz UKRIITYTIWNBRT-AREMUKBSSA-N -1 0 639.821 9.083 1 0 KKAFRM CCCCc1ccc(COc2ccc3c4c(c(CC(C)(C)C(=O)[O-])n3Cc3ccc(Cl)cc3)S[C@@H](C)Cc42)nc1 ZINC000026666500 561811306 /nfs/dbraw/zinc/81/13/06/561811306.db2.gz DNMJJTUXOLEAAH-NRFANRHFSA-N -1 0 577.190 8.350 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2cc4ccccc4cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026666968 561811413 /nfs/dbraw/zinc/81/14/13/561811413.db2.gz DQPPQABLZMJYBU-HXUWFJFHSA-N -1 0 571.142 8.160 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2cc(-c4ccccc4)ccn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667904 561811528 /nfs/dbraw/zinc/81/15/28/561811528.db2.gz WMHGNMSKGZZNQX-QFIPXVFZSA-N -1 0 597.180 8.674 1 0 KKAFRM Cc1ccccc1O[C@H](C(=O)[O-])[C@@]1(c2ccccc2)NCC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000026670721 561812290 /nfs/dbraw/zinc/81/22/90/561812290.db2.gz WBESQFWQKSSZML-VEEOACQBSA-N -1 0 561.465 6.214 1 0 KKAFRM COc1ccc(CN2c3ccccc3[C@@](c3cccc(C(F)(F)F)c3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000026672964 561812994 /nfs/dbraw/zinc/81/29/94/561812994.db2.gz FQXLGGFHDJJJJO-MVSFAKPFSA-N -1 0 606.601 5.033 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCC(=O)[O-])c3S1 ZINC000026674713 561813586 /nfs/dbraw/zinc/81/35/86/561813586.db2.gz XGUISSUADLAFHZ-OAQYLSRUSA-N -1 0 569.126 8.038 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SC(C)(C)CC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000026723610 561815575 /nfs/dbraw/zinc/81/55/75/561815575.db2.gz IAWANKIQXITHRV-ODMPMCBYSA-N -1 0 574.186 8.946 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](c2ccccc2)c2ccncc2)c1 ZINC000026726585 561816052 /nfs/dbraw/zinc/81/60/52/561816052.db2.gz ADTCOWNUGMDJTK-VWJNDSICSA-N -1 0 545.639 6.960 1 0 KKAFRM CC[C@@H](CC(=O)[O-])S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000026729823 561816636 /nfs/dbraw/zinc/81/66/36/561816636.db2.gz SHPNVYORMASEAZ-CHOIUDERSA-N -1 0 574.186 8.946 1 0 KKAFRM CC[C@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000026734325 561817193 /nfs/dbraw/zinc/81/71/93/561817193.db2.gz JWKVEANOOVQCBU-NIKQFTQASA-N -1 0 574.186 8.804 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Br)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000026746461 561818902 /nfs/dbraw/zinc/81/89/02/561818902.db2.gz TZFMRKSUIBOKIY-MDZDMXLPSA-N -1 0 587.297 8.982 1 0 KKAFRM CCc1onc(-c2ccccc2OC(F)(F)F)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000026748330 561819257 /nfs/dbraw/zinc/81/92/57/561819257.db2.gz IHBKBMMZMOKQEI-ZHACJKMWSA-N -1 0 543.925 7.904 1 0 KKAFRM CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@@H](C(C)(C)C(=O)[O-])CC[C@@](C)([C@@H]34)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835545 561824204 /nfs/dbraw/zinc/82/42/04/561824204.db2.gz GRDNOWYVDAPYNQ-JECOZGPXSA-N -1 0 544.729 6.087 1 0 KKAFRM CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Cl)c2c1 ZINC000026836983 561824688 /nfs/dbraw/zinc/82/46/88/561824688.db2.gz OCUJXBZKOJTVKN-UHFFFAOYSA-N -1 0 566.989 5.798 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4cccc(NC(C)=O)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026973270 561830590 /nfs/dbraw/zinc/83/05/90/561830590.db2.gz PRHNBXYBLBZASR-UHFFFAOYSA-N -1 0 547.523 5.628 1 0 KKAFRM CCCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026974586 561830860 /nfs/dbraw/zinc/83/08/60/561830860.db2.gz DZMPZPAKKJGDTA-UHFFFAOYSA-N -1 0 531.568 6.873 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3cccc(OC)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026984979 561831696 /nfs/dbraw/zinc/83/16/96/561831696.db2.gz DGJQLSJCNGPQKI-CMBFVXBTSA-N -1 0 551.705 6.467 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000026990080 561832393 /nfs/dbraw/zinc/83/23/93/561832393.db2.gz HRVRTAVXFLHGOE-UHFFFAOYSA-N -1 0 601.537 6.738 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3cccc(N(C)C)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026994238 561832918 /nfs/dbraw/zinc/83/29/18/561832918.db2.gz SKIWSDMQBJOXJH-LZLQLYJASA-N -1 0 564.748 6.524 1 0 KKAFRM COc1ccc(Oc2cccc(F)c2CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c(C(=O)[O-])c1 ZINC000026995493 561833290 /nfs/dbraw/zinc/83/32/90/561833290.db2.gz QCBLTCFSOCTHJG-XJUCSQNASA-N -1 0 592.708 7.031 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2cnc3ccccc3n2)c1 ZINC000027073495 561833816 /nfs/dbraw/zinc/83/38/16/561833816.db2.gz CCIPROAWVACJRF-UHFFFAOYSA-N -1 0 601.685 5.777 1 0 KKAFRM CC(CCC(=O)[O-])(c1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1 ZINC000027074389 561833992 /nfs/dbraw/zinc/83/39/92/561833992.db2.gz AXSRTODQOYUHJW-UHFFFAOYSA-N -1 0 580.731 8.235 1 0 KKAFRM O=C([O-])CC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000027074538 561834013 /nfs/dbraw/zinc/83/40/13/561834013.db2.gz XYMRCSTXOMYPLI-UHFFFAOYSA-N -1 0 540.619 7.548 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCCOc2ncc(C)cn2)c1 ZINC000027077987 561834463 /nfs/dbraw/zinc/83/44/63/561834463.db2.gz AOCAQMJSEXBTFU-UHFFFAOYSA-N -1 0 579.679 5.322 1 0 KKAFRM O=c1[n-]c(=O)n([C@@H](CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1 ZINC000027098283 561838188 /nfs/dbraw/zinc/83/81/88/561838188.db2.gz RMUYPFGDFNLDQB-QFIPXVFZSA-N -1 0 538.444 6.381 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncc(F)c2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027193650 561843954 /nfs/dbraw/zinc/84/39/54/561843954.db2.gz WDSKPWZWENCSDX-PMERELPUSA-N -1 0 557.691 6.339 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(CC2CCCCC2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199791 561844888 /nfs/dbraw/zinc/84/48/88/561844888.db2.gz GRKXZEYMVZRROT-PMERELPUSA-N -1 0 546.733 6.695 1 0 KKAFRM CCCCc1ncc(/C=C2\C(=O)N(CCCC)C(=O)N2Cc2csc(C)n2)n1Cc1ccc(C(=O)[O-])cc1Cl ZINC000027212304 561847467 /nfs/dbraw/zinc/84/74/67/561847467.db2.gz WGXLBFAAMZWYQC-CFRMEGHHSA-N -1 0 570.115 5.996 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000027305898 561849610 /nfs/dbraw/zinc/84/96/10/561849610.db2.gz LHVGZIIAYJDNGW-QXDWWQFWSA-N -1 0 585.701 5.153 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429518 561859082 /nfs/dbraw/zinc/85/90/82/561859082.db2.gz JAKCRXOLNCFAGC-PJXYRSHTSA-N -1 0 707.871 6.907 1 0 KKAFRM O=C([O-])CCCCC[C@@H](CNS(=O)(=O)c1ccc(-c2cccc3ccccc32)cc1)c1cccnc1 ZINC000027438292 561860483 /nfs/dbraw/zinc/86/04/83/561860483.db2.gz HCYOYYHPEAJSJI-VWLOTQADSA-N -1 0 502.636 5.999 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)s2)c2ccccc21 ZINC000027517482 561861207 /nfs/dbraw/zinc/86/12/07/561861207.db2.gz HHGADXLCALZDPD-QFIPXVFZSA-N -1 0 536.613 5.175 1 0 KKAFRM CCCc1c(Cc2ccccc2C(=O)[O-])cccc1OCCCOc1cc(O)c(-c2ccc(F)cc2)cc1CC ZINC000027517719 561861425 /nfs/dbraw/zinc/86/14/25/561861425.db2.gz RNMNAOKPFGPBSK-UHFFFAOYSA-N -1 0 542.647 7.850 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CCCCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027518826 561862636 /nfs/dbraw/zinc/86/26/36/561862636.db2.gz DOFTXONOMHAFMC-SSEXGKCCSA-N -1 0 547.655 6.598 1 0 KKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(NS(C)(=O)=O)cc12 ZINC000027519162 561862918 /nfs/dbraw/zinc/86/29/18/561862918.db2.gz VDHPJZXFFFZONE-UHFFFAOYSA-N -1 0 540.641 5.948 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)CCc3ccccc3)cc2)c2ccccc21 ZINC000027519315 561863051 /nfs/dbraw/zinc/86/30/51/561863051.db2.gz BFVQOFGCQSYDNC-LJAQVGFWSA-N -1 0 561.638 5.141 1 0 KKAFRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000027523482 561865093 /nfs/dbraw/zinc/86/50/93/561865093.db2.gz QZWRZJBKAUEGBI-IEGUWTFLSA-N -1 0 516.440 7.131 1 0 KKAFRM CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCCCc1ccccc1 ZINC000027550835 561867929 /nfs/dbraw/zinc/86/79/29/561867929.db2.gz RVYNNDMCHVSLAJ-LDAZMUTJSA-N -1 0 608.801 6.529 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COCc2ccccc2C(=O)[O-])c3S1 ZINC000027522963 561864637 /nfs/dbraw/zinc/86/46/37/561864637.db2.gz WHFIKBYBAPCEGY-RUZDIDTESA-N -1 0 661.223 9.436 1 0 KKAFRM O=C([O-])CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O[C@H]1CCc2ccccc21)O[C@H]1CCc2ccccc21 ZINC000027556404 561869574 /nfs/dbraw/zinc/86/95/74/561869574.db2.gz MBDRMJLGUMNUDT-IMKBVMFZSA-N -1 0 638.701 7.004 1 0 KKAFRM Cc1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2ccc(C)c(C)c2)cc1C ZINC000027556388 561869666 /nfs/dbraw/zinc/86/96/66/561869666.db2.gz LHRGIYFYSKYGHY-XIFFEERXSA-N -1 0 614.679 6.987 1 0 KKAFRM CC(C)c1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2ccc(C(C)C)cc2)cc1 ZINC000027556785 561869693 /nfs/dbraw/zinc/86/96/93/561869693.db2.gz CKPKKOBFRNMDIP-DHUJRADRSA-N -1 0 642.733 8.001 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3c3ccccc3)co2)cc1)c1cccnc1 ZINC000027563938 561871629 /nfs/dbraw/zinc/87/16/29/561871629.db2.gz SAKWDHBZKHMQPN-AZDWBHJSSA-N -1 0 507.590 6.099 1 0 KKAFRM CCCCc1nnc(SCc2cccc(OC)c2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027705635 561878748 /nfs/dbraw/zinc/87/87/48/561878748.db2.gz FNWLOPXKWAGUGP-UHFFFAOYSA-N -1 0 530.650 5.920 1 0 KKAFRM O=C(Cc1cn(CCCn2cccc2)c2ccccc12)NCCCCCCCCCCCO[P@](=O)([O-])c1ccccc1Cl ZINC000027654774 561877305 /nfs/dbraw/zinc/87/73/05/561877305.db2.gz IXPYZYYBMRMWCK-UHFFFAOYSA-N -1 0 626.178 7.884 1 0 KKAFRM COc1ccc(-c2c3oc4ccccc4c3n(Cc3cc(OC)c(OC)cc3OC)c(=O)c2C(=O)[O-])cc1 ZINC000027707435 561878949 /nfs/dbraw/zinc/87/89/49/561878949.db2.gz DLVQEMRYIKUKBL-UHFFFAOYSA-N -1 0 515.518 5.196 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027716373 561880272 /nfs/dbraw/zinc/88/02/72/561880272.db2.gz DPVLKPTYCDXXGC-UHFFFAOYSA-N -1 0 535.069 6.565 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)CCc1ccccc1 ZINC000027728853 561881135 /nfs/dbraw/zinc/88/11/35/561881135.db2.gz LDLJGMOOCVGMPN-QFIPXVFZSA-N -1 0 685.271 5.585 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N/C(=C\c1ccccc1)C(=O)[O-] ZINC000027735415 561881764 /nfs/dbraw/zinc/88/17/64/561881764.db2.gz DEEKFKGSYMOZGO-KFMRBMPRSA-N -1 0 541.648 5.262 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@H](O)C2CCCCC2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027759181 561883780 /nfs/dbraw/zinc/88/37/80/561883780.db2.gz JGIGBEKDNKBDDC-HEMJYUEISA-N -1 0 558.744 6.777 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000027763777 561884354 /nfs/dbraw/zinc/88/43/54/561884354.db2.gz CEKDCNUHZKZGEF-BJKOFHAPSA-N -1 0 621.534 5.280 1 0 KKAFRM CC(C)c1cc(Oc2c(I)cc(NCC(=O)[O-])cc2I)ccc1O ZINC000027764927 561884486 /nfs/dbraw/zinc/88/44/86/561884486.db2.gz OFXBWZXSWQJAQF-UHFFFAOYSA-N -1 0 553.134 5.014 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@H](O)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027764214 561884513 /nfs/dbraw/zinc/88/45/13/561884513.db2.gz PJUKABGUVXKGFB-HEMJYUEISA-N -1 0 552.696 6.245 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@@H](O)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1C)C(=O)[O-] ZINC000027765083 561884524 /nfs/dbraw/zinc/88/45/24/561884524.db2.gz DCDYIJATVKPDDB-XWGOHKLRSA-N -1 0 610.820 7.413 1 0 KKAFRM Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCOCCO2 ZINC000027862488 561887291 /nfs/dbraw/zinc/88/72/91/561887291.db2.gz LVTUVSUVYVUOFC-UHFFFAOYSA-N -1 0 702.926 7.276 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C(C)C)nc2OCCOc2ncc(Br)cn2)cc1 ZINC000027899073 561890694 /nfs/dbraw/zinc/89/06/94/561890694.db2.gz QZAKNZJGYFNAEV-UHFFFAOYSA-N -1 0 640.604 6.684 1 0 KKAFRM CCCc1c2c(ccc1OCCCOc1ccc(-c3cscn3)c(OC)c1CC1CC1)[C@H](C(=O)[O-])O2 ZINC000027982839 561891894 /nfs/dbraw/zinc/89/18/94/561891894.db2.gz LWWGEUYNBPUEGD-HHHXNRCGSA-N -1 0 509.624 6.090 1 0 KKAFRM O=C(C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccc(OS(=O)(=O)[O-])cc1 ZINC000027992360 561893215 /nfs/dbraw/zinc/89/32/15/561893215.db2.gz SBGBBQVVEULHEA-VZRYFDSUSA-N -1 0 742.895 5.290 1 0 KKAFRM O=C(C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(OS(=O)(=O)[O-])cc1)NCCc1ccccc1 ZINC000027995958 561893717 /nfs/dbraw/zinc/89/37/17/561893717.db2.gz NNKCZTPNPRZUGT-VZRYFDSUSA-N -1 0 742.895 5.290 1 0 KKAFRM O=C(C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccc(OS(=O)(=O)[O-])cc1)NCCc1ccccc1 ZINC000027995954 561893733 /nfs/dbraw/zinc/89/37/33/561893733.db2.gz NNKCZTPNPRZUGT-FUPMGEMBSA-N -1 0 742.895 5.290 1 0 KKAFRM CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)[O-])CC2 ZINC000027996386 561893929 /nfs/dbraw/zinc/89/39/29/561893929.db2.gz JWDJNOGKHNAJHU-QHCPKHFHSA-N -1 0 565.732 7.130 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(S(=O)(=O)c2ccccc2Br)CCCCC1 ZINC000028003573 561895090 /nfs/dbraw/zinc/89/50/90/561895090.db2.gz DLXMVPUPBYCDMQ-DEOSSOPVSA-N -1 0 570.505 5.405 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)c1nc(C(=O)N[C@H](Cc2ccccn2)C(=O)[O-])c(Cc2cn(C)c3ccccc23)o1 ZINC000028020902 561898444 /nfs/dbraw/zinc/89/84/44/561898444.db2.gz AUUJKEHPADNLED-RRPNLBNLSA-N -1 0 614.747 5.251 1 0 KKAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000028086690 561899218 /nfs/dbraw/zinc/89/92/18/561899218.db2.gz GKJDKQMSFOKPDW-ZHZBSKKGSA-N -1 0 541.648 5.262 1 0 KKAFRM CCCc1oc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028089237 561899683 /nfs/dbraw/zinc/89/96/83/561899683.db2.gz FANQEOMAOLAPAO-BJKOFHAPSA-N -1 0 551.688 5.207 1 0 KKAFRM CCn1cc(C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCC2)c2nc(C(=O)[O-])c(C)o2)c2ccccc21 ZINC000028092574 561900185 /nfs/dbraw/zinc/90/01/85/561900185.db2.gz XQWPIIVSZRMFHI-BJKOFHAPSA-N -1 0 551.688 5.102 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000028103746 561901996 /nfs/dbraw/zinc/90/19/96/561901996.db2.gz KHOPIGLQZFZWPY-UHFFFAOYSA-N -1 0 584.496 5.387 1 0 KKAFRM Cc1c(C(=O)[O-])nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)n1Cc1ccccc1 ZINC000028104216 561902068 /nfs/dbraw/zinc/90/20/68/561902068.db2.gz PQGJAIKXECZWQR-IHLOFXLRSA-N -1 0 612.775 5.820 1 0 KKAFRM CCCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028110842 561903012 /nfs/dbraw/zinc/90/30/12/561903012.db2.gz CYKLPMXEWPCQGF-UHFFFAOYSA-N -1 0 545.448 5.244 1 0 KKAFRM O=C(c1ccc(-c2ccccc2)cc1)n1c2ccc(S(=O)(=O)[O-])cc2c2c1CCN(C(=O)c1ccccc1)C2 ZINC000028121189 561904550 /nfs/dbraw/zinc/90/45/50/561904550.db2.gz CFFPJZKAJIKAFV-UHFFFAOYSA-N -1 0 536.609 5.442 1 0 KKAFRM CC[C@@H](Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(=O)[O-] ZINC000028130483 561905685 /nfs/dbraw/zinc/90/56/85/561905685.db2.gz XTHHGKZVXMNJNA-AREMUKBSSA-N -1 0 541.522 6.378 1 0 KKAFRM CCC[C@H](Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(=O)[O-] ZINC000028133475 561906212 /nfs/dbraw/zinc/90/62/12/561906212.db2.gz UNNWWBCMUJHNAH-MHZLTWQESA-N -1 0 555.549 6.768 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CC1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CC1 ZINC000028241524 561910485 /nfs/dbraw/zinc/91/04/85/561910485.db2.gz YWOXUUBDYGTWET-ZEQRLZLVSA-N -1 0 625.427 5.698 1 0 KKAFRM Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)[O-])NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000028249631 561910857 /nfs/dbraw/zinc/91/08/57/561910857.db2.gz LMIPXHAXVWAMTP-VUFPLIBQSA-N -1 0 671.839 6.280 1 0 KKAFRM CC(C)(C)C(=O)N(Cc1ccccc1)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028336960 561913423 /nfs/dbraw/zinc/91/34/23/561913423.db2.gz ONPSCSQTOAOZKE-HHHXNRCGSA-N -1 0 603.546 8.236 1 0 KKAFRM COc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028338698 561913682 /nfs/dbraw/zinc/91/36/82/561913682.db2.gz ZPYVSGYLDUOOIZ-QFIPXVFZSA-N -1 0 600.543 7.095 1 0 KKAFRM COc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028338758 561913771 /nfs/dbraw/zinc/91/37/71/561913771.db2.gz BYORRPJZRWMSCK-HSZRJFAPSA-N -1 0 599.555 7.700 1 0 KKAFRM CC(C)c1ccc([C@H]2C(=O)Nc3ccc(I)cc3C(=O)N2[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000028342138 561914277 /nfs/dbraw/zinc/91/42/77/561914277.db2.gz JTTRNKYMICLIFV-GOTSBHOMSA-N -1 0 554.384 5.376 1 0 KKAFRM Cc1cc(C)c(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)[O-])cc2)CCc2ccc(-c3ccccc3)cc2)cc1C ZINC000028237151 561909979 /nfs/dbraw/zinc/90/99/79/561909979.db2.gz HOGWWJJFMIOPET-UHFFFAOYSA-N -1 0 580.794 8.553 1 0 KKAFRM CC(C)CN(C(=O)CC(C)(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028348323 561915303 /nfs/dbraw/zinc/91/53/03/561915303.db2.gz PFZJBGKNOSJETR-VWLOTQADSA-N -1 0 583.556 8.082 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccc(C)cc4)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028351607 561915491 /nfs/dbraw/zinc/91/54/91/561915491.db2.gz MJAMHKNGPMBSFJ-UHFFFAOYSA-N -1 0 540.078 9.086 1 0 KKAFRM CC(C)CN(C(=O)Cc1ccccc1)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028351629 561915508 /nfs/dbraw/zinc/91/55/08/561915508.db2.gz JXQPNIGJKJSNSP-MUUNZHRXSA-N -1 0 603.546 7.888 1 0 KKAFRM CN(C(=O)Cc1ccccc1)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352307 561915667 /nfs/dbraw/zinc/91/56/67/561915667.db2.gz URXBXAULDOOJFP-RUZDIDTESA-N -1 0 561.465 6.862 1 0 KKAFRM CC(C)CN(C(=O)C(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352150 561915719 /nfs/dbraw/zinc/91/57/19/561915719.db2.gz JGYQKOZVMMAYHC-DEOSSOPVSA-N -1 0 555.502 7.302 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000028362718 561917039 /nfs/dbraw/zinc/91/70/39/561917039.db2.gz CXMGOWOOYBXKEU-UHFFFAOYSA-N -1 0 544.673 6.383 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)[O-])c2)cc1 ZINC000028369386 561918090 /nfs/dbraw/zinc/91/80/90/561918090.db2.gz OPFLNMACCBQBDJ-UHFFFAOYSA-N -1 0 574.699 6.609 1 0 KKAFRM C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000028455312 561923458 /nfs/dbraw/zinc/92/34/58/561923458.db2.gz ATNQYANDRCXPIB-AZIJPUFSSA-N -1 0 534.741 5.868 1 0 KKAFRM C[C@@]1(C(=O)[O-])CCC[C@]2(C)c3cc(OC(=O)[C@@]4(C)CCC[C@]5(C)c6cc(O)ccc6CC[C@@H]45)ccc3CC[C@@H]12 ZINC000028475551 561927962 /nfs/dbraw/zinc/92/79/62/561927962.db2.gz ZSYSAEZLDANPLF-DULZRZHNSA-N -1 0 530.705 7.103 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Sc2nc3ccccc3s2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475500 561927969 /nfs/dbraw/zinc/92/79/69/561927969.db2.gz SBUIFLNUJDRFHZ-XEDGMNADSA-N -1 0 641.856 5.402 1 0 KKAFRM CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc43)c3ccc(OC(F)(F)F)cc32)cc1O[C@@H](C)C(=O)[O-] ZINC000028476759 561928238 /nfs/dbraw/zinc/92/82/38/561928238.db2.gz NKVXQMXXQRJUBJ-INIZCTEOSA-N -1 0 588.966 8.229 1 0 KKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3Cl)nc2c1 ZINC000028525169 561931098 /nfs/dbraw/zinc/93/10/98/561931098.db2.gz PLMGYZYIYRRZDT-FPYGCLRLSA-N -1 0 501.753 6.734 1 0 KKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21 ZINC000028565415 561936210 /nfs/dbraw/zinc/93/62/10/561936210.db2.gz BVFHNBILEFPJHJ-IZZNHLLZSA-N -1 0 511.618 7.088 1 0 KKAFRM Cc1c(CC[S@@](=O)CCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028566671 561936458 /nfs/dbraw/zinc/93/64/58/561936458.db2.gz MRGHYHGJTPVEMT-LDLOPFEMSA-N -1 0 556.127 7.473 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028567218 561936678 /nfs/dbraw/zinc/93/66/78/561936678.db2.gz FVZVTWLLVVFJRM-UHFFFAOYSA-N -1 0 572.126 7.274 1 0 KKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(I)c2)C1C(=O)OC/C=C/c1ccccc1 ZINC000028567939 561937129 /nfs/dbraw/zinc/93/71/29/561937129.db2.gz VTFIIBUAQZLPSH-SEQIXAESSA-N -1 0 515.347 5.708 1 0 KKAFRM CCCS(=O)(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708826 561950421 /nfs/dbraw/zinc/95/04/21/561950421.db2.gz UDQVHMUSJBKVKW-UHFFFAOYSA-N -1 0 544.717 7.168 1 0 KKAFRM CN1c2ccc(S(C)(=O)=O)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708824 561950427 /nfs/dbraw/zinc/95/04/27/561950427.db2.gz GYTBJRHTFYNUPD-UHFFFAOYSA-N -1 0 516.663 6.388 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(Cc4ccccc4)Cc4ccc(C(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709069 561950564 /nfs/dbraw/zinc/95/05/64/561950564.db2.gz NAWHWXPRQBZEKC-ZHDLQPECSA-N -1 0 696.888 7.704 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(C)Cc4cccc(C(=O)[O-])c4)cc3)C[C@@]21C ZINC000028709075 561950665 /nfs/dbraw/zinc/95/06/65/561950665.db2.gz NJSSTFQIZSYSEG-NVUQLSLKSA-N -1 0 620.790 6.134 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c1 ZINC000028655799 561946678 /nfs/dbraw/zinc/94/66/78/561946678.db2.gz LWFUCTBCDZRRHU-UHFFFAOYSA-N -1 0 596.728 6.335 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3cn(CC(=O)[O-])cn3)c2)C1=O ZINC000028655872 561946843 /nfs/dbraw/zinc/94/68/43/561946843.db2.gz PXWPRICQSRGHSM-UHFFFAOYSA-N -1 0 598.704 5.415 1 0 KKAFRM Cc1cc(SCC(COc2ccc(C(F)(F)F)cc2)COc2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000028704687 561948814 /nfs/dbraw/zinc/94/88/14/561948814.db2.gz LMAFXMUKSGANBL-UHFFFAOYSA-N -1 0 574.539 7.362 1 0 KKAFRM Cc1ccc2nc(-c3ccc(-c4ccccc4C(=O)[O-])cc3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(=O)c2c1 ZINC000028758670 561957382 /nfs/dbraw/zinc/95/73/82/561957382.db2.gz YBXPALHPXUXCNA-UHFFFAOYSA-N -1 0 590.643 6.633 1 0 KKAFRM COc1cccc(-c2cc(-c3ccc(-c4c5ccccc5sc4Cc4ccccc4)cc3)ccc2OCC(=O)[O-])c1OC ZINC000028758934 561957510 /nfs/dbraw/zinc/95/75/10/561957510.db2.gz KDPLJACDNJPAMZ-UHFFFAOYSA-N -1 0 586.709 8.974 1 0 KKAFRM COc1ccc(-n2nc(C)c3c2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c3-c2ccc(F)cc2)cc1 ZINC000028755699 561955714 /nfs/dbraw/zinc/95/57/14/561955714.db2.gz GKHVHLLIYURCJG-MBNXQSCSSA-N -1 0 533.600 5.267 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(=O)[O-])cc1 ZINC000028760839 561958040 /nfs/dbraw/zinc/95/80/40/561958040.db2.gz MBCXNHSHFBKSOW-UHFFFAOYSA-N -1 0 552.842 5.900 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761506 561958102 /nfs/dbraw/zinc/95/81/02/561958102.db2.gz UTSFQPTVPZNJJH-VMPREFPWSA-N -1 0 548.664 5.574 1 0 KKAFRM O=C([O-])CCCC[C@@H]1SC[C@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769072 561960579 /nfs/dbraw/zinc/96/05/79/561960579.db2.gz NDLRMDXVGOEAPH-QNWVGRARSA-N -1 0 582.358 6.147 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc4ccccc4c3)cc2Cl)c1 ZINC000028816404 561964088 /nfs/dbraw/zinc/96/40/88/561964088.db2.gz LFODZVYWAHZURL-UHFFFAOYSA-N -1 0 643.910 9.652 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1cccc(C(F)(F)F)c1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820959 561966142 /nfs/dbraw/zinc/96/61/42/561966142.db2.gz XVEQRPZDOZYYNU-MUUNZHRXSA-N -1 0 583.562 7.578 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1ccc(C(F)(F)F)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820977 561966175 /nfs/dbraw/zinc/96/61/75/561966175.db2.gz QAVXEVPNTDXWEB-MUUNZHRXSA-N -1 0 583.562 7.578 1 0 KKAFRM COc1ccc([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000028820981 561966177 /nfs/dbraw/zinc/96/61/77/561966177.db2.gz UVOUAAFQOMZWKK-GDLZYMKVSA-N -1 0 545.591 6.568 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1ccc(Br)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820966 561966181 /nfs/dbraw/zinc/96/61/81/561966181.db2.gz PDSOZWDRBTXPJR-NDEPHWFRSA-N -1 0 594.461 7.322 1 0 KKAFRM CN1c2ccc(NC(=O)/C=C/c3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824095 561968816 /nfs/dbraw/zinc/96/88/16/561968816.db2.gz AVPVQAULDWVWHT-WOJGMQOQSA-N -1 0 583.732 8.636 1 0 KKAFRM CN1c2ccc(NC(=O)Cc3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824081 561968821 /nfs/dbraw/zinc/96/88/21/561968821.db2.gz LVTJVMIOUJEYBG-UHFFFAOYSA-N -1 0 571.721 8.165 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824150 561969183 /nfs/dbraw/zinc/96/91/83/561969183.db2.gz ZCSCHMBVBAZCEQ-LVZFUZTISA-N -1 0 619.787 8.397 1 0 KKAFRM CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(C(=O)CCC(=O)[O-])CC2)c1 ZINC000028825282 561970703 /nfs/dbraw/zinc/97/07/03/561970703.db2.gz SLEMREGOHUIDLW-UHFFFAOYSA-N -1 0 607.107 5.772 1 0 KKAFRM Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825476 561970780 /nfs/dbraw/zinc/97/07/80/561970780.db2.gz DKIFKNHRBFRHBV-UHFFFAOYSA-N -1 0 523.454 6.256 1 0 KKAFRM CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)[O-] ZINC000028825492 561970782 /nfs/dbraw/zinc/97/07/82/561970782.db2.gz OLSUHVQNYCQQTK-GOSISDBHSA-N -1 0 537.031 7.142 1 0 KKAFRM CCc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)[O-])c(C)c2)c1 ZINC000028825461 561970794 /nfs/dbraw/zinc/97/07/94/561970794.db2.gz BVFYJVGNRKVVMI-UHFFFAOYSA-N -1 0 515.528 6.541 1 0 KKAFRM COc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)[O-])c(C)c2)c1 ZINC000028825467 561970815 /nfs/dbraw/zinc/97/08/15/561970815.db2.gz ZLJFPKMNDWYDBS-UHFFFAOYSA-N -1 0 517.500 5.987 1 0 KKAFRM COc1ccc(-c2c(=O)c3c(O)cc([O-])cc3oc2CCCC(=O)NCCCCCCNC(=O)OC(C)(C)C)cc1 ZINC000028827365 561971761 /nfs/dbraw/zinc/97/17/61/561971761.db2.gz BWJWOUHQWSZPTK-UHFFFAOYSA-N -1 0 568.667 5.404 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]2C1 ZINC000028877247 561975879 /nfs/dbraw/zinc/97/58/79/561975879.db2.gz LRVLXIDFKJYYJZ-ZXPDRGDVSA-N -1 0 698.817 6.042 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(N4CCCC4=O)ccc3Oc3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000028893946 561978677 /nfs/dbraw/zinc/97/86/77/561978677.db2.gz XUBRZZPRCNPZKB-UHFFFAOYSA-N -1 0 654.138 9.197 1 0 KKAFRM O=S(=O)([N-]c1ccc(-c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000028948677 561980385 /nfs/dbraw/zinc/98/03/85/561980385.db2.gz GDTWYFXQBZSXTG-UHFFFAOYSA-N -1 0 598.493 6.073 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)c4ccco4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957952 561983450 /nfs/dbraw/zinc/98/34/50/561983450.db2.gz JERKJXNMVDDVBC-VWLOTQADSA-N -1 0 532.618 5.098 1 0 KKAFRM CC(C)c1c(S(=O)(=O)N2CCc3ccccc3C2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037737 561988688 /nfs/dbraw/zinc/98/86/88/561988688.db2.gz STBNWPSJTYYOOA-LOYHVIPDSA-N -1 0 652.760 5.947 1 0 KKAFRM COCn1cc([C@](O)(C(=O)[O-])C(F)(F)F)c2cc(OCCc3sc(-c4ccc(Cl)cc4)nc3C)ccc21 ZINC000028961357 561984163 /nfs/dbraw/zinc/98/41/63/561984163.db2.gz VPFGNADKKJKVEG-DEOSSOPVSA-N -1 0 554.974 5.787 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccc(F)cc1 ZINC000028961564 561984346 /nfs/dbraw/zinc/98/43/46/561984346.db2.gz MTKUIVNNVXTHOZ-HHHXNRCGSA-N -1 0 595.998 6.946 1 0 KKAFRM O=C([O-])C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 ZINC000028962463 561984550 /nfs/dbraw/zinc/98/45/50/561984550.db2.gz QCEUQTCZDVNXOT-LJAQVGFWSA-N -1 0 518.972 6.116 1 0 KKAFRM COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CC[C@]2(C=C(C(=O)[O-])CC2)Cc2ccccc21 ZINC000028962445 561984560 /nfs/dbraw/zinc/98/45/60/561984560.db2.gz ZQWDFLJKWPBHNX-HKBQPEDESA-N -1 0 528.580 5.779 1 0 KKAFRM COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CC[C@@]2(C=C(C(=O)[O-])CC2)Cc2ccccc21 ZINC000028962451 561984562 /nfs/dbraw/zinc/98/45/62/561984562.db2.gz ZQWDFLJKWPBHNX-WJOKGBTCSA-N -1 0 528.580 5.779 1 0 KKAFRM O=C([O-])C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000028962356 561984571 /nfs/dbraw/zinc/98/45/71/561984571.db2.gz KZCXFPCSRNPGPI-DHUJRADRSA-N -1 0 542.635 6.990 1 0 KKAFRM COc1cc(O)ccc1CC[C@@H](c1ccc(O)cc1)c1cc(CCC(=O)c2ccc(O)cc2)c(OC)cc1OC ZINC000028968090 561985491 /nfs/dbraw/zinc/98/54/91/561985491.db2.gz QFWXEYRQNKRQDH-NDEPHWFRSA-N -1 0 542.628 6.409 1 0 in-vivo KKAFRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(Br)ccc3C(=O)N3CCCCC3)s2)cs1 ZINC000028969369 561985667 /nfs/dbraw/zinc/98/56/67/561985667.db2.gz RICOSWZFJRUUQJ-UHFFFAOYSA-N -1 0 526.503 5.369 1 0 KKAFRM CC(C)CCN1CC=C(CCC[C@@H](CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)[O-])C1=O ZINC000028973304 561986239 /nfs/dbraw/zinc/98/62/39/561986239.db2.gz WCHHCUSNEGNTQI-AQYJNGKQSA-N -1 0 537.807 6.986 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978719 561987979 /nfs/dbraw/zinc/98/79/79/561987979.db2.gz GXMUAXSMPDAKHA-MGBGTMOVSA-N -1 0 631.650 9.142 1 0 KKAFRM Cc1cc(CC(=O)[O-])c(C)cc1COc1cccc(-c2c(Cc3ccccc3)cnc3c2cccc3C(F)(F)F)c1 ZINC000028978833 561988054 /nfs/dbraw/zinc/98/80/54/561988054.db2.gz AAXKPQBGHZNCOJ-UHFFFAOYSA-N -1 0 555.596 8.334 1 0 KKAFRM COc1c([O-])c(Oc2ccc(Br)cc2Br)c(Br)c(Br)c1Br ZINC000029041821 561991198 /nfs/dbraw/zinc/99/11/98/561991198.db2.gz QHLGNSNAZCEPSX-UHFFFAOYSA-N -1 0 610.716 7.006 1 0 KKAFRM CCCOC(=O)N1C=C(Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@H](C(=O)[O-])CC1 ZINC000029044951 561992434 /nfs/dbraw/zinc/99/24/34/561992434.db2.gz PEQYJQCGWJYJFU-RUZDIDTESA-N -1 0 504.583 5.651 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)Oc3ccccc3)CC[C@@H]2CC(=O)[O-])c1 ZINC000029045529 561992488 /nfs/dbraw/zinc/99/24/88/561992488.db2.gz IIGKUFIQZADLCW-LEAFIULHSA-N -1 0 540.616 6.351 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])c1 ZINC000029045674 561992605 /nfs/dbraw/zinc/99/26/05/561992605.db2.gz AESPUDBVEVJROB-AHWVRZQESA-N -1 0 520.626 5.629 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])cc1 ZINC000029045858 561992621 /nfs/dbraw/zinc/99/26/21/561992621.db2.gz KIAYYQXSCFRAQS-AZGAKELHSA-N -1 0 520.626 5.629 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(F)cc3)[C@H]2C(=O)[O-])c1 ZINC000029126667 561998746 /nfs/dbraw/zinc/99/87/46/561998746.db2.gz XUCFNKPVYCHTKK-AOYPEHQESA-N -1 0 500.526 5.069 1 0 KKAFRM CCCCCCOc1ccc(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000029127165 561999538 /nfs/dbraw/zinc/99/95/38/561999538.db2.gz PCCSZLRCEHQSME-FPDDAMERSA-N -1 0 545.764 7.697 1 0 KKAFRM [NH3+][C@@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029208988 562005559 /nfs/dbraw/zinc/00/55/59/562005559.db2.gz JDHXZXXLCOKDRZ-MJSOWUPRSA-N -1 0 570.626 5.122 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000029213751 562006174 /nfs/dbraw/zinc/00/61/74/562006174.db2.gz DTJLPMZMBHNVNY-VMPREFPWSA-N -1 0 685.649 5.532 1 0 KKAFRM O=C([O-])[C@H](CC(=O)Nc1cccc2ccccc21)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214698 562006248 /nfs/dbraw/zinc/00/62/48/562006248.db2.gz CJCJUHIKMMSLOK-VMPREFPWSA-N -1 0 681.617 5.806 1 0 KKAFRM O=C([O-])C[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000029214058 562006255 /nfs/dbraw/zinc/00/62/55/562006255.db2.gz AHQATBOIVCZNNN-WDYNHAJCSA-N -1 0 681.617 5.806 1 0 KKAFRM CN(C(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(=O)[O-] ZINC000029214952 562006389 /nfs/dbraw/zinc/00/63/89/562006389.db2.gz ZCYXMVBVGDGXKN-QHCPKHFHSA-N -1 0 574.505 5.416 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2cccnc21 ZINC000029216265 562006468 /nfs/dbraw/zinc/00/64/68/562006468.db2.gz PTDFKFFJLGEJAM-WUFINQPMSA-N -1 0 696.632 5.591 1 0 KKAFRM CN(C(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc21 ZINC000029216274 562006503 /nfs/dbraw/zinc/00/65/03/562006503.db2.gz FLNLFYXXUZEJAA-XZWHSSHBSA-N -1 0 709.671 6.221 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(F)cc2F)C[C@@H]1C(=O)[O-] ZINC000029216152 562006504 /nfs/dbraw/zinc/00/65/04/562006504.db2.gz WXEZVXRUAQPIJB-VGIXQKKKSA-N -1 0 621.681 5.431 1 0 KKAFRM CN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1 ZINC000029217177 562006726 /nfs/dbraw/zinc/00/67/26/562006726.db2.gz VLMSFPMXZNKXCW-SXOMAYOGSA-N -1 0 659.611 5.067 1 0 KKAFRM C[C@@](Cc1ccccc1)(NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029217383 562006738 /nfs/dbraw/zinc/00/67/38/562006738.db2.gz UZPCMZSMKQMINA-QCDSWUKFSA-N -1 0 602.559 5.257 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000029218046 562006811 /nfs/dbraw/zinc/00/68/11/562006811.db2.gz FZNQMJNVPNGWMG-ZZTKAFBZSA-N -1 0 731.762 6.127 1 0 KKAFRM CC[C@H](OC(=O)c1ccccc1)c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1 ZINC000029237043 562009744 /nfs/dbraw/zinc/00/97/44/562009744.db2.gz QFJHMAJWIGJAAF-INIZCTEOSA-N -1 0 501.486 5.976 1 0 KKAFRM CCC[S@@](=O)c1cc(N[C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029347482 562016480 /nfs/dbraw/zinc/01/64/80/562016480.db2.gz BUURXBWZMBAAGF-CDAMAVENSA-N -1 0 555.871 5.315 1 0 KKAFRM COc1ccc(-c2csc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)[O-])CC4)c3)n2)cc1 ZINC000029388576 562016747 /nfs/dbraw/zinc/01/67/47/562016747.db2.gz ABUORUUTGDPPSU-CFGRSBKHSA-N -1 0 613.845 8.879 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(-c3ccccc3)cs2)c1 ZINC000029389450 562017066 /nfs/dbraw/zinc/01/70/66/562017066.db2.gz QLXNVNPUXWHBBN-LILAQJHVSA-N -1 0 583.819 8.870 1 0 KKAFRM O=C([O-])CCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000029402409 562019855 /nfs/dbraw/zinc/01/98/55/562019855.db2.gz XGGDQEWNTPWFSR-UHFFFAOYSA-N -1 0 566.489 5.500 1 0 KKAFRM O=C([O-])[C@]12CN(C(=O)Cc3ccccc3OCc3ccccc3)C[C@H]1[C@@]1(c3ccccc3)CC[C@@H]2c2ccccc21 ZINC000029480477 562027275 /nfs/dbraw/zinc/02/72/75/562027275.db2.gz MIYGFNUNHXJSNN-FZLNFISESA-N -1 0 543.663 6.215 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000029465420 562024174 /nfs/dbraw/zinc/02/41/74/562024174.db2.gz QVDAJXFPQSTEKZ-UHFFFAOYSA-N -1 0 533.964 5.348 1 0 KKAFRM CCCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029480796 562027365 /nfs/dbraw/zinc/02/73/65/562027365.db2.gz SJEIAAGTHRFNBS-RUZDIDTESA-N -1 0 545.579 7.322 1 0 KKAFRM CCCc1c(OCCCCCOc2c(C(C)=O)cc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(C(C)=O)c1O ZINC000029487044 562028506 /nfs/dbraw/zinc/02/85/06/562028506.db2.gz FZNLMZUINQZRQS-HHHXNRCGSA-N -1 0 540.653 6.109 1 0 KKAFRM CCCc1c(OCCCCCOc2c(C(C)=O)cc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(C(C)=O)c1O ZINC000029487047 562028541 /nfs/dbraw/zinc/02/85/41/562028541.db2.gz FZNLMZUINQZRQS-MHZLTWQESA-N -1 0 540.653 6.109 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1 ZINC000029545414 562029574 /nfs/dbraw/zinc/02/95/74/562029574.db2.gz QOFXZNBRDPPMAB-BJMVGYQFSA-N -1 0 548.451 7.376 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(=O)CC)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545786 562029729 /nfs/dbraw/zinc/02/97/29/562029729.db2.gz IPSSDZOAOOSGHM-VWLOTQADSA-N -1 0 512.599 5.546 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCCC(=O)[O-])CC[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 ZINC000029553667 562031714 /nfs/dbraw/zinc/03/17/14/562031714.db2.gz RTSHVURFERRWRF-VGPZXGAYSA-N -1 0 555.844 7.520 1 0 KKAFRM Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029553981 562031719 /nfs/dbraw/zinc/03/17/19/562031719.db2.gz SVIJTQZVPOULGV-DQEYMECFSA-N -1 0 531.674 6.419 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2cc(Cc3ccccc3)sc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000029560044 562032905 /nfs/dbraw/zinc/03/29/05/562032905.db2.gz OVYVZRZLFTWXDU-UHFFFAOYSA-N -1 0 620.800 7.097 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2cc(CN3CCOCC3)sc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000029562513 562033583 /nfs/dbraw/zinc/03/35/83/562033583.db2.gz QOUGSHMWCZQBOM-UHFFFAOYSA-N -1 0 629.808 5.338 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccsc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000029564710 562034063 /nfs/dbraw/zinc/03/40/63/562034063.db2.gz OWFNTWFRRJJDNG-UHFFFAOYSA-N -1 0 530.675 5.506 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2cc(C)sc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000029568392 562034930 /nfs/dbraw/zinc/03/49/30/562034930.db2.gz JWDCJJUOJHTKPX-UHFFFAOYSA-N -1 0 544.702 5.814 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc3C2)c(C)c1 ZINC000034638390 562039391 /nfs/dbraw/zinc/03/93/91/562039391.db2.gz ZWWWJKRNSRHDLG-YTTGMZPUSA-N -1 0 521.617 6.151 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799721 562040589 /nfs/dbraw/zinc/04/05/89/562040589.db2.gz LCRNDTPQUQXLMU-RRURFNPQSA-N -1 0 617.739 6.205 1 0 KKAFRM CCC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000034799769 562040621 /nfs/dbraw/zinc/04/06/21/562040621.db2.gz VJMYLKNTGZJGFQ-MJSOWUPRSA-N -1 0 707.817 6.375 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799757 562040623 /nfs/dbraw/zinc/04/06/23/562040623.db2.gz QQZLALCZNWXPLL-LDVROUIZSA-N -1 0 589.685 5.569 1 0 KKAFRM CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000034799749 562040624 /nfs/dbraw/zinc/04/06/24/562040624.db2.gz XCCRAOPQCACRFC-NGDRWEMDSA-N -1 0 693.790 5.985 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799801 562040656 /nfs/dbraw/zinc/04/06/56/562040656.db2.gz NDOCMFOFQQGROG-ABCZBHHISA-N -1 0 707.817 6.231 1 0 KKAFRM CN1c2ccc(I)cc2C(=O)N([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000036184579 562050204 /nfs/dbraw/zinc/05/02/04/562050204.db2.gz NFQDVKDBCGSJQN-RTWAWAEBSA-N -1 0 595.220 5.584 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOC(C)(C)C(=O)[O-])c3S1 ZINC000036222812 562051705 /nfs/dbraw/zinc/05/17/05/562051705.db2.gz YFLMASPIUUJYCM-HSZRJFAPSA-N -1 0 627.206 8.443 1 0 KKAFRM C[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000036222783 562051709 /nfs/dbraw/zinc/05/17/09/562051709.db2.gz JUCMXSKRJAYSAJ-GOTSBHOMSA-N -1 0 613.179 8.053 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOCCC(=O)[O-])c3S1 ZINC000036222810 562051716 /nfs/dbraw/zinc/05/17/16/562051716.db2.gz ANAOOXHMVINFDW-QHCPKHFHSA-N -1 0 613.179 8.055 1 0 KKAFRM C[C@H](CC(=O)[O-])SCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000036222778 562051730 /nfs/dbraw/zinc/05/17/30/562051730.db2.gz ULSOCMANROLXHS-PKTZIBPZSA-N -1 0 629.247 9.117 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CSCCC(=O)[O-])c3S1 ZINC000036222819 562051751 /nfs/dbraw/zinc/05/17/51/562051751.db2.gz COZPYVWTDTZGTN-JOCHJYFZSA-N -1 0 615.220 8.729 1 0 KKAFRM CC(C)(O)c1ccccc1CS[C@@H](CCC(C)(C)CC(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268356 562052459 /nfs/dbraw/zinc/05/24/59/562052459.db2.gz JWDZZXBDARBACX-YTTGMZPUSA-N -1 0 590.229 9.156 1 0 KKAFRM CC[C@H](CS[C@@H](CCc1ccccc1S(C)(=O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268480 562052545 /nfs/dbraw/zinc/05/25/45/562052545.db2.gz GEOZHTBWXVDYEL-PBBNMVCDSA-N -1 0 598.186 7.389 1 0 KKAFRM CC[C@H](CS[C@H](CCc1ccccc1S(C)(=O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268486 562052549 /nfs/dbraw/zinc/05/25/49/562052549.db2.gz GEOZHTBWXVDYEL-ONOMSOESSA-N -1 0 598.186 7.389 1 0 KKAFRM CCNC(=O)c1ccccc1CC[C@H](SC[C@@H](CC)C(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268463 562052571 /nfs/dbraw/zinc/05/25/71/562052571.db2.gz XTIBDWYDLHORPE-UVDDSOTQSA-N -1 0 591.173 7.735 1 0 KKAFRM C[C@H](CC[C@@H](SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268504 562052671 /nfs/dbraw/zinc/05/26/71/562052671.db2.gz RNIYBTBWFIDQPX-WHEMITMOSA-N -1 0 525.114 7.202 1 0 KKAFRM C[C@@H](CC[C@@H](SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268501 562052718 /nfs/dbraw/zinc/05/27/18/562052718.db2.gz RNIYBTBWFIDQPX-MMCLKCSGSA-N -1 0 525.114 7.202 1 0 KKAFRM CS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000036310659 562055041 /nfs/dbraw/zinc/05/50/41/562055041.db2.gz JBAMZMQKJFPUMC-UHFFFAOYSA-N -1 0 603.140 6.344 1 0 KKAFRM COc1cc(OCc2ccccc2-c2ccccc2)ccc1-c1nc2cc(C(=O)[O-])ccc2n1C1CCCCC1 ZINC000036350409 562058093 /nfs/dbraw/zinc/05/80/93/562058093.db2.gz ZVULSSSMANUZDD-UHFFFAOYSA-N -1 0 532.640 8.161 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C2Cc3ccccc3C2)cc1 ZINC000036351395 562058210 /nfs/dbraw/zinc/05/82/10/562058210.db2.gz SMZDOTGTGUTONB-UHFFFAOYSA-N -1 0 557.594 5.705 1 0 KKAFRM NC(=O)c1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)cc1 ZINC000036350442 562058217 /nfs/dbraw/zinc/05/82/17/562058217.db2.gz FSCIOEAQSHSDMS-UHFFFAOYSA-N -1 0 580.084 7.905 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC(Oc3ccccc3)CC2)cc1 ZINC000036351404 562058231 /nfs/dbraw/zinc/05/82/31/562058231.db2.gz BZOIQAMQFYYKPX-UHFFFAOYSA-N -1 0 599.606 6.214 1 0 KKAFRM O=C([O-])CCc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 ZINC000037866946 562062325 /nfs/dbraw/zinc/06/23/25/562062325.db2.gz HCDGYPYEMIZSLM-UHFFFAOYSA-N -1 0 525.388 6.141 1 0 KKAFRM CC(C)(C)C1CCC(N(Cc2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036351410 562058316 /nfs/dbraw/zinc/05/83/16/562058316.db2.gz GFRYMNYDKDZMHR-LPXOAACNSA-N -1 0 603.682 7.161 1 0 KKAFRM COc1ccc(CC(=O)[O-])cc1-c1noc(-c2ccccc2)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866944 562062329 /nfs/dbraw/zinc/06/23/29/562062329.db2.gz WURVUFQXWVINHM-UHFFFAOYSA-N -1 0 541.387 5.760 1 0 KKAFRM CC(C)(C)c1onc(-c2ccc(CC(=O)[O-])cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866931 562062346 /nfs/dbraw/zinc/06/23/46/562062346.db2.gz VZGPQBGNXKUSIH-UHFFFAOYSA-N -1 0 525.816 6.035 1 0 KKAFRM O=C([O-])Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 ZINC000037866948 562062354 /nfs/dbraw/zinc/06/23/54/562062354.db2.gz HINPKGVWVQYESB-UHFFFAOYSA-N -1 0 511.361 5.751 1 0 in-vitro KKAFRM O=C([O-])Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)CCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000037866936 562062363 /nfs/dbraw/zinc/06/23/63/562062363.db2.gz VINJHESJAFNNRA-UHFFFAOYSA-N -1 0 544.818 7.638 1 0 KKAFRM Cc1onc(-c2ccc(CC(=O)[O-])cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000037866927 562062368 /nfs/dbraw/zinc/06/23/68/562062368.db2.gz GYIROJSAFURELI-UHFFFAOYSA-N -1 0 550.839 5.777 1 0 KKAFRM CC(C)(C)NS(=O)(=O)c1cccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000036380587 562059771 /nfs/dbraw/zinc/05/97/71/562059771.db2.gz FJWYZTNHQWFFLY-UHFFFAOYSA-N -1 0 522.652 5.002 1 0 KKAFRM CC(C)(C)c1cccc2[nH]c([C@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036748837 562061099 /nfs/dbraw/zinc/06/10/99/562061099.db2.gz WFKUERJADOZONT-XZWHSSHBSA-N -1 0 642.803 6.521 1 0 KKAFRM CC(C)(C)c1cccc2[nH]c([C@@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc21 ZINC000036748834 562061118 /nfs/dbraw/zinc/06/11/18/562061118.db2.gz WFKUERJADOZONT-IHLOFXLRSA-N -1 0 642.803 6.521 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000036765702 562061451 /nfs/dbraw/zinc/06/14/51/562061451.db2.gz VVRRKSVMSIMNKI-FSRLMPQOSA-N -1 0 621.302 10.151 1 0 KKAFRM CC(C)(C)OC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1-c1ccccc1O ZINC000037246100 562061594 /nfs/dbraw/zinc/06/15/94/562061594.db2.gz OYNDRFGHUYRMME-UHFFFAOYSA-N -1 0 509.411 6.514 1 0 KKAFRM CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@@H](COc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000038149591 562065976 /nfs/dbraw/zinc/06/59/76/562065976.db2.gz NIFOQZBOAOCXKN-QHCPKHFHSA-N -1 0 575.933 6.926 1 0 KKAFRM CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@H](COc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000038149594 562066024 /nfs/dbraw/zinc/06/60/24/562066024.db2.gz NFIGPODJIQQYKF-JOCHJYFZSA-N -1 0 561.906 6.997 1 0 KKAFRM CC1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COCC(=O)[O-])c3S1 ZINC000038158068 562070037 /nfs/dbraw/zinc/07/00/37/562070037.db2.gz XDYISNUSWJMQEY-OAQYLSRUSA-N -1 0 585.125 7.622 1 0 KKAFRM C[C@@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158073 562070088 /nfs/dbraw/zinc/07/00/88/562070088.db2.gz VXDOAROXLMDCAF-GOTSBHOMSA-N -1 0 629.247 8.975 1 0 KKAFRM CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@@H]2C[C@H](OC(C)=O)[C@]4(C)[C@@H]([C@@H](C)CCC(=O)[O-])CC[C@@H]4[C@H]12)OOC1(CCC(C)CC1)OO3 ZINC000038158779 562070247 /nfs/dbraw/zinc/07/02/47/562070247.db2.gz WFEQWOQEOCWDMV-QFVKMQRQSA-N -1 0 634.807 6.742 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N(CC1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000040402839 562074705 /nfs/dbraw/zinc/07/47/05/562074705.db2.gz YZPAZTZITSDVIU-HHHXNRCGSA-N -1 0 512.071 6.274 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc(OCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)c(Cl)c1 ZINC000040402114 562074708 /nfs/dbraw/zinc/07/47/08/562074708.db2.gz ZMKJHJWPRCQSTG-NRFANRHFSA-N -1 0 510.030 5.620 1 0 KKAFRM Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)[O-])cs3)c2)cc1C ZINC000038945556 562072556 /nfs/dbraw/zinc/07/25/56/562072556.db2.gz QBUJKNBDVBZVJH-IEZNSWIASA-N -1 0 522.692 5.368 1 0 KKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2cc(Cc3ccccc3)ccc21 ZINC000040422708 562075977 /nfs/dbraw/zinc/07/59/77/562075977.db2.gz SCMAGMDUOPURTJ-UHFFFAOYSA-N -1 0 535.684 8.049 1 0 KKAFRM CCc1cc(NC(=O)Nc2ccccc2C)ccc1-c1cccn(Cc2ccc([C@H](C)CC(=O)[O-])cc2)c1=O ZINC000040753137 562079433 /nfs/dbraw/zinc/07/94/33/562079433.db2.gz SUJIFZABSRZWCR-JOCHJYFZSA-N -1 0 523.633 6.657 1 0 KKAFRM CCc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCc2ccc(OC)cc2)[n-]c1=O ZINC000040898785 562083331 /nfs/dbraw/zinc/08/33/31/562083331.db2.gz AYXBUUGUCCNCQI-UHFFFAOYSA-N -1 0 502.480 6.262 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000040918049 562084198 /nfs/dbraw/zinc/08/41/98/562084198.db2.gz WCWZKKRERSWGIV-MUUNZHRXSA-N -1 0 520.050 5.936 1 0 KKAFRM COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O[C@@H]2C[C@@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H]2O)cc1 ZINC000070454488 560048344 /nfs/dbraw/zinc/04/83/44/560048344.db2.gz ZJMDNRILLJIWEM-GSRRZUDWSA-N -1 0 552.620 5.104 1 0 biogenic,in-vitro KKAFRM O=C1C[C@@H](c2ccc(Oc3c(O)cc4c(c3[O-])C(=O)C[C@@H](c3ccc(O)cc3)O4)cc2)Oc2cc(O)cc(O)c21 ZINC000085867410 560066394 /nfs/dbraw/zinc/06/63/94/560066394.db2.gz HTBWACDSWNWBGQ-ZEQRLZLVSA-N -1 0 542.496 5.420 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(C[C@@H](O)[C@]43CO)[C@@H]5C)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12 ZINC000085530761 560073389 /nfs/dbraw/zinc/07/33/89/560073389.db2.gz ZIXMZYRUVAQZIC-HSDUZLQDSA-N -1 0 588.870 6.935 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@@H]1CC[C@H]4C[C@]56CCC[C@@](CC2)([C@@]5(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@H]26)[C@]4(C)[C@H]13 ZINC000085530774 560073399 /nfs/dbraw/zinc/07/33/99/560073399.db2.gz DJIYUJZXXGHGGB-RAFKNGEYSA-N -1 0 524.786 7.432 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1CC=C2CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)C13CCCCC3)[C@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000085489199 560075613 /nfs/dbraw/zinc/07/56/13/560075613.db2.gz WTOGAUCPNHITEU-IXBATIAUSA-N -1 0 580.853 10.212 1 0 biogenic,in-vitro KKAFRM CC(=O)O[C@@H]1C[C@]2(C(=O)[O-])CC[C@]3(C)C(=C2CC1(C)C)C=C[C@H]1[C@@]3(C)CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000059587117 560082811 /nfs/dbraw/zinc/08/28/11/560082811.db2.gz KYGTUJQFJKIWCP-KOJVUYEASA-N -1 0 510.715 6.904 1 0 biogenic,in-vitro KKAFRM CCCCCc1cc2c(c(O)c1C(=O)[O-])-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1C3(C)C ZINC000001554628 560182096 /nfs/dbraw/zinc/18/20/96/560182096.db2.gz FUKMCLKFEWEFSC-UHFFFAOYSA-N -1 0 502.563 5.576 1 0 in-vitro KKAFRM COc1cccc(OC)c1-c1ccc2cc(C[C@@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2c1 ZINC000003925761 560191463 /nfs/dbraw/zinc/19/14/63/560191463.db2.gz FAMJWPBIAKZQIJ-JOCHJYFZSA-N -1 0 524.400 6.257 1 0 in-vitro KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)[O-])CC[C@]2(C)CC[C@]31C ZINC000004165664 560197141 /nfs/dbraw/zinc/19/71/41/560197141.db2.gz MAAVNXPPBHQXNL-BJQJHFGXSA-N -1 0 552.708 6.295 1 0 in-vitro KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)o1 ZINC000043129961 562646308 /nfs/dbraw/zinc/64/63/08/562646308.db2.gz QXMSKBAKEFLPEQ-UHFFFAOYSA-N -1 0 585.366 6.712 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043335017 562647872 /nfs/dbraw/zinc/64/78/72/562647872.db2.gz UXXOACZZNSBGBV-IFQCPBAISA-N -1 0 630.832 10.053 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@@H](CCCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000043532138 562649231 /nfs/dbraw/zinc/64/92/31/562649231.db2.gz OOZQULFFJCGJIN-GFDPGFINSA-N -1 0 630.760 10.215 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)[O-] ZINC000043532060 562649235 /nfs/dbraw/zinc/64/92/35/562649235.db2.gz GGFKTTFJRGFDPW-RUZDIDTESA-N -1 0 538.600 5.247 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)c(OC(F)(F)F)c1 ZINC000043552631 562649634 /nfs/dbraw/zinc/64/96/34/562649634.db2.gz NSGJGOWVFDUULW-FQEVSTJZSA-N -1 0 579.575 6.993 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6c(Cl)cc(Cl)cc6Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043799560 562650880 /nfs/dbraw/zinc/65/08/80/562650880.db2.gz LSGZCDKKORCGKH-POPIVYSMSA-N -1 0 650.175 11.237 1 0 KKAFRM O=C([O-])Cc1ccc(OCc2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000044031647 562651549 /nfs/dbraw/zinc/65/15/49/562651549.db2.gz JHDUFKJHBFYHOS-UHFFFAOYSA-N -1 0 575.832 6.317 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@H](c3ccc(O)cc3)C2)c(C)cc1OCC(=O)[O-] ZINC000044031951 562651652 /nfs/dbraw/zinc/65/16/52/562651652.db2.gz RLVBTZVVBPDNPQ-MHZLTWQESA-N -1 0 540.572 5.083 1 0 KKAFRM C[C@H](C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044069234 562652065 /nfs/dbraw/zinc/65/20/65/562652065.db2.gz YQRYMHFIQMFSDI-QXUSVWKXSA-N -1 0 608.820 6.229 1 0 KKAFRM COc1ccc(N(C(=O)CN2c3ccccc3C(c3ccccc3)=N[C@@H](NC(=O)Nc3cccc(C(=O)[O-])c3)C2=O)C(C)C)cc1 ZINC000044247043 562652707 /nfs/dbraw/zinc/65/27/07/562652707.db2.gz YMDHFPLELFBTFO-YTTGMZPUSA-N -1 0 619.678 5.167 1 0 KKAFRM CC(C)(CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@H]([C@@]5(C)CCCC(C)(C)O5)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@H]2C1(C)C)C(=O)[O-] ZINC000044306377 562653722 /nfs/dbraw/zinc/65/37/22/562653722.db2.gz GEOAWVCOBSLRNC-JXGRFAEPSA-N -1 0 604.869 6.764 1 0 KKAFRM CCCc1cc(C)c(NC(=O)Nc2cc(-c3cccc(F)c3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000044307626 562654035 /nfs/dbraw/zinc/65/40/35/562654035.db2.gz HUGDXVNYJFTTHO-PBBNMVCDSA-N -1 0 577.697 7.093 1 0 KKAFRM CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@](C)(OC(C)=O)[C@H]1OC(C)=O ZINC000044350794 562654378 /nfs/dbraw/zinc/65/43/78/562654378.db2.gz ZMGYWBWWNTYCTP-ZUHVCWEKSA-N -1 0 600.793 6.642 1 0 KKAFRM Cc1ccc(-c2nc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1 ZINC000044351189 562654527 /nfs/dbraw/zinc/65/45/27/562654527.db2.gz FOWILVQQAZMQDQ-UHFFFAOYSA-N -1 0 574.637 5.433 1 0 KKAFRM COC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)[O-])OC(C)=O)[C@@]1(C)CC2 ZINC000044351589 562654739 /nfs/dbraw/zinc/65/47/39/562654739.db2.gz NAIJFFZGPGRMSV-SGTCUYSDSA-N -1 0 618.808 6.172 1 0 in-vitro KKAFRM C[C@H]1CN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000044386953 562656039 /nfs/dbraw/zinc/65/60/39/562656039.db2.gz NEJSXHIFKDWEBQ-GWCFXTLKSA-N -1 0 528.915 5.426 1 0 KKAFRM CC1(C)CC[C@]2(CCCCC(=O)[O-])CC[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 ZINC000044417845 562657220 /nfs/dbraw/zinc/65/72/20/562657220.db2.gz WQCMRUZDPJCZIX-QLZKAMEHSA-N -1 0 512.819 8.794 1 0 KKAFRM COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000045287099 562660186 /nfs/dbraw/zinc/66/01/86/562660186.db2.gz SLCBBINUUITQFO-AREMUKBSSA-N -1 0 503.605 5.342 1 0 KKAFRM Cc1ncc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]1(C)C2 ZINC000045290792 562660343 /nfs/dbraw/zinc/66/03/43/562660343.db2.gz FSYDZDCJQMTWMA-CEJXBKOESA-N -1 0 504.759 7.685 1 0 KKAFRM CCCc1cc2cc(NC(=O)[C@@H](CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000045372561 562662232 /nfs/dbraw/zinc/66/22/32/562662232.db2.gz WRKLSZQCSKSDIC-PMERELPUSA-N -1 0 530.668 8.140 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1scc(-c2ccc3ccccc3c2)c1C(=O)OCc1ccccc1 ZINC000045391004 562662582 /nfs/dbraw/zinc/66/25/82/562662582.db2.gz LTAAJRYNIKWAMI-DNQXCXABSA-N -1 0 513.615 6.755 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000049021302 562663303 /nfs/dbraw/zinc/66/33/03/562663303.db2.gz PIVRGGOHWNDWRT-UHFFFAOYSA-N -1 0 521.569 7.035 1 0 KKAFRM O=C([O-])CC[C@@]1(c2ccc(-c3ccccc3)cc2)CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000049020149 562663348 /nfs/dbraw/zinc/66/33/48/562663348.db2.gz WFKBKGKEWUKRGP-MHZLTWQESA-N -1 0 512.528 6.683 1 0 KKAFRM COc1ccc(-c2nc(COc3ccccc3OCC(=O)[O-])sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049033054 562663435 /nfs/dbraw/zinc/66/34/35/562663435.db2.gz JRKVGPRKUZSKJK-UHFFFAOYSA-N -1 0 515.509 6.547 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000049032859 562663437 /nfs/dbraw/zinc/66/34/37/562663437.db2.gz UFSNAGVBSDUUTI-UHFFFAOYSA-N -1 0 517.647 7.134 1 0 KKAFRM COc1ccc(-c2nc(Sc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049034017 562663484 /nfs/dbraw/zinc/66/34/84/562663484.db2.gz DUBAIPLHFTZYNK-UHFFFAOYSA-N -1 0 514.024 6.762 1 0 KKAFRM Cc1cccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000049054256 562663862 /nfs/dbraw/zinc/66/38/62/562663862.db2.gz YFAZIOINMOYXDH-IBGZPJMESA-N -1 0 520.969 6.529 1 0 KKAFRM CC1=C[C@@H](Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000049678555 562668564 /nfs/dbraw/zinc/66/85/64/562668564.db2.gz LTRPNRGBYDGFEU-UABRLCRWSA-N -1 0 522.450 6.456 1 0 KKAFRM CN1C(=O)[C@H](NC(=O)c2ccc3ccccc3c2)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049680091 562669084 /nfs/dbraw/zinc/66/90/84/562669084.db2.gz LEOYZGDFRWUAOZ-UWHSVAFCSA-N -1 0 600.505 5.174 1 0 KKAFRM O=C([O-])c1cc2c3ccccc3n(Cc3ccccc3)c2c(CC[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1 ZINC000049694607 562669526 /nfs/dbraw/zinc/66/95/26/562669526.db2.gz CKUQROWWQFUQPO-MHZLTWQESA-N -1 0 532.600 5.245 1 0 KKAFRM CC(C)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000049709697 562671426 /nfs/dbraw/zinc/67/14/26/562671426.db2.gz IFELXALKXPQZMA-CNSFRLJCSA-N -1 0 553.828 7.583 1 0 KKAFRM CCCc1c(SC)c2cc(NC(=O)[C@@H](CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049745984 562674139 /nfs/dbraw/zinc/67/41/39/562674139.db2.gz YWRCLPWCJQIOPK-NDEPHWFRSA-N -1 0 576.762 8.862 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@@H](O)c3ccc(F)cc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049756167 562674848 /nfs/dbraw/zinc/67/48/48/562674848.db2.gz NDTBWCVEHWJXFC-MUUNZHRXSA-N -1 0 584.153 8.138 1 0 KKAFRM Cc1ccc(NC(=O)c2nc(C(F)(F)F)[n-]c2-c2cccc(C(F)(F)F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049757329 562675906 /nfs/dbraw/zinc/67/59/06/562675906.db2.gz BEBDPHBABYIMCG-UHFFFAOYSA-N -1 0 586.496 6.666 1 0 KKAFRM CCC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)C1 ZINC000049771135 562677940 /nfs/dbraw/zinc/67/79/40/562677940.db2.gz XXRVGHCVSNPWSY-NMERAVNKSA-N -1 0 512.775 8.195 1 0 KKAFRM CCOc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049774796 562678765 /nfs/dbraw/zinc/67/87/65/562678765.db2.gz QRABYFHSKVYFQH-UHFFFAOYSA-N -1 0 559.562 7.125 1 0 KKAFRM COc1ccc(-c2nc(CSc3ccc(CC(=O)[O-])cc3Cl)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049775005 562678855 /nfs/dbraw/zinc/67/88/55/562678855.db2.gz IXVHSUFILSMKIN-UHFFFAOYSA-N -1 0 550.023 8.077 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049776234 562679277 /nfs/dbraw/zinc/67/92/77/562679277.db2.gz JNWZRZNFGXWRPH-UHFFFAOYSA-N -1 0 665.211 7.872 1 0 KKAFRM O=S(=O)([N-]c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1 ZINC000049777115 562679677 /nfs/dbraw/zinc/67/96/77/562679677.db2.gz YDGNXSOLWOOFRO-UHFFFAOYSA-N -1 0 517.529 6.713 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)NCCC[C@H](NC(=O)OCc5ccccc5)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000049780053 562681340 /nfs/dbraw/zinc/68/13/40/562681340.db2.gz HJFJAHHDRLZKFV-SHGZEVHMSA-N -1 0 636.830 6.409 1 0 KKAFRM CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6CCCC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000049780599 562681967 /nfs/dbraw/zinc/68/19/67/562681967.db2.gz WQOUQAPBOWIVAT-MYIUGXLZSA-N -1 0 552.840 8.975 1 0 KKAFRM C[C@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3ccc(F)c(F)c3)c2N(Cc2ccc3ccccc3c2)C1=O ZINC000049780657 562682057 /nfs/dbraw/zinc/68/20/57/562682057.db2.gz CIUNNXCSEJQWMF-BJRSVTDJSA-N -1 0 532.568 5.287 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049781034 562682573 /nfs/dbraw/zinc/68/25/73/562682573.db2.gz JXMBKNUVVVOUKU-WEVVVXLNSA-N -1 0 573.351 5.429 1 0 KKAFRM O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049781033 562682577 /nfs/dbraw/zinc/68/25/77/562682577.db2.gz CBYYDCDFSINGQQ-UHFFFAOYSA-N -1 0 575.637 5.422 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049781115 562682688 /nfs/dbraw/zinc/68/26/88/562682688.db2.gz PUNPPNYAWAYFBH-JLHYYAGUSA-N -1 0 551.451 5.754 1 0 KKAFRM COc1cc([C@@H]2CC(c3c([O-])c4ccccc4oc3=O)=NN2C(=S)Nc2ccccc2)cc(OC)c1OC ZINC000049783824 562683240 /nfs/dbraw/zinc/68/32/40/562683240.db2.gz JLKQIBXPIBZHLD-FQEVSTJZSA-N -1 0 531.590 5.073 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049785329 562683979 /nfs/dbraw/zinc/68/39/79/562683979.db2.gz HIMYUCHIDOKJFO-UHFFFAOYSA-N -1 0 574.577 6.909 1 0 KKAFRM Cc1noc(-c2ccccc2)c1CN1[C@H](c2c(C)n(CC(=O)[O-])c3ccccc32)c2ccccc2S1(=O)=O ZINC000049793491 562684901 /nfs/dbraw/zinc/68/49/01/562684901.db2.gz JZCAUMQZTKBKSA-NDEPHWFRSA-N -1 0 527.602 5.292 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)[O-] ZINC000049799640 562685432 /nfs/dbraw/zinc/68/54/32/562685432.db2.gz OFTWMOQKNGINIU-UHFFFAOYSA-N -1 0 583.709 9.162 1 0 KKAFRM C[C@H](NC(=O)CCCNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000049823202 562687089 /nfs/dbraw/zinc/68/70/89/562687089.db2.gz REJPVOUHZHBWSG-OTBYGRCYSA-N -1 0 628.895 5.606 1 0 KKAFRM CC(C)=CCc1c2[nH]c3c(c2cc2c1[C@@H](O)[C@H]1C2=CC(C)(C)OC1(C)C)C[C@@H]1CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)[O-])[C@@H](O)CC[C@]2(C)[C@@]31C ZINC000049833336 562687702 /nfs/dbraw/zinc/68/77/02/562687702.db2.gz KYJMIMWHTSJVQB-GQQOVJSASA-N -1 0 667.931 8.905 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(OS(=O)(=O)[O-])ccc1O ZINC000049833418 562687779 /nfs/dbraw/zinc/68/77/79/562687779.db2.gz FVMGWFHZSIUXPU-PYHSYOTJSA-N -1 0 667.009 12.442 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)c6ccc(O)cc6)[C@H](OC(=O)c6ccc(O)cc6)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000049833565 562687874 /nfs/dbraw/zinc/68/78/74/562687874.db2.gz XPEVLOSUULAUFH-CLZAJMGVSA-N -1 0 712.924 9.345 1 0 KKAFRM CCCC[C@@]1(OC(=O)CCC(=O)[O-])CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C=C/C(=O)OC ZINC000049871992 562689721 /nfs/dbraw/zinc/68/97/21/562689721.db2.gz GYHWQKQSLPAOCN-BNOLDHSHSA-N -1 0 674.828 5.918 1 0 KKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc(Br)ccc1Br ZINC000049878557 562690650 /nfs/dbraw/zinc/69/06/50/562690650.db2.gz LTGLGEYAKPBUMQ-UHFFFAOYSA-N -1 0 528.820 5.695 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000049889522 562692172 /nfs/dbraw/zinc/69/21/72/562692172.db2.gz VAJNXYYJUABAGJ-SQXVXACQSA-N -1 0 554.856 9.077 1 0 KKAFRM CC(=O)O[C@H]1O[C@@H](C(C)(C)O)CC[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)[O-])[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000049898314 562692402 /nfs/dbraw/zinc/69/24/02/562692402.db2.gz JBMORHZTYFJYCP-BVHPACAWSA-N -1 0 718.925 6.260 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccc3ccccc3c2)cc1 ZINC000049898787 562692854 /nfs/dbraw/zinc/69/28/54/562692854.db2.gz XVJPIAMQANSGCO-UHFFFAOYSA-N -1 0 729.298 9.067 1 0 KKAFRM Cc1ccn(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)n1 ZINC000049899463 562693158 /nfs/dbraw/zinc/69/31/58/562693158.db2.gz DYTJJECVMHECFM-UHFFFAOYSA-N -1 0 697.257 6.919 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4ccc(F)c(Cl)c4)c(F)s3)cc2Cl)CC1 ZINC000053297407 562697428 /nfs/dbraw/zinc/69/74/28/562697428.db2.gz VHSHOIKJTWHSIR-UHFFFAOYSA-N -1 0 513.353 5.343 1 0 KKAFRM COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053298464 562697512 /nfs/dbraw/zinc/69/75/12/562697512.db2.gz QGTHLBYAPMYGJC-CFRMEGHHSA-N -1 0 537.977 5.545 1 0 KKAFRM COc1cccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)c1 ZINC000053298462 562697528 /nfs/dbraw/zinc/69/75/28/562697528.db2.gz RAGDLNAJROOVAL-OYKKKHCWSA-N -1 0 505.548 5.218 1 0 KKAFRM CCc1sc(NC(=O)c2cnc(N3CCC(C(=O)[O-])CC3)c(Cl)c2)nc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000053314015 562697669 /nfs/dbraw/zinc/69/76/69/562697669.db2.gz NLJGONGPOFDMMI-UHFFFAOYSA-N -1 0 556.969 6.132 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CCCC1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CCCC1 ZINC000058543596 562699029 /nfs/dbraw/zinc/69/90/29/562699029.db2.gz WPGZHDDOBZPXFA-VSGBNLITSA-N -1 0 681.535 7.258 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000058575516 562699612 /nfs/dbraw/zinc/69/96/12/562699612.db2.gz WBCOIWFOZDTSAF-FRXPANAUSA-N -1 0 635.500 5.732 1 0 KKAFRM CCN(Cc1ccc(C(=O)[O-])cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058598582 562700745 /nfs/dbraw/zinc/70/07/45/562700745.db2.gz MZTSHTRHGKMWIQ-UHFFFAOYSA-N -1 0 606.428 8.243 1 0 KKAFRM CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](OC(=O)c5cccc(C(=O)[O-])c5)C(C)(C)[C@@H]4CC[C@@]32C)C(=O)O1 ZINC000058614446 562701037 /nfs/dbraw/zinc/70/10/37/562701037.db2.gz TWGJHKORPWJXCY-OQHOXCJBSA-N -1 0 606.800 7.218 1 0 KKAFRM Cc1c(C)c2c(c(C)c1NC(=O)CCC(=O)[O-])CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000059086540 562701737 /nfs/dbraw/zinc/70/17/37/562701737.db2.gz UJFHUEFTCMRMOG-NJQVLOCASA-N -1 0 529.806 8.938 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(C2CCCCC2)=NO1 ZINC000059630423 562702080 /nfs/dbraw/zinc/70/20/80/562702080.db2.gz SWPKTYJPTFAMPD-IDISGSTGSA-N -1 0 546.451 5.473 1 0 KKAFRM CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(F)(F)C(=O)[O-])ccc3Cl)c(Cl)c2)Oc2ccccc21 ZINC000059648918 562702147 /nfs/dbraw/zinc/70/21/47/562702147.db2.gz AWGFVNBSZWQCDL-INIZCTEOSA-N -1 0 537.346 5.698 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC3)cc1F ZINC000059715668 562702173 /nfs/dbraw/zinc/70/21/73/562702173.db2.gz CZUVTRJMUREEPF-UHFFFAOYSA-N -1 0 523.369 5.225 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000059790663 562702291 /nfs/dbraw/zinc/70/22/91/562702291.db2.gz BBMULGJBVDDDNI-DFSAQOJESA-N -1 0 590.798 5.842 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000061947063 562703999 /nfs/dbraw/zinc/70/39/99/562703999.db2.gz VWKVMMOOFOSRAX-SVBPBHIXSA-N -1 0 524.082 6.834 3 0 KKAFRM O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@@](O)(CCN4CCOCC4)c4ccc(Cl)cc4)ccc3Cl)cc2)cc1 ZINC000064513152 562706297 /nfs/dbraw/zinc/70/62/97/562706297.db2.gz CYNBHDONBLRMMT-UUWRZZSWSA-N -1 0 606.546 6.938 1 0 KKAFRM O=S(=O)([N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccccc1Cl ZINC000064528435 562707347 /nfs/dbraw/zinc/70/73/47/562707347.db2.gz PNHUGZMLKGBKJF-UHFFFAOYSA-N -1 0 534.085 5.144 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@@H](O)c1ccc(F)cc1Cl ZINC000066066034 562709248 /nfs/dbraw/zinc/70/92/48/562709248.db2.gz OACXAXFUBQXTOY-QLXKLKPCSA-N -1 0 567.485 5.697 1 0 KKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc(C3CCCCC3)cc2)n1)c1cccc2ccccc21 ZINC000066074928 562709918 /nfs/dbraw/zinc/70/99/18/562709918.db2.gz CDQQRNAFXCNQJD-AREMUKBSSA-N -1 0 504.055 7.993 1 0 KKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)n1)c1cccc2ccccc21 ZINC000066074942 562709965 /nfs/dbraw/zinc/70/99/65/562709965.db2.gz QFMUDXVVQZURLV-MHZLTWQESA-N -1 0 512.034 7.480 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@@H](O)c1ccccc1F ZINC000066098726 562711017 /nfs/dbraw/zinc/71/10/17/562711017.db2.gz ZWQDVNCYHOOHFW-QYBDOPJKSA-N -1 0 533.040 5.043 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000066099920 562711183 /nfs/dbraw/zinc/71/11/83/562711183.db2.gz XYMQLACGAYNBRX-PNXYMTDXSA-N -1 0 565.754 7.359 1 0 in-vitro KKAFRM O=C([O-])Cn1cnc2c1nc(NCc1ccc(C3CCCCC3)cc1)nc2Oc1cccc(Br)c1 ZINC000066100038 562711188 /nfs/dbraw/zinc/71/11/88/562711188.db2.gz OPWNDQJPANBNFR-UHFFFAOYSA-N -1 0 536.430 6.126 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3ccc(Cl)c4ccccc34)nn2)cc1 ZINC000066101073 562711312 /nfs/dbraw/zinc/71/13/12/562711312.db2.gz SFPAQPMKUYAZGZ-UHFFFAOYSA-N -1 0 581.028 7.296 1 0 KKAFRM COC1(c2cccc(CS(=O)(=O)[N-]c3cc(Cl)ccc3OCc3ccccc3)c2)CCOCC1 ZINC000066102933 562711523 /nfs/dbraw/zinc/71/15/23/562711523.db2.gz CJNKIYYDXORXNP-UHFFFAOYSA-N -1 0 502.032 5.513 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1 ZINC000066104448 562711711 /nfs/dbraw/zinc/71/17/11/562711711.db2.gz XGQZZOMVBFUZNM-UHFFFAOYSA-N -1 0 515.532 5.749 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CC(=O)Nc3cccc4ccccc43)nn2)cc1 ZINC000066111782 562711844 /nfs/dbraw/zinc/71/18/44/562711844.db2.gz GSZQCUAPZOIXBJ-UHFFFAOYSA-N -1 0 518.529 5.862 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)NCc3ccccc3)nn2)cc1 ZINC000066112676 562712114 /nfs/dbraw/zinc/71/21/14/562712114.db2.gz PVRVABRFKYLIFH-UHFFFAOYSA-N -1 0 510.550 5.167 1 0 KKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc(Cc3ccccc3)cc2)n1)c1cccc2ccccc21 ZINC000066136568 562713225 /nfs/dbraw/zinc/71/32/25/562713225.db2.gz STGVYDJSBFWSES-MHZLTWQESA-N -1 0 512.034 7.536 1 0 KKAFRM CC(C)(Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)[O-] ZINC000071282289 562716793 /nfs/dbraw/zinc/71/67/93/562716793.db2.gz HOACFVYJBHHSBC-UHFFFAOYSA-N -1 0 515.034 7.830 1 0 in-vitro KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(F)c1Cl ZINC000071317044 562718111 /nfs/dbraw/zinc/71/81/11/562718111.db2.gz JCKONFFWFPEJAV-QGZVFWFLSA-N -1 0 554.467 6.955 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](CCC)C(=O)[O-])c(C)c1C ZINC000071317827 562718292 /nfs/dbraw/zinc/71/82/92/562718292.db2.gz TVYFEFQAQHPRJD-MUUNZHRXSA-N -1 0 558.140 7.560 1 0 KKAFRM CCCCN(c1ccc(C)c(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071318519 562718528 /nfs/dbraw/zinc/71/85/28/562718528.db2.gz ZNDDRAUEVHSTJF-NRFANRHFSA-N -1 0 530.086 6.780 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1OC(F)(F)F)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071329639 562718999 /nfs/dbraw/zinc/71/89/99/562718999.db2.gz OQVWOPQOCVCGSW-LJQANCHMSA-N -1 0 600.055 7.370 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCCC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071331123 562719280 /nfs/dbraw/zinc/71/92/80/562719280.db2.gz GULJVNUOLHJUCV-HMMYKYKNSA-N -1 0 604.751 7.457 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000071333831 562719496 /nfs/dbraw/zinc/71/94/96/562719496.db2.gz VSJDAAGZIMPTIO-YJZMMDRZSA-N -1 0 515.741 6.724 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccccc1Cl ZINC000071335408 562719663 /nfs/dbraw/zinc/71/96/63/562719663.db2.gz KJXOHSJBZUVFOP-HMMYKYKNSA-N -1 0 598.143 7.791 1 0 KKAFRM O=C([O-])CN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071416542 562720205 /nfs/dbraw/zinc/72/02/05/562720205.db2.gz YSGIOKQJNISPCR-UKILVPOCSA-N -1 0 594.263 5.842 1 0 KKAFRM CCOC(=O)c1c(C)oc2cc(OCC)c(OCc3oc4cc(OCC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc21 ZINC000072104796 562720628 /nfs/dbraw/zinc/72/06/28/562720628.db2.gz MADBVDLHRAAGCA-UHFFFAOYSA-N -1 0 606.602 5.399 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(F)ccc2n1C(=O)c1cc(C)c(OC[C@@H]2CN(C)c3ccccc3O2)cc1C ZINC000072111447 562721953 /nfs/dbraw/zinc/72/19/53/562721953.db2.gz WADCAGDHUSSNBY-NRFANRHFSA-N -1 0 516.569 5.297 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)scc3C(=O)[O-])cc1 ZINC000072122925 562724624 /nfs/dbraw/zinc/72/46/24/562724624.db2.gz UOKYTFQFOMGREX-UHFFFAOYSA-N -1 0 538.452 8.931 1 0 in-vitro KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3[nH]c(C(=O)[O-])cc3c2)cc1 ZINC000072125913 562725219 /nfs/dbraw/zinc/72/52/19/562725219.db2.gz RYEIPXVNZXWZFN-UHFFFAOYSA-N -1 0 521.400 8.197 1 0 in-vitro KKAFRM CC(=O)c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2COc2ccc(-c3cc(C=C(C)C(=O)[O-])nn3C3CCCCC3)cc2)s1 ZINC000072131637 562726684 /nfs/dbraw/zinc/72/66/84/562726684.db2.gz NMKXJOLSFGIQDB-HIXSDJFHSA-N -1 0 653.801 7.526 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@](O)(CCN4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1 ZINC000072147670 562729798 /nfs/dbraw/zinc/72/97/98/562729798.db2.gz BLSOYCQPNQMTPH-UMSFTDKQSA-N -1 0 650.997 7.047 1 0 KKAFRM CC1(C)CC[C@]2(COC(=O)CCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000072173203 562730863 /nfs/dbraw/zinc/73/08/63/562730863.db2.gz SGQQOVQNFRSFEL-PLRBHBQHSA-N -1 0 564.811 7.633 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(-c7cc(F)cc(F)c7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000072173257 562730882 /nfs/dbraw/zinc/73/08/82/562730882.db2.gz NRDRFWMFKVELNA-CZBYLUSZSA-N -1 0 590.799 9.051 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)N[C@@H](CO)C(=O)[O-])CC[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]2[C@H]1C ZINC000072176190 562731534 /nfs/dbraw/zinc/73/15/34/562731534.db2.gz XEKVAWKHTPZSKX-SZWRONIPSA-N -1 0 543.789 5.567 1 0 KKAFRM CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc([N-]S(=O)(=O)c5ccccc5F)c4)n3)cn2)CC1 ZINC000072177102 562731742 /nfs/dbraw/zinc/73/17/42/562731742.db2.gz CIIUGLSRFAGNDX-UHFFFAOYSA-N -1 0 672.812 6.138 1 0 KKAFRM CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)[O-])CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C ZINC000072180656 562732578 /nfs/dbraw/zinc/73/25/78/562732578.db2.gz RMNPKMCCZFVCHZ-KWJFKFLISA-N -1 0 556.828 8.210 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NC(=O)CCc2csc(SC)n2)cc1-c1ccccc1C)C(=O)[O-] ZINC000072180809 562732596 /nfs/dbraw/zinc/73/25/96/562732596.db2.gz OPTILOSHMCXMAF-QFIPXVFZSA-N -1 0 543.736 5.348 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCn3cc(CC(=O)[O-])cn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000072316225 562733052 /nfs/dbraw/zinc/73/30/52/562733052.db2.gz WPAURHCVDBQFQU-ZEQKJWHPSA-N -1 0 507.974 5.223 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(F)cn3)cc2)nc1 ZINC000073165466 562734390 /nfs/dbraw/zinc/73/43/90/562734390.db2.gz RXIYTLYKWJVLSP-UHFFFAOYSA-N -1 0 611.783 8.717 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1ccccc1Cl ZINC000073166159 562734497 /nfs/dbraw/zinc/73/44/97/562734497.db2.gz VHGHPLQTOQCXDC-UHFFFAOYSA-N -1 0 535.946 6.820 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(C)(C)C)cc1 ZINC000073167018 562734552 /nfs/dbraw/zinc/73/45/52/562734552.db2.gz ASNLEFCYIJEHPP-XMMPIXPASA-N -1 0 573.133 7.628 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1cc(Cl)cc(Cl)c1 ZINC000073167372 562734562 /nfs/dbraw/zinc/73/45/62/562734562.db2.gz TYUSYDPHZJTEEU-UHFFFAOYSA-N -1 0 570.391 7.474 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccccn3)cc2)nc1 ZINC000073169139 562734847 /nfs/dbraw/zinc/73/48/47/562734847.db2.gz UGAVYVQBJKBLTG-UHFFFAOYSA-N -1 0 593.793 8.578 1 0 KKAFRM CCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000073195611 562734944 /nfs/dbraw/zinc/73/49/44/562734944.db2.gz JOUNALRTXWKBTD-QFIPXVFZSA-N -1 0 599.049 7.739 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073198487 562735797 /nfs/dbraw/zinc/73/57/97/562735797.db2.gz RIZLSQIVYHEYRR-UHFFFAOYSA-N -1 0 561.682 6.692 1 0 KKAFRM C[C@@H](Oc1cc(Cn2c(=O)n(-c3ccc(C(C)(C)C)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)[O-] ZINC000073199058 562735935 /nfs/dbraw/zinc/73/59/35/562735935.db2.gz OKAPTEQUUMALED-MRXNPFEDSA-N -1 0 546.973 6.662 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073199164 562735977 /nfs/dbraw/zinc/73/59/77/562735977.db2.gz PKDGXLSODONGNA-UHFFFAOYSA-N -1 0 547.655 6.649 1 0 KKAFRM CN(C)c1nc2c(c(Br)c(Br)c(Br)c2Br)n1CCCC(=O)[O-] ZINC000073199823 562736072 /nfs/dbraw/zinc/73/60/72/562736072.db2.gz ILHPOUBFADFYIT-UHFFFAOYSA-N -1 0 562.882 5.017 1 0 KKAFRM O=C([O-])c1ncn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000073200098 562736090 /nfs/dbraw/zinc/73/60/90/562736090.db2.gz UTZTVKAGKZQSOD-UHFFFAOYSA-N -1 0 516.768 6.362 1 0 KKAFRM CC(C)=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000073221647 562736356 /nfs/dbraw/zinc/73/63/56/562736356.db2.gz BRQVATMHNAEZBH-VHCYDNFWSA-N -1 0 506.643 5.914 1 0 KKAFRM CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1[N-]C(=O)c1nc(C)c(-c2ccc(F)cc2)s1 ZINC000073224603 562736678 /nfs/dbraw/zinc/73/66/78/562736678.db2.gz ZBLJDTBAHMXIQE-UHFFFAOYSA-N -1 0 524.574 5.449 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(C)cc3)ccc2c1 ZINC000073296076 562737680 /nfs/dbraw/zinc/73/76/80/562737680.db2.gz HMSLGOKXIPFSNC-JGCGQSQUSA-N -1 0 583.710 6.999 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)OC(C)(C)C)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000073313670 562737964 /nfs/dbraw/zinc/73/79/64/562737964.db2.gz SFMMSTLAKPKEMZ-MNNSJKJDSA-N -1 0 541.666 5.983 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000073369223 562738399 /nfs/dbraw/zinc/73/83/99/562738399.db2.gz RSKOPEQHBSFOLQ-ZYBFWAHWSA-N -1 0 568.795 7.060 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)nc1 ZINC000082138071 562739168 /nfs/dbraw/zinc/73/91/68/562739168.db2.gz VMGLVOXLDYLNMD-UHFFFAOYSA-N -1 0 661.790 9.597 1 0 KKAFRM CCC(=O)Nc1ccc(Oc2cc(CC(=O)[O-])ccc2OC)c(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000082157759 562740996 /nfs/dbraw/zinc/74/09/96/562740996.db2.gz FSNHKJDEBPJYLW-MRXNPFEDSA-N -1 0 510.974 5.608 1 0 KKAFRM CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000082158181 562741087 /nfs/dbraw/zinc/74/10/87/562741087.db2.gz MAPLMUQWPTXIID-APGCABBPSA-N -1 0 526.802 8.441 1 0 KKAFRM CCCCNC(=O)c1ccc(Oc2ccc(C3(C(=O)[O-])CCCC3)cc2OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000082164900 562741315 /nfs/dbraw/zinc/74/13/15/562741315.db2.gz MTOSOHXMCDMPRR-UHFFFAOYSA-N -1 0 635.566 7.021 1 0 KKAFRM O=C1CS[C@@]2(CC(/C=C/c3cccc(Br)c3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000082182139 562742099 /nfs/dbraw/zinc/74/20/99/562742099.db2.gz HCYBZDCNGQICFG-GIPLCNRYSA-N -1 0 627.567 6.019 1 0 KKAFRM CCCCOc1ccc([C@@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000082182130 562742106 /nfs/dbraw/zinc/74/21/06/562742106.db2.gz GSWWFVJGTBDHRO-PGUFJCEWSA-N -1 0 641.790 7.870 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(Cl)c(Cl)c3)ccc2c1 ZINC000082186044 562742369 /nfs/dbraw/zinc/74/23/69/562742369.db2.gz MQEWXLXNPFYGFW-WJOKGBTCSA-N -1 0 638.573 7.998 1 0 KKAFRM C[C@H](C[C@](O)(CC(=O)[O-])[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@H](CC[C@@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1 ZINC000084403322 562742990 /nfs/dbraw/zinc/74/29/90/562742990.db2.gz CPYFCYMXHGAZTF-KYHASGIBSA-N -1 0 516.719 5.295 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(c2cccc(C(=O)[O-])c2)c2cccc3ccccc32)c(Cl)c1 ZINC000084596227 562743654 /nfs/dbraw/zinc/74/36/54/562743654.db2.gz GQBGMZRPJHUKFY-UHFFFAOYSA-N -1 0 685.991 10.834 1 0 KKAFRM COc1ccc2c(c1)c(CC(=O)N[C@H](CC(=O)[O-])Cc1cccc3ccccc31)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000084603225 562744143 /nfs/dbraw/zinc/74/41/43/562744143.db2.gz GXJGFPZJFOLIFD-VWLOTQADSA-N -1 0 569.057 6.198 1 0 KKAFRM CC(C)=CCC1(CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C(=O)c2oc3cc4c(c(=O)c-3c([O-])c21)C=CC(C)(C)O4 ZINC000084617166 562744776 /nfs/dbraw/zinc/74/47/76/562744776.db2.gz JSDUZPVYJLXUCC-XIFFEERXSA-N -1 0 546.660 6.486 1 0 KKAFRM CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1Cl ZINC000084668740 562747783 /nfs/dbraw/zinc/74/77/83/562747783.db2.gz GMUWOYDXNLWCCN-NRFANRHFSA-N -1 0 649.936 5.421 1 0 KKAFRM Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)[O-])c(F)c2)c1 ZINC000084670175 562748188 /nfs/dbraw/zinc/74/81/88/562748188.db2.gz AFHOJMBCVQFAGV-UHFFFAOYSA-N -1 0 555.668 5.057 1 0 KKAFRM CCOc1cccc(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084671538 562748563 /nfs/dbraw/zinc/74/85/63/562748563.db2.gz KVHPURFOVCKSER-UHFFFAOYSA-N -1 0 503.639 6.827 1 0 KKAFRM CCc1c(CCCC(=O)[O-])cccc1-c1nsc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n1 ZINC000084689194 562749302 /nfs/dbraw/zinc/74/93/02/562749302.db2.gz GIXQRADFFICFAC-UHFFFAOYSA-N -1 0 505.562 5.697 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3ncsc3c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084690167 562749493 /nfs/dbraw/zinc/74/94/93/562749493.db2.gz NSHYVINYILHRSE-RRPNLBNLSA-N -1 0 654.763 5.237 1 0 KKAFRM CCCCc1nc2ccc(OC)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000084703809 562749814 /nfs/dbraw/zinc/74/98/14/562749814.db2.gz YKXROLRWINCJGF-UHFFFAOYSA-N -1 0 544.677 6.508 1 0 KKAFRM CN1CCCCCNC(=O)Cn2c3cc(ccc3c(C3CCCCC3)c2-c2ccccc2)C(=O)[N-]S1(=O)=O ZINC000084709348 562750297 /nfs/dbraw/zinc/75/02/97/562750297.db2.gz UITMBDBAZMQIJF-UHFFFAOYSA-N -1 0 536.698 5.137 1 0 KKAFRM COc1cccc([C@H]2O[C@@H](CC(=O)N3CCC(CC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084709747 562750364 /nfs/dbraw/zinc/75/03/64/562750364.db2.gz MSSQOQPKGAMUSY-LBNVMWSVSA-N -1 0 539.028 5.412 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CCCCCCCCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084709996 562750412 /nfs/dbraw/zinc/75/04/12/562750412.db2.gz BJYVJMKOCWAAOE-MGBGTMOVSA-N 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/nfs/dbraw/zinc/75/20/51/562752051.db2.gz CSRDNSVIWWKGCY-UHFFFAOYSA-N -1 0 651.729 8.769 1 0 KKAFRM O=C([O-])c1c2cc(OCc3cccc(I)c3)ccc2oc1-c1ccc2ccccc2c1 ZINC000084758256 562752555 /nfs/dbraw/zinc/75/25/55/562752555.db2.gz DPMKCNJMSZLPFV-UHFFFAOYSA-N -1 0 520.322 7.135 1 0 KKAFRM COc1cc(F)cc(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084759353 562752884 /nfs/dbraw/zinc/75/28/84/562752884.db2.gz VYHOEXOMORELMM-UHFFFAOYSA-N -1 0 507.602 6.576 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095093518 562753693 /nfs/dbraw/zinc/75/36/93/562753693.db2.gz NMHPWHZUZCXAIV-UHFFFAOYSA-N -1 0 574.464 6.939 1 0 KKAFRM COc1ccc2cc(-c3cc(C(F)(F)F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095087834 562753715 /nfs/dbraw/zinc/75/37/15/562753715.db2.gz UTUASVOOVXPILR-INIZCTEOSA-N -1 0 511.500 5.545 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@H]2NC(=O)c2cc3cc(O[P@@](=O)([O-])OCc4ccccc4)ccc3[nH]2)cc1 ZINC000095539590 562755163 /nfs/dbraw/zinc/75/51/63/562755163.db2.gz JUMCEANFVBLYLD-MJPWBCPGSA-N -1 0 826.868 8.321 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOc1ncc(Br)cn1 ZINC000095552080 562760559 /nfs/dbraw/zinc/76/05/59/562760559.db2.gz UTSKZBKTKROJBZ-UHFFFAOYSA-N -1 0 708.595 5.843 1 0 KKAFRM CC(=O)O[C@@H](CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000095557308 562762076 /nfs/dbraw/zinc/76/20/76/562762076.db2.gz JHTUFPXDGZSUCN-CONSDPRKSA-N -1 0 564.638 5.059 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)[O-])OC4(C)C)[C@H](O)[C@H]2C3=O ZINC000095558138 562762360 /nfs/dbraw/zinc/76/23/60/562762360.db2.gz LJUARHDVFLLQMF-CBLNDHTRSA-N -1 0 646.777 6.290 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)[O-])OC4(C)C)[C@@H](O)[C@@H]2C3=O ZINC000095558137 562762371 /nfs/dbraw/zinc/76/23/71/562762371.db2.gz 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O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cccc(OC(F)(F)F)c3c2)cc1 ZINC000095573794 562769745 /nfs/dbraw/zinc/76/97/45/562769745.db2.gz ZWXKNVRREHSLNN-UHFFFAOYSA-N -1 0 628.434 7.829 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)ccc21 ZINC000095573965 562769853 /nfs/dbraw/zinc/76/98/53/562769853.db2.gz ZFODSUZGPVZNRV-UHFFFAOYSA-N -1 0 577.685 6.235 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(C(F)(F)F)cn3)c4C3CCCC3)ccc21 ZINC000095574511 562770011 /nfs/dbraw/zinc/77/00/11/562770011.db2.gz ZRBBUMYAZPQOEL-UHFFFAOYSA-N -1 0 645.682 7.254 1 0 KKAFRM CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095574639 562770082 /nfs/dbraw/zinc/77/00/82/562770082.db2.gz ZEMLYWMOSZRCQL-UWSZBUKDSA-N -1 0 520.453 6.262 1 0 in-vitro KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccsc1 ZINC000095575043 562770198 /nfs/dbraw/zinc/77/01/98/562770198.db2.gz WCLHORDVZOPPIO-NTEUORMPSA-N -1 0 567.711 6.953 1 0 KKAFRM CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C(\C)C(=O)[O-])cc5)CCC4)cc3n2C)cs1 ZINC000095576367 562770608 /nfs/dbraw/zinc/77/06/08/562770608.db2.gz WTMOTYRLZXNXKA-LVZFUZTISA-N -1 0 639.778 6.697 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095577016 562770786 /nfs/dbraw/zinc/77/07/86/562770786.db2.gz LUBRRROXXSAUBB-DYTRJAOYSA-N -1 0 594.687 6.816 1 0 KKAFRM COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3[O-])[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000095577348 562770945 /nfs/dbraw/zinc/77/09/45/562770945.db2.gz SSBQAYWVYHYXCO-MUUNZHRXSA-N -1 0 512.993 6.625 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccoc1 ZINC000095577537 562771039 /nfs/dbraw/zinc/77/10/39/562771039.db2.gz UUVSXSJQXLGFCY-XNTDXEJSSA-N -1 0 565.670 6.875 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3nccs3)c4C3CCCC3)ccc21 ZINC000095577612 562771048 /nfs/dbraw/zinc/77/10/48/562771048.db2.gz MIUCVPKLWUVORJ-UHFFFAOYSA-N -1 0 583.714 6.296 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1cccc(N)n1 ZINC000095578584 562771315 /nfs/dbraw/zinc/77/13/15/562771315.db2.gz XEUWXOOLZBKMPN-QGOAFFKASA-N -1 0 565.674 5.725 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccoc1 ZINC000095578639 562771326 /nfs/dbraw/zinc/77/13/26/562771326.db2.gz WQNYJRIRCUZJJO-NTEUORMPSA-N -1 0 551.643 6.485 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1nccs1 ZINC000095578731 562771347 /nfs/dbraw/zinc/77/13/47/562771347.db2.gz QIEXYUJHXMPPKO-XNTDXEJSSA-N -1 0 582.726 6.739 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1csc(N)n1 ZINC000095579160 562771493 /nfs/dbraw/zinc/77/14/93/562771493.db2.gz QIBMLUZBHBDCNY-NTEUORMPSA-N -1 0 583.714 5.931 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)ccc21 ZINC000095579678 562771589 /nfs/dbraw/zinc/77/15/89/562771589.db2.gz KICQYRFACCXVAL-UHFFFAOYSA-N -1 0 578.673 5.630 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccsc3)c4C3CCCC3)ccc21 ZINC000095579716 562771630 /nfs/dbraw/zinc/77/16/30/562771630.db2.gz IHWQLIZKADAFGD-UHFFFAOYSA-N -1 0 582.726 6.901 1 0 KKAFRM CSCC[C@@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000095580779 562771900 /nfs/dbraw/zinc/77/19/00/562771900.db2.gz YYTBURSAOHOMHZ-FMLLIDMXSA-N -1 0 507.781 5.745 1 0 KKAFRM COc1ccc2c(c1)c(CC(=O)[N-]S(=O)(=O)c1ccc(Oc3ccccc3)cc1)cn2C(=O)c1ccc(Cl)cc1 ZINC000095580926 562772002 /nfs/dbraw/zinc/77/20/02/562772002.db2.gz MMSUCTBYYJKFDG-UHFFFAOYSA-N -1 0 575.042 5.832 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)c(F)c1 ZINC000095581835 562772303 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/nfs/dbraw/zinc/77/35/52/562773552.db2.gz BYHMGDMYCZHTQB-UHFFFAOYSA-N -1 0 579.462 6.090 1 0 KKAFRM CC(C)(C)n1ccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2Cl)n1 ZINC000095585356 562773560 /nfs/dbraw/zinc/77/35/60/562773560.db2.gz PBNCUPATJLDLMW-UHFFFAOYSA-N -1 0 525.002 6.286 1 0 KKAFRM Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2F)ccn1 ZINC000095585493 562773604 /nfs/dbraw/zinc/77/36/04/562773604.db2.gz RRQZBSXWUSJPPR-UHFFFAOYSA-N -1 0 529.472 5.072 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095585662 562773636 /nfs/dbraw/zinc/77/36/36/562773636.db2.gz JMILAUMIKSBJRV-UHFFFAOYSA-N -1 0 518.445 5.303 1 0 KKAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095585858 562773739 /nfs/dbraw/zinc/77/37/39/562773739.db2.gz JYEPKKMHGOQACE-LQJZCPKCSA-N -1 0 695.665 5.528 1 0 KKAFRM Cc1cc(C(F)(F)F)n(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000095587546 562774329 /nfs/dbraw/zinc/77/43/29/562774329.db2.gz UJSGTHFOHGFQMM-KRWDZBQOSA-N -1 0 527.326 5.112 1 0 KKAFRM Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c(=O)n1CC1CC1 ZINC000095587714 562774427 /nfs/dbraw/zinc/77/44/27/562774427.db2.gz MBRLFPYOAMWDIP-NRFANRHFSA-N -1 0 567.391 5.985 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)nc1 ZINC000095592712 562776010 /nfs/dbraw/zinc/77/60/10/562776010.db2.gz LQVOJQGWJNQZKF-UHFFFAOYSA-N -1 0 575.625 6.108 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(Cl)c5)n(-c5ccc(Br)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000095597543 562777236 /nfs/dbraw/zinc/77/72/36/562777236.db2.gz HYRCWVGATOLUSI-UHFFFAOYSA-N -1 0 710.029 6.753 1 0 KKAFRM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095598946 562777664 /nfs/dbraw/zinc/77/76/64/562777664.db2.gz MAFQTNOLKRXSIQ-KJMNMTOCSA-N -1 0 740.867 6.527 1 0 KKAFRM COc1ccc(C(=O)CCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000095601505 562779643 /nfs/dbraw/zinc/77/96/43/562779643.db2.gz QGIYLBVQZALCCL-UHFFFAOYSA-N -1 0 521.620 5.020 1 0 KKAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095604114 562780863 /nfs/dbraw/zinc/78/08/63/562780863.db2.gz KOGXUCMRWOSHRU-UVOQVYJZSA-N -1 0 753.841 6.070 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000095606081 562781888 /nfs/dbraw/zinc/78/18/88/562781888.db2.gz ZNUHZZWLQHJVGA-HDFUYHJRSA-N -1 0 802.197 5.832 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000095606096 562781931 /nfs/dbraw/zinc/78/19/31/562781931.db2.gz XZMZMXOSUQBBKE-DORXLWPQSA-N -1 0 768.600 7.486 1 0 KKAFRM CCC[C@H](NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095613556 562786389 /nfs/dbraw/zinc/78/63/89/562786389.db2.gz UAATUVIJOYTBES-ITAALJQASA-N -1 0 769.940 5.316 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)NCCOc6no[n+]([O-])c6S(=O)(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095614815 562786901 /nfs/dbraw/zinc/78/69/01/562786901.db2.gz DXGPTFVJHPAAOK-IWJPBDGBSA-N -1 0 824.050 7.214 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2ccc(Cl)c(Cl)c2)cc1 ZINC000095615092 562787089 /nfs/dbraw/zinc/78/70/89/562787089.db2.gz LZQCZPJJUJCHCV-UHFFFAOYSA-N -1 0 780.195 9.771 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2ccc(Cl)cc2Cl)cc1 ZINC000095615857 562787573 /nfs/dbraw/zinc/78/75/73/562787573.db2.gz POWCUYBWIVHQAS-UHFFFAOYSA-N -1 0 780.195 9.771 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCCCOc3cccc(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617286 562787940 /nfs/dbraw/zinc/78/79/40/562787940.db2.gz JKGKLGDIXALWFF-NPHQGNLKSA-N -1 0 793.826 5.790 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095872185 562790063 /nfs/dbraw/zinc/79/00/63/562790063.db2.gz GJMIUNMPQWYXNZ-OYKXOOMRSA-N -1 0 538.644 5.542 1 0 KKAFRM Cc1cc([C@@H](CC(C)C)Nc2ccc(C(=O)NCCC(=O)[O-])cn2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000096170572 562791144 /nfs/dbraw/zinc/79/11/44/562791144.db2.gz VCFANZYJCSHEGA-OAQYLSRUSA-N -1 0 517.552 5.307 1 0 KKAFRM Cc1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])c1 ZINC000096171987 562791217 /nfs/dbraw/zinc/79/12/17/562791217.db2.gz IWMUINPHRXSQCK-JJBSANDOSA-N -1 0 610.836 5.690 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2C=CCCC2)c2nc(C)nn21 ZINC000096178233 562792509 /nfs/dbraw/zinc/79/25/09/562792509.db2.gz HLQOHQQUMWIGJL-JOCHJYFZSA-N -1 0 522.609 5.034 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC(C)=NO3)CC2)c2ncnn21 ZINC000096178295 562792621 /nfs/dbraw/zinc/79/26/21/562792621.db2.gz LYLXXEAJJBHHSN-UHFFFAOYSA-N -1 0 579.661 5.095 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258550 562792878 /nfs/dbraw/zinc/79/28/78/562792878.db2.gz GHTKXZOHLJALNN-NDEPHWFRSA-N -1 0 705.633 7.205 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2cccc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(Cl)c1 ZINC000096269884 562793057 /nfs/dbraw/zinc/79/30/57/562793057.db2.gz XWTMRQLTATXZCG-XHCCPWGMSA-N -1 0 559.036 5.284 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccc3cccnc32)=NO1 ZINC000096271094 562793691 /nfs/dbraw/zinc/79/36/91/562793691.db2.gz DAXPHXLZKQMKFD-YUDQIZAISA-N -1 0 591.451 5.489 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccc(Cl)c2)=NO1 ZINC000096271105 562793692 /nfs/dbraw/zinc/79/36/92/562793692.db2.gz WCSXEZCEQCEWMN-KDYSTLNUSA-N -1 0 574.848 5.594 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)[C@]1(C)CCc2c(C)c(OCC(=O)[O-])c(C)c(C)c2O1 ZINC000096272097 562793969 /nfs/dbraw/zinc/79/39/69/562793969.db2.gz AVEDYHXFWITSAP-UMRYMTSMSA-N -1 0 512.687 7.121 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)[C@@]1(C)CCc2c(C)c(OCC(=O)[O-])c(C)c(C)c2O1 ZINC000096272096 562793978 /nfs/dbraw/zinc/79/39/78/562793978.db2.gz AVEDYHXFWITSAP-KXIGHMAJSA-N -1 0 512.687 7.121 1 0 KKAFRM O=C([O-])c1cc(Br)cc(Br)c1NC(=O)CSc1ccc(Br)cc1 ZINC000096283146 562794805 /nfs/dbraw/zinc/79/48/05/562794805.db2.gz HTDLKXUYRWUXNQ-UHFFFAOYSA-N -1 0 524.028 5.403 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cc(Cl)cc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283799 562794986 /nfs/dbraw/zinc/79/49/86/562794986.db2.gz GUTCFCHIXFDARD-HSZRJFAPSA-N -1 0 568.844 6.698 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(F)c(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283806 562795006 /nfs/dbraw/zinc/79/50/06/562795006.db2.gz UVQOTZGAWDPWLJ-QHCPKHFHSA-N -1 0 552.389 6.184 1 0 KKAFRM COC(=O)c1cccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000096284651 562795228 /nfs/dbraw/zinc/79/52/28/562795228.db2.gz YULIXDPPMZEYEQ-UHFFFAOYSA-N -1 0 684.811 6.657 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000096284656 562795231 /nfs/dbraw/zinc/79/52/31/562795231.db2.gz IWNJSYQENFNIQU-UHFFFAOYSA-N -1 0 716.725 7.566 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2N)cc1 ZINC000096284667 562795232 /nfs/dbraw/zinc/79/52/32/562795232.db2.gz KNJMDBXUWOFQLO-UHFFFAOYSA-N -1 0 641.790 6.453 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccc(Cl)c2)cc1 ZINC000096284684 562795268 /nfs/dbraw/zinc/79/52/68/562795268.db2.gz PIPJKDJHMBBLJP-UHFFFAOYSA-N -1 0 661.220 7.524 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2csc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)C3CCCCC3)n2)cc1 ZINC000096285498 562795770 /nfs/dbraw/zinc/79/57/70/562795770.db2.gz CUHDBPAZECNDLA-NDEPHWFRSA-N -1 0 583.710 6.653 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1[C@@H](O)[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)[O-])(C3=O)[C@]41O2 ZINC000096888315 562796656 /nfs/dbraw/zinc/79/66/56/562796656.db2.gz QYRPARUSUFWOPG-RXENERBQSA-N -1 0 648.793 6.320 1 0 KKAFRM CC(C)=CCC[C@]1(C(=O)[O-])C[C@]12[C@@H]1C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@]3(C)[C@@]1(C)C[C@@H]2OC(C)=O ZINC000096898930 562796749 /nfs/dbraw/zinc/79/67/49/562796749.db2.gz JLYJGBJQXWQKEA-VKSUCKMPSA-N -1 0 530.746 5.746 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000096904650 562798421 /nfs/dbraw/zinc/79/84/21/562798421.db2.gz RSKOPEQHBSFOLQ-PWJFPENRSA-N -1 0 568.795 7.060 1 0 KKAFRM CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@](C)(O)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000096905964 562798669 /nfs/dbraw/zinc/79/86/69/562798669.db2.gz OWEFAQRLXAATCI-QFROITSKSA-N -1 0 572.783 6.318 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000096909574 562799586 /nfs/dbraw/zinc/79/95/86/562799586.db2.gz LFPYUGPDTRKMNE-MUUNZHRXSA-N -1 0 525.620 6.698 1 0 KKAFRM CCCOc1ccc(NC(=S)Nc2ccccc2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916035 562801151 /nfs/dbraw/zinc/80/11/51/562801151.db2.gz YNNDKGLLXWRWSE-UHFFFAOYSA-N -1 0 501.450 5.921 1 0 KKAFRM O=C([O-])CCCC[N@H+](CCc1ccccc1OCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000096938315 562804455 /nfs/dbraw/zinc/80/44/55/562804455.db2.gz HDEJAHSNQQTKIN-UHFFFAOYSA-N -1 0 643.780 8.509 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000098082783 562805328 /nfs/dbraw/zinc/80/53/28/562805328.db2.gz YWQSEOGSFSYRKZ-VWLOTQADSA-N -1 0 546.472 7.610 1 0 KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 ZINC000100032082 562806204 /nfs/dbraw/zinc/80/62/04/562806204.db2.gz BAFQQVRHIFJZMP-FUFSCUOVSA-N -1 0 604.647 6.867 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3ccc(I)cc3)c1)C1CC1)CCCCCC2 ZINC000100764438 562807733 /nfs/dbraw/zinc/80/77/33/562807733.db2.gz KDCDFBRQEIKTIR-DEOSSOPVSA-N -1 0 605.494 5.952 1 0 KKAFRM COC(=O)[C@H](CC(=O)[O-])N(/C=C/Cc1cccc(Oc2ccccc2)c1)Cc1cccc(Oc2ccccc2)c1 ZINC000100863151 562808280 /nfs/dbraw/zinc/80/82/80/562808280.db2.gz WUOIZZSMIUIAQH-NHVJZSFJSA-N -1 0 537.612 6.846 1 0 KKAFRM O=C([O-])[C@H]1CC[C@@H](COc2ccccc2Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)CC1 ZINC000101208423 562809984 /nfs/dbraw/zinc/80/99/84/562809984.db2.gz AXSOGTWJBSDWJQ-WDYYSVFXSA-N -1 0 617.608 7.017 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](CNc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101205326 562809996 /nfs/dbraw/zinc/80/99/96/562809996.db2.gz DMEDNZSJTBCBCR-VSOCWTRISA-N -1 0 616.624 7.050 1 0 KKAFRM O=C([O-])[C@H]1CC[C@@H](Oc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101209324 562810001 /nfs/dbraw/zinc/81/00/01/562810001.db2.gz WBSXKVRTVMHGNY-GKWHILSKSA-N -1 0 603.581 6.770 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101428834 562810668 /nfs/dbraw/zinc/81/06/68/562810668.db2.gz XDCZRAVAUSOLBO-LJAQVGFWSA-N -1 0 596.605 7.324 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC(=O)[C@H]3CC[C@@H](COc4cccc(F)c4F)CC3)c(F)c21 ZINC000103025882 562814060 /nfs/dbraw/zinc/81/40/60/562814060.db2.gz BYTGLIHTYUSYCA-HDJSIYSDSA-N -1 0 520.479 5.100 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC(=O)[C@H]3CC[C@H](COc4c(C)cccc4C)CC3)c(F)c21 ZINC000103031458 562814134 /nfs/dbraw/zinc/81/41/34/562814134.db2.gz MLONMKXZQHZFDL-HDICACEKSA-N -1 0 512.553 5.439 1 0 KKAFRM O=C1CCC(c2ccc(Oc3ccccc3)cc2)=NN1c1ccc(S(=O)(=O)[N-]C(=S)NCc2ccccc2)cc1 ZINC000103208522 562816548 /nfs/dbraw/zinc/81/65/48/562816548.db2.gz 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/nfs/dbraw/zinc/84/07/67/562840767.db2.gz RCNHJRLJJWNIDV-UHFFFAOYSA-N -1 0 589.306 7.846 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)c(Cl)c2)cn1 ZINC000148378446 562841228 /nfs/dbraw/zinc/84/12/28/562841228.db2.gz HWDDZFQTZWPEND-UHFFFAOYSA-N -1 0 606.403 7.697 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000149276769 562842532 /nfs/dbraw/zinc/84/25/32/562842532.db2.gz UOXBWPOEKZEVKV-UHFFFAOYSA-N -1 0 553.873 7.797 1 0 KKAFRM COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)[O-])CC4)cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000149636131 562842760 /nfs/dbraw/zinc/84/27/60/562842760.db2.gz PCSBJXFXNFHEQS-XYFQYJLHSA-N -1 0 517.641 7.448 1 0 KKAFRM Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc5ccccc5c4O)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583424 562845657 /nfs/dbraw/zinc/84/56/57/562845657.db2.gz IYPDWGMLKGVZCL-QZOWHVBHSA-N -1 0 702.792 7.886 1 0 KKAFRM CCCCC(=O)Nc1ccc(Cl)c(-n2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)[N-]C(=O)c4cc(Cl)ccc4Cl)cc3F)c2=O)c1 ZINC000150590542 562846127 /nfs/dbraw/zinc/84/61/27/562846127.db2.gz LFCPEBOSWGHACP-UHFFFAOYSA-N -1 0 773.114 8.049 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)c6ccccc6C(=O)[O-])[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150596376 562846707 /nfs/dbraw/zinc/84/67/07/562846707.db2.gz YWVNOCUHVZUZLU-QBTBRPHGSA-N -1 0 710.952 9.426 1 0 KKAFRM C=Cc1cc([C@H](NC(C)=O)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599573 562847025 /nfs/dbraw/zinc/84/70/25/562847025.db2.gz WUDMJYAXIHUHMG-XIFFEERXSA-N -1 0 745.736 6.541 1 0 KKAFRM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCc1ccccc1 ZINC000150603054 562847338 /nfs/dbraw/zinc/84/73/38/562847338.db2.gz XMTRXGNILNKCCU-LJAQVGFWSA-N -1 0 723.578 7.108 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[O-])C[C@H]5/C=C\CCCCCS(=O)(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150605788 562847777 /nfs/dbraw/zinc/84/77/77/562847777.db2.gz PENWINXPGQZNHM-LRNSWFJBSA-N -1 0 668.838 5.040 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000150606308 562847906 /nfs/dbraw/zinc/84/79/06/562847906.db2.gz HYMYJKWKCHLWHN-VVDAQURXSA-N -1 0 684.958 9.986 1 0 KKAFRM CC(=O)Oc1ccc(/C=C/C(=O)N(SC(F)(F)F)c2cccc3c2cccc3S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1OC(C)=O ZINC000150613625 562848722 /nfs/dbraw/zinc/84/87/22/562848722.db2.gz AINFPJWQKKSERC-MHWRWJLKSA-N -1 0 776.711 6.999 1 0 KKAFRM CS(=O)(=O)[N-]C(=O)c1ccc([C@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000163876499 562849426 /nfs/dbraw/zinc/84/94/26/562849426.db2.gz RQKFFSAFDLENHQ-YADHBBJMSA-N -1 0 631.965 7.719 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@H](Oc3ccc(C(C)(C)O)cc3)CC2)c2ncnn21 ZINC000163890214 562849464 /nfs/dbraw/zinc/84/94/64/562849464.db2.gz UQLHICCAXCPNNV-KWQFAZJVSA-N -1 0 660.775 6.235 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165403660 562850204 /nfs/dbraw/zinc/85/02/04/562850204.db2.gz NKZIGDBEYMWKSI-XTXPBWAXSA-N -1 0 768.981 5.528 1 0 KKAFRM O=C([O-])Cc1c(-c2ccccc2)nn(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1-c1ccccc1 ZINC000168903120 562851567 /nfs/dbraw/zinc/85/15/67/562851567.db2.gz MUZHEVDXUPYOHW-UHFFFAOYSA-N -1 0 555.556 7.164 1 0 KKAFRM CCCc1nn(Cc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3C)cc2)c(C(C)C)c1CC(=O)[O-] ZINC000168897129 562851569 /nfs/dbraw/zinc/85/15/69/562851569.db2.gz PATBJKGYAIQASN-UHFFFAOYSA-N -1 0 501.549 6.214 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000168921143 562851601 /nfs/dbraw/zinc/85/16/01/562851601.db2.gz IQKKTWADEWOLLQ-AREMUKBSSA-N -1 0 543.982 5.799 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@]23CC[C@@]4(C(=O)[O-])CC[C@H](C)[C@H](C)[C@@H]4C2=CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O ZINC000169301086 562852870 /nfs/dbraw/zinc/85/28/70/562852870.db2.gz BRRFDRKIGYRDOD-QWCNWQNMSA-N -1 0 648.881 8.040 1 0 KKAFRM CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@](C)(CO)[C@H]1O ZINC000169301506 562852938 /nfs/dbraw/zinc/85/29/38/562852938.db2.gz YNWZQUOHFYSDGT-WBSFYNBKSA-N -1 0 530.746 5.604 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc2ccc(S(=O)(=O)NCCSc3ccccc3)cc2c1)c1cccc2ccccc21 ZINC000169304153 562853304 /nfs/dbraw/zinc/85/33/04/562853304.db2.gz HMTUYUMLPINLOC-UHFFFAOYSA-N -1 0 576.721 5.182 3 0 KKAFRM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c3ccccc3n2)cc1C ZINC000169304971 562853382 /nfs/dbraw/zinc/85/33/82/562853382.db2.gz GYWAGYSOIJJPIU-UHFFFAOYSA-N -1 0 508.603 5.967 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4nnnn4C4CCCCC4)c4ccc(C(C)C)cc4)CC3)cc21 ZINC000169308574 562854134 /nfs/dbraw/zinc/85/41/34/562854134.db2.gz DIGRSGYHLQNWTG-SSEXGKCCSA-N -1 0 601.727 5.385 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4nnnn4C4CCCCC4)c4ccncc4)CC3)c(F)cc2c1=O ZINC000169308619 562854152 /nfs/dbraw/zinc/85/41/52/562854152.db2.gz APQZEYZRIOPGST-WJOKGBTCSA-N -1 0 690.702 5.704 1 0 KKAFRM CC(C)(C)n1nnnc1[C@H](c1cccc2ccccc21)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308612 562854157 /nfs/dbraw/zinc/85/41/57/562854157.db2.gz YGFPSGRIQMHIIR-XIFFEERXSA-N -1 0 713.736 6.712 1 0 KKAFRM CC(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308599 562854163 /nfs/dbraw/zinc/85/41/63/562854163.db2.gz CVRGHQDLYQMBEP-JGCGQSQUSA-N -1 0 705.757 6.682 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2cnc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309647 562854437 /nfs/dbraw/zinc/85/44/37/562854437.db2.gz ZUQXBAOZHMDZPP-SQBYSBBASA-N -1 0 658.648 6.780 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(=O)[O-])cc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309650 562854441 /nfs/dbraw/zinc/85/44/41/562854441.db2.gz NCCRYPWLIXANJL-WLDYPGBFSA-N -1 0 656.672 7.990 1 0 KKAFRM C[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169310587 562854837 /nfs/dbraw/zinc/85/48/37/562854837.db2.gz IYEJXDBLROXAKV-REQZEPKWSA-N -1 0 586.560 6.393 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C ZINC000169312984 562855569 /nfs/dbraw/zinc/85/55/69/562855569.db2.gz JXEGEOADVWSIAV-OAQYLSRUSA-N -1 0 556.498 5.372 1 0 KKAFRM O=C1CCc2ccc(O)c(c2)Oc2c(Br)cc(cc2Br)CCC(=O)NCCc2cc(Br)c([O-])c(c2)Oc2c(Br)cc(cc2Br)CCN1 ZINC000169325362 562857585 /nfs/dbraw/zinc/85/75/85/562857585.db2.gz FPSQCNJOOSLMGF-UHFFFAOYSA-N -1 0 961.134 9.391 1 0 KKAFRM Cc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000169334388 562859493 /nfs/dbraw/zinc/85/94/93/562859493.db2.gz WTDCITYAOVFRGK-HKBQPEDESA-N -1 0 583.783 5.770 1 0 KKAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOc4cc(O)c5c(c4)O[C@H](c4ccc(O)cc4)CC5=O)CC3)c(F)cc2c1=O ZINC000169337453 562860014 /nfs/dbraw/zinc/86/00/14/562860014.db2.gz RKBKVHQDHWOCGX-XIFFEERXSA-N -1 0 683.664 5.286 1 0 KKAFRM C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)N1CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000169337478 562860108 /nfs/dbraw/zinc/86/01/08/562860108.db2.gz HGCCTGBLJZCTHL-OALUTQOASA-N -1 0 672.685 5.352 1 0 KKAFRM Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2CC(=O)[O-])c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000169341165 562860761 /nfs/dbraw/zinc/86/07/61/562860761.db2.gz LYDIMQVMGYYWRJ-UHFFFAOYSA-N -1 0 647.736 5.652 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000169341402 562860851 /nfs/dbraw/zinc/86/08/51/562860851.db2.gz FXBRKPQSDRLSKQ-UHFFFAOYSA-N -1 0 528.453 5.934 1 0 KKAFRM COc1ccc(-c2cc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc32)c(OC)c1 ZINC000169352852 562863288 /nfs/dbraw/zinc/86/32/88/562863288.db2.gz HFQAFXRLXRULMH-MHZLTWQESA-N -1 0 549.027 5.521 1 0 KKAFRM O=C([O-])[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)n(-c2ccnc3cc(Cl)ccc32)n1)C1CCCCC1 ZINC000169352854 562863290 /nfs/dbraw/zinc/86/32/90/562863290.db2.gz XJSGFYNGKBZELF-VWLOTQADSA-N -1 0 524.955 5.782 1 0 KKAFRM COc1ncc(CC(=O)[O-])cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705624 562869522 /nfs/dbraw/zinc/86/95/22/562869522.db2.gz NDWNTOUUHSIIPV-DEOSSOPVSA-N -1 0 569.420 6.357 1 0 KKAFRM COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1-c1ccc(N(C)C)nc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709072 562870359 /nfs/dbraw/zinc/87/03/59/562870359.db2.gz GIBCYNOMGAIMAA-ALKXEMMNSA-N -1 0 697.632 8.707 1 0 KKAFRM CCCCCc1ccc(CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C[Si]2(C)CCCCC2)C(=O)[O-])cc1 ZINC000195407329 562871779 /nfs/dbraw/zinc/87/17/79/562871779.db2.gz BJFLBVGFOJJMRR-BOALQFNTSA-N -1 0 729.991 6.050 1 0 KKAFRM COc1cc(C(F)(F)F)ccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000199475901 562872992 /nfs/dbraw/zinc/87/29/92/562872992.db2.gz GKALYOWBMYAKNE-NRFANRHFSA-N -1 0 600.637 8.190 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)[O-])cc1 ZINC000200626157 562873387 /nfs/dbraw/zinc/87/33/87/562873387.db2.gz ABIFPJDABNXEMK-GMAHTHKFSA-N -1 0 552.553 5.460 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2nccc(-c3ccc(Cl)cc3)n2n1 ZINC000202312801 562873631 /nfs/dbraw/zinc/87/36/31/562873631.db2.gz YGKQFOUTOULEKA-RUZDIDTESA-N -1 0 526.980 5.054 1 0 KKAFRM Nc1c2cc(-c3ccc(Cl)cc3)ccc2oc1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202318351 562873664 /nfs/dbraw/zinc/87/36/64/562873664.db2.gz OVKUONYLCDJZGD-SANMLTNESA-N -1 0 541.003 6.340 1 0 KKAFRM CN(C(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202320816 562873682 /nfs/dbraw/zinc/87/36/82/562873682.db2.gz DUIKCIKEEZIOAG-MUUNZHRXSA-N -1 0 540.019 6.002 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccccc3Cl)cc2C1 ZINC000202319552 562873684 /nfs/dbraw/zinc/87/36/84/562873684.db2.gz HSWVRFKIKHFHLW-WJOKGBTCSA-N -1 0 529.995 6.006 1 0 KKAFRM O=C([O-])CN(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202319976 562873691 /nfs/dbraw/zinc/87/36/91/562873691.db2.gz HVYVUZHMDNAYJX-UHFFFAOYSA-N -1 0 543.982 6.100 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1 ZINC000202320597 562873696 /nfs/dbraw/zinc/87/36/96/562873696.db2.gz RJKOUWKUQCNQLF-SANMLTNESA-N -1 0 525.992 5.659 1 0 KKAFRM Cc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c2ccccc12 ZINC000203666939 562874046 /nfs/dbraw/zinc/87/40/46/562874046.db2.gz AAENMKAJIMWPPB-UHFFFAOYSA-N -1 0 530.524 5.844 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(c1)OCC2(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203666924 562874065 /nfs/dbraw/zinc/87/40/65/562874065.db2.gz GVOVGKUDPJTPBF-UHFFFAOYSA-N -1 0 502.592 5.307 1 0 KKAFRM CO[C@@](C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000203668135 562874075 /nfs/dbraw/zinc/87/40/75/562874075.db2.gz PEWGGUSEAWMCQM-MHZLTWQESA-N -1 0 558.578 6.061 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)C3CC3)c(Cl)c2)c2ncc3ccccc3c2C(F)(F)F)cc1 ZINC000203670393 562874076 /nfs/dbraw/zinc/87/40/76/562874076.db2.gz FFOJCNQKILAZRM-UHFFFAOYSA-N -1 0 610.988 7.503 1 0 KKAFRM Cc1c2ccccc2c(N2CCCC2)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203772386 562874155 /nfs/dbraw/zinc/87/41/55/562874155.db2.gz MXLHREANOHEVKS-UHFFFAOYSA-N -1 0 585.604 6.136 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(-c2ccccc2)nc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204348807 562874430 /nfs/dbraw/zinc/87/44/30/562874430.db2.gz HGOVDQWBXKTSIY-UHFFFAOYSA-N -1 0 509.587 5.699 1 0 KKAFRM CCOc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])c(Cl)c1 ZINC000204964767 562874623 /nfs/dbraw/zinc/87/46/23/562874623.db2.gz BSIUOGGAGSEQCG-UHFFFAOYSA-N -1 0 504.822 8.201 1 0 KKAFRM CC(=O)N1CCC(NC(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)CC1 ZINC000204936262 562874626 /nfs/dbraw/zinc/87/46/26/562874626.db2.gz ZYCNOKBGTDFHEK-UHFFFAOYSA-N -1 0 594.520 6.890 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)N2CCOCC2)cc1 ZINC000205036806 562874807 /nfs/dbraw/zinc/87/48/07/562874807.db2.gz ADDPNMAHURUDHE-UHFFFAOYSA-N -1 0 539.440 6.622 1 0 KKAFRM Cc1noc(C2CC2)c1Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)[O-])c2ccc(C(F)(F)F)nc12 ZINC000205685699 562875661 /nfs/dbraw/zinc/87/56/61/562875661.db2.gz VSNWUKCJBLFZGE-UHFFFAOYSA-N -1 0 523.433 6.590 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000205738634 562875851 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562876089 /nfs/dbraw/zinc/87/60/89/562876089.db2.gz RTUKAUUBNBEYRL-UHFFFAOYSA-N -1 0 502.614 6.910 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12 ZINC000205991404 562876106 /nfs/dbraw/zinc/87/61/06/562876106.db2.gz YPSJXCAJFZVHKL-GMAHTHKFSA-N -1 0 526.677 6.947 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12 ZINC000205995695 562876107 /nfs/dbraw/zinc/87/61/07/562876107.db2.gz ICXQTAGKMKUHRY-ICSRJNTNSA-N -1 0 549.465 6.412 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(C)c3)cc12 ZINC000205996025 562876111 /nfs/dbraw/zinc/87/61/11/562876111.db2.gz ADYIASWOTCCBEE-UHFFFAOYSA-N -1 0 502.614 6.910 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12 ZINC000206012859 562876191 /nfs/dbraw/zinc/87/61/91/562876191.db2.gz BOOVJQGXQIGBIS-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM 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DGZDRVOJXXXTHC-UHFFFAOYSA-N -1 0 530.547 5.729 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3cscn3)cc2)CCCC1 ZINC000219261200 562877995 /nfs/dbraw/zinc/87/79/95/562877995.db2.gz MLKDVVHKKNBNJD-UHFFFAOYSA-N -1 0 574.706 7.523 1 0 KKAFRM COc1ccc(-c2cccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1 ZINC000219536442 562878283 /nfs/dbraw/zinc/87/82/83/562878283.db2.gz YBQUQLRALHJAJM-UHFFFAOYSA-N -1 0 598.703 7.470 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3ccnc(Br)c3)cc12 ZINC000220439584 562878477 /nfs/dbraw/zinc/87/84/77/562878477.db2.gz KRCUARCKAHLZKP-HXUWFJFHSA-N -1 0 582.498 7.320 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)n3)cc12 ZINC000220435031 562878487 /nfs/dbraw/zinc/87/84/87/562878487.db2.gz QVYBBKLFLNUXHA-HXUWFJFHSA-N -1 0 582.498 7.320 1 0 KKAFRM Cc1nc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)no1 ZINC000220523156 562878542 /nfs/dbraw/zinc/87/85/42/562878542.db2.gz WOBUJFZVVSUNQN-IZLXSDGUSA-N -1 0 573.653 6.929 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)[C@@H]1C(=O)[O-] ZINC000220523357 562878557 /nfs/dbraw/zinc/87/85/57/562878557.db2.gz GBNWSPNNZXXHMJ-RRPNLBNLSA-N -1 0 556.460 6.799 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000220542550 562878561 /nfs/dbraw/zinc/87/85/61/562878561.db2.gz KQGWVBVSXWROQI-UHFFFAOYSA-N -1 0 519.450 5.004 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000221054072 562878715 /nfs/dbraw/zinc/87/87/15/562878715.db2.gz RDDCQDAYLBIWEF-UHFFFAOYSA-N -1 0 657.770 6.103 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(c2ccccc2-c2ccccc2Cl)CC1 ZINC000221276151 562878910 /nfs/dbraw/zinc/87/89/10/562878910.db2.gz KFOYPEOFKZLIJY-UHFFFAOYSA-N -1 0 604.153 6.541 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCOc2ccccc2)cc(C)c1Cl ZINC000222217249 562879761 /nfs/dbraw/zinc/87/97/61/562879761.db2.gz RJSZFIHODLTGBK-UHFFFAOYSA-N -1 0 541.069 5.588 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000224362568 562880435 /nfs/dbraw/zinc/88/04/35/562880435.db2.gz UXWAIEZVMYLCRX-UHFFFAOYSA-N -1 0 555.578 5.178 1 0 KKAFRM COc1cc(Oc2ccccc2F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225122583 562880715 /nfs/dbraw/zinc/88/07/15/562880715.db2.gz USUCFLXKMXQTEP-UHFFFAOYSA-N -1 0 502.527 5.433 1 0 KKAFRM COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225115749 562880719 /nfs/dbraw/zinc/88/07/19/562880719.db2.gz RAWFYRWWQUILIR-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000225103849 562880729 /nfs/dbraw/zinc/88/07/29/562880729.db2.gz VFHKNLPMWZUPFI-UHFFFAOYSA-N -1 0 510.547 5.508 1 0 KKAFRM CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)[O-])cc3)nn2-c2ccc(S(C)(=O)=O)cc2)cc(C(C)(C)C)c1 ZINC000225948789 562880820 /nfs/dbraw/zinc/88/08/20/562880820.db2.gz JPKKWLFMDKVIIR-UHFFFAOYSA-N -1 0 530.690 6.903 1 0 KKAFRM Cn1ccc(COc2cc3c(nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(Br)cc3F)c(F)c2)n1 ZINC000226029561 562880872 /nfs/dbraw/zinc/88/08/72/562880872.db2.gz OAPOHELUCVZDKS-UXHICEINSA-N -1 0 559.411 5.796 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)nc1 ZINC000226036877 562880875 /nfs/dbraw/zinc/88/08/75/562880875.db2.gz SKNKYLHAHZSKOG-IHLOFXLRSA-N -1 0 599.653 8.411 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)nc1 ZINC000226036919 562880889 /nfs/dbraw/zinc/88/08/89/562880889.db2.gz SKNKYLHAHZSKOG-LOYHVIPDSA-N -1 0 599.653 8.411 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1 ZINC000226100582 562880930 /nfs/dbraw/zinc/88/09/30/562880930.db2.gz FHTUAGGHAQBFFQ-IHLOFXLRSA-N -1 0 636.674 8.651 1 0 KKAFRM Cn1nccc1-c1cccc(Cn2c(CC(C)(C)C(=O)[O-])nc3cc(OCc4ccc5ccccc5n4)ccc32)c1 ZINC000226097826 562880955 /nfs/dbraw/zinc/88/09/55/562880955.db2.gz GYUWEGUZLXRQHL-UHFFFAOYSA-N -1 0 545.643 6.266 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)CCC(=O)Nc2ccc(-c3ccsc3)cc2)c1 ZINC000299826975 562884017 /nfs/dbraw/zinc/88/40/17/562884017.db2.gz IWFOBSFBSHXUEO-UHFFFAOYSA-N -1 0 665.509 6.940 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])c(O)c4)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299828833 562884639 /nfs/dbraw/zinc/88/46/39/562884639.db2.gz HJHSCTNWPKMQDA-NTCAYCPXSA-N -1 0 578.669 5.993 1 0 KKAFRM CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)C[C@@H](OC(=O)C=C(C)C)[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000299830002 562885045 /nfs/dbraw/zinc/88/50/45/562885045.db2.gz UOUZQDUMUUUGQT-WGXWOWJBSA-N -1 0 624.903 9.073 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CCCCCCC2)cc1 ZINC000299833053 562886053 /nfs/dbraw/zinc/88/60/53/562886053.db2.gz 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CC(C)(C)NC(=O)Nc1nc(Cl)c(CCc2ccccc2)n(CC(=O)Nc2ccccc2S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653847674 562915310 /nfs/dbraw/zinc/91/53/10/562915310.db2.gz WHGJSQOXMQJWCP-UHFFFAOYSA-N -1 0 733.169 5.378 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccco1 ZINC000653850803 562915533 /nfs/dbraw/zinc/91/55/33/562915533.db2.gz FREPUZMECPUPKW-QFIPXVFZSA-N -1 0 510.377 5.857 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N4CCC[C@@H](C(=O)[O-])C4)cc3)ccc2c1 ZINC000653853884 562915666 /nfs/dbraw/zinc/91/56/66/562915666.db2.gz DKSZNJPKMUGXLT-JIPXPUAJSA-N -1 0 628.556 8.232 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccc(CC(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000653854053 562915701 /nfs/dbraw/zinc/91/57/01/562915701.db2.gz XYCURDLPMJHTAV-UHFFFAOYSA-N -1 0 753.244 6.035 1 0 KKAFRM O=C([O-])c1ccc([C@H]2C[C@](O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1 ZINC000653864062 562916156 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KKAFRM CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@H]1Oc2c4ccc(c2O[C@@H]31)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1cccc(c1)O4 ZINC000095911591 565179640 /nfs/dbraw/zinc/17/96/40/565179640.db2.gz FPRZWOWZQKSYNV-IXMZKEGXSA-N -1 0 656.819 10.237 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095919305 565190064 /nfs/dbraw/zinc/19/00/64/565190064.db2.gz ZPBONBNZOMMCQS-QELODQGBSA-N -1 0 618.855 8.176 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777787 571825679 /nfs/dbraw/zinc/82/56/79/571825679.db2.gz KWLOAKAXMOYBRK-UBQCGNNRSA-N -1 0 618.855 8.174 1 0 endogenous,in-man KKAFRM C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100783647 574412451 /nfs/dbraw/zinc/41/24/51/574412451.db2.gz FEVUQLLYZLSRLB-GMIUFRCESA-N -1 0 618.855 8.030 1 0 endogenous,in-man KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1C1CCCC1 ZINC000028757954 581101672 /nfs/dbraw/zinc/10/16/72/581101672.db2.gz INPDHHOBVPLGRM-LDLOPFEMSA-N -1 0 592.735 10.090 1 0 KKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@H]3C(=CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)C[C@@]43C)[C@@H]2C1 ZINC000095098958 291913779 /nfs/dbraw/zinc/91/37/79/291913779.db2.gz PRXOLJQVOXIDBM-CLMBVCOVSA-N -1 0 604.828 7.784 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3CCCCC3)cc2)cc1 ZINC000049872357 551089189 /nfs/dbraw/zinc/08/91/89/551089189.db2.gz MRJZJRLNCMMRCZ-HHHXNRCGSA-N -1 0 584.500 6.455 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000101107127 551089386 /nfs/dbraw/zinc/08/93/86/551089386.db2.gz KNMAVSXEMFMOGI-WHSBFGAESA-N -1 0 589.655 6.916 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H]2CCCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000253656624 551089447 /nfs/dbraw/zinc/08/94/47/551089447.db2.gz VOSMSHCJSJBJOD-LSCGWGKXSA-N -1 0 603.682 7.306 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000073224729 551089684 /nfs/dbraw/zinc/08/96/84/551089684.db2.gz ZBMZGBGZOQFXEP-HXUWFJFHSA-N -1 0 528.453 5.591 1 0 KKAFRM CSc1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)c2ccc(C3CCCCC3)cc2)c1 ZINC000042922603 551089798 /nfs/dbraw/zinc/08/97/98/551089798.db2.gz SYWXLIGCTNVJDM-MUUNZHRXSA-N -1 0 561.704 5.870 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c2ccc(Cl)cc2)cc1 ZINC000003933424 551089964 /nfs/dbraw/zinc/08/99/64/551089964.db2.gz XEECUIDWJQYSIO-UHFFFAOYSA-N -1 0 575.996 6.905 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000042808905 551089965 /nfs/dbraw/zinc/08/99/65/551089965.db2.gz VDRBYJICTVBZID-UHFFFAOYSA-N -1 0 609.548 7.270 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000101092874 551090099 /nfs/dbraw/zinc/09/00/99/551090099.db2.gz KNMAVSXEMFMOGI-VIICAESSSA-N -1 0 589.655 6.916 1 0 KKAFRM CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)[O-])cc3)c3ccc(C4=CCCCC4)cc3)n2)cc1 ZINC000044308075 551090234 /nfs/dbraw/zinc/09/02/34/551090234.db2.gz WPHHXNCBGPKNOY-UHFFFAOYSA-N -1 0 593.793 8.608 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)ccc2c1 ZINC000095087839 551090556 /nfs/dbraw/zinc/09/05/56/551090556.db2.gz QLCNDVIJFAHAFO-GOSISDBHSA-N -1 0 642.461 8.390 1 0 KKAFRM C[C@@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000001533734 561676647 /nfs/dbraw/zinc/67/66/47/561676647.db2.gz DHBXJMYACXFGDK-URAOTHONSA-N -1 0 564.147 7.822 1 0 KKAFRM CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000001535492 561676732 /nfs/dbraw/zinc/67/67/32/561676732.db2.gz JWMHYNYBFJTPHE-UHFFFAOYSA-N -1 0 543.689 5.716 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3nc4ccccc4o3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535796 561676756 /nfs/dbraw/zinc/67/67/56/561676756.db2.gz VEKLFYHFQHKNEG-UHFFFAOYSA-N -1 0 577.146 8.607 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3cccc(O[C@H](C)C(=O)[O-])c3)c3cc(OC(F)(F)F)ccc32)cc1 ZINC000001551626 561677531 /nfs/dbraw/zinc/67/75/31/561677531.db2.gz OFCWBJAYEIROGZ-QGZVFWFLSA-N -1 0 527.495 5.988 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3cccc4ccccc43)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000002002088 561680333 /nfs/dbraw/zinc/68/03/33/561680333.db2.gz PASSPONCDCRFJR-UHFFFAOYSA-N -1 0 592.475 5.416 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc4ccccc4c3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000002002084 561680383 /nfs/dbraw/zinc/68/03/83/561680383.db2.gz FQOUOALOMZURHX-UHFFFAOYSA-N -1 0 592.475 5.416 1 0 KKAFRM CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2c1O[C@H](CCC(=O)[O-])CC2 ZINC000003779075 561682401 /nfs/dbraw/zinc/68/24/01/561682401.db2.gz YWYUQSGYKDEAMJ-QFIPXVFZSA-N -1 0 539.669 5.366 1 0 in-vivo KKAFRM CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000003817161 561682969 /nfs/dbraw/zinc/68/29/69/561682969.db2.gz BSYLKYWBLKSLBJ-RUZDIDTESA-N -1 0 512.027 6.957 1 0 KKAFRM O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCCc1ccc(-c2ccc(F)cc2)cc1 ZINC000003817168 561682978 /nfs/dbraw/zinc/68/29/78/561682978.db2.gz DZFFLJXATZFATL-MZBJOSPHSA-N -1 0 503.595 5.544 1 0 KKAFRM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)C2CC2)c(=O)o1 ZINC000003815648 561682993 /nfs/dbraw/zinc/68/29/93/561682993.db2.gz SEUIMKBYBKTVTL-LGGPFLRQSA-N -1 0 564.103 7.078 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2ccccc2Oc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000003832292 561683643 /nfs/dbraw/zinc/68/36/43/561683643.db2.gz DSCSQRAZCPUSAT-HHHXNRCGSA-N -1 0 523.589 6.243 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2ccc(C(=O)OCC)c2C)cc1 ZINC000003915487 561684739 /nfs/dbraw/zinc/68/47/39/561684739.db2.gz ANTFJULGFXKHGK-NDEPHWFRSA-N -1 0 605.135 6.264 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CCOCC2)cc1 ZINC000003916413 561685046 /nfs/dbraw/zinc/68/50/46/561685046.db2.gz NHUAVSQSHISCGF-UHFFFAOYSA-N -1 0 700.301 6.600 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3sc(Cl)cc3n2)c1 ZINC000003916941 561685172 /nfs/dbraw/zinc/68/51/72/561685172.db2.gz IGUFQFBMEPZVOT-LKXQCNMVSA-N -1 0 592.226 9.010 1 0 KKAFRM CC/C(=C/C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000003919570 561685613 /nfs/dbraw/zinc/68/56/13/561685613.db2.gz WLQPPALUSRVBEY-VHXPQNKSSA-N -1 0 594.658 8.233 1 0 KKAFRM O=C([O-])CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000003920898 561685792 /nfs/dbraw/zinc/68/57/92/561685792.db2.gz JTQWXNZXTRVPHN-LJAQVGFWSA-N -1 0 558.571 5.754 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(-c4ccccn4)s3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000003929222 561687022 /nfs/dbraw/zinc/68/70/22/561687022.db2.gz RCQLAAXIDVMGRW-UHFFFAOYSA-N -1 0 625.530 5.387 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(-c3cccs3)cn2)cc1 ZINC000003936233 561688681 /nfs/dbraw/zinc/68/86/81/561688681.db2.gz UYDULYFCBXEMSS-UHFFFAOYSA-N -1 0 601.754 6.527 1 0 KKAFRM O=C([O-])C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000003940351 561689213 /nfs/dbraw/zinc/68/92/13/561689213.db2.gz NGYIKLFRMYALTL-DEOSSOPVSA-N -1 0 522.626 6.592 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000003941680 561689441 /nfs/dbraw/zinc/68/94/41/561689441.db2.gz CTEQPKHTAICECH-HKBQPEDESA-N -1 0 538.713 6.805 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000003948288 561690097 /nfs/dbraw/zinc/69/00/97/561690097.db2.gz GVEQGAVYRVXEKL-UHFFFAOYSA-N -1 0 682.192 8.542 1 0 KKAFRM O=C([N-]S(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 ZINC000003974338 561691777 /nfs/dbraw/zinc/69/17/77/561691777.db2.gz FQRVOFIZNRSQSH-PMERELPUSA-N -1 0 588.729 7.695 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCC(O)CC2)nc1OCCOc1ncc(Br)cn1 ZINC000003986200 561692947 /nfs/dbraw/zinc/69/29/47/561692947.db2.gz RUOMKRIFLYCNKZ-UHFFFAOYSA-N -1 0 729.654 5.347 1 0 KKAFRM CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1 ZINC000003992541 561693566 /nfs/dbraw/zinc/69/35/66/561693566.db2.gz OKUQEVHPQXKPCP-HHHXNRCGSA-N -1 0 500.950 6.678 1 0 KKAFRM CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])c2I)c1 ZINC000003993418 561693575 /nfs/dbraw/zinc/69/35/75/561693575.db2.gz LOXFBQGQGUXLKH-PMERELPUSA-N -1 0 604.484 8.199 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175663 561694151 /nfs/dbraw/zinc/69/41/51/561694151.db2.gz BBMULGJBVDDDNI-GRIWNLPYSA-N -1 0 590.798 5.842 1 0 in-vitro KKAFRM CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[C@@H](OC(=O)CCC(=O)[O-])C2 ZINC000005706887 561697634 /nfs/dbraw/zinc/69/76/34/561697634.db2.gz HEBMVDJWWMFEBW-QGZVFWFLSA-N -1 0 598.480 5.064 1 0 KKAFRM O=C([O-])CCC/C=C/c1c(Cc2cccnc2)ccc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000005984422 561700715 /nfs/dbraw/zinc/70/07/15/561700715.db2.gz BKPPBKJHSDOPPX-JGZGHEEISA-N -1 0 525.070 5.430 1 0 KKAFRM CCOC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000012358138 561710268 /nfs/dbraw/zinc/71/02/68/561710268.db2.gz GHASVYGEVWTTBC-MHZLTWQESA-N -1 0 514.578 5.556 1 0 KKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(C(C)(C)CC(=O)[O-])cc1 ZINC000012358243 561710271 /nfs/dbraw/zinc/71/02/71/561710271.db2.gz KWQUTYNOCXTVHR-UHFFFAOYSA-N -1 0 501.623 7.438 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Nc2cscc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358115 561710306 /nfs/dbraw/zinc/71/03/06/561710306.db2.gz UCXZPJVOWPMUFS-VWLOTQADSA-N -1 0 541.629 5.743 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1OC ZINC000012358271 561710356 /nfs/dbraw/zinc/71/03/56/561710356.db2.gz BVMOBZXSLKAEMB-SANMLTNESA-N -1 0 507.608 6.312 1 0 KKAFRM CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358284 561710403 /nfs/dbraw/zinc/71/04/03/561710403.db2.gz RSGKRXYALRQDEK-AREMUKBSSA-N -1 0 507.608 6.312 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125823 561711447 /nfs/dbraw/zinc/71/14/47/561711447.db2.gz NHDLAUKETGEFCG-HSZRJFAPSA-N -1 0 515.404 5.178 3 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000013443155 561713010 /nfs/dbraw/zinc/71/30/10/561713010.db2.gz AIMHMYRVRZIHRX-DEOSSOPVSA-N -1 0 524.539 5.582 1 0 KKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3cncc(Br)c3)CCCC2)C(=O)[O-])cc1 ZINC000013445311 561713123 /nfs/dbraw/zinc/71/31/23/561713123.db2.gz CBFXJGDJKSJFLC-QHCPKHFHSA-N -1 0 523.427 5.144 1 0 KKAFRM CS(=O)(=O)[N-]C(=O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448496 561713208 /nfs/dbraw/zinc/71/32/08/561713208.db2.gz NXFGPWWWIHWWIG-UHFFFAOYSA-N -1 0 529.706 6.691 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)CC(F)(F)F)c1C ZINC000013492877 561716527 /nfs/dbraw/zinc/71/65/27/561716527.db2.gz CLLGOUWASYEJSI-UHFFFAOYSA-N -1 0 520.533 5.408 1 0 KKAFRM O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1SCCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000013525877 561717324 /nfs/dbraw/zinc/71/73/24/561717324.db2.gz IDKKXCKXGPPWMS-MZBJOSPHSA-N -1 0 520.054 5.567 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2-c2ccccc2)c1Cl ZINC000013560312 561719724 /nfs/dbraw/zinc/71/97/24/561719724.db2.gz TZBFPEXLKMGYEZ-UHFFFAOYSA-N -1 0 502.017 6.035 1 0 KKAFRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@](C)(Cc2ccc(Cl)cc2)Oc2ccc(C(C)C)cc2)cc1 ZINC000013604882 561721656 /nfs/dbraw/zinc/72/16/56/561721656.db2.gz CPUJZBWGONHGEO-SANMLTNESA-N -1 0 502.032 5.357 1 0 KKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2 ZINC000013727079 561725140 /nfs/dbraw/zinc/72/51/40/561725140.db2.gz DGPKZNLMBMAKAQ-VULFUBBASA-N -1 0 515.569 5.689 1 0 KKAFRM CCC[C@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742359 561726186 /nfs/dbraw/zinc/72/61/86/561726186.db2.gz KTVWYEKCXZWXEY-IKLCSLPZSA-N -1 0 510.634 7.316 1 0 KKAFRM CC(C)c1cc(C(C)C)c(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1 ZINC000013747529 561726995 /nfs/dbraw/zinc/72/69/95/561726995.db2.gz ACEGMLIKSSSULY-UHFFFAOYSA-N -1 0 545.786 8.839 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000013473414 561714361 /nfs/dbraw/zinc/71/43/61/561714361.db2.gz GXARYZYCSGAVQB-MUUNZHRXSA-N -1 0 504.535 5.632 1 0 KKAFRM O=C([O-])COc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1C1CCCC1 ZINC000013806775 561731499 /nfs/dbraw/zinc/73/14/99/561731499.db2.gz WFGFWZLACKQFFD-UHFFFAOYSA-N -1 0 502.610 8.479 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1/C=C/c1cccc(C(=O)[O-])c1 ZINC000013809557 561731786 /nfs/dbraw/zinc/73/17/86/561731786.db2.gz OVSBOEANUMPMRJ-ZHACJKMWSA-N -1 0 522.428 8.528 1 0 KKAFRM Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c([C@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)c1 ZINC000013824680 561732750 /nfs/dbraw/zinc/73/27/50/561732750.db2.gz HITATFSDGIRUCG-MVERNJQCSA-N -1 0 520.519 5.607 1 0 KKAFRM Nc1cccc([S@](=O)Cc2ccc(OCCCCCCCCc3ccccc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000013833526 561733856 /nfs/dbraw/zinc/73/38/56/561733856.db2.gz MIQSQBSTRUREAG-YRLUHINYSA-N -1 0 506.668 6.032 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3ccccc3)nc2/C=C/C(=O)[O-])cc1 ZINC000013833522 561733876 /nfs/dbraw/zinc/73/38/76/561733876.db2.gz TVIQQYHCTWKNSI-OIJROCFHSA-N -1 0 521.679 6.458 1 0 KKAFRM CCc1cc(-c2c(-c3ccc(F)cc3)nc(C(C)C)n2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])cc(CC)c1F ZINC000013833963 561733985 /nfs/dbraw/zinc/73/39/85/561733985.db2.gz SKSTXAOPQPZAAH-DLFHSDBESA-N -1 0 512.597 5.801 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1ccc(CC)cc1 ZINC000013834066 561734081 /nfs/dbraw/zinc/73/40/81/561734081.db2.gz NHGJGBPETSTFGA-WJOKGBTCSA-N -1 0 527.709 7.331 1 0 KKAFRM CC(C)c1nc2c(c(-c3ccccc3)nn2C)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013888043 561735481 /nfs/dbraw/zinc/73/54/81/561735481.db2.gz APYPOBSKGOMQCB-WRBWEIJPSA-N -1 0 503.574 5.165 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000014113117 561736545 /nfs/dbraw/zinc/73/65/45/561736545.db2.gz UTSFQPTVPZNJJH-FQLXRVMXSA-N -1 0 548.664 5.574 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)ccc1O ZINC000014114142 561736708 /nfs/dbraw/zinc/73/67/08/561736708.db2.gz HIFZHAYMNQEZKV-GAUGQWHVSA-N -1 0 648.881 8.185 1 0 KKAFRM COC(=O)c1cccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000014943413 561741690 /nfs/dbraw/zinc/74/16/90/561741690.db2.gz WBZOUMUPXZAPEF-VWLOTQADSA-N -1 0 537.634 5.134 1 0 KKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2n1Cc1ccccc1 ZINC000014209716 561737695 /nfs/dbraw/zinc/73/76/95/561737695.db2.gz PQISBVVPBYDLQW-UHFFFAOYSA-N -1 0 558.659 7.523 1 0 KKAFRM CC[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000014276229 561738918 /nfs/dbraw/zinc/73/89/18/561738918.db2.gz JCBSPQXPBDDSEZ-HEIROHQZSA-N -1 0 627.206 8.443 1 0 KKAFRM CC(C)C[C@H](C[P@@](=O)([O-])CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O ZINC000014286737 561739261 /nfs/dbraw/zinc/73/92/61/561739261.db2.gz UDNLRUDZHBXCON-OFSOJUDTSA-N -1 0 634.783 6.590 1 0 KKAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000014286717 561739265 /nfs/dbraw/zinc/73/92/65/561739265.db2.gz DFVJFZOOMUFFGW-CLJLJLNGSA-N -1 0 602.559 5.257 1 0 KKAFRM [O-]c1c(Br)c(Br)ccc1Oc1ccc(Br)cc1Br ZINC000014676781 561739839 /nfs/dbraw/zinc/73/98/39/561739839.db2.gz IANYKPWPWMDJDH-UHFFFAOYSA-N -1 0 501.794 6.235 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)C(O)=CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000014943035 561740645 /nfs/dbraw/zinc/74/06/45/561740645.db2.gz WMHOHPBUWDUOLE-SANMLTNESA-N -1 0 539.628 6.434 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4c(cccc4Br)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952817 561746406 /nfs/dbraw/zinc/74/64/06/561746406.db2.gz HJMJVDVHUUBDST-FPOVZHCZSA-N -1 0 582.505 5.222 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3cc(Cl)nc(Cl)c3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963528 561749055 /nfs/dbraw/zinc/74/90/55/561749055.db2.gz ZCPBULLKVOWIPZ-IBGZPJMESA-N -1 0 535.214 6.336 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2Br)ccc1O ZINC000014969101 561750485 /nfs/dbraw/zinc/75/04/85/561750485.db2.gz RTHIDWPAXBKXPV-QHCPKHFHSA-N -1 0 577.269 6.318 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cc2Br)cc(F)c1O ZINC000014969116 561750577 /nfs/dbraw/zinc/75/05/77/561750577.db2.gz MBDWXBYHNXYRAW-IBGZPJMESA-N -1 0 561.242 5.740 1 0 KKAFRM CCCc1cc(-c2nc(OC(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977209 561752331 /nfs/dbraw/zinc/75/23/31/561752331.db2.gz DABDLIFECGXQNC-NRFANRHFSA-N -1 0 509.668 6.902 1 0 KKAFRM CCCc1cc(-c2nc(OCC)c(C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977213 561752378 /nfs/dbraw/zinc/75/23/78/561752378.db2.gz XFEBTJLTAZGGPY-NRFANRHFSA-N -1 0 509.668 6.822 1 0 KKAFRM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000016051339 561753742 /nfs/dbraw/zinc/75/37/42/561753742.db2.gz HQEQUYKKMMKSSX-VQTJNVASSA-N -1 0 581.193 5.560 1 0 KKAFRM O=C([O-])[C@H]1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)C1 ZINC000018143936 561758189 /nfs/dbraw/zinc/75/81/89/561758189.db2.gz UTAAVKMLQCWSFT-SFHVURJKSA-N -1 0 516.541 5.991 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3ncc[nH]3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988016 561764347 /nfs/dbraw/zinc/76/43/47/561764347.db2.gz ODAJGMHJQWCVQY-OZNIXHKMSA-N -1 0 560.739 5.851 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025991309 561764795 /nfs/dbraw/zinc/76/47/95/561764795.db2.gz OGCXCGPUOHWTTK-KWXIBIRDSA-N -1 0 552.712 5.247 1 0 KKAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3cccc(Cl)c3Cl)C(=O)[O-])cc2)c1 ZINC000026011779 561765897 /nfs/dbraw/zinc/76/58/97/561765897.db2.gz OTHODZRCSFPBSF-NRFANRHFSA-N -1 0 550.464 5.166 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)NCc4ccccc4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026013767 561765999 /nfs/dbraw/zinc/76/59/99/561765999.db2.gz NCUIFATZXFJUBY-LJAQVGFWSA-N -1 0 571.699 5.575 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(C)=O)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026012825 561766042 /nfs/dbraw/zinc/76/60/42/561766042.db2.gz MKWMDDYXJPKBRA-PMERELPUSA-N -1 0 571.695 6.778 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026016104 561766366 /nfs/dbraw/zinc/76/63/66/561766366.db2.gz AVEYRMOKDFXVLL-NDEPHWFRSA-N -1 0 597.655 7.594 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(C=O)c(CC)nc2CCC)c(F)c1 ZINC000026146521 561767157 /nfs/dbraw/zinc/76/71/57/561767157.db2.gz COGVBHVZHBWJJJ-UHFFFAOYSA-N -1 0 529.634 5.280 1 0 KKAFRM O=C([O-])CC[C@@H](C(=O)[O-])[NH+](C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026167842 561769506 /nfs/dbraw/zinc/76/95/06/561769506.db2.gz FEWWRCMQWSYGIO-DXTAQGIJSA-N -1 0 563.650 7.618 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Oc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026172227 561770142 /nfs/dbraw/zinc/77/01/42/561770142.db2.gz QETNPKWOLZTWCI-LOYHVIPDSA-N -1 0 566.654 5.585 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026172505 561770273 /nfs/dbraw/zinc/77/02/73/561770273.db2.gz XNNDVZWCQPPMHC-VWLOTQADSA-N -1 0 556.581 6.052 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026174009 561770482 /nfs/dbraw/zinc/77/04/82/561770482.db2.gz LLKABADNAFPDDZ-XMMPIXPASA-N -1 0 702.997 6.709 1 0 KKAFRM CCCc1nc(CN(Cc2ccccc2)C(=O)OCC(C)C)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026293890 561781037 /nfs/dbraw/zinc/78/10/37/561781037.db2.gz DZSSNZFJDSULEV-UHFFFAOYSA-N -1 0 607.715 6.224 1 0 KKAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1cc(Br)c([O-])c(Br)c1 ZINC000026184573 561772232 /nfs/dbraw/zinc/77/22/32/561772232.db2.gz BPBNAPMMJPPUIJ-UHFFFAOYSA-N -1 0 549.185 5.674 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C ZINC000026185206 561772514 /nfs/dbraw/zinc/77/25/14/561772514.db2.gz AAZUMNWVQDMBIL-UKFDQVPRSA-N -1 0 591.834 5.199 1 0 KKAFRM CCCc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026285496 561779758 /nfs/dbraw/zinc/77/97/58/561779758.db2.gz ISSSWRVOTBACDP-UHFFFAOYSA-N -1 0 611.706 5.878 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C2CC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026293084 561780856 /nfs/dbraw/zinc/78/08/56/561780856.db2.gz JOZGLYQYYYGZBS-UHFFFAOYSA-N -1 0 633.727 6.276 1 0 KKAFRM Cc1cc(C(F)(F)F)c(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c(C)n1 ZINC000026497672 561794715 /nfs/dbraw/zinc/79/47/15/561794715.db2.gz INQWPMTUXRDFFG-IBGZPJMESA-N -1 0 554.352 5.702 1 0 KKAFRM CCCc1nc(-n2c(Cl)ccc2Cl)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026379767 561783137 /nfs/dbraw/zinc/78/31/37/561783137.db2.gz USITVLBWRLMEQB-UHFFFAOYSA-N -1 0 522.396 5.527 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2[nH]c(-c3c(Cl)cccc3Cl)nc2c1)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026387027 561784690 /nfs/dbraw/zinc/78/46/90/561784690.db2.gz UTLDJUNUIMQLSJ-VXKWHMMOSA-N -1 0 642.348 5.419 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2[nH]c(-c3c(Cl)cccc3Cl)nc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000026388705 561785139 /nfs/dbraw/zinc/78/51/39/561785139.db2.gz XWZXOSXSUDVTSY-SFHVURJKSA-N -1 0 523.203 6.269 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000026390022 561785518 /nfs/dbraw/zinc/78/55/18/561785518.db2.gz CLFPRXYAWSKZIE-SBJFGYJNSA-N -1 0 721.697 5.638 1 0 KKAFRM CCCSC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393639 561786272 /nfs/dbraw/zinc/78/62/72/561786272.db2.gz AEOGPKLNXHHMSN-QPKFISTISA-N -1 0 680.710 5.058 1 0 KKAFRM CC(=O)CCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026498874 561794917 /nfs/dbraw/zinc/79/49/17/561794917.db2.gz CMHSSUIVYPCNAN-QFIPXVFZSA-N -1 0 533.452 5.677 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2cccc(OC)c2)cc1)C(C)(C)C ZINC000026396307 561787052 /nfs/dbraw/zinc/78/70/52/561787052.db2.gz HLPVNHUQEVIWBT-MFMCTBQISA-N -1 0 578.690 5.582 1 0 KKAFRM CCOc1ccccc1Cc1ccc(C[P@](=O)([O-])C[C@H](CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 ZINC000026397935 561787540 /nfs/dbraw/zinc/78/75/40/561787540.db2.gz XOYCZHYJWUFTBH-IGYGKHONSA-N -1 0 592.717 5.972 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2C(F)(F)F)cc1)C(C)(C)C ZINC000026397914 561787562 /nfs/dbraw/zinc/78/75/62/561787562.db2.gz PAICNGFUXUHAMP-XRKRLSELSA-N -1 0 616.661 6.593 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1F)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026400361 561788229 /nfs/dbraw/zinc/78/82/29/561788229.db2.gz IQFZAFZQQFAEFD-LMSSTIIKSA-N -1 0 566.654 5.713 1 0 KKAFRM Cc1coc2c1c1c(cc2[O-])N(C(=O)c2cc3cc(NC(=O)c4cc5ccccc5[nH]4)ccc3[nH]2)CC1(C)C ZINC000026404301 561789358 /nfs/dbraw/zinc/78/93/58/561789358.db2.gz GFBPMDQOUYPOKW-UHFFFAOYSA-N -1 0 518.573 6.600 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)C(C)(C)c3cccc4ccccc43)c2=O)cc1 ZINC000026486047 561792530 /nfs/dbraw/zinc/79/25/30/561792530.db2.gz CYMQEBFIUQXEOJ-UMSFTDKQSA-N -1 0 673.810 6.373 1 0 KKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3OC)c2c1 ZINC000026488084 561792775 /nfs/dbraw/zinc/79/27/75/561792775.db2.gz DDGGAPZDAJSHIS-NRFANRHFSA-N -1 0 541.648 6.804 1 0 KKAFRM C[C@@]1(C(=O)N[C@H](CC(=O)[O-])c2ccc(-c3ccc(F)cc3OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026488709 561792904 /nfs/dbraw/zinc/79/29/04/561792904.db2.gz UESVTZGYIZAPSB-KCWPFWIISA-N -1 0 663.473 6.574 1 0 KKAFRM COc1cccc(-c2ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1F ZINC000026493043 561793642 /nfs/dbraw/zinc/79/36/42/561793642.db2.gz DGNOCODAECIWQQ-PKTZIBPZSA-N -1 0 595.476 5.293 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1 ZINC000026494402 561793968 /nfs/dbraw/zinc/79/39/68/561793968.db2.gz LBXUJEDKVBNQHM-MGBGTMOVSA-N -1 0 645.756 5.638 1 0 KKAFRM COc1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCC2)cc1 ZINC000026502757 561795856 /nfs/dbraw/zinc/79/58/56/561795856.db2.gz NNTGHJBTOUDOGY-VWLOTQADSA-N -1 0 569.485 6.169 1 0 KKAFRM COc1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCC2)cc1OC ZINC000026503447 561796006 /nfs/dbraw/zinc/79/60/06/561796006.db2.gz SJUMTUNBMAXPFY-DEOSSOPVSA-N -1 0 599.511 6.178 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(OCc4ccc5ccccc5n4)ccc3n(Cc3ccc4ccccc4n3)c2c1 ZINC000026568146 561797533 /nfs/dbraw/zinc/79/75/33/561797533.db2.gz VAPHVOKMQSQXEN-QFIPXVFZSA-N -1 0 537.619 7.706 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000026568448 561797552 /nfs/dbraw/zinc/79/75/52/561797552.db2.gz MOIKMFNGIQVXAR-DEOSSOPVSA-N -1 0 541.475 6.918 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccccc2Br)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026572842 561798494 /nfs/dbraw/zinc/79/84/94/561798494.db2.gz VMSCZLCBWYPUAI-PVOYRIJTSA-N -1 0 647.487 10.198 1 0 KKAFRM C[C@]12CC[C@@H]3[C@H](CC=C4C=C(C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000026577738 561802308 /nfs/dbraw/zinc/80/23/08/561802308.db2.gz OZCCZZLCHJSNCZ-UWWCKQFOSA-N -1 0 522.129 7.425 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccc2ccccc2c1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026579126 561804240 /nfs/dbraw/zinc/80/42/40/561804240.db2.gz BVNHOVTUHKATJL-BLHCKONESA-N -1 0 730.802 6.848 1 0 KKAFRM CCCCc1nc2ccn([C@@H](C(=O)[O-])c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026638417 561806137 /nfs/dbraw/zinc/80/61/37/561806137.db2.gz BFESIDDMKNAESA-MUUNZHRXSA-N -1 0 559.630 5.110 1 0 KKAFRM CCCCc1nc2ccn([C@H](C(=O)[O-])c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026638423 561806222 /nfs/dbraw/zinc/80/62/22/561806222.db2.gz BFESIDDMKNAESA-NDEPHWFRSA-N -1 0 559.630 5.110 1 0 KKAFRM CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026663300 561810617 /nfs/dbraw/zinc/81/06/17/561810617.db2.gz LHMXLPGCMOBAMC-UHFFFAOYSA-N -1 0 547.446 6.658 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCCC(=O)[O-])CCc1ccccc1 ZINC000026666553 561811330 /nfs/dbraw/zinc/81/13/30/561811330.db2.gz HRCRDCCZAOTRSD-DZTHBYGISA-N -1 0 585.745 5.956 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc32)n1 ZINC000026667487 561811442 /nfs/dbraw/zinc/81/14/42/561811442.db2.gz GEKLWHMKKGCLLE-HKFHRXRESA-N -1 0 564.686 5.303 1 0 KKAFRM COc1ccc(CN2c3ccccc3[C@@](c3cccc(-c4ccccc4)c3)([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC2=O)cc1 ZINC000026667324 561811455 /nfs/dbraw/zinc/81/14/55/561811455.db2.gz DEYKKRWFIMYKJM-BLPFIKBVSA-N -1 0 614.702 5.681 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(=O)[O-])c3S1 ZINC000026668005 561811614 /nfs/dbraw/zinc/81/16/14/561811614.db2.gz BGGAKBUOKVKQCT-FQEVSTJZSA-N -1 0 555.099 7.648 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(C(=O)c2ccccc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026669782 561812029 /nfs/dbraw/zinc/81/20/29/561812029.db2.gz ZAMORKXKBIBLJW-QFIPXVFZSA-N -1 0 576.718 7.661 1 0 KKAFRM CC(C)(Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3CCCS2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000026669966 561812066 /nfs/dbraw/zinc/81/20/66/561812066.db2.gz XXXHLEQBTDBRHD-UHFFFAOYSA-N -1 0 597.180 8.676 1 0 KKAFRM Cc1ccc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)cc1 ZINC000026673687 561813220 /nfs/dbraw/zinc/81/32/20/561813220.db2.gz RLZUSDGCLWDQGG-VEEOACQBSA-N -1 0 561.465 6.214 1 0 KKAFRM CC(C)=CCC[C@@H](C)[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026674758 561813605 /nfs/dbraw/zinc/81/36/05/561813605.db2.gz LJZUIVDUKOZJED-DJUQAAIZSA-N -1 0 598.677 5.935 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc2c1OCCC2=O ZINC000026723488 561815531 /nfs/dbraw/zinc/81/55/31/561815531.db2.gz PCGXMMSIGYNWJC-RUZDIDTESA-N -1 0 510.583 5.213 1 0 KKAFRM C[C@@](Cc1cccc2ccccc21)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026724075 561815714 /nfs/dbraw/zinc/81/57/14/561815714.db2.gz DDMOESJKCONAST-VLCIBKSESA-N -1 0 568.714 5.848 1 0 KKAFRM CCCCCC(=O)N(Cc1ccc(C[P@@](=O)([O-])O)cc1)[C@H]1CC[C@H]2[C@@H]3CCc4cc(OCCC)ccc4[C@H]3CC[C@@]21C ZINC000026724709 561815738 /nfs/dbraw/zinc/81/57/38/561815738.db2.gz SMGYOTAFEDHFSV-MWTNOQARSA-N -1 0 595.761 7.987 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3ccccc3O[C@H](C)C(=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 ZINC000026724865 561815798 /nfs/dbraw/zinc/81/57/98/561815798.db2.gz BWTOBMCYVACNJZ-QGZVFWFLSA-N -1 0 527.495 5.988 1 0 KKAFRM O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(C(=O)c2ccccc2S(=O)(=O)[O-])c2cc(-c3ccc(F)cc3)ccc12 ZINC000026732003 561816725 /nfs/dbraw/zinc/81/67/25/561816725.db2.gz WSTGIXIJIWZIHP-MGBGTMOVSA-N -1 0 623.687 6.604 1 0 KKAFRM C/C(=C\C(=O)Nc1cc(C)ccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026735457 561817355 /nfs/dbraw/zinc/81/73/55/561817355.db2.gz XYPXEWJAMNUATD-WNAAXNPUSA-N -1 0 558.678 7.873 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@H](CC(=O)N(CC(=O)[O-])Cc2ccccc2)CC(C)C)cc1 ZINC000026740655 561818040 /nfs/dbraw/zinc/81/80/40/561818040.db2.gz AYKIXDQNPPZDEG-MHZLTWQESA-N -1 0 558.679 5.216 1 0 KKAFRM CO[P@@]([O-])(=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cccc1C(C)C ZINC000026744076 561818553 /nfs/dbraw/zinc/81/85/53/561818553.db2.gz QTFIQNRPNXCKLC-BHVANESWSA-N -1 0 515.675 8.796 1 0 KKAFRM Cc1cc(C(c2ccc(F)c(C)c2)c2cc(Cl)cc(Cl)c2OC[C@H](O)C[C@@H](O)CC(=O)[O-])ccc1F ZINC000026745691 561818783 /nfs/dbraw/zinc/81/87/83/561818783.db2.gz VRUKSNBTMNSBFT-WOJBJXKFSA-N -1 0 539.402 6.034 1 0 KKAFRM CC(C)c1cc(SC(C)(C)Sc2cc(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c2)cc(-c2ccc(F)cc2)c1O ZINC000026745578 561818801 /nfs/dbraw/zinc/81/88/01/561818801.db2.gz VDPZSEASYIIOOX-WDYNHAJCSA-N -1 0 710.905 9.837 1 0 KKAFRM CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026746037 561818929 /nfs/dbraw/zinc/81/89/29/561818929.db2.gz UFSXOKMGOHBXIH-NHCUHLMSSA-N -1 0 502.579 5.872 1 0 in-vitro KKAFRM Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c([C@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)c1 ZINC000026750448 561819587 /nfs/dbraw/zinc/81/95/87/561819587.db2.gz HITATFSDGIRUCG-JQYIIUTOSA-N -1 0 520.519 5.607 1 0 KKAFRM COc1ccc(CCOC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H](Oc2nc3c(c(OC)n2)CCC3)C(=O)[O-])cc1OC ZINC000026818682 561820639 /nfs/dbraw/zinc/82/06/39/561820639.db2.gz ZXXCWRYARSIMPM-LJAQVGFWSA-N -1 0 639.532 6.333 1 0 KKAFRM COc1cc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc(OC)c1OC ZINC000026821871 561821356 /nfs/dbraw/zinc/82/13/56/561821356.db2.gz WZCUCQGZYXGPHF-LJAQVGFWSA-N -1 0 558.631 5.154 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@@H]2[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000026823026 561821437 /nfs/dbraw/zinc/82/14/37/561821437.db2.gz UCTXVHZMOAZHBQ-WTGSTYHVSA-N -1 0 598.744 5.962 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026959033 561829525 /nfs/dbraw/zinc/82/95/25/561829525.db2.gz YORMFHAYKAUGEW-UHFFFAOYSA-N -1 0 526.451 5.947 1 0 KKAFRM O=C([O-])[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000026961299 561829655 /nfs/dbraw/zinc/82/96/55/561829655.db2.gz RGAGUHBLKQOAIG-VWLOTQADSA-N -1 0 520.416 5.408 1 0 KKAFRM COc1ccccc1SC[C@H](C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026993943 561832973 /nfs/dbraw/zinc/83/29/73/561832973.db2.gz YDDMVPLLJTZTQL-BMHWHTMQSA-N -1 0 728.808 5.863 1 0 KKAFRM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C(C)(C)C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026995181 561833054 /nfs/dbraw/zinc/83/30/54/561833054.db2.gz DXQHMRXRCUUYTE-UHFFFAOYSA-N -1 0 536.625 5.180 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccccc2)c1 ZINC000026995752 561833253 /nfs/dbraw/zinc/83/32/53/561833253.db2.gz WNYYYKJCROFOGD-UHFFFAOYSA-N -1 0 549.649 5.834 1 0 KKAFRM O=C([O-])CCc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(Br)c1 ZINC000026997310 561833553 /nfs/dbraw/zinc/83/35/53/561833553.db2.gz RVJVDKGVAHGYLC-UHFFFAOYSA-N -1 0 523.177 5.006 1 0 KKAFRM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998119 561833693 /nfs/dbraw/zinc/83/36/93/561833693.db2.gz SJZGJLYNRZRTHV-JTZWTTIBSA-N -1 0 693.914 6.136 1 0 KKAFRM C[C@](CCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000027073912 561833796 /nfs/dbraw/zinc/83/37/96/561833796.db2.gz DNPLHAZFJZIGBU-LHEWISCISA-N -1 0 567.685 8.717 1 0 KKAFRM O=C([O-])COc1cccc(CCc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)o2)c1 ZINC000027094641 561837868 /nfs/dbraw/zinc/83/78/68/561837868.db2.gz SFUDGARSMWVSDP-UHFFFAOYSA-N -1 0 557.238 6.782 1 0 KKAFRM O=c1[n-]c(=O)n(C/C=C/c2cc(OCc3ccc(C(F)(F)F)cc3)cc(OCc3ccc(C(F)(F)F)cc3)c2)o1 ZINC000027097483 561838216 /nfs/dbraw/zinc/83/82/16/561838216.db2.gz FZZIBOOHFPOKRX-OWOJBTEDSA-N -1 0 566.454 6.451 1 0 KKAFRM O=C([O-])c1ccc(OCC(=O)COc2ccc(-c3noc(Cc4ccc(Cl)c(Cl)c4)n3)cc2)cc1 ZINC000027180814 561841690 /nfs/dbraw/zinc/84/16/90/561841690.db2.gz LFXHGMXLBMRDLV-UHFFFAOYSA-N -1 0 513.333 5.359 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000027322883 561853024 /nfs/dbraw/zinc/85/30/24/561853024.db2.gz LHVGZIIAYJDNGW-XRVLADTOSA-N -1 0 585.701 5.153 1 0 KKAFRM C[C@H](NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccccc1CC(=O)[O-] ZINC000027327531 561853913 /nfs/dbraw/zinc/85/39/13/561853913.db2.gz LJWVDVWDAOWJAC-FQEVSTJZSA-N -1 0 526.614 5.634 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(=O)[O-])Cc1ccccc1 ZINC000027415241 561856918 /nfs/dbraw/zinc/85/69/18/561856918.db2.gz NCOGAESKOSUPSM-JWZQQOIUSA-N -1 0 629.754 5.156 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1ccccc1)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426577 561858468 /nfs/dbraw/zinc/85/84/68/561858468.db2.gz CPUZQNCYTMEBRA-OOWIMERYSA-N -1 0 545.657 5.888 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1ccccc1)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426572 561858478 /nfs/dbraw/zinc/85/84/78/561858478.db2.gz CPUZQNCYTMEBRA-FKAPRUDGSA-N -1 0 545.657 5.888 1 0 KKAFRM O=C([O-])CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427384 561858687 /nfs/dbraw/zinc/85/86/87/561858687.db2.gz TUGLFOOUIBUAGY-NPRNALBESA-N -1 0 684.837 5.252 1 0 KKAFRM O=C([O-])CCCCC[C@H](CNS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1cccnc1 ZINC000027436303 561860094 /nfs/dbraw/zinc/86/00/94/561860094.db2.gz RJSSMVIUVOBAOG-HHHXNRCGSA-N -1 0 502.636 5.999 1 0 KKAFRM O=C([O-])CCCCC[C@@H](CNS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1cccnc1 ZINC000027436298 561860096 /nfs/dbraw/zinc/86/00/96/561860096.db2.gz RJSSMVIUVOBAOG-MHZLTWQESA-N -1 0 502.636 5.999 1 0 KKAFRM Cn1ccc2cc(Sc3ccc(/C=C/C(=O)N4CCC(C(=O)[O-])CC4)c(C(F)(F)F)c3C(F)(F)F)ccc21 ZINC000027443663 561861053 /nfs/dbraw/zinc/86/10/53/561861053.db2.gz QCABIGRYALYSAQ-XVNBXDOJSA-N -1 0 556.528 6.704 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)s2)c2ccccc21 ZINC000027517483 561861206 /nfs/dbraw/zinc/86/12/06/561861206.db2.gz HHGADXLCALZDPD-JOCHJYFZSA-N -1 0 536.613 5.175 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CCOCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027518115 561861981 /nfs/dbraw/zinc/86/19/81/561861981.db2.gz ONPPNKKWBXFNOH-GDLZYMKVSA-N -1 0 549.627 5.792 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S@@](=O)c1ccccc1C(=O)[O-] ZINC000027518395 561862254 /nfs/dbraw/zinc/86/22/54/561862254.db2.gz VWKBWVLXVQEVBG-RWYGWLOXSA-N -1 0 576.686 7.426 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CCCCC3)c1 ZINC000027521311 561863919 /nfs/dbraw/zinc/86/39/19/561863919.db2.gz WMVFGKBJSVBHEK-VBZLLIOFSA-N -1 0 569.811 8.410 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CC(C)(C)CC3)c1 ZINC000027521431 561864052 /nfs/dbraw/zinc/86/40/52/561864052.db2.gz ZWMCRMIDWSXPOI-XKEBZJCVSA-N -1 0 583.838 8.656 1 0 KKAFRM C[C@@H]1CCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)[O-])CC4)c3)nc21 ZINC000027521743 561864133 /nfs/dbraw/zinc/86/41/33/561864133.db2.gz NWPVERDHSASZCG-CCZLRIOTSA-N -1 0 555.784 8.191 1 0 KKAFRM CCCCc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)nc1 ZINC000027522687 561864650 /nfs/dbraw/zinc/86/46/50/561864650.db2.gz APFHYXSUIMWOIF-CGNAPUSOSA-N -1 0 557.800 8.484 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1C(=O)c1ccccc1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000027523487 561865083 /nfs/dbraw/zinc/86/50/83/561865083.db2.gz SYGSTFVYDHCCKQ-RTBCPWMPSA-N -1 0 606.187 9.417 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(Cl)cc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550319 561867719 /nfs/dbraw/zinc/86/77/19/561867719.db2.gz ZWFMZAXEFLJBOS-DQBJLQAUSA-N -1 0 625.243 6.496 1 0 KKAFRM CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C ZINC000027552230 561868362 /nfs/dbraw/zinc/86/83/62/561868362.db2.gz IGATXWPIMVWZBU-ZVBOOHQUSA-N -1 0 539.694 5.603 1 0 KKAFRM CCC(=O)O[C@H](OP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])O[C@@H](OC(=O)CC)C(C)C)C(C)C ZINC000027559079 561870090 /nfs/dbraw/zinc/87/00/90/561870090.db2.gz MRBMNWVPUDEXSG-SKTNCWGXSA-N -1 0 662.717 5.500 1 0 KKAFRM CCCCCN(CC(=O)N(c1ccccc1)C(C)C)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000027560821 561870603 /nfs/dbraw/zinc/87/06/03/561870603.db2.gz CQXCTWVFVIMGMD-XMMPIXPASA-N -1 0 564.510 5.417 1 0 KKAFRM C[C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000027634820 561874277 /nfs/dbraw/zinc/87/42/77/561874277.db2.gz CNQMAXYHMXMACY-MRVPVSSYSA-N -1 0 649.988 5.262 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)[O-])CC[C@@]43C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000027620754 561872582 /nfs/dbraw/zinc/87/25/82/561872582.db2.gz TVPXSOSHQHXACU-UFAKWALKSA-N -1 0 530.702 5.580 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(Br)cc2)CC(=O)c2ccc(Br)cc2)c1 ZINC000027630859 561873779 /nfs/dbraw/zinc/87/37/79/561873779.db2.gz NKXSKYCSJUWPDY-UHFFFAOYSA-N -1 0 530.212 6.539 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N(Cc1cc2c(cc1Cl)OCO2)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027644088 561875653 /nfs/dbraw/zinc/87/56/53/561875653.db2.gz VUGYHBCNAYCAQG-DRGXBFSJSA-N -1 0 546.963 5.017 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3C(=O)OCC)c(Br)c2c1 ZINC000027656708 561877794 /nfs/dbraw/zinc/87/77/94/561877794.db2.gz MGEPFVRCLCJLBQ-UHFFFAOYSA-N -1 0 559.844 6.978 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@H]1C2CCC(CC2)N1S(=O)(=O)c1ccc(Cl)s1 ZINC000027657219 561877955 /nfs/dbraw/zinc/87/79/55/561877955.db2.gz FLYZWERLPYFRIM-NWJOTOTJSA-N -1 0 672.012 5.099 1 0 KKAFRM COc1ccc2c(c1OCCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000027657672 561878208 /nfs/dbraw/zinc/87/82/08/561878208.db2.gz FHPFOZINLKCVGP-NDEPHWFRSA-N -1 0 521.613 5.487 1 0 KKAFRM CC(C)C(=O)O[C@H](OP(=O)(O[C@@H](OC(=O)C(C)C)C(C)C)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-])C(C)C ZINC000027721366 561880607 /nfs/dbraw/zinc/88/06/07/561880607.db2.gz FZCQRBTUJNPBQQ-DOTMXCTOSA-N -1 0 670.758 7.604 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000027724143 561880736 /nfs/dbraw/zinc/88/07/36/561880736.db2.gz UYLNUFDKUZRVHC-UVIRAJKCSA-N -1 0 717.700 6.319 1 0 KKAFRM Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cccc(c1C(=O)[O-])COCCOCCO2 ZINC000027874745 561888481 /nfs/dbraw/zinc/88/84/81/561888481.db2.gz HNVSJMAPVLMASN-UHFFFAOYSA-N -1 0 558.712 5.945 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CC2)nc1OCCNS(=O)(=O)c1ccc(C)cc1 ZINC000028086362 561899117 /nfs/dbraw/zinc/89/91/17/561899117.db2.gz OJVKLWQZUMZBLD-UHFFFAOYSA-N -1 0 653.783 5.140 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)n2ccc3ccccc32)nc1C(=O)[O-] ZINC000028099246 561901220 /nfs/dbraw/zinc/90/12/20/561901220.db2.gz RERVLVZAPWLPBH-BJKOFHAPSA-N -1 0 555.635 5.200 1 0 KKAFRM CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2noc(C)c2C)c(CCC)c1 ZINC000028109329 561902874 /nfs/dbraw/zinc/90/28/74/561902874.db2.gz QEBLHBVPAMLPBZ-UHFFFAOYSA-N -1 0 576.763 6.955 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C)C)nc1C(=O)[O-] ZINC000028107402 561902429 /nfs/dbraw/zinc/90/24/29/561902429.db2.gz PNMVPOFSIZYXEJ-HYBUGGRVSA-N -1 0 536.673 5.074 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000028125680 561904950 /nfs/dbraw/zinc/90/49/50/561904950.db2.gz OUJPKXOGQQVHGA-UXHICEINSA-N -1 0 580.300 5.272 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)c(Cl)cc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028134027 561906297 /nfs/dbraw/zinc/90/62/97/561906297.db2.gz QOQUWWZUQBEUTE-PMACEKPBSA-N -1 0 615.638 6.213 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000028137860 561906981 /nfs/dbraw/zinc/90/69/81/561906981.db2.gz VMNOQXOCNDWHJI-PMACEKPBSA-N -1 0 596.299 5.151 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028226773 561908224 /nfs/dbraw/zinc/90/82/24/561908224.db2.gz MTAIFRNFDVAOAG-RSGWKFRKSA-N -1 0 664.740 5.064 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028345155 561914712 /nfs/dbraw/zinc/91/47/12/561914712.db2.gz XTEJZDMBWFPVLK-ZQHCNEAISA-N -1 0 555.844 7.374 1 0 KKAFRM C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028345145 561914721 /nfs/dbraw/zinc/91/47/21/561914721.db2.gz UPWUKLAOHOIVIU-OAZDNXSESA-N -1 0 527.790 6.738 1 0 KKAFRM CC(C)CN(C(=O)OC(C)(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028335041 561913165 /nfs/dbraw/zinc/91/31/65/561913165.db2.gz CITYBYHSEKMIFY-XMMPIXPASA-N -1 0 585.528 8.054 1 0 KKAFRM CCCN(C(=O)C(C)(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028336946 561913431 /nfs/dbraw/zinc/91/34/31/561913431.db2.gz IKKXRNOHZUKTGU-HSZRJFAPSA-N -1 0 555.502 7.446 1 0 KKAFRM CCCN(C(=O)C(C)(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028336953 561913468 /nfs/dbraw/zinc/91/34/68/561913468.db2.gz IKKXRNOHZUKTGU-QHCPKHFHSA-N -1 0 555.502 7.446 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1Cl)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028342402 561914383 /nfs/dbraw/zinc/91/43/83/561914383.db2.gz XRGBLARSTALKEC-PMACEKPBSA-N -1 0 581.193 5.560 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230861 561909115 /nfs/dbraw/zinc/90/91/15/561909115.db2.gz RLSOYIYRBIXBNU-SKTSAMEXSA-N -1 0 730.803 5.010 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)c1cccc(NC(=O)Cc2ccccc2)c1 ZINC000028347497 561915088 /nfs/dbraw/zinc/91/50/88/561915088.db2.gz SHQJLABRHHEFDM-XMMPIXPASA-N -1 0 547.438 6.838 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352536 561915770 /nfs/dbraw/zinc/91/57/70/561915770.db2.gz WEJSUWDWHXERKS-XMMPIXPASA-N -1 0 569.529 7.692 1 0 KKAFRM CCCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028356165 561916229 /nfs/dbraw/zinc/91/62/29/561916229.db2.gz QLEPVYXTIMUWHF-RUZDIDTESA-N -1 0 627.609 8.481 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3C[C@H](O)C[C@H]3C(=O)[O-])c2)cc1C(F)(F)F ZINC000028357325 561916348 /nfs/dbraw/zinc/91/63/48/561916348.db2.gz KRGAECPDXVSJPY-NQIIRXRSSA-N -1 0 502.558 6.066 1 0 KKAFRM COc1cc2c(cc1OC)CN(C(=O)OCCn1cc3c(n1)C[C@@H]1CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)CCC(=O)NCC(=O)[O-])[C@@]5(C)CC[C@@H]4[C@@]1(C)C3)CC2 ZINC000028364831 561917295 /nfs/dbraw/zinc/91/72/95/561917295.db2.gz ORHZKZBQICEILG-DAFCHIQNSA-N -1 0 718.936 6.286 1 0 KKAFRM O=C([O-])c1nc2cc(-n3cnc(COC(=O)Nc4cc(Cl)cc(Cl)c4)c3)c(C(F)(F)F)cc2[nH]c1=O ZINC000028388100 561921550 /nfs/dbraw/zinc/92/15/50/561921550.db2.gz AMHZYPDCMKMEJC-UHFFFAOYSA-N -1 0 542.257 5.294 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1-c1ccc(Cl)cc1 ZINC000028463422 561925787 /nfs/dbraw/zinc/92/57/87/561925787.db2.gz ASAPNNLBIMTRGL-LHEWISCISA-N -1 0 651.227 11.221 1 0 KKAFRM CCCC[C@@H](Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1Br)C(=O)[O-] ZINC000028464320 561925890 /nfs/dbraw/zinc/92/58/90/561925890.db2.gz PCKQHLYWSVLRRO-GDLZYMKVSA-N -1 0 648.391 9.905 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccnc3cc(Cl)ccc32)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028471099 561926979 /nfs/dbraw/zinc/92/69/79/561926979.db2.gz AYUMFEOOWJWUDS-YKMRHESGSA-N -1 0 654.204 5.281 1 0 KKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc(Br)c4)cc3Cl)nc2c1 ZINC000028524968 561930960 /nfs/dbraw/zinc/93/09/60/561930960.db2.gz LOMAHCHOMYSBMQ-WEVVVXLNSA-N -1 0 511.759 6.190 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)CC(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000028527384 561932401 /nfs/dbraw/zinc/93/24/01/561932401.db2.gz SZVNRFIDUGNUEK-UHFFFAOYSA-N -1 0 603.638 6.124 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000028527768 561932551 /nfs/dbraw/zinc/93/25/51/561932551.db2.gz QDDBXFCWDQKYJE-UHFFFAOYSA-N -1 0 589.655 6.597 1 0 KKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21 ZINC000028565413 561936217 /nfs/dbraw/zinc/93/62/17/561936217.db2.gz BVFHNBILEFPJHJ-FTJBHMTQSA-N -1 0 511.618 7.088 1 0 KKAFRM Cc1c(CCOc2ccc(CCCC(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028567010 561936614 /nfs/dbraw/zinc/93/66/14/561936614.db2.gz LRUBTCKCSUPSGH-UHFFFAOYSA-N -1 0 538.087 8.270 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2c(ccc(Cl)c2Cl)n1C(c1ccccc1)c1ccccc1 ZINC000028567216 561936686 /nfs/dbraw/zinc/93/66/86/561936686.db2.gz LHKGOFIWZNJVDI-UHFFFAOYSA-N -1 0 578.517 7.609 1 0 KKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028567822 561936990 /nfs/dbraw/zinc/93/69/90/561936990.db2.gz FCJIZDBDUYVVGN-UNMCSNQZSA-N -1 0 541.488 7.450 1 0 KKAFRM CC[C@@H](C(=O)Nc1onc(C(C)C)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC000028569408 561937980 /nfs/dbraw/zinc/93/79/80/561937980.db2.gz XBRLJCMSNZNYPV-GOSISDBHSA-N -1 0 514.466 6.910 1 0 KKAFRM [O-]c1c(Br)c(Br)c(Br)cc1Oc1cccc(Br)c1O ZINC000028604323 561940691 /nfs/dbraw/zinc/94/06/91/561940691.db2.gz GCUQVFZXBPPQHB-UHFFFAOYSA-N -1 0 517.793 5.940 1 0 KKAFRM COc1ccc(Sc2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)cc1 ZINC000028708814 561950426 /nfs/dbraw/zinc/95/04/26/561950426.db2.gz DLXPFXIVZQNFHJ-UHFFFAOYSA-N -1 0 576.762 9.144 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)Nc4nc(CC(=O)[O-])cs4)cc3)C[C@@]21C ZINC000028709064 561950539 /nfs/dbraw/zinc/95/05/39/561950539.db2.gz UDHISUQCHJCRAL-FOTGZYITSA-N -1 0 613.780 5.499 1 0 KKAFRM CN(C)S(=O)(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708842 561950556 /nfs/dbraw/zinc/95/05/56/561950556.db2.gz RGAPSDJNOLZHON-UHFFFAOYSA-N -1 0 545.705 6.235 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(C(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709051 561950600 /nfs/dbraw/zinc/95/06/00/561950600.db2.gz RBSHFBJYTBVNAZ-ONBGVYQJSA-N -1 0 549.711 6.675 1 0 KKAFRM C[C@@H]1CCC[C@H]1C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655818 561946709 /nfs/dbraw/zinc/94/67/09/561946709.db2.gz ZRUPEKXQFRVJGS-HYBUGGRVSA-N -1 0 544.652 5.555 1 0 KKAFRM Cc1cc(SC[C@@H](COc2ccc(C(F)(F)F)cc2)OCc2ccccc2)ccc1OCC(=O)[O-] ZINC000028704745 561948797 /nfs/dbraw/zinc/94/87/97/561948797.db2.gz MOYBWNXSKZNSDG-JOCHJYFZSA-N -1 0 506.542 6.234 1 0 KKAFRM CCN(C(=O)NCC(=O)Nc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705217 561948996 /nfs/dbraw/zinc/94/89/96/561948996.db2.gz NIYZWBLYSXXBCE-UHFFFAOYSA-N -1 0 556.490 6.760 1 0 KKAFRM CC[C@H](Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1Br)C(=O)[O-] ZINC000028758616 561957400 /nfs/dbraw/zinc/95/74/00/561957400.db2.gz NQGDVVNWCILAEH-SANMLTNESA-N -1 0 620.337 9.125 1 0 KKAFRM O=C([O-])COc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028758593 561957403 /nfs/dbraw/zinc/95/74/03/561957403.db2.gz XFYYSLBHZPQYCH-UHFFFAOYSA-N -1 0 529.455 8.052 1 0 KKAFRM CC1(C)Oc2ccc(Cc3sc4ccccc4c3-c3ccc(-c4ccc(O[C@H](Cc5ccccc5)C(=O)[O-])cc4)cc3)cc2O1 ZINC000028755479 561955631 /nfs/dbraw/zinc/95/56/31/561955631.db2.gz RMIUMNASYHPGOQ-UUWRZZSWSA-N -1 0 612.747 9.408 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3oc4ccccc4c3Cc3ccccc3)cc2)cc1 ZINC000028756695 561956363 /nfs/dbraw/zinc/95/63/63/561956363.db2.gz YFLFWUJJLNERSQ-UUWRZZSWSA-N -1 0 524.616 8.432 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4cccnc4oc3Cc3ccccc3)cc2)cc1 ZINC000028756768 561956484 /nfs/dbraw/zinc/95/64/84/561956484.db2.gz WSPFNVGOVUZIBH-YTTGMZPUSA-N -1 0 525.604 7.827 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4oc3[C@@H](O)c3ccccc3)cc2)cc1 ZINC000028757726 561956989 /nfs/dbraw/zinc/95/69/89/561956989.db2.gz YQQYSUVYYHJQSV-CWTKIQHKSA-N -1 0 540.615 7.923 1 0 KKAFRM COc1ccc(-c2cc(-c3ccc(-c4c5ccccc5sc4Cc4ccccc4)cc3)ccc2O[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000028758457 561957234 /nfs/dbraw/zinc/95/72/34/561957234.db2.gz CRMKKTGWCSAERD-LDLOPFEMSA-N -1 0 646.808 10.576 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028760234 561957862 /nfs/dbraw/zinc/95/78/62/561957862.db2.gz UVBWRYQRNWJJFZ-UHFFFAOYSA-N -1 0 587.020 5.157 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(CCc2ccccc2)c1 ZINC000028760563 561957896 /nfs/dbraw/zinc/95/78/96/561957896.db2.gz DEVSZOOQQVOWML-MFMCTBQISA-N -1 0 564.663 5.084 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C(=O)C(C)C)C2CC2)c1C ZINC000028767662 561960073 /nfs/dbraw/zinc/96/00/73/561960073.db2.gz XPPNYNZMOQSBAA-UHFFFAOYSA-N -1 0 534.638 5.561 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC2CCCCC2)c1C ZINC000028768338 561960310 /nfs/dbraw/zinc/96/03/10/561960310.db2.gz XFVRGRHYQOBYLX-UHFFFAOYSA-N -1 0 562.692 6.343 1 0 KKAFRM O=C([O-])CCc1c2c(cc(-c3ccccc3)c1-c1ccccc1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000028769544 561960834 /nfs/dbraw/zinc/96/08/34/561960834.db2.gz UNDLJPOSGRDDIS-RUZDIDTESA-N -1 0 546.088 6.527 1 0 KKAFRM O=C([O-])CC/C=C/c1cc(Cc2cccnc2)cc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028771098 561961375 /nfs/dbraw/zinc/96/13/75/561961375.db2.gz QLHRWZWPJKVRRO-OEMQOGILSA-N -1 0 511.043 5.040 1 0 KKAFRM COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820904 561966033 /nfs/dbraw/zinc/96/60/33/561966033.db2.gz SDYSSHHNOIVGPM-GDLZYMKVSA-N -1 0 624.487 7.331 1 0 KKAFRM CCO[C@@H](Cc1ccc(CC[C@@H](OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028822003 561966577 /nfs/dbraw/zinc/96/65/77/561966577.db2.gz RJBMVGPWWMWGNI-WDYNHAJCSA-N -1 0 533.734 6.782 1 0 KKAFRM CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2ccccc2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822197 561966685 /nfs/dbraw/zinc/96/66/85/561966685.db2.gz PRIONYXAYHDPNI-NTWBYJAHSA-N -1 0 547.721 5.830 1 0 KKAFRM Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(c1OCC(=O)[O-])CCCO2 ZINC000028822320 561966878 /nfs/dbraw/zinc/96/68/78/561966878.db2.gz KOEHFAAAJFPVKP-UHFFFAOYSA-N -1 0 518.553 6.674 1 0 KKAFRM CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822424 561966938 /nfs/dbraw/zinc/96/69/38/561966938.db2.gz NDUITOJEZKAZBB-LLVKDONJSA-N -1 0 535.321 5.365 1 0 KKAFRM CCCNC(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824101 561968834 /nfs/dbraw/zinc/96/88/34/561968834.db2.gz UJDBECXUXWRTMQ-UHFFFAOYSA-N -1 0 538.692 7.516 1 0 KKAFRM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)[O-])c(Cl)c1 ZINC000028824058 561968854 /nfs/dbraw/zinc/96/88/54/561968854.db2.gz RRGQTZFOQQMAOA-UHFFFAOYSA-N -1 0 505.933 5.840 1 0 KKAFRM CCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824135 561969036 /nfs/dbraw/zinc/96/90/36/561969036.db2.gz MDQMXCOFHQWLMI-UHFFFAOYSA-N -1 0 545.705 6.746 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824172 561969198 /nfs/dbraw/zinc/96/91/98/561969198.db2.gz IELVEKVXXPCGET-UHFFFAOYSA-N -1 0 661.746 8.804 1 0 KKAFRM Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825477 561970840 /nfs/dbraw/zinc/97/08/40/561970840.db2.gz HNESZXCOTZCFMK-UHFFFAOYSA-N -1 0 523.454 6.256 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825460 561970844 /nfs/dbraw/zinc/97/08/44/561970844.db2.gz LOJORHPOXAEPAJ-UHFFFAOYSA-N -1 0 501.501 6.287 1 0 KKAFRM O=C(Nc1ccc(SC(F)(F)F)cc1)c1cc2cc(Br)ccc2c(Br)c1[O-] ZINC000028863545 561972362 /nfs/dbraw/zinc/97/23/62/561972362.db2.gz RRVXHLGDGGNMIW-UHFFFAOYSA-N -1 0 521.152 6.935 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(C3CCCCC3)c(-c3ccccc3)nc2c1 ZINC000028879959 561976631 /nfs/dbraw/zinc/97/66/31/561976631.db2.gz GIKZFTBEUKUBFS-NDEPHWFRSA-N -1 0 518.617 6.252 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc(NC(=O)c3ccc4nc(C5CCCCC5)c(-c5ccccc5)nc4c3)cc2)o1 ZINC000028880129 561976634 /nfs/dbraw/zinc/97/66/34/561976634.db2.gz YBXGZEZMWSXBKD-UHFFFAOYSA-N -1 0 517.585 7.555 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(N4CCCC4=O)ccc3N3CCC(O)CC3)cc1F)n2C1CCCCC1 ZINC000028893967 561978625 /nfs/dbraw/zinc/97/86/25/561978625.db2.gz KDLZOLULROPRPD-UHFFFAOYSA-N -1 0 626.729 6.713 1 0 KKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc1)C(=O)[O-] ZINC000028948431 561980296 /nfs/dbraw/zinc/98/02/96/561980296.db2.gz SFLKUQNGCABHIS-SEGHEJGSSA-N -1 0 590.804 9.740 1 0 KKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(/C=C/c3ccccc3)cc(/C=C/c3ccccc3)c2)cc1)C(=O)[O-] ZINC000028948423 561980314 /nfs/dbraw/zinc/98/03/14/561980314.db2.gz ADYURMHVIHXMML-SDEPAHMESA-N -1 0 530.664 8.152 1 0 KKAFRM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2C(=O)[O-])C3)cc2ccccc21 ZINC000028949600 561980659 /nfs/dbraw/zinc/98/06/59/561980659.db2.gz GAIAHCFLZIBWBP-QFIPXVFZSA-N -1 0 532.618 5.235 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NCc1cccc(C(N)=O)c1 ZINC000028951274 561981582 /nfs/dbraw/zinc/98/15/82/561981582.db2.gz KDBMKKREZFBZMM-VSGBNLITSA-N -1 0 615.702 5.090 1 0 KKAFRM Cc1cc2c(cc1-c1cc(CCC(=O)[O-])ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C ZINC000028952256 561981823 /nfs/dbraw/zinc/98/18/23/561981823.db2.gz GDQPGUGIXZYMAU-UHFFFAOYSA-N -1 0 503.439 6.154 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(C3CCCCC3)nc2c1 ZINC000028880048 561976701 /nfs/dbraw/zinc/97/67/01/561976701.db2.gz NAZRTNSSBZNHTB-NDEPHWFRSA-N -1 0 552.606 6.096 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc5cc(Cl)ccc5[nH]4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000028960790 561984151 /nfs/dbraw/zinc/98/41/51/561984151.db2.gz APBWJXHEFGHMDV-UHFFFAOYSA-N -1 0 534.956 5.426 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccncc1 ZINC000028961587 561984354 /nfs/dbraw/zinc/98/43/54/561984354.db2.gz PITUWIXTRWKEDE-SANMLTNESA-N -1 0 578.996 6.202 1 0 KKAFRM O=C(c1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)N1CCCCC1 ZINC000028969345 561985597 /nfs/dbraw/zinc/98/55/97/561985597.db2.gz LZCPCYZMWRPZJO-UHFFFAOYSA-N -1 0 525.774 5.548 1 0 KKAFRM COC(=O)c1sc(C(F)(F)F)c(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(Br)ccc1C(=O)N1CCCCC1 ZINC000028969407 561985661 /nfs/dbraw/zinc/98/56/61/561985661.db2.gz HCHCIXCNRKUIPV-UHFFFAOYSA-N -1 0 631.492 6.410 1 0 KKAFRM CCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972008 561985884 /nfs/dbraw/zinc/98/58/84/561985884.db2.gz ZCSQRIUSNYWMRH-IBGZPJMESA-N -1 0 526.646 7.055 1 0 KKAFRM CCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972024 561985907 /nfs/dbraw/zinc/98/59/07/561985907.db2.gz LPIOWSAERUUNFA-HXUWFJFHSA-N -1 0 524.605 6.732 1 0 KKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972173 561986028 /nfs/dbraw/zinc/98/60/28/561986028.db2.gz RCPIUTPSFYISEU-INIZCTEOSA-N -1 0 516.969 6.215 1 0 KKAFRM CC(C)(Sc1ccc2c(c1)C[C@H](N(CCCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)[O-] ZINC000028972144 561986033 /nfs/dbraw/zinc/98/60/33/561986033.db2.gz JLMCOZPWFDAIPV-GOSISDBHSA-N -1 0 564.548 6.884 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973638 561986274 /nfs/dbraw/zinc/98/62/74/561986274.db2.gz SMXPIECMTBWEDK-CLJLJLNGSA-N -1 0 514.647 5.377 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(-c2ccccc2)c1 ZINC000028973969 561986275 /nfs/dbraw/zinc/98/62/75/561986275.db2.gz LGYCFRCRBVRZAL-LMSSTIIKSA-N -1 0 550.636 5.268 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977764 561987481 /nfs/dbraw/zinc/98/74/81/561987481.db2.gz WAMRMRXFJBBXMX-VWNXMTODSA-N -1 0 604.632 5.089 1 0 KKAFRM O=C([O-])Cc1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978707 561988003 /nfs/dbraw/zinc/98/80/03/561988003.db2.gz LIKCFBAAJFMUJP-UHFFFAOYSA-N -1 0 541.525 7.358 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(C[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028978865 561988063 /nfs/dbraw/zinc/98/80/63/561988063.db2.gz ZYMRRMBDQNYMRR-UHFFFAOYSA-N -1 0 537.507 5.007 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000029042614 561991672 /nfs/dbraw/zinc/99/16/72/561991672.db2.gz IDSGPTAKWHAXDL-UHFFFAOYSA-N -1 0 502.523 5.063 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])c1 ZINC000029045244 561992388 /nfs/dbraw/zinc/99/23/88/561992388.db2.gz NOVRKZNBTPUNRI-SANMLTNESA-N -1 0 518.610 5.897 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])cc1 ZINC000029045864 561992752 /nfs/dbraw/zinc/99/27/52/561992752.db2.gz KIAYYQXSCFRAQS-AOYPEHQESA-N -1 0 520.626 5.629 1 0 KKAFRM O=C([O-])c1ccc(NCc2ccc(-c3ccc(OC[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cc2)cc1 ZINC000029047110 561993155 /nfs/dbraw/zinc/99/31/55/561993155.db2.gz UHZQGNFLFNZCMB-WJOKGBTCSA-N -1 0 556.569 5.500 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000029057247 561995266 /nfs/dbraw/zinc/99/52/66/561995266.db2.gz PFLYGUVSYKOZAT-QMOBXOPCSA-N -1 0 696.801 6.535 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(CC(=O)[O-])c2)C1=O ZINC000029063911 561996320 /nfs/dbraw/zinc/99/63/20/561996320.db2.gz WWXMQBRXCZTGTK-UHFFFAOYSA-N -1 0 562.667 5.459 1 0 KKAFRM O=C([O-])c1nc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1Cc1ccc2ccccc2c1 ZINC000029128619 562001133 /nfs/dbraw/zinc/00/11/33/562001133.db2.gz XPUZRMVUMASOEU-QFIPXVFZSA-N -1 0 530.433 5.685 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000029058870 561995436 /nfs/dbraw/zinc/99/54/36/561995436.db2.gz AWOGJGCWCWKEES-NKPLSRDGSA-N -1 0 577.678 5.283 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2F)cc1 ZINC000029131293 562003030 /nfs/dbraw/zinc/00/30/30/562003030.db2.gz JPKSUJLETAQYNG-UHFFFAOYSA-N -1 0 683.201 7.912 1 0 KKAFRM O=C([O-])CCC/C=C/c1cc(Cc2cccnc2)cc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029202886 562004764 /nfs/dbraw/zinc/00/47/64/562004764.db2.gz RSQAZQBGWOZCCY-KLWTWKFNSA-N -1 0 525.070 5.430 1 0 KKAFRM O=C([O-])CS[C@@](CCCc1ccccc1)(CCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000029203395 562004805 /nfs/dbraw/zinc/00/48/05/562004805.db2.gz YPNHLLDCUZLMTI-BHVANESWSA-N -1 0 561.747 8.483 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212423 562005931 /nfs/dbraw/zinc/00/59/31/562005931.db2.gz JWDCXDPQLHRBFQ-VSGBNLITSA-N -1 0 691.697 5.587 1 0 KKAFRM CN(C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000029213168 562006069 /nfs/dbraw/zinc/00/60/69/562006069.db2.gz IYPQGGAZCDEUJO-VSGBNLITSA-N -1 0 641.596 5.690 1 0 KKAFRM O=C([O-])[C@H](CC(=O)Nc1cccc2ccccc21)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214692 562006219 /nfs/dbraw/zinc/00/62/19/562006219.db2.gz CJCJUHIKMMSLOK-WDYNHAJCSA-N -1 0 681.617 5.806 1 0 KKAFRM CN(Cc1ccccc1)C(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029215299 562006392 /nfs/dbraw/zinc/00/63/92/562006392.db2.gz QQNDAJPOISGIAK-NSOVKSMOSA-N -1 0 673.638 5.063 1 0 KKAFRM CN(C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccccc1C(=O)[O-] ZINC000029214947 562006400 /nfs/dbraw/zinc/00/64/00/562006400.db2.gz ZCYXMVBVGDGXKN-HSZRJFAPSA-N -1 0 574.505 5.416 1 0 KKAFRM CN(C(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1cccc2ccccc21 ZINC000029216280 562006432 /nfs/dbraw/zinc/00/64/32/562006432.db2.gz FLNLFYXXUZEJAA-KYJUHHDHSA-N -1 0 709.671 6.221 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2c1CCCC2 ZINC000029216640 562006663 /nfs/dbraw/zinc/00/66/63/562006663.db2.gz UOBAAOMIWCFYNW-XZWHSSHBSA-N -1 0 699.676 5.922 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029217340 562006695 /nfs/dbraw/zinc/00/66/95/562006695.db2.gz VKYBCBMSAYASIX-HSZRJFAPSA-N -1 0 560.478 5.392 1 0 KKAFRM COc1ccc([C@H](Cc2ccncc2)c2ccc([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1OC1CCCC1 ZINC000029232710 562009413 /nfs/dbraw/zinc/00/94/13/562009413.db2.gz BTUWFPWOMKRTNQ-HSZRJFAPSA-N -1 0 618.624 7.283 1 0 KKAFRM CCCCc1nc(C(F)(F)F)c(C(=O)[O-])n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1 ZINC000029315910 562012457 /nfs/dbraw/zinc/01/24/57/562012457.db2.gz ROQIJVWXWPDPKX-UHFFFAOYSA-N -1 0 509.492 5.115 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CN1CCC=C(C(=O)[O-])C1 ZINC000029346791 562016369 /nfs/dbraw/zinc/01/63/69/562016369.db2.gz ITNLJNOCMCBLCA-IMKBVMFZSA-N -1 0 702.893 5.287 1 0 KKAFRM CCC[S@](=O)c1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029347478 562016473 /nfs/dbraw/zinc/01/64/73/562016473.db2.gz BUURXBWZMBAAGF-SRKBSBODSA-N -1 0 555.871 5.315 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347934 562016617 /nfs/dbraw/zinc/01/66/17/562016617.db2.gz DOIVJLSCACGVGR-OYJRYQEDSA-N -1 0 616.663 6.400 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000029389419 562016954 /nfs/dbraw/zinc/01/69/54/562016954.db2.gz AHQZELTWZVBLCX-ZBJMMJAPSA-N -1 0 618.264 9.523 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@H]4CC[C@@]3(C)[C@H]12 ZINC000029403049 562020119 /nfs/dbraw/zinc/02/01/19/562020119.db2.gz FILHRDIXAYLUHH-IWMLYEDDSA-N -1 0 540.697 5.665 1 0 KKAFRM Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)[O-])cc3c2CCN(CCCCc2ccc(O)cc2)C(=O)OCc2ccccc2)c1 ZINC000029410592 562021608 /nfs/dbraw/zinc/02/16/08/562021608.db2.gz QVSWFIZIIRXEIY-UHFFFAOYSA-N -1 0 590.720 8.060 1 0 KKAFRM O=C1N(Cc2ccc3ccccc3c2)[C@@H](Cc2ccccc2)[P@](=O)([O-])[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1 ZINC000029415372 562022794 /nfs/dbraw/zinc/02/27/94/562022794.db2.gz YZEPJBCNRONXEK-MAZIBIHTSA-N -1 0 610.694 8.839 1 0 KKAFRM O=C([O-])[C@@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)CC1(C(=O)NCc2ccccc2)CCCCC1 ZINC000029417404 562023273 /nfs/dbraw/zinc/02/32/73/562023273.db2.gz PZVUUGVWSTZNBB-DEOSSOPVSA-N -1 0 512.606 5.184 1 0 KKAFRM COCCn1cc(Cc2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21 ZINC000029471619 562025705 /nfs/dbraw/zinc/02/57/05/562025705.db2.gz ZYFXZSJLWGWRDB-UHFFFAOYSA-N -1 0 605.713 5.497 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1c(C(C)=O)ccc(OCCCCCC(=O)[O-])c1CCC ZINC000029475371 562026274 /nfs/dbraw/zinc/02/62/74/562026274.db2.gz IPUAPZIXPYVKRA-UHFFFAOYSA-N -1 0 542.669 6.574 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1Cc1cn(C2CCCC2)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029475717 562026461 /nfs/dbraw/zinc/02/64/61/562026461.db2.gz PSXXROFKDTZLRT-UHFFFAOYSA-N -1 0 615.752 6.966 1 0 KKAFRM CCCc1c(OCCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029487943 562028719 /nfs/dbraw/zinc/02/87/19/562028719.db2.gz WJVCTWDPIDDNBR-RUZDIDTESA-N -1 0 512.599 5.546 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CCC2(CCC(C(=O)[O-])CC2)O3)ccc(C(C)=O)c1O ZINC000029488824 562028994 /nfs/dbraw/zinc/02/89/94/562028994.db2.gz CHFRBSNLYHOCEW-UHFFFAOYSA-N -1 0 566.691 6.717 1 0 KKAFRM CCCc1c(OCc2cccc(COc3cc4c(cc3C(C)=O)CC[C@H](C(=O)[O-])O4)c2)ccc(C(C)=O)c1O ZINC000029489684 562029211 /nfs/dbraw/zinc/02/92/11/562029211.db2.gz UAARQLSCDQQHJS-HHHXNRCGSA-N -1 0 532.589 5.686 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@](CCC)(C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545837 562029758 /nfs/dbraw/zinc/02/97/58/562029758.db2.gz DLBQNJVBPUWMLS-WJOKGBTCSA-N -1 0 540.653 6.327 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(=O)CC)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545784 562029767 /nfs/dbraw/zinc/02/97/67/562029767.db2.gz IPSSDZOAOOSGHM-RUZDIDTESA-N -1 0 512.599 5.546 1 0 KKAFRM CCCc1c(OCCCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029546954 562030100 /nfs/dbraw/zinc/03/01/00/562030100.db2.gz DPAYVPBBTWWISM-AREMUKBSSA-N -1 0 526.626 5.936 1 0 KKAFRM CCCc1c(O)c(C(C)=O)cc(Cl)c1OCCCCCOc1cc2c(cc1C(C)=O)CC[C@H](C(=O)[O-])O2 ZINC000029547122 562030264 /nfs/dbraw/zinc/03/02/64/562030264.db2.gz QVSDLEYKKGQAPN-HSZRJFAPSA-N -1 0 533.017 5.810 1 0 KKAFRM Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029553982 562031669 /nfs/dbraw/zinc/03/16/69/562031669.db2.gz SVIJTQZVPOULGV-RPBOFIJWSA-N -1 0 531.674 6.419 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc([C@H](CC(=O)[O-])c2ncnn2C)cc1 ZINC000034603392 562039141 /nfs/dbraw/zinc/03/91/41/562039141.db2.gz KHYIJRUIJBGUBK-IBGZPJMESA-N -1 0 502.518 5.451 1 0 KKAFRM O=C([O-])CCCC/C=C(/c1cccnc1)c1ccccc1C1=N[C@@H](C(=O)NCCCCC2CCCCC2)CO1 ZINC000029566429 562034506 /nfs/dbraw/zinc/03/45/06/562034506.db2.gz XJQSQMOUIAVWJO-CWJUKMOQSA-N -1 0 531.697 6.171 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)NCc2ccccc2)c1 ZINC000034717759 562039996 /nfs/dbraw/zinc/03/99/96/562039996.db2.gz NNNRPKMCCBNBJH-UHFFFAOYSA-N -1 0 513.594 5.288 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)OC(C)C)c1 ZINC000034717770 562040003 /nfs/dbraw/zinc/04/00/03/562040003.db2.gz QLZAMMQCUXFOTM-UHFFFAOYSA-N -1 0 542.632 6.590 1 0 KKAFRM Cc1oc(-c2ccc(Oc3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)OC(C)C)c1 ZINC000034717773 562040010 /nfs/dbraw/zinc/04/00/10/562040010.db2.gz MAINKGNWZLMMRF-UHFFFAOYSA-N -1 0 558.631 6.716 1 0 KKAFRM Cc1ccc(-n2nccc2OCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000035015743 562044500 /nfs/dbraw/zinc/04/45/00/562044500.db2.gz DVQFQVWVWYCDHS-UHFFFAOYSA-N -1 0 510.377 5.799 1 0 KKAFRM CN1c2ccc(I)cc2C(=O)N([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000036184580 562050151 /nfs/dbraw/zinc/05/01/51/562050151.db2.gz NFQDVKDBCGSJQN-SFTDATJTSA-N -1 0 595.220 5.584 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCCCC(=O)[O-])CC[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 ZINC000035570560 562045186 /nfs/dbraw/zinc/04/51/86/562045186.db2.gz YHNBTCXZHZSNSH-YTVBWUHWSA-N -1 0 542.801 7.557 1 0 KKAFRM CC(C)(C)OC(=O)c1c(O)c(C(F)(F)F)ccc1COc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1 ZINC000035802841 562045326 /nfs/dbraw/zinc/04/53/26/562045326.db2.gz XWHRMVBUKJEZFY-UHFFFAOYSA-N -1 0 502.485 6.239 1 0 in-vitro KKAFRM COc1cccc(CC(=O)[O-])c1OCCCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl ZINC000035802945 562045334 /nfs/dbraw/zinc/04/53/34/562045334.db2.gz KEUHGGAIQSDJNM-UHFFFAOYSA-N -1 0 507.414 5.673 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(C2CCCCC2)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190268 562051010 /nfs/dbraw/zinc/05/10/10/562051010.db2.gz ZNLLTPHWTFPWCF-LJQANCHMSA-N -1 0 500.060 6.299 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc5ccc(Cl)cc5n4)c2c(Br)c1)[C@H](CC(=O)[O-])CC3 ZINC000036190291 562051156 /nfs/dbraw/zinc/05/11/56/562051156.db2.gz BLCSPVPYFJDQID-AWEZNQCLSA-N -1 0 547.858 5.562 1 0 KKAFRM C[C@H](CC[C@H](SCCCC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)[O-] ZINC000036268336 562052347 /nfs/dbraw/zinc/05/23/47/562052347.db2.gz ZEPLUTQFLQVBBH-PHUQWHCOSA-N -1 0 526.142 8.275 1 0 KKAFRM CC(C)(O)c1ccccc1CS[C@@H](CCC1(CC(=O)[O-])CC1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268348 562052354 /nfs/dbraw/zinc/05/23/54/562052354.db2.gz UDPHGGQHHMQJGF-YTTGMZPUSA-N -1 0 588.213 8.910 1 0 KKAFRM C[C@H](CCC[C@@H](SCCC(=O)N(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268359 562052466 /nfs/dbraw/zinc/05/24/66/562052466.db2.gz OKYFZWKLDADBIG-PYXOCCPRSA-N -1 0 525.114 7.202 1 0 KKAFRM CN(C)C(=O)CCS[C@H](SCCC(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268489 562052522 /nfs/dbraw/zinc/05/25/22/562052522.db2.gz NIXBZRJGJRDATK-AREMUKBSSA-N -1 0 517.116 6.091 1 0 KKAFRM CC[C@@H](CS[C@@H](CCc1ccccc1S(C)(=O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268478 562052553 /nfs/dbraw/zinc/05/25/53/562052553.db2.gz GEOZHTBWXVDYEL-LGGPFLRQSA-N -1 0 598.186 7.389 1 0 KKAFRM C[C@@H](CC[C@@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268524 562052716 /nfs/dbraw/zinc/05/27/16/562052716.db2.gz OEBOGVZKAGANGB-AFMDSPMNSA-N -1 0 529.102 6.611 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)[O-] ZINC000037866897 562062292 /nfs/dbraw/zinc/06/22/92/562062292.db2.gz VQHXXVVACURCEZ-UHFFFAOYSA-N -1 0 562.466 7.199 1 0 KKAFRM Cc1ccc(OCc2ccccc2)c(CCCc2ccccc2CCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000036349264 562057966 /nfs/dbraw/zinc/05/79/66/562057966.db2.gz HGXLFRQXTJDGCO-UHFFFAOYSA-N -1 0 533.715 6.249 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)cc1)n2C1CCCCC1 ZINC000036350371 562058097 /nfs/dbraw/zinc/05/80/97/562058097.db2.gz SOPBXOVESODUSC-UHFFFAOYSA-N -1 0 538.594 8.353 1 0 KKAFRM CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036351398 562058227 /nfs/dbraw/zinc/05/82/27/562058227.db2.gz QBXYWHIXDJHRAS-UHFFFAOYSA-N -1 0 549.590 6.039 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1F)n2C1CCCCC1 ZINC000036350440 562058238 /nfs/dbraw/zinc/05/82/38/562058238.db2.gz SYHTXZXOPOUOID-UHFFFAOYSA-N -1 0 520.604 8.292 1 0 KKAFRM Cc1ncc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000036350449 562058266 /nfs/dbraw/zinc/05/82/66/562058266.db2.gz HWABCDVJANLNTO-UHFFFAOYSA-N -1 0 553.062 7.905 1 0 KKAFRM CCCC[C@@H](CC)N(Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000036351415 562058387 /nfs/dbraw/zinc/05/83/87/562058387.db2.gz BDIVWXZQXHNQRQ-OAQYLSRUSA-N -1 0 523.552 5.793 1 0 KKAFRM Cc1ccccc1-c1onc(-c2cccc(CC(=O)[O-])c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866940 562062357 /nfs/dbraw/zinc/06/23/57/562062357.db2.gz MAJGTGCBCFNXIJ-UHFFFAOYSA-N -1 0 525.388 6.060 1 0 KKAFRM O=C([O-])CCc1cccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c1 ZINC000037866962 562062361 /nfs/dbraw/zinc/06/23/61/562062361.db2.gz PKQSISYCYNVSDW-UHFFFAOYSA-N -1 0 516.229 6.740 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036387339 562060228 /nfs/dbraw/zinc/06/02/28/562060228.db2.gz OMQYXIFYRVYNRE-OZXSUGGESA-N -1 0 511.571 5.039 3 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036387343 562060245 /nfs/dbraw/zinc/06/02/45/562060245.db2.gz JUTSABRJDZTGKX-ZEQRLZLVSA-N -1 0 501.963 5.376 3 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036748838 562061161 /nfs/dbraw/zinc/06/11/61/562061161.db2.gz OMDFUCVEWRHQGW-NSOVKSMOSA-N -1 0 654.692 6.242 1 0 KKAFRM CCCc1c(OCCCn2ccc3ccc(OC(C)(C)C(=O)[O-])cc32)ccc2cc(C(=O)c3ccccc3)ccc21 ZINC000036757871 562061319 /nfs/dbraw/zinc/06/13/19/562061319.db2.gz HQIHXWNBZYLGKO-UHFFFAOYSA-N -1 0 549.667 7.689 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000038145761 562064520 /nfs/dbraw/zinc/06/45/20/562064520.db2.gz OYHABGPNVIGQPM-ZEQRLZLVSA-N -1 0 520.409 6.329 3 0 KKAFRM Cc1c(Oc2ccc(Cl)cc2)c2ccc(Cl)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)[O-])c1 ZINC000040393697 562074095 /nfs/dbraw/zinc/07/40/95/562074095.db2.gz QPQUZLITXBXYLW-AWEZNQCLSA-N -1 0 505.785 6.997 1 0 KKAFRM CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000040566785 562077968 /nfs/dbraw/zinc/07/79/68/562077968.db2.gz DMPHLXCNYAYZNW-PUYMTUQZSA-N -1 0 526.802 8.585 1 0 KKAFRM COc1ccc(-c2ccc(C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)[O-])o2)cc1 ZINC000040567220 562077985 /nfs/dbraw/zinc/07/79/85/562077985.db2.gz FKXMLKCACUZGFO-PLFWPOPISA-N -1 0 525.711 7.291 1 0 KKAFRM CCOC[C@H]1C[C@@](CC(C)C)(C(=O)[O-])N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000040576912 562078308 /nfs/dbraw/zinc/07/83/08/562078308.db2.gz BSBUQUPCVMXAIX-ZHCYEPILSA-N -1 0 502.677 5.559 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cc1ccc(OCCCCOc2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000040874048 562081933 /nfs/dbraw/zinc/08/19/33/562081933.db2.gz PUYAFJOFBUWJFM-UHFFFAOYSA-N -1 0 503.639 5.576 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCC(=O)CC2)c(C)c1 ZINC000040900459 562083365 /nfs/dbraw/zinc/08/33/65/562083365.db2.gz LDMYDNLCENLSDU-SANMLTNESA-N -1 0 501.583 5.351 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)NCCCCCC(=O)[O-])cc3)C[C@@]21C ZINC000042805700 562089253 /nfs/dbraw/zinc/08/92/53/562089253.db2.gz CAGNWRAPFLBXLB-CTBBFHLNSA-N -1 0 572.746 6.131 1 0 KKAFRM CC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)[C@H]2CC(C)(C)CC[C@]12C(=O)[O-] ZINC000042806042 562089409 /nfs/dbraw/zinc/08/94/09/562089409.db2.gz ZVUFWBWAZNPNAT-LMUYBSRQSA-N -1 0 556.784 7.346 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1[C@@H](O)C(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@]21C(=O)[O-] ZINC000042806753 562089855 /nfs/dbraw/zinc/08/98/55/562089855.db2.gz CTQRAHWNNVEBTE-SJKNEWIFSA-N -1 0 584.794 6.030 1 0 KKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c(CCc2cccc(-c3c[nH]c(C4(C)CCCC4)c3)c2)c1=O ZINC000103533241 560050939 /nfs/dbraw/zinc/05/09/39/560050939.db2.gz SLQLEUDFKWUZIO-UHFFFAOYSA-N -1 0 550.631 6.983 1 0 biogenic,in-vitro KKAFRM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)C1CCCCC1 ZINC000085595267 560064075 /nfs/dbraw/zinc/06/40/75/560064075.db2.gz MCMMNLRSZAHMMD-IGBNUOBPSA-N -1 0 534.605 5.515 1 0 biogenic,in-vitro KKAFRM COc1ccc2cc1-c1cc(ccc1O)/C=C\c1ccc(c(O)c1Cl)-c1cc(Cl)c([O-])c(Cl)c1CC2 ZINC000085947359 560066262 /nfs/dbraw/zinc/06/62/62/560066262.db2.gz YHYFZZPAXLZZLU-KXFIGUGUSA-N -1 0 539.842 8.375 1 0 biogenic,in-vitro KKAFRM CC1=C(C)[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000085648193 560067004 /nfs/dbraw/zinc/06/70/04/560067004.db2.gz MXPIENYJLBJTAC-CGKVBPRXSA-N -1 0 586.810 5.617 1 0 biogenic,in-vitro KKAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OCCC4(O)CCCCC4)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569417 560069996 /nfs/dbraw/zinc/06/99/96/560069996.db2.gz FTBUWYWLPAVVPS-UHFFFAOYSA-N -1 0 558.671 6.830 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@]23CO[C@@]1(O)C[C@H](O)[C@H]2[C@]1(C)CC[C@]24CCC[C@@]1(CC3)[C@@]2(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]14 ZINC000085530684 560073392 /nfs/dbraw/zinc/07/33/92/560073392.db2.gz ZEZXDQLADXJYFN-OHJLTVBVSA-N -1 0 542.801 6.937 1 0 biogenic,in-vitro KKAFRM C[C@H]1[C@]2(O)CC[C@]3(CO)[C@]1(CO2)CC[C@H]1[C@@]3(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000085530814 560073400 /nfs/dbraw/zinc/07/34/00/560073400.db2.gz DXSKAGSGGNQKEZ-VFVZBCCASA-N -1 0 502.736 6.014 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CC[C@@H](CCC(=O)[O-])CCC(C)C)CCc2ccccc2CC1 ZINC000085490798 560075435 /nfs/dbraw/zinc/07/54/35/560075435.db2.gz YRVZPOIUNRKXTM-VKOKVINFSA-N -1 0 570.855 7.806 1 0 biogenic,in-vitro KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(N4CCSCC4)cc32)cc1 ZINC000043021952 562644943 /nfs/dbraw/zinc/64/49/43/562644943.db2.gz ACQLGBLHSISSGU-BQYQJAHWSA-N -1 0 619.743 5.688 1 0 KKAFRM COCCOCOc1cc(C)c(-c2ccc(/C=C/C(=O)[O-])cc2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000043059283 562645116 /nfs/dbraw/zinc/64/51/16/562645116.db2.gz FVDNFTXROHQVTA-GQCTYLIASA-N -1 0 511.058 6.880 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2Cc2ccc(C(=O)[O-])cc2)c1 ZINC000043077373 562645760 /nfs/dbraw/zinc/64/57/60/562645760.db2.gz LSFNFWWXXQOPLW-UHFFFAOYSA-N -1 0 535.427 8.052 1 0 KKAFRM Cc1cc(C)c(C(=O)N[C@@H](Cc2ccc(N3CCC(c4ccc5c(n4)NCCC5)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000043171692 562646554 /nfs/dbraw/zinc/64/65/54/562646554.db2.gz RWENQEHCTSXFGI-NDEPHWFRSA-N -1 0 526.681 5.175 1 0 KKAFRM Cc1ccc(F)cc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000043202031 562646905 /nfs/dbraw/zinc/64/69/05/562646905.db2.gz WRDAJCAOSGLLQW-SFTDATJTSA-N -1 0 557.981 5.690 1 0 KKAFRM O=C([O-])c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)c(F)c1 ZINC000043206468 562647053 /nfs/dbraw/zinc/64/70/53/562647053.db2.gz MRVUTCGFXDGVGC-VWLOTQADSA-N -1 0 559.947 7.371 1 0 in-vitro KKAFRM COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)[O-])CC4)cc2[C@H](OC)C(C)(C)C)c(F)cn1 ZINC000043208050 562647139 /nfs/dbraw/zinc/64/71/39/562647139.db2.gz GQSWMVKSEBWUCW-IGYGKHONSA-N -1 0 521.629 6.888 1 0 KKAFRM CCC(/C=C/[C@@H]1OC(=O)C=C(C)C1(C)C)=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)[O-] ZINC000043531530 562649111 /nfs/dbraw/zinc/64/91/11/562649111.db2.gz XXPBZIZZROFNAV-FQWKGNFQSA-N -1 0 584.794 6.537 1 0 KKAFRM COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)cc1 ZINC000043524526 562649113 /nfs/dbraw/zinc/64/91/13/562649113.db2.gz SBQZKKBGRNQKBM-FOLYQEOCSA-N -1 0 616.883 9.507 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000043532117 562649227 /nfs/dbraw/zinc/64/92/27/562649227.db2.gz BONHCZDILBGAIY-GFDPGFINSA-N -1 0 630.760 10.215 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@H](CCCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000043532141 562649251 /nfs/dbraw/zinc/64/92/51/562649251.db2.gz OOZQULFFJCGJIN-MRLTYDNFSA-N -1 0 630.760 10.215 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@@H](c3ccc(O)cc3)C2)c(C)cc1OCC(=O)[O-] ZINC000044031953 562651668 /nfs/dbraw/zinc/65/16/68/562651668.db2.gz RLVBTZVVBPDNPQ-HHHXNRCGSA-N -1 0 540.572 5.083 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-])[C@H]3[C@@H]1CC[C@@H]2O ZINC000044031935 562651672 /nfs/dbraw/zinc/65/16/72/562651672.db2.gz DNVRUIXYIAQHJP-VEPYNSQVSA-N -1 0 602.725 9.025 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cccc(Br)c4)c3)C2)cc1OC1CCCC1 ZINC000044032178 562651755 /nfs/dbraw/zinc/65/17/55/562651755.db2.gz UWWNAQKCKYLEIQ-FQEVSTJZSA-N -1 0 585.520 6.100 1 0 KKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044032116 562651780 /nfs/dbraw/zinc/65/17/80/562651780.db2.gz ZUMUOUAXROXUAT-UHFFFAOYSA-N -1 0 537.254 6.317 1 0 KKAFRM CCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1OC(=O)CC ZINC000044093601 562652273 /nfs/dbraw/zinc/65/22/73/562652273.db2.gz MFUJFOHBPFEKPO-JYGFULGCSA-N -1 0 584.838 7.982 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NCC(=O)[O-])CC[C@]23C)C1(C)C ZINC000044281104 562652996 /nfs/dbraw/zinc/65/29/96/562652996.db2.gz TZXJPQVQFICCLQ-ZGVOUPHESA-N -1 0 555.800 6.777 1 0 KKAFRM COc1ccc2[nH]cc([C@@H](CC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c3ccc(C(F)(F)F)cc3)c2c1 ZINC000044281727 562653199 /nfs/dbraw/zinc/65/31/99/562653199.db2.gz WOMQQFFQGCEMRG-QCDSWUKFSA-N -1 0 605.613 6.360 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCCCCCCCCc1cccc(CC(=O)[O-])c1)[C@@H]2O ZINC000044304958 562653306 /nfs/dbraw/zinc/65/33/06/562653306.db2.gz QEBZYNWRSKNFDJ-SZGKLDLPSA-N -1 0 588.873 9.386 1 0 KKAFRM CCCc1cc(C)c(NC(=O)Nc2cc(-c3ccc(F)c(F)c3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000044306420 562653733 /nfs/dbraw/zinc/65/37/33/562653733.db2.gz QVYCWEMVWQKRJH-OLILMLBXSA-N -1 0 595.687 7.232 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cccc(OS(=O)(=O)[O-])c1 ZINC000044351352 562654651 /nfs/dbraw/zinc/65/46/51/562654651.db2.gz PJNBSXDFCHZWHW-RKUFTFBESA-N -1 0 582.891 11.009 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c7ccccc7oc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044351610 562654774 /nfs/dbraw/zinc/65/47/74/562654774.db2.gz UPHPMBJKVQRTIX-HIFHRDMOSA-N -1 0 530.793 9.269 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000044358756 562655374 /nfs/dbraw/zinc/65/53/74/562655374.db2.gz QYNZDAXHBDWWFS-BECYFJCGSA-N -1 0 602.856 8.469 1 0 in-vivo KKAFRM CC(C)c1onc(CSc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044403921 562656330 /nfs/dbraw/zinc/65/63/30/562656330.db2.gz NAIHAYGSHRTGKM-MDZDMXLPSA-N -1 0 588.940 9.498 1 0 KKAFRM CC(C)c1onc(-c2ccc(S(C)(=O)=O)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404524 562656462 /nfs/dbraw/zinc/65/64/62/562656462.db2.gz AAXFUEIVDMVUPT-BQYQJAHWSA-N -1 0 586.493 7.623 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc(-c3ccc(F)cc3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000044417420 562657086 /nfs/dbraw/zinc/65/70/86/562657086.db2.gz XGTWUMJDHFUSBH-HRFSGMKKSA-N -1 0 549.643 6.449 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2cc(C)n(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1)c1ccccc1 ZINC000045387752 562662463 /nfs/dbraw/zinc/66/24/63/562662463.db2.gz IYSIDRMGJXZLKY-PMERELPUSA-N -1 0 502.614 7.244 1 0 KKAFRM C[C@@H](c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1)N(CC(=O)[O-])C(=O)Oc1ccccc1 ZINC000049054253 562663861 /nfs/dbraw/zinc/66/38/61/562663861.db2.gz FYFCGMAYMIUANE-SFHVURJKSA-N -1 0 506.942 6.221 1 0 KKAFRM Cc1cccc([C@@H](NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](NC(=O)c2ccc3ccccc3n2)C(=O)[O-])c2cc3ccccc3[nH]2)c1 ZINC000049605944 562666465 /nfs/dbraw/zinc/66/64/65/562666465.db2.gz XAFJDWKTWYKYHX-LLTUZPTNSA-N -1 0 711.819 5.372 1 0 KKAFRM COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cccc2nccnc21 ZINC000049678551 562668551 /nfs/dbraw/zinc/66/85/51/562668551.db2.gz AICFYCNTUWZWAG-NRFANRHFSA-N -1 0 656.317 5.153 1 0 KKAFRM O=C(CCc1csc2ncc(/C=C/c3ccc4ccccc4c3)n12)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049694399 562669320 /nfs/dbraw/zinc/66/93/20/562669320.db2.gz TZNFMBDUGKRJDL-SOFGYWHQSA-N -1 0 562.525 6.525 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC=C(C)C)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1OCC=C(C)C ZINC000049694816 562669779 /nfs/dbraw/zinc/66/97/79/562669779.db2.gz IFEIUFUMDATZMQ-NHZFLZHXSA-N -1 0 616.663 6.443 1 0 KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)[C@@H](C)c1cc([O-])c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049746826 562674645 /nfs/dbraw/zinc/67/46/45/562674645.db2.gz LLMOSORHDJFKHF-DMULZOQTSA-N -1 0 576.771 5.435 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC([O-])=NC(=O)Oc3ccccc3)cc(C)c2O1 ZINC000049757330 562675901 /nfs/dbraw/zinc/67/59/01/562675901.db2.gz MBDNGOVQURDPMB-RSVBHVOPSA-N -1 0 559.747 9.566 1 0 KKAFRM COC1=CC=C(c2ccc(Cn3c4ccc(OC[C@@H]5Cc6ccccc6N5C(C)=O)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)NN1 ZINC000049757373 562675937 /nfs/dbraw/zinc/67/59/37/562675937.db2.gz MUJIRJPENBHUAI-LJAQVGFWSA-N -1 0 694.898 7.527 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@@H]3CCCN3S(C)(=O)=O)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049757427 562675971 /nfs/dbraw/zinc/67/59/71/562675971.db2.gz JRLMGDHOCCVCQR-QFIPXVFZSA-N -1 0 607.238 6.690 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(c1)c(SC)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000049771196 562677989 /nfs/dbraw/zinc/67/79/89/562677989.db2.gz CDIKORAYWDUOQC-SSEXGKCCSA-N -1 0 548.708 7.966 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(CC(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049771515 562678159 /nfs/dbraw/zinc/67/81/59/562678159.db2.gz RQYQTTBFZQRGEJ-MHZLTWQESA-N -1 0 587.160 7.551 1 0 KKAFRM CCO[C@H](Cc1ccc(OCc2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)cc1)C(=O)[O-] ZINC000049774615 562678676 /nfs/dbraw/zinc/67/86/76/562678676.db2.gz WHYOEMGDHWLQND-XMMPIXPASA-N -1 0 557.590 7.116 1 0 KKAFRM O=C([O-])c1ccc(CNc2nc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)cn3ccnc23)cc1 ZINC000049774632 562678683 /nfs/dbraw/zinc/67/86/83/562678683.db2.gz KOMBODFBKQOZRA-UHFFFAOYSA-N -1 0 546.509 6.369 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049774870 562678803 /nfs/dbraw/zinc/67/88/03/562678803.db2.gz CTXSAOLIPRDNRU-UHFFFAOYSA-N -1 0 573.589 7.514 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)nc1 ZINC000049775206 562678923 /nfs/dbraw/zinc/67/89/23/562678923.db2.gz IMJQBYPSOUJJAJ-UHFFFAOYSA-N -1 0 615.366 8.675 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049776223 562679282 /nfs/dbraw/zinc/67/92/82/562679282.db2.gz SWXMJYPSWZZIQI-UHFFFAOYSA-N -1 0 693.265 8.304 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)[O-] ZINC000049777854 562680602 /nfs/dbraw/zinc/68/06/02/562680602.db2.gz GWKSYJBRKKYKOJ-UHFFFAOYSA-N -1 0 565.691 8.282 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049780201 562681465 /nfs/dbraw/zinc/68/14/65/562681465.db2.gz JOYLQSJSOGYNLV-UHFFFAOYSA-N -1 0 598.643 7.717 1 0 KKAFRM C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000049780653 562682014 /nfs/dbraw/zinc/68/20/14/562682014.db2.gz LOXTXYPNYNYQRX-STMXVASLSA-N -1 0 569.388 5.579 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049781026 562682532 /nfs/dbraw/zinc/68/25/32/562682532.db2.gz MKYKWIGWLDLXHQ-UHFFFAOYSA-N -1 0 562.622 7.290 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049781319 562682928 /nfs/dbraw/zinc/68/29/28/562682928.db2.gz MIJAHTQGYKTVHG-FNORWQNLSA-N -1 0 590.293 5.610 1 0 KKAFRM COc1cc([C@H]2CC(c3c([O-])c4ccccc4oc3=O)=NN2C(=S)Nc2ccccc2)cc(OC)c1OC ZINC000049783825 562683233 /nfs/dbraw/zinc/68/32/33/562683233.db2.gz JLKQIBXPIBZHLD-HXUWFJFHSA-N -1 0 531.590 5.073 1 0 KKAFRM C[C@H](CCCC[N-]S(=O)(=O)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000049808376 562686626 /nfs/dbraw/zinc/68/66/26/562686626.db2.gz LDVNOKFGFVESNJ-PGPDLQSMSA-N -1 0 507.659 5.207 1 0 KKAFRM CO[C@@H]1CC2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n3[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000049784399 562683596 /nfs/dbraw/zinc/68/35/96/562683596.db2.gz PPUYQISPVMXQHC-HKURADSDSA-N -1 0 578.621 5.561 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cnc3ccccc3c2)cc1 ZINC000049785525 562684015 /nfs/dbraw/zinc/68/40/15/562684015.db2.gz RBLGGONSDQRIHM-UHFFFAOYSA-N -1 0 512.587 6.385 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc4c(c3)C[C@@H](C(=O)[O-])O4)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049785795 562684116 /nfs/dbraw/zinc/68/41/16/562684116.db2.gz MFCORXDLLLGYGU-QFIPXVFZSA-N -1 0 527.520 6.472 1 0 KKAFRM O=C([O-])COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)/C(=C/c3cccc(F)c3)CCC2)c1 ZINC000049793340 562684742 /nfs/dbraw/zinc/68/47/42/562684742.db2.gz ODOQDNXIJAFGSJ-XWEVCOCKSA-N -1 0 570.617 5.224 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(F)cc3)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049793521 562684929 /nfs/dbraw/zinc/68/49/29/562684929.db2.gz VKHJXUQEHGJNIQ-USDTVRPUSA-N -1 0 548.595 5.416 1 0 KKAFRM COc1ccc2c(c1)nc(-c1csc(NC(C)C)n1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCCCC(=O)N2C1 ZINC000049833350 562687704 /nfs/dbraw/zinc/68/77/04/562687704.db2.gz WYGFTMUKUVJYRT-SMLYOSRCSA-N -1 0 647.798 5.405 1 0 KKAFRM COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)ccc1O ZINC000049841225 562688168 /nfs/dbraw/zinc/68/81/68/562688168.db2.gz LOYUSEWSBJOCNL-DAKVFCDHSA-N -1 0 648.881 8.039 1 0 KKAFRM CC(C)CCn1c2ccccc2nc1Cn1c2ccccc2n(Cc2cc(I)c([O-])c(I)c2)c1=O ZINC000049853609 562689024 /nfs/dbraw/zinc/68/90/24/562689024.db2.gz QPTUOOBYAGSGMI-UHFFFAOYSA-N -1 0 692.339 6.210 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(COC(=O)/C=C\c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000049853708 562689073 /nfs/dbraw/zinc/68/90/73/562689073.db2.gz SWEBUECVVVXRRV-ODEFISLNSA-N -1 0 650.853 6.118 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 ZINC000049867216 562689365 /nfs/dbraw/zinc/68/93/65/562689365.db2.gz LSVQRPZKIHNTEO-LJAQVGFWSA-N -1 0 533.584 5.425 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3cccc(Cl)c3)ccc2o1 ZINC000049881606 562690968 /nfs/dbraw/zinc/69/09/68/562690968.db2.gz KTMDKBANBIGQKI-UHFFFAOYSA-N -1 0 551.986 7.136 1 0 KKAFRM O=C([O-])COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2Cl)c2c1CCCC2 ZINC000049881781 562691129 /nfs/dbraw/zinc/69/11/29/562691129.db2.gz VBPHFCWYMBATTC-UHFFFAOYSA-N -1 0 522.972 7.431 1 0 KKAFRM CN(CCc1c2cc(Cl)ccc2n(C(c2ccccc2)c2ccccc2)c1CCNS(=O)(=O)Cc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000049881865 562691224 /nfs/dbraw/zinc/69/12/24/562691224.db2.gz ANFXRSPEUGAOQI-UHFFFAOYSA-N -1 0 692.281 7.972 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@@H]3C(=O)NC(C)C)nc2-c2ccc(C)cc2)c1 ZINC000049889025 562691707 /nfs/dbraw/zinc/69/17/07/562691707.db2.gz XEPDAVKYYAQBPR-UUWRZZSWSA-N -1 0 645.760 5.953 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CC2CCCCC2)cc1 ZINC000049899441 562693122 /nfs/dbraw/zinc/69/31/22/562693122.db2.gz BPYRLNDDCNPMSI-UHFFFAOYSA-N -1 0 685.286 8.294 1 0 KKAFRM CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCC(C)CC2)nn1 ZINC000049938106 562695126 /nfs/dbraw/zinc/69/51/26/562695126.db2.gz JBHKFKOTLMXOEA-QUXQRXTKSA-N -1 0 647.798 6.223 1 0 KKAFRM CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1)n1cc([C@@](C)(NC(=O)c2ccccc2)C2CCCCC2)nn1 ZINC000049942300 562695413 /nfs/dbraw/zinc/69/54/13/562695413.db2.gz OBAKLFISKPTOFJ-WJVKJDHCSA-N -1 0 627.742 5.916 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053226512 562696549 /nfs/dbraw/zinc/69/65/49/562696549.db2.gz FGYRQQJFMPUQSP-FMCGGJTJSA-N -1 0 544.412 6.516 1 0 KKAFRM CCCC[C@@H](Sc1nc(OCCc2ccc(C(F)(F)F)cc2)cc(OCCc2ccc(C(F)(F)F)cc2)n1)C(=O)[O-] ZINC000053276546 562697097 /nfs/dbraw/zinc/69/70/97/562697097.db2.gz KWJPWFIDIAXISF-JOCHJYFZSA-N -1 0 602.597 7.493 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4ccc(F)c(OC(F)(F)F)c4)c(F)s3)cc2Cl)CC1 ZINC000053276556 562697100 /nfs/dbraw/zinc/69/71/00/562697100.db2.gz PGZXOQNIRPPTTO-UHFFFAOYSA-N -1 0 562.904 5.589 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Br)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053296523 562697379 /nfs/dbraw/zinc/69/73/79/562697379.db2.gz DIZUNDABYMSZKT-KSEXSDGBSA-N -1 0 572.408 6.111 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053312464 562697572 /nfs/dbraw/zinc/69/75/72/562697572.db2.gz ABGXPXJMRRMUKP-QQXSKIMKSA-N -1 0 531.630 6.506 1 0 KKAFRM CCCc1sc(NC(=O)c2cnc(N3CCC(C(=O)[O-])CC3)c(Cl)c2)nc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000053314017 562697670 /nfs/dbraw/zinc/69/76/70/562697670.db2.gz DOKGKJDLDGCVES-UHFFFAOYSA-N -1 0 570.996 6.522 1 0 KKAFRM CC(C)C(=O)O[C@@H](C)OP(=O)(O[C@H](C)OC(=O)C(C)C)[C@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000058522921 562698556 /nfs/dbraw/zinc/69/85/56/562698556.db2.gz FAMWYRPHFNHNHC-DRLORSAXSA-N -1 0 614.650 6.332 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)c(O)c(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12 ZINC000058538144 562698798 /nfs/dbraw/zinc/69/87/98/562698798.db2.gz IFMCFYHIGJSTHT-UHFFFAOYSA-N -1 0 518.319 5.754 1 0 KKAFRM O=C([O-])c1ccc(OCc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C(F)(F)F)cc1 ZINC000058568459 562699467 /nfs/dbraw/zinc/69/94/67/562699467.db2.gz JOZXHDKXAOETJV-UHFFFAOYSA-N -1 0 579.358 7.796 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)[C@@H]2OCO[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)[O-])n(Cc2ccccc2)n1 ZINC000058574818 562699603 /nfs/dbraw/zinc/69/96/03/562699603.db2.gz VOYBRZYJCDABSR-LXLYTFERSA-N -1 0 695.600 5.607 1 0 KKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](Cc5ccc(C(=O)[O-])cc5)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058677939 562701460 /nfs/dbraw/zinc/70/14/60/562701460.db2.gz JXRDWURPPWGCAN-HUCCIOIHSA-N -1 0 522.814 8.636 1 0 KKAFRM Cc1cc(C(=O)Nc2cc(C3(C(=O)[O-])CC3)ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 ZINC000059649038 562702127 /nfs/dbraw/zinc/70/21/27/562702127.db2.gz IPTWJYYQBCMAJP-FQEVSTJZSA-N -1 0 521.013 5.602 1 0 KKAFRM O=C([O-])c1ccc(Sc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 ZINC000059635340 562702138 /nfs/dbraw/zinc/70/21/38/562702138.db2.gz BZKHTWAGPLWPPO-LJAQVGFWSA-N -1 0 572.731 5.553 1 0 KKAFRM COc1ccc2c(c1)OCCn1c3cc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)ccc3c(C3CCCCC3)c1-2 ZINC000059820132 562702414 /nfs/dbraw/zinc/70/24/14/562702414.db2.gz POBKXGYBUXMVNC-LICLKQGHSA-N -1 0 633.745 7.146 1 0 KKAFRM O=C([O-])C=Cc1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4nc[nH]c4CCC3)CCCC2)cc1 ZINC000059826559 562702429 /nfs/dbraw/zinc/70/24/29/562702429.db2.gz FIUGOXFMIXUHOI-SFQUDFHCSA-N -1 0 605.739 6.804 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ncc(C)cc5C)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000060326424 562702649 /nfs/dbraw/zinc/70/26/49/562702649.db2.gz ZVFGQEHAFRQOQZ-UHFFFAOYSA-N -1 0 637.846 8.895 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(Cl)cc(Cl)c1 ZINC000060328556 562702817 /nfs/dbraw/zinc/70/28/17/562702817.db2.gz QSWOAJPLPBXEMV-FQEVSTJZSA-N -1 0 585.915 7.637 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000061947072 562704020 /nfs/dbraw/zinc/70/40/20/562704020.db2.gz KZZJITXKFFTQAW-IGKIAQTJSA-N -1 0 507.608 5.209 3 0 KKAFRM CCCCOc1ccc(-c2c(F)ccc(C(=O)[O-])c2F)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000064245795 562704666 /nfs/dbraw/zinc/70/46/66/562704666.db2.gz FJLHBOXYGKPKMI-UHFFFAOYSA-N -1 0 525.445 6.597 1 0 KKAFRM C[C@H](Nc1ccc(C(=O)[O-])cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000064348832 562704742 /nfs/dbraw/zinc/70/47/42/562704742.db2.gz XHLLNJOYHVNYNF-AWEZNQCLSA-N -1 0 592.401 8.390 1 0 KKAFRM C[C@@](O)(c1ccc(Cl)cc1)c1ccc(Cl)c(CCOc2ccc(-c3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000064513487 562706445 /nfs/dbraw/zinc/70/64/45/562706445.db2.gz SNNAEGQGFRLGPM-GDLZYMKVSA-N -1 0 507.413 7.236 1 0 KKAFRM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)CCC(=O)[O-] ZINC000064573060 562708607 /nfs/dbraw/zinc/70/86/07/562708607.db2.gz FWGQRQWAXVJPIK-WEXDNREDSA-N -1 0 546.789 7.426 1 0 KKAFRM O=C([O-])CCCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066058906 562709203 /nfs/dbraw/zinc/70/92/03/562709203.db2.gz LORODLFSXFMEIM-UHFFFAOYSA-N -1 0 607.507 6.657 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@@H](O)c1cccc(F)c1Cl ZINC000066066030 562709241 /nfs/dbraw/zinc/70/92/41/562709241.db2.gz NSDMPRXBJOCOJX-QLXKLKPCSA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1cc(F)ccc1Cl ZINC000066074018 562709683 /nfs/dbraw/zinc/70/96/83/562709683.db2.gz QKCQWTVPEPGGDL-WGDIFIGCSA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)[O-])ncc3c2)cc1 ZINC000066078427 562710419 /nfs/dbraw/zinc/71/04/19/562710419.db2.gz ROJOQLBAMYTRQQ-UHFFFAOYSA-N -1 0 533.411 8.264 1 0 KKAFRM O=C([O-])Cc1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)cc1 ZINC000066080256 562710717 /nfs/dbraw/zinc/71/07/17/562710717.db2.gz OIQZHSZBMGTVJJ-MHZLTWQESA-N -1 0 537.994 7.022 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@H](O)c1cccc(F)c1Cl ZINC000066097836 562710845 /nfs/dbraw/zinc/71/08/45/562710845.db2.gz UGZXATUGMYMVNN-AREMUKBSSA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)n1cnc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])c1 ZINC000066104227 562711683 /nfs/dbraw/zinc/71/16/83/562711683.db2.gz ZRGQDLKQXUUCDI-NRFANRHFSA-N -1 0 563.869 5.048 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCCC(=O)Nc2ccc(Br)c3ccccc23)nn1 ZINC000066111784 562711854 /nfs/dbraw/zinc/71/18/54/562711854.db2.gz RCFXXZPHWUVKNW-UHFFFAOYSA-N -1 0 611.452 7.097 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCCCCC(=O)Nc2cccc3ccccc32)nn1 ZINC000066112689 562712092 /nfs/dbraw/zinc/71/20/92/562712092.db2.gz VYMHCGZOHIDWKL-UHFFFAOYSA-N -1 0 560.610 7.114 1 0 KKAFRM O=C([O-])[C@@H](Sc1nc(Cl)cc(Nc2ccc3c(c2)Cc2ccccc2-3)n1)c1cccc2ccccc21 ZINC000066136570 562713229 /nfs/dbraw/zinc/71/32/29/562713229.db2.gz IJYPMVFBKQEZRI-MHZLTWQESA-N -1 0 510.018 7.516 1 0 KKAFRM Cc1cc(-c2ccc3nc(C(=O)[O-])ccc3c2)ccc1OCc1c(-c2c(Cl)cccc2Cl)noc1C(C)C ZINC000066157567 562713986 /nfs/dbraw/zinc/71/39/86/562713986.db2.gz COUCYNBGRBQJNM-UHFFFAOYSA-N -1 0 547.438 8.573 1 0 KKAFRM CCOc1ccccc1C[C@@H]1C(=O)N(C(=O)NC(c2ccccc2)c2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000066258641 562714990 /nfs/dbraw/zinc/71/49/90/562714990.db2.gz JMLCERQHDFMHKR-DLFZDVPBSA-N -1 0 550.611 5.689 1 0 KKAFRM C/C(=C\c1cc(-c2ccc(OCc3cc(C(=O)NCCO)ccc3-c3ccc(Cl)cc3)cc2)n(C2CCCCC2)n1)C(=O)[O-] ZINC000071281400 562716646 /nfs/dbraw/zinc/71/66/46/562716646.db2.gz QXWKUYFDBRJEOM-FCDQGJHFSA-N -1 0 614.142 7.165 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000071295264 562717227 /nfs/dbraw/zinc/71/72/27/562717227.db2.gz GVHYRTFPNQDWBE-UHFFFAOYSA-N -1 0 528.992 6.504 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000071296098 562717409 /nfs/dbraw/zinc/71/74/09/562717409.db2.gz BACKTPGVIQXXFD-UHFFFAOYSA-N -1 0 563.437 7.157 1 0 KKAFRM Cc1cc(S(=O)(=O)N(CCC(C)C)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] ZINC000071296921 562717634 /nfs/dbraw/zinc/71/76/34/562717634.db2.gz NKKHDYJGPIYHBG-UHFFFAOYSA-N -1 0 535.584 6.386 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(F)c1F ZINC000071315864 562717758 /nfs/dbraw/zinc/71/77/58/562717758.db2.gz GQUZSWXGQZBOPQ-KRWDZBQOSA-N -1 0 538.012 6.441 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(F)c1Cl ZINC000071317043 562718087 /nfs/dbraw/zinc/71/80/87/562718087.db2.gz JCKONFFWFPEJAV-KRWDZBQOSA-N -1 0 554.467 6.955 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071329202 562718852 /nfs/dbraw/zinc/71/88/52/562718852.db2.gz OVHGVXGIHHVKIC-LJQANCHMSA-N -1 0 584.056 7.490 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071329293 562718893 /nfs/dbraw/zinc/71/88/93/562718893.db2.gz CCXPJULYZFZEGR-LJQANCHMSA-N -1 0 584.056 7.490 1 0 KKAFRM CC(C)Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000071332454 562719394 /nfs/dbraw/zinc/71/93/94/562719394.db2.gz WMVARAJDYJPPJP-SFQUDFHCSA-N -1 0 595.740 7.850 1 0 KKAFRM Cc1cccc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)n1 ZINC000071340620 562719810 /nfs/dbraw/zinc/71/98/10/562719810.db2.gz ZWXIFZFOIJCSNO-HMMYKYKNSA-N -1 0 578.713 6.841 1 0 KKAFRM O=C([O-])COc1ccc2[nH]c(C(=O)COc3ccc(SCCCCCc4ccccc4)cc3)nc2c1 ZINC000071341777 562720052 /nfs/dbraw/zinc/72/00/52/562720052.db2.gz NHWQQXAPRLRQCK-UHFFFAOYSA-N -1 0 504.608 5.793 1 0 KKAFRM COc1ccc(S(=O)(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)[O-])cc1OC ZINC000071342043 562720077 /nfs/dbraw/zinc/72/00/77/562720077.db2.gz BRNOJWVIXNJAOQ-FYKVXSFUSA-N -1 0 525.733 5.588 1 0 KKAFRM O=C([O-])CN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071416540 562720195 /nfs/dbraw/zinc/72/01/95/562720195.db2.gz YSGIOKQJNISPCR-NOZRDPDXSA-N -1 0 594.263 5.842 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl ZINC000072112608 562722116 /nfs/dbraw/zinc/72/21/16/562722116.db2.gz ZTQFWIHDGMZBBP-IBGZPJMESA-N -1 0 522.960 5.334 1 0 KKAFRM O=C([O-])c1c(C(=O)NC2(c3noc(C(F)(F)F)n3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072112644 562722156 /nfs/dbraw/zinc/72/21/56/562722156.db2.gz INOFGZKAASFNKR-UHFFFAOYSA-N -1 0 586.741 6.019 1 0 KKAFRM CN1C[C@@H](COc2ccc(C(=O)Nc3cc(CC(=O)[O-])ccc3Cl)c(Cl)c2)Oc2ccccc21 ZINC000072113268 562722286 /nfs/dbraw/zinc/72/22/86/562722286.db2.gz UQHKLJCYYLWRGF-KRWDZBQOSA-N -1 0 501.366 5.149 1 0 KKAFRM COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCC(C(=O)[O-])CC2)c(OC(C)C)c1 ZINC000072113701 562722473 /nfs/dbraw/zinc/72/24/73/562722473.db2.gz AOOPKPSXUALIGS-VMPREFPWSA-N -1 0 610.538 7.251 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000072116970 562723279 /nfs/dbraw/zinc/72/32/79/562723279.db2.gz CCICSAGMQVXOBL-UHFFFAOYSA-N -1 0 586.710 6.145 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000072118433 562723524 /nfs/dbraw/zinc/72/35/24/562723524.db2.gz HDGPOQZYPDDFCY-UHFFFAOYSA-N -1 0 615.546 5.755 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)CCC[C@H]3C(=O)[O-])cc1 ZINC000072125782 562725187 /nfs/dbraw/zinc/72/51/87/562725187.db2.gz JIDHQMZZLQPWHY-HSZRJFAPSA-N -1 0 536.455 8.522 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)CCC[C@@H]3C(=O)[O-])cc1 ZINC000072125781 562725190 /nfs/dbraw/zinc/72/51/90/562725190.db2.gz JIDHQMZZLQPWHY-QHCPKHFHSA-N -1 0 536.455 8.522 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)C[C@H](C(=O)[O-])C3)cc1 ZINC000072125184 562725215 /nfs/dbraw/zinc/72/52/15/562725215.db2.gz NECTWCGVXCXHKE-OAQYLSRUSA-N -1 0 522.428 7.817 1 0 KKAFRM COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCC(C)(C)CO)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000072142751 562729619 /nfs/dbraw/zinc/72/96/19/562729619.db2.gz BYZHPRQGQDAZSO-WKRVVKTRSA-N -1 0 647.209 5.310 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@@](O)(CCN4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1 ZINC000072147669 562729791 /nfs/dbraw/zinc/72/97/91/562729791.db2.gz BLSOYCQPNQMTPH-UUWRZZSWSA-N -1 0 650.997 7.047 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(S(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000072148951 562729997 /nfs/dbraw/zinc/72/99/97/562729997.db2.gz RINXQDUPDMEAJJ-UHFFFAOYSA-N -1 0 685.293 6.403 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000072179719 562732374 /nfs/dbraw/zinc/73/23/74/562732374.db2.gz RLLAFSQEXHJADT-UHFFFAOYSA-N -1 0 512.414 6.358 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])cc4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1 ZINC000073156079 562733833 /nfs/dbraw/zinc/73/38/33/562733833.db2.gz FTMCPIVKJKWNQD-UHFFFAOYSA-N -1 0 549.671 7.086 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ncccc5C)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073160544 562734058 /nfs/dbraw/zinc/73/40/58/562734058.db2.gz COAQRGYDJFLOJB-UHFFFAOYSA-N -1 0 623.819 8.587 1 0 KKAFRM CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])cc(C(F)(F)F)c3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000073166342 562734501 /nfs/dbraw/zinc/73/45/01/562734501.db2.gz JARYTXGULREKGW-UHFFFAOYSA-N -1 0 595.043 6.104 1 0 KKAFRM CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(F)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000073195986 562735030 /nfs/dbraw/zinc/73/50/30/562735030.db2.gz JAEXKMRLWGRKSK-QHCPKHFHSA-N -1 0 596.621 7.615 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000073197111 562735275 /nfs/dbraw/zinc/73/52/75/562735275.db2.gz ICTLZGMOBMLQDQ-IVECXGJCSA-N -1 0 521.723 7.814 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073198488 562735735 /nfs/dbraw/zinc/73/57/35/562735735.db2.gz WMGJGWKGRCCRQX-UHFFFAOYSA-N -1 0 591.708 6.700 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1COCc1ccccc1)C(=O)[O-] ZINC000073199410 562735982 /nfs/dbraw/zinc/73/59/82/562735982.db2.gz GIQAKEWUKKCXSD-VNYVIAJZSA-N -1 0 549.777 7.739 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(=O)n(Cc2ccc(Cl)c(O[C@H](C)C(=O)[O-])c2)c2ccc(C(F)(F)F)cc21 ZINC000073200101 562736123 /nfs/dbraw/zinc/73/61/23/562736123.db2.gz CRDQKIJLEBIBBV-CYBMUJFWSA-N -1 0 561.900 5.514 1 0 KKAFRM O=C([O-])COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1 ZINC000073222493 562736394 /nfs/dbraw/zinc/73/63/94/562736394.db2.gz ZZXUPECLXIJHQB-UHFFFAOYSA-N -1 0 507.630 6.447 1 0 KKAFRM CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000073223340 562736468 /nfs/dbraw/zinc/73/64/68/562736468.db2.gz JCGXAJBKICRLNV-QVRASMHWSA-N -1 0 512.775 8.050 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(C)cc3)ccc2c1 ZINC000073296078 562737685 /nfs/dbraw/zinc/73/76/85/562737685.db2.gz HMSLGOKXIPFSNC-YTTGMZPUSA-N -1 0 583.710 6.999 1 0 KKAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc4ccccc4c3)c2)n1 ZINC000073298161 562737760 /nfs/dbraw/zinc/73/77/60/562737760.db2.gz PKTGJPBPSDSGSS-LRDZJWBWSA-N -1 0 544.698 5.904 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3cccc(Cl)c3)ccc2c1 ZINC000073312475 562737883 /nfs/dbraw/zinc/73/78/83/562737883.db2.gz HBFYNAWTDNJGSA-HKBQPEDESA-N -1 0 604.128 7.344 1 0 KKAFRM CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])C[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2OC(C)=O)[C@@]1(C)CC3 ZINC000082181637 562741840 /nfs/dbraw/zinc/74/18/40/562741840.db2.gz JBMORHZTYFJYCP-RTVSSJBVSA-N -1 0 718.925 6.260 1 0 KKAFRM O=C1CS[C@]2(CC(/C=C/c3cccc(Br)c3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000082182140 562742096 /nfs/dbraw/zinc/74/20/96/562742096.db2.gz HCYBZDCNGQICFG-TYBKAHOSSA-N -1 0 627.567 6.019 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(Cl)c(Cl)c3)ccc2c1 ZINC000082186041 562742355 /nfs/dbraw/zinc/74/23/55/562742355.db2.gz MQEWXLXNPFYGFW-HKBQPEDESA-N -1 0 638.573 7.998 1 0 KKAFRM CSc1ccc(/C=C2\N=C(c3ccccc3)N([N-]C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3-c3nc4ccccc4[nH]3)C2=O)cc1 ZINC000082196686 562742765 /nfs/dbraw/zinc/74/27/65/562742765.db2.gz ABXXNGNVPYECNJ-QNGOZBTKSA-N -1 0 667.405 8.540 1 0 KKAFRM COc1ccc([C@H](Cc2ccc(-c3nc(C(=O)[O-])cs3)cc2)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000084596407 562743687 /nfs/dbraw/zinc/74/36/87/562743687.db2.gz BQGLHEJGIKPTFZ-QFIPXVFZSA-N -1 0 501.539 6.081 1 0 KKAFRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cc(Nc4cccc(C(F)(F)F)c4)ncn3)cc2)c1 ZINC000084597054 562743914 /nfs/dbraw/zinc/74/39/14/562743914.db2.gz AGOBCXWITBRFNR-UHFFFAOYSA-N -1 0 530.528 5.724 1 0 KKAFRM CC(=O)C[C@@]1(O)C(=O)c2oc3cc4c(c(=O)c-3c([O-])c2C(CC=C(C)C)(CC=C(C)C)C1=O)C=CC(C)(C)O4 ZINC000084603940 562744211 /nfs/dbraw/zinc/74/42/11/562744211.db2.gz VDCUEILRTFTERJ-WJOKGBTCSA-N -1 0 534.605 5.109 1 0 KKAFRM Cn1cc(-c2c3n(c(=O)c(CN4CCOCC4)c2COc2cccc4ccccc42)[C@H](C(=O)[O-])CS3)c2ccccc21 ZINC000084652104 562746405 /nfs/dbraw/zinc/74/64/05/562746405.db2.gz LWRXSBFBICPPLQ-NDEPHWFRSA-N -1 0 581.694 5.303 1 0 KKAFRM CS(=O)(=O)c1cc(Cl)cc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084654204 562747218 /nfs/dbraw/zinc/74/72/18/562747218.db2.gz GPGCGKYPWDTDDC-QHCPKHFHSA-N -1 0 649.936 5.421 1 0 KKAFRM CC(C)n1c2cc3ccc2c(C2CCCCC2)c1-c1ccccc1OCC(=O)N(C)CCOCCN(C)S(=O)(=O)[N-]C3=O ZINC000084668573 562747669 /nfs/dbraw/zinc/74/76/69/562747669.db2.gz DVGLDTMGPLXQCH-UHFFFAOYSA-N -1 0 610.777 5.286 1 0 KKAFRM O=C([O-])[C@@H]1CSc2c(-c3cn([C@H](CO)Cc4ccccc4)nn3)c(Cc3cccc4ccccc43)c(Br)c(=O)n21 ZINC000084668929 562747838 /nfs/dbraw/zinc/74/78/38/562747838.db2.gz QSTXRVMWPRPXOZ-OFVILXPXSA-N -1 0 617.525 5.121 1 0 KKAFRM CCCN(Cc1ccc(OCCCCCC(=O)[O-])cc1)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000084669908 562748130 /nfs/dbraw/zinc/74/81/30/562748130.db2.gz IPUPLLIGPSTAFK-UHFFFAOYSA-N -1 0 503.595 6.159 1 0 KKAFRM CC1(C)c2c(ccc3ccccc23)[N+](CCC(=O)[O-])=C1/C=C/C=C/C=C/C=C1/N(CCC(=O)[O-])c2ccc3ccccc3c2C1(C)C ZINC000084671610 562748626 /nfs/dbraw/zinc/74/86/26/562748626.db2.gz WKEOTLJATWJLPG-UHFFFAOYSA-O -1 0 625.789 8.669 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCn3cc(COC(C)(C)C(=O)[O-])nn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084703787 562749788 /nfs/dbraw/zinc/74/97/88/562749788.db2.gz YSFNQHFBBNZOQK-AOYPEHQESA-N -1 0 567.042 5.370 1 0 KKAFRM COc1ccc(C[C@H](Sc2ccc(OCC(=O)[O-])c(C)c2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000084709165 562750258 /nfs/dbraw/zinc/75/02/58/562750258.db2.gz MTOXHLXMIDXIFJ-VWLOTQADSA-N -1 0 573.658 7.994 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1c(Cl)cccc1Cl)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084710272 562750453 /nfs/dbraw/zinc/75/04/53/562750453.db2.gz OMTXFQXTLSQCDH-XMMPIXPASA-N -1 0 612.522 9.292 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CCCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711145 562750658 /nfs/dbraw/zinc/75/06/58/562750658.db2.gz VDVOIWGYBZKFKO-MUUNZHRXSA-N -1 0 599.740 9.546 1 0 KKAFRM O=C([O-])c1ccc(Cn2cc(-c3ccc(-c4ccccc4COc4cc(C(F)(F)F)ccc4Cl)cc3)nn2)cc1 ZINC000084711656 562750677 /nfs/dbraw/zinc/75/06/77/562750677.db2.gz QRGDMLKERHOVJR-UHFFFAOYSA-N -1 0 563.963 7.610 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084713039 562750873 /nfs/dbraw/zinc/75/08/73/562750873.db2.gz CBABDOYFTDRWNT-RRPNLBNLSA-N -1 0 696.602 5.943 1 0 KKAFRM O=C([O-])[C@@H]1CSc2c(-c3cn(Cc4ccccc4)nn3)c(Cc3cccc4ccccc43)c(Br)c(=O)n21 ZINC000084713322 562750906 /nfs/dbraw/zinc/75/09/06/562750906.db2.gz KLZGOHZPYRDGEZ-QHCPKHFHSA-N -1 0 573.472 5.393 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6sc(Br)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084724602 562751206 /nfs/dbraw/zinc/75/12/06/562751206.db2.gz DKXGTTDPRGNLQX-NXEQSAOGSA-N -1 0 576.685 8.741 1 0 KKAFRM CCCC[C@H](Sc1ccc(OCC(=O)[O-])c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C ZINC000084726587 562751314 /nfs/dbraw/zinc/75/13/14/562751314.db2.gz JYVHKHHKUPLYOZ-NRFANRHFSA-N -1 0 509.615 7.933 1 0 KKAFRM COc1ccc2c(c1)OCC(=O)N(C)CCCCN(C)S(=O)(=O)[N-]C(=O)c1ccc3c(c1)n(C)c-2c3C1CCCCC1 ZINC000084729081 562751521 /nfs/dbraw/zinc/75/15/21/562751521.db2.gz DKMSEBFMMBDLMC-UHFFFAOYSA-N -1 0 596.750 5.014 1 0 KKAFRM COc1ccc(Oc2ccc(CN(Cc3cc(F)cc(F)c3)c3c(Br)cc(CC(=O)[O-])cc3Br)cc2)c(OC)c1 ZINC000084741781 562752210 /nfs/dbraw/zinc/75/22/10/562752210.db2.gz XJHAPIXCBJKKSM-UHFFFAOYSA-N -1 0 677.336 8.133 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000095536767 562754097 /nfs/dbraw/zinc/75/40/97/562754097.db2.gz VVMJPLHVXLEJDP-IKCXEYKWSA-N -1 0 815.615 7.095 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCC(=O)N3CCC[C@@H]3C(=O)NCCCCCCO[P@@](=O)([O-])Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000095539756 562755269 /nfs/dbraw/zinc/75/52/69/562755269.db2.gz PGEFLSVUJFVTNH-LDLOPFEMSA-N -1 0 818.352 7.951 1 0 KKAFRM C[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000095542228 562756567 /nfs/dbraw/zinc/75/65/67/562756567.db2.gz LESAGRXVMYHVQE-SSDOTTSWSA-N -1 0 775.884 5.866 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@@H]2NC(=O)Cc2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)cc1 ZINC000095542794 562756850 /nfs/dbraw/zinc/75/68/50/562756850.db2.gz YCHLGKGFYJXLEH-QAZBPYKKSA-N -1 0 801.858 7.768 1 0 KKAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095548271 562759210 /nfs/dbraw/zinc/75/92/10/562759210.db2.gz QMCNMWXLHAORSY-PMERELPUSA-N -1 0 758.652 5.609 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOc1ncccn1 ZINC000095553714 562761030 /nfs/dbraw/zinc/76/10/30/562761030.db2.gz CBJKZXKXUSTFHL-UHFFFAOYSA-N -1 0 629.699 5.081 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000095554487 562761309 /nfs/dbraw/zinc/76/13/09/562761309.db2.gz YGCDRALNJUASGG-OIDHKYIRSA-N -1 0 626.709 6.353 1 0 KKAFRM C/C(=C\Cc1c([O-])cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O)COC(=O)C=Cc1ccc(O)cc1 ZINC000095554994 562761428 /nfs/dbraw/zinc/76/14/28/562761428.db2.gz NYGXCBFMYAYWBX-QXJXBUPOSA-N -1 0 500.503 5.028 1 0 KKAFRM COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1NC(=O)CCC(=O)[O-] ZINC000095563984 562764166 /nfs/dbraw/zinc/76/41/66/562764166.db2.gz FBAFUJWXJUHEKX-UHFFFAOYSA-N -1 0 534.590 5.187 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000095567853 562766104 /nfs/dbraw/zinc/76/61/04/562766104.db2.gz QNIFPONIZUCPIS-RPWUZVMVSA-N -1 0 502.419 6.190 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000095569134 562767172 /nfs/dbraw/zinc/76/71/72/562767172.db2.gz HKTHGWFQFRLVQC-RPWUZVMVSA-N -1 0 536.864 6.843 3 0 KKAFRM Cc1ccccc1S(=O)(=O)N1[C@@H](c2ccc(Cl)c(Cl)c2)CC=C(C(=O)[O-])[C@@H]1c1cccc(Br)c1 ZINC000095569177 562767252 /nfs/dbraw/zinc/76/72/52/562767252.db2.gz AFNRIGWGCNLZHT-VWNXMTODSA-N -1 0 581.315 6.952 3 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccncc4)c5C4CCCC4)CCC3)ccc21 ZINC000095571751 562769209 /nfs/dbraw/zinc/76/92/09/562769209.db2.gz ALKRFBBDROGDNA-UHFFFAOYSA-N -1 0 589.696 6.379 1 0 KKAFRM COc1cc([C@H]2C[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)[O-])ccc1OC(=O)c1cccs1 ZINC000095572078 562769297 /nfs/dbraw/zinc/76/92/97/562769297.db2.gz LBOBTSAFAAPCBZ-WHLCRQNOSA-N -1 0 552.605 5.064 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)nc1 ZINC000095572191 562769337 /nfs/dbraw/zinc/76/93/37/562769337.db2.gz NGDMGTWEEUQVLK-LICLKQGHSA-N -1 0 592.696 6.296 1 0 KKAFRM COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)C2)cc1OC ZINC000095573723 562769772 /nfs/dbraw/zinc/76/97/72/562769772.db2.gz HPHVUTVHDVFZLO-QFIPXVFZSA-N -1 0 582.000 5.874 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccc(C(F)(F)F)cn1 ZINC000095575290 562770295 /nfs/dbraw/zinc/77/02/95/562770295.db2.gz BNTVMQHBQHBHDF-CXUHLZMHSA-N -1 0 630.667 7.306 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4cocn4)c5C4CCCC4)CCC3)ccc21 ZINC000095577459 562770970 /nfs/dbraw/zinc/77/09/70/562770970.db2.gz CEQGKEGLXPEHCA-UHFFFAOYSA-N -1 0 579.657 5.972 1 0 KKAFRM CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)cs1 ZINC000095577532 562770978 /nfs/dbraw/zinc/77/09/78/562770978.db2.gz QEVYINUJVQNIDJ-LFIBNONCSA-N -1 0 611.768 6.780 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2cccc(OC(F)(F)F)c2)cc1 ZINC000095577854 562771126 /nfs/dbraw/zinc/77/11/26/562771126.db2.gz RNCACLGYECEMTR-UHFFFAOYSA-N -1 0 578.374 6.675 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cocn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095580234 562771806 /nfs/dbraw/zinc/77/18/06/562771806.db2.gz XNHZAEIUEVZCHS-CAPFRKAQSA-N -1 0 566.658 6.270 1 0 KKAFRM CN1CC(n2nccc2-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2Cl)C1 ZINC000095585172 562773515 /nfs/dbraw/zinc/77/35/15/562773515.db2.gz WALRMCVOWIAQSY-UHFFFAOYSA-N -1 0 538.001 5.018 1 0 KKAFRM Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cccnn3)cc2Cl)ccn1 ZINC000095585337 562773549 /nfs/dbraw/zinc/77/35/49/562773549.db2.gz JFGMZYJALNKHMD-UHFFFAOYSA-N -1 0 506.346 5.160 1 0 KKAFRM O=C([O-])c1cccc(OCC2CCN(c3ccc(NC(=O)c4ccc(Oc5ccccc5)cc4)cn3)CC2)c1 ZINC000095585948 562773836 /nfs/dbraw/zinc/77/38/36/562773836.db2.gz LXQZUWRDTHQEMT-UHFFFAOYSA-N -1 0 523.589 6.120 1 0 KKAFRM COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)[O-])cc1OC ZINC000095586996 562774161 /nfs/dbraw/zinc/77/41/61/562774161.db2.gz HTYCVVAAKRVDGM-LKCJCFKCSA-N -1 0 568.622 6.114 1 0 KKAFRM O=C([O-])c1cccc(OCC2CCN(c3ccc(NC(=O)c4cccc(Oc5ccccc5)c4)cn3)CC2)c1 ZINC000095588546 562774690 /nfs/dbraw/zinc/77/46/90/562774690.db2.gz RBDSYHYBFFEKPK-UHFFFAOYSA-N -1 0 523.589 6.120 1 0 KKAFRM O=C([O-])c1cccc(OCC2CCN(c3ccc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)cn3)CC2)c1 ZINC000095590721 562775364 /nfs/dbraw/zinc/77/53/64/562775364.db2.gz AXLOLNMVSWAIGG-UHFFFAOYSA-N -1 0 535.600 5.559 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3cccc(C(=O)[O-])c3)CC2)nc1 ZINC000095591444 562775618 /nfs/dbraw/zinc/77/56/18/562775618.db2.gz MXPRNVBVWZYUBT-UHFFFAOYSA-N -1 0 561.638 7.049 1 0 KKAFRM CCCCCC(=O)[C@@H](c1c([O-])c(CC)c(C)oc1=O)c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O ZINC000095591373 562775624 /nfs/dbraw/zinc/77/56/24/562775624.db2.gz MLHCHYFNKPHMMY-OAQYLSRUSA-N -1 0 500.588 5.326 1 0 KKAFRM O=S(=O)([N-]c1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000095591772 562775771 /nfs/dbraw/zinc/77/57/71/562775771.db2.gz PVGMGRKQQQTCKN-UHFFFAOYSA-N -1 0 547.769 7.807 1 0 KKAFRM CC(C)[C@H](OC(=O)C(C)(C)C)n1nnc(-c2ccccc2-c2ccc(Cc3c(C4CC4)nc4ccccc4c3C(=O)[O-])cc2)n1 ZINC000095592868 562776063 /nfs/dbraw/zinc/77/60/63/562776063.db2.gz WKFGUVQJUCZAPJ-XIFFEERXSA-N -1 0 603.723 7.466 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc([C@H](Nc3ccccc3F)C(=O)N3CCC[C@H]3c3ccccc3F)cc2)cc1 ZINC000095605249 562781467 /nfs/dbraw/zinc/78/14/67/562781467.db2.gz XJXZQMRLKYIBCL-VMPREFPWSA-N -1 0 512.556 6.847 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc([C@@H](Nc3ccccc3F)C(=O)N3CCC[C@H]3c3ccccc3F)cc2)cc1 ZINC000095605248 562781499 /nfs/dbraw/zinc/78/14/99/562781499.db2.gz XJXZQMRLKYIBCL-URLMMPGGSA-N -1 0 512.556 6.847 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)c1cccnc1Cl ZINC000095606038 562781862 /nfs/dbraw/zinc/78/18/62/562781862.db2.gz RGBJFQPBHAZIAX-SFHVURJKSA-N -1 0 743.550 6.482 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)c1cccnc1Cl ZINC000095606090 562781887 /nfs/dbraw/zinc/78/18/87/562781887.db2.gz ZOGFCGGCCRDFHE-SFHVURJKSA-N -1 0 743.550 6.482 1 0 KKAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095606115 562781910 /nfs/dbraw/zinc/78/19/10/562781910.db2.gz FKRJKTJPVBCALX-LVZHEHNUSA-N -1 0 804.989 5.021 1 0 KKAFRM CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)N(C(=O)OCc1ccccc1)CCCCCCCC(=O)[N-]S2(=O)=O ZINC000095606333 562782026 /nfs/dbraw/zinc/78/20/26/562782026.db2.gz JKLBTCRSDDOBRH-UHFFFAOYSA-N -1 0 748.946 9.159 1 0 in-vivo KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](OC(=O)CCC(=O)[O-])c1ccccc1 ZINC000095607441 562782804 /nfs/dbraw/zinc/78/28/04/562782804.db2.gz QSAQIPVKISWRAT-NJHUKAMJSA-N -1 0 615.727 5.286 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000095612036 562785187 /nfs/dbraw/zinc/78/51/87/562785187.db2.gz GYSIPWCTXIVMBA-SNXGKTBFSA-N -1 0 768.600 7.486 1 0 KKAFRM Cc1ccc(Oc2c(/C=C(/C(=O)[O-])c3ccncc3)sc3cc(OCc4ccc(-c5ccccc5)cc4)c(OCc4ccc(-c5ccccc5)cc4)cc32)cn1 ZINC000095615364 562787259 /nfs/dbraw/zinc/78/72/59/562787259.db2.gz WWFOPSFGXYQATO-GLNSOGGISA-N -1 0 752.892 11.909 1 0 KKAFRM O=C([O-])CCc1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000095615924 562787650 /nfs/dbraw/zinc/78/76/50/562787650.db2.gz JRVYMIAGDHBZSX-UHFFFAOYSA-N -1 0 755.358 7.628 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCCOc3ccc(O)c(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617289 562787951 /nfs/dbraw/zinc/78/79/51/562787951.db2.gz JOKBXZDVNPKDTC-IQEGRXIQSA-N -1 0 795.798 5.106 1 0 KKAFRM COc1ccc(C(=O)Cn2c(=O)c3cc(C4CC4)sc3n(Cc3ccc(-c4ccccc4-c4nc(=O)o[n-]4)cc3F)c2=O)cc1 ZINC000096169964 562790935 /nfs/dbraw/zinc/79/09/35/562790935.db2.gz UHRONPPFACYWJT-UHFFFAOYSA-N -1 0 624.650 5.604 1 0 KKAFRM CCCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169989 562791016 /nfs/dbraw/zinc/79/10/16/562791016.db2.gz CJBCXDUFVZNUHD-UHFFFAOYSA-N -1 0 626.666 5.266 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccc(Cl)s1)c2=O ZINC000096169984 562791029 /nfs/dbraw/zinc/79/10/29/562791029.db2.gz CIYMNWNALSVSHM-UHFFFAOYSA-N -1 0 605.097 5.444 1 0 KKAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CCOC(C)(C)C2)c2nc(C)nn21 ZINC000096178258 562792567 /nfs/dbraw/zinc/79/25/67/562792567.db2.gz MWAHGVJGCAYJQF-QHCPKHFHSA-N -1 0 568.678 5.273 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCC(OC[C@@H](C)O)CC2)c2ccnn21 ZINC000096178388 562792636 /nfs/dbraw/zinc/79/26/36/562792636.db2.gz FVRLNNYIBSGEGW-QUVATAORSA-N -1 0 601.679 5.070 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2cccc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(Cl)c1 ZINC000096269885 562793077 /nfs/dbraw/zinc/79/30/77/562793077.db2.gz XWTMRQLTATXZCG-WINIVTDRSA-N -1 0 559.036 5.284 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@]4(C)C[C@H]4C(=O)[O-])c3)cc2C2=CCCC2(C)C)c1 ZINC000096270314 562793199 /nfs/dbraw/zinc/79/31/99/562793199.db2.gz KRJZUTZMXAVQQZ-IUDBTDONSA-N -1 0 500.610 7.646 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(C[C@H]3C(=O)[O-])CC4)cc2C2=CCCC2(C)C)c1 ZINC000096270322 562793211 /nfs/dbraw/zinc/79/32/11/562793211.db2.gz JATIUJDLIVNBMA-ZQAZVOLISA-N -1 0 512.621 7.572 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271139 562793705 /nfs/dbraw/zinc/79/37/05/562793705.db2.gz ZMAXVTAWTZURSH-FLBADVGZSA-N -1 0 681.723 5.921 1 0 KKAFRM C/C(=C\COC(=O)[C@@]1(C)CCc2c(C)c(OCC(=O)[O-])c(C)c(C)c2O1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272098 562793977 /nfs/dbraw/zinc/79/39/77/562793977.db2.gz GLIRWLJIRNITTL-GYHZBCNASA-N -1 0 586.854 9.088 1 0 KKAFRM CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273516 562794571 /nfs/dbraw/zinc/79/45/71/562794571.db2.gz SECAAPFNALWADD-VWLOTQADSA-N -1 0 589.697 5.084 1 0 KKAFRM CC(C)(C)CNC(=O)c1ccc(-c2ccc(OC3CCC3)nc2C(=O)Nc2ccc3c(N)nccc3c2)c(C(=O)[O-])c1 ZINC000096283220 562794830 /nfs/dbraw/zinc/79/48/30/562794830.db2.gz HFSBCRPYYWEFJA-UHFFFAOYSA-N -1 0 567.646 5.537 1 0 KKAFRM O=C([O-])CCCN1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283779 562794956 /nfs/dbraw/zinc/79/49/56/562794956.db2.gz OZPRBKHEJARIRN-XMMPIXPASA-N -1 0 520.416 6.518 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283798 562794984 /nfs/dbraw/zinc/79/49/84/562794984.db2.gz GUTCFCHIXFDARD-QHCPKHFHSA-N -1 0 568.844 6.698 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000096283816 562794998 /nfs/dbraw/zinc/79/49/98/562794998.db2.gz KCLGHAMKAKRLDS-QHCPKHFHSA-N -1 0 544.405 5.500 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cc(F)cc(F)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283801 562795004 /nfs/dbraw/zinc/79/50/04/562795004.db2.gz PPQVEABICSAGNP-HSZRJFAPSA-N -1 0 535.934 5.669 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cc(F)cc(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283800 562795008 /nfs/dbraw/zinc/79/50/08/562795008.db2.gz PPQVEABICSAGNP-QHCPKHFHSA-N -1 0 535.934 5.669 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283832 562795043 /nfs/dbraw/zinc/79/50/43/562795043.db2.gz MDRXWWXBOZYQCX-QHCPKHFHSA-N -1 0 534.399 6.044 1 0 KKAFRM Cc1ccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000096284643 562795234 /nfs/dbraw/zinc/79/52/34/562795234.db2.gz XZVNUQDJPYAEDY-UHFFFAOYSA-N -1 0 716.725 7.566 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccn2)cc1 ZINC000096284664 562795239 /nfs/dbraw/zinc/79/52/39/562795239.db2.gz RUAFAFWFDPGUGD-UHFFFAOYSA-N -1 0 627.763 6.266 1 0 KKAFRM C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096902065 562797226 /nfs/dbraw/zinc/79/72/26/562797226.db2.gz IYVWZLZIAQHKNA-VZIYBJAMSA-N -1 0 525.774 6.947 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nc7ccccc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096903240 562797883 /nfs/dbraw/zinc/79/78/83/562797883.db2.gz JNSSTAHSTVUXID-WIMMKERVSA-N -1 0 597.844 7.646 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCC(=O)[O-])C3 ZINC000096906052 562798668 /nfs/dbraw/zinc/79/86/68/562798668.db2.gz WDGQMQNSWGBMBS-RSVBHVOPSA-N -1 0 551.812 8.993 1 0 KKAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@H](C(=O)[O-])c3ccc(Br)cc3)c2)c(OC)c1 ZINC000096908608 562799398 /nfs/dbraw/zinc/79/93/98/562799398.db2.gz BGSLNYHJOHKPDQ-CJZRDCOESA-N -1 0 607.479 5.134 1 0 KKAFRM COc1cc(-c2nc3sc4c(c3c(=O)n2[C@H](Cc2cc3ccccc3[nH]2)C(=O)[O-])CCCC4)cc(OC)c1OC ZINC000096928928 562802992 /nfs/dbraw/zinc/80/29/92/562802992.db2.gz XYAMOLBNVLXUHT-OAQYLSRUSA-N -1 0 559.644 5.379 1 0 KKAFRM O=C([O-])CCC[N@H+](CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000096938316 562804460 /nfs/dbraw/zinc/80/44/60/562804460.db2.gz JQJQHEDFTNHFHW-UHFFFAOYSA-N -1 0 551.683 6.659 1 0 KKAFRM Cc1ncc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c(-c2ccc(Cl)cc2)n1 ZINC000098084939 562805730 /nfs/dbraw/zinc/80/57/30/562805730.db2.gz DOEJXVPWGCWZNU-UHFFFAOYSA-N -1 0 571.052 8.044 1 0 KKAFRM CC(=O)NCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2n(C)c1=O ZINC000101091437 562809111 /nfs/dbraw/zinc/80/91/11/562809111.db2.gz MWIXZCARDKYENS-VWLOTQADSA-N -1 0 544.449 5.347 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)C=Cc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000101177274 562809682 /nfs/dbraw/zinc/80/96/82/562809682.db2.gz BWIMNVKVJXKONH-VRAYXWLRSA-N -1 0 505.636 5.959 1 0 KKAFRM O=C([O-])[C@H]1CC[C@@H](Oc2ccccc2Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)CC1 ZINC000101209316 562810006 /nfs/dbraw/zinc/81/00/06/562810006.db2.gz DZYZAGBAGWPMOE-DRXOMFTESA-N -1 0 603.581 6.770 1 0 KKAFRM CN1c2cccc(CCC(=O)[N-]S(=O)(=O)c3cc(Cl)c(Cl)s3)c2[C@H](Cc2ccc3ccccc3c2)C1=O ZINC000101302250 562810289 /nfs/dbraw/zinc/81/02/89/562810289.db2.gz GSMAPKFLUHDKRW-FQEVSTJZSA-N -1 0 573.523 5.949 1 0 KKAFRM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1cc(Br)c([O-])c(Br)c1 ZINC000118199341 562830219 /nfs/dbraw/zinc/83/02/19/562830219.db2.gz VLYSMVBTVAWJAR-ZDUSSCGKSA-N -1 0 579.255 5.987 1 0 KKAFRM CCCCc1nc2ccn(Cc3ccc(C(=O)[O-])cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000103195883 562815838 /nfs/dbraw/zinc/81/58/38/562815838.db2.gz YGDYDGDROSOSDT-UHFFFAOYSA-N -1 0 559.630 5.183 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(OC)cc1OC)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103216562 562817141 /nfs/dbraw/zinc/81/71/41/562817141.db2.gz IHMSIUVHOIVXPC-CSJROMOCSA-N -1 0 547.629 5.884 1 0 KKAFRM O=C(Nc1ccc(Cl)c(Cl)c1)c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O ZINC000103216572 562817147 /nfs/dbraw/zinc/81/71/47/562817147.db2.gz NTMMFUDSCYZKKS-UHFFFAOYSA-N -1 0 509.176 6.200 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)s2)NC1=S ZINC000103237146 562818934 /nfs/dbraw/zinc/81/89/34/562818934.db2.gz NIHACTGTTUABDH-GQEMFKIVSA-N -1 0 547.883 5.585 1 0 KKAFRM Cc1ccc(-c2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(OCCCN4CCOCC4)cc3)c2)c2ccccc12 ZINC000103239672 562819361 /nfs/dbraw/zinc/81/93/61/562819361.db2.gz DMAMRXTYIWXNNC-UHFFFAOYSA-N -1 0 560.672 5.415 1 0 KKAFRM CCCCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1O ZINC000103241838 562819640 /nfs/dbraw/zinc/81/96/40/562819640.db2.gz OKPHWBLWBWRKDO-NVROOQTQSA-N -1 0 570.855 8.336 1 0 KKAFRM CCCN(C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])C(=O)c1cccc(-c2ccc(Cl)cc2)c1 ZINC000103242716 562819651 /nfs/dbraw/zinc/81/96/51/562819651.db2.gz QCMJMQHWZUGTMF-DEOSSOPVSA-N -1 0 511.043 5.955 1 0 KKAFRM CC[C@@H](CS(=O)(=O)c1ccccc1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243859 562819723 /nfs/dbraw/zinc/81/97/23/562819723.db2.gz ZDMLNNOTTZAABS-ATBUFXNFSA-N -1 0 588.553 6.784 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3cccc4ccccc43)cs2)n1)C(=O)[O-] ZINC000103250141 562820213 /nfs/dbraw/zinc/82/02/13/562820213.db2.gz VNMVPMVXDBGNOH-HXUWFJFHSA-N -1 0 513.088 7.666 1 0 KKAFRM O=C([O-])Cc1cnc(C(=O)c2ccc(C(=O)NCCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 ZINC000103256246 562820845 /nfs/dbraw/zinc/82/08/45/562820845.db2.gz DEKAJKZBTSPPSU-UHFFFAOYSA-N -1 0 507.373 5.372 1 0 KKAFRM COc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000103264467 562821921 /nfs/dbraw/zinc/82/19/21/562821921.db2.gz FFFQPROXASWICG-UHFFFAOYSA-N -1 0 603.651 5.470 1 0 KKAFRM O=c1oc2ccccc2c([O-])c1C1=NN(c2ccccc2)[C@@H](c2cnn(-c3ccccc3)c2-c2ccccc2O)C1 ZINC000103288281 562823917 /nfs/dbraw/zinc/82/39/17/562823917.db2.gz FBHQGOYLSOBXSJ-HHHXNRCGSA-N -1 0 540.579 6.413 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@@H](Cc3cccc(Cl)c3)C(=O)[O-])CC[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 ZINC000103294896 562824460 /nfs/dbraw/zinc/82/44/60/562824460.db2.gz LTRYLUWOOZHGTA-QWNSIINOSA-N -1 0 652.360 9.005 1 0 KKAFRM 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ZINC000150593103 562846381 /nfs/dbraw/zinc/84/63/81/562846381.db2.gz FKOAYZWYPHGRBN-ZVAGFZNZSA-N -1 0 651.932 11.157 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150596367 562846704 /nfs/dbraw/zinc/84/67/04/562846704.db2.gz UWXFJMKVPQLTQY-QIDXFHPKSA-N -1 0 646.909 9.308 1 0 KKAFRM C=Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600978 562847206 /nfs/dbraw/zinc/84/72/06/562847206.db2.gz BPHCFVNOQDUDLE-UUWRZZSWSA-N -1 0 803.816 7.930 1 0 KKAFRM O=C([O-])c1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCC1CC1 ZINC000150603093 562847380 /nfs/dbraw/zinc/84/73/80/562847380.db2.gz JTKNXLCKQCJQKS-VWLOTQADSA-N -1 0 638.447 6.645 1 0 KKAFRM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1OCc1ccccc1 ZINC000150603099 562847393 /nfs/dbraw/zinc/84/73/93/562847393.db2.gz IEUGAGUQAUJRBX-PMERELPUSA-N -1 0 723.578 7.108 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000150606301 562847913 /nfs/dbraw/zinc/84/79/13/562847913.db2.gz TUIBIKFBMFFAGU-YRRZTRADSA-N -1 0 658.920 9.586 1 0 KKAFRM CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c2cccc3S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1OC(C)=O ZINC000150607864 562848122 /nfs/dbraw/zinc/84/81/22/562848122.db2.gz GFYCGYACKVRKFF-MHWRWJLKSA-N -1 0 680.579 7.076 1 0 KKAFRM COc1cccc(C[C@H](NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(=O)[O-])c1 ZINC000150610045 562848333 /nfs/dbraw/zinc/84/83/33/562848333.db2.gz YYONAJZFXAWGOP-SMGJSYKSSA-N -1 0 647.941 8.360 1 0 KKAFRM CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)[O-])cn2)C[C@H]1CC ZINC000161884690 562849204 /nfs/dbraw/zinc/84/92/04/562849204.db2.gz NRWORBQAOQVYBJ-GJZUVCINSA-N -1 0 722.605 8.670 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165391191 562850188 /nfs/dbraw/zinc/85/01/88/562850188.db2.gz AVBDAXZYBXXPIV-BRXSWJRSSA-N -1 0 778.010 5.051 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165400976 562850207 /nfs/dbraw/zinc/85/02/07/562850207.db2.gz SPBNGSMXZRNPCF-MCEQXHFDSA-N -1 0 768.899 6.043 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165401380 562850210 /nfs/dbraw/zinc/85/02/10/562850210.db2.gz AIARUCQSJGHGPI-YEIYNIIASA-N -1 0 783.992 5.697 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165409497 562850227 /nfs/dbraw/zinc/85/02/27/562850227.db2.gz VROIPRWOKWXWHZ-VEOJMJHISA-N -1 0 753.888 5.875 1 0 KKAFRM CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3Br)cc2)c(CC)c1CC(=O)[O-] ZINC000168885957 562851566 /nfs/dbraw/zinc/85/15/66/562851566.db2.gz WVMZYJGHEIBZRM-UHFFFAOYSA-N -1 0 504.812 5.352 1 0 KKAFRM Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCC(=O)[O-])c[nH]4)c3)cc2F)c1 ZINC000168810401 562851568 /nfs/dbraw/zinc/85/15/68/562851568.db2.gz DAQVINNGRZHSMX-UHFFFAOYSA-N -1 0 517.517 5.165 1 0 KKAFRM CCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3Br)cc2)c(CC)c1CC(=O)[O-] ZINC000168887093 562851580 /nfs/dbraw/zinc/85/15/80/562851580.db2.gz YSQSBTXWFVGFNC-UHFFFAOYSA-N -1 0 520.427 5.851 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C(F)(F)F)N2C)c1 ZINC000169294951 562852301 /nfs/dbraw/zinc/85/23/01/562852301.db2.gz JVAGOTMUORBIKU-ZRBLBEILSA-N -1 0 501.511 7.674 1 0 KKAFRM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(-n3ccc4c3cccc4-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000169307534 562853841 /nfs/dbraw/zinc/85/38/41/562853841.db2.gz DLTAXSACSARUKA-UHFFFAOYSA-N -1 0 536.531 6.815 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(C)(C)C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309640 562854369 /nfs/dbraw/zinc/85/43/69/562854369.db2.gz ZBBQRZDTFXLMBM-VIFXNLTHSA-N -1 0 699.741 8.049 1 0 KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)[C@@H](C)c1cc([O-])c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311635 562855186 /nfs/dbraw/zinc/85/51/86/562855186.db2.gz LLMOSORHDJFKHF-BRGWAUFTSA-N -1 0 576.771 5.435 1 0 KKAFRM CCCc1c(OCc2ccccc2)cccc1OC[C@H](O)COc1ccc2c(=O)cc(C(=O)[O-])oc2c1CCC ZINC000169316403 562855833 /nfs/dbraw/zinc/85/58/33/562855833.db2.gz YBIAUCJNQQICNS-QFIPXVFZSA-N -1 0 546.616 5.794 1 0 KKAFRM C/C(Br)=C\CC/C(C)=C\CC(C)(C)/C=C/C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000169321543 562856691 /nfs/dbraw/zinc/85/66/91/562856691.db2.gz NPAHYGKSENJFFL-QQZRHHPASA-N -1 0 501.465 6.278 1 0 KKAFRM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(/C=C(C)/C=C(/C)C(=O)OCC(=O)[O-])cs1 ZINC000169322010 562856787 /nfs/dbraw/zinc/85/67/87/562856787.db2.gz HUKAVDBFMUKEQS-SFMWDZFWSA-N -1 0 720.848 6.328 1 0 KKAFRM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000169324778 562857441 /nfs/dbraw/zinc/85/74/41/562857441.db2.gz ZXKUXXASSVYJER-UHFFFAOYSA-N -1 0 505.574 5.779 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000169325856 562857671 /nfs/dbraw/zinc/85/76/71/562857671.db2.gz JRKVTGRTOSHNKU-KVBYWJEESA-N -1 0 659.783 6.174 1 0 KKAFRM Cc1cccc([C@H]2N(CC(=O)[O-])C(=O)C[C@@H](c3cccc(Cl)c3)[C@]23C(=O)Nc2cc(Cl)ccc23)c1 ZINC000169327621 562858112 /nfs/dbraw/zinc/85/81/12/562858112.db2.gz YVVMIXUDXKXKSK-BBVXACFBSA-N -1 0 509.389 5.334 1 0 KKAFRM Cc1c(O)ccc2c(OS(=O)(=O)c3ccc4cccnc4c3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349085 562862403 /nfs/dbraw/zinc/86/24/03/562862403.db2.gz QVVADQHQAYDLMP-UHFFFAOYSA-N -1 0 586.622 5.479 1 0 KKAFRM Clc1ccc(-c2coc([N-]c3cc(-c4ccc(Cl)cc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)n2)cc1 ZINC000169350091 562862722 /nfs/dbraw/zinc/86/27/22/562862722.db2.gz KHABMXASKUFKFG-UHFFFAOYSA-N -1 0 564.885 9.022 1 0 KKAFRM CCO[C@H](CNC(=O)c1[nH]c(Br)c(Br)c1Br)c1cc(Br)c([O-])c(Br)c1 ZINC000169352639 562863180 /nfs/dbraw/zinc/86/31/80/562863180.db2.gz XCSKFROGGVIQPX-SECBINFHSA-N -1 0 668.800 6.040 1 0 KKAFRM Cc1noc(C)c1-c1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)[O-])c(-c3ccc4c(c3)CCCO4)c2C)c(F)c1 ZINC000169352749 562863199 /nfs/dbraw/zinc/86/31/99/562863199.db2.gz QGFXVWIUPHWEPN-HKBQPEDESA-N -1 0 558.650 7.709 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)=NC1(C)C ZINC000169700300 562867688 /nfs/dbraw/zinc/86/76/88/562867688.db2.gz NLFLGODHCFRHDH-HHHXNRCGSA-N -1 0 594.539 7.164 1 0 KKAFRM CC(C)C[C@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000169700286 562867701 /nfs/dbraw/zinc/86/77/01/562867701.db2.gz AMJNDQMIEUBXLA-AYWVHJORSA-N -1 0 598.579 6.398 1 0 KKAFRM CC(C)(C)C[C@@H]1N(N(C(=O)C(F)(F)F)C2CC(C)(O)C2)[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000169701417 562868036 /nfs/dbraw/zinc/86/80/36/562868036.db2.gz XIZIOVPHELHJAL-IVUXSSQWSA-N -1 0 662.027 5.524 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)c(Cl)c2)cn1 ZINC000169702699 562868536 /nfs/dbraw/zinc/86/85/36/562868536.db2.gz ZEECXPSTTOCRAS-UHFFFAOYSA-N -1 0 656.410 8.577 1 0 KKAFRM CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3Br)cc2)c(CC)c1CC(=O)[O-] ZINC000169704012 562868895 /nfs/dbraw/zinc/86/88/95/562868895.db2.gz QSAXSJVKPPVMLK-UHFFFAOYSA-N -1 0 500.393 5.195 1 0 KKAFRM COc1ncc(CC(=O)[O-])cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705623 562869515 /nfs/dbraw/zinc/86/95/15/562869515.db2.gz NDWNTOUUHSIIPV-XMMPIXPASA-N -1 0 569.420 6.357 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12 ZINC000199475922 562872989 /nfs/dbraw/zinc/87/29/89/562872989.db2.gz BUAUNSREZVSWFG-FQEVSTJZSA-N -1 0 571.504 8.469 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(C(C)C)c3)cc12 ZINC000199633571 562872999 /nfs/dbraw/zinc/87/29/99/562872999.db2.gz LQAUHHSQKCNYRO-UHFFFAOYSA-N -1 0 530.668 7.725 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C(=O)[O-])cc1 ZINC000200626434 562873400 /nfs/dbraw/zinc/87/34/00/562873400.db2.gz ABIFPJDABNXEMK-JTHBVZDNSA-N -1 0 552.553 5.460 1 0 KKAFRM O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)c1nnn[n-]1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202312375 562873639 /nfs/dbraw/zinc/87/36/39/562873639.db2.gz RSPXBYVZDFZHKB-AREMUKBSSA-N -1 0 550.022 5.461 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1 ZINC000202321450 562873707 /nfs/dbraw/zinc/87/37/07/562873707.db2.gz UCXBGBXPBKOZEO-MHZLTWQESA-N -1 0 542.056 7.226 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2nc(SCc3ccccc3)ccc2n1 ZINC000202324202 562873744 /nfs/dbraw/zinc/87/37/44/562873744.db2.gz OZXCXDNEHYFUFQ-RUZDIDTESA-N -1 0 538.629 5.026 1 0 KKAFRM CC(=O)c1c2ccccc2cnc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203766371 562874100 /nfs/dbraw/zinc/87/41/00/562874100.db2.gz NPQAFMXGAJZAOF-UHFFFAOYSA-N -1 0 544.507 5.430 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H](O)C2)nc1)C1CC1 ZINC000203988437 562874310 /nfs/dbraw/zinc/87/43/10/562874310.db2.gz WRZHKYFKFZLMKD-IBGZPJMESA-N -1 0 518.976 5.702 1 0 KKAFRM C[C@@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204938992 562874636 /nfs/dbraw/zinc/87/46/36/562874636.db2.gz NAEANWXQKKBKNQ-SANMLTNESA-N -1 0 532.584 5.347 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)N2CCCC2)cc1 ZINC000205027258 562874790 /nfs/dbraw/zinc/87/47/90/562874790.db2.gz DJYPTHUNDKQHLI-UHFFFAOYSA-N -1 0 523.441 7.385 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2ccncc2)cc1 ZINC000205036857 562874794 /nfs/dbraw/zinc/87/47/94/562874794.db2.gz HTGPZNZLEQFHCT-UHFFFAOYSA-N -1 0 560.462 7.474 1 0 KKAFRM Cc1cccc(CNC(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)c1 ZINC000205036885 562874822 /nfs/dbraw/zinc/87/48/22/562874822.db2.gz COBXIPLANRIJSZ-UHFFFAOYSA-N -1 0 573.501 8.388 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCC2CCOCC2)cc1 ZINC000205045418 562874862 /nfs/dbraw/zinc/87/48/62/562874862.db2.gz MEYMJYDNEAZQGP-UHFFFAOYSA-N -1 0 567.494 7.306 1 0 KKAFRM COc1cccc(CNC(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)c1 ZINC000205053522 562874907 /nfs/dbraw/zinc/87/49/07/562874907.db2.gz SNHWIUDCZHAFJX-UHFFFAOYSA-N -1 0 589.500 8.088 1 0 KKAFRM O=C([O-])c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000205283211 562875050 /nfs/dbraw/zinc/87/50/50/562875050.db2.gz PZFBUIYFAFMDBM-UHFFFAOYSA-N -1 0 560.553 6.763 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccccc3N)cc12 ZINC000205602665 562875573 /nfs/dbraw/zinc/87/55/73/562875573.db2.gz DSTBIOVZRVCVDJ-UHFFFAOYSA-N -1 0 503.602 6.184 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000205722505 562875844 /nfs/dbraw/zinc/87/58/44/562875844.db2.gz BPUFCCHRWQLTQL-UHFFFAOYSA-N -1 0 519.833 7.235 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000205739997 562875855 /nfs/dbraw/zinc/87/58/55/562875855.db2.gz VHDQETUHAVWKGE-UHFFFAOYSA-N -1 0 518.940 6.947 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N(C)Cc3ccccc3)cc12 ZINC000205979724 562876035 /nfs/dbraw/zinc/87/60/35/562876035.db2.gz OOQAXNXGYWQSIZ-UHFFFAOYSA-N -1 0 502.614 6.944 1 0 KKAFRM Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12 ZINC000205983454 562876087 /nfs/dbraw/zinc/87/60/87/562876087.db2.gz RUTFUHSPYBUOSP-UNMCSNQZSA-N -1 0 563.094 7.090 1 0 KKAFRM Cc1c(C)n([C@@H](C)c2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000205992638 562876113 /nfs/dbraw/zinc/87/61/13/562876113.db2.gz LVDWBOOOLXZMRO-PMVMPFDFSA-N -1 0 524.661 7.088 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccccc3Cl)cc12 ZINC000205997552 562876123 /nfs/dbraw/zinc/87/61/23/562876123.db2.gz UCPKWQLVWHLWLW-UHFFFAOYSA-N -1 0 523.032 7.255 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206010144 562876143 /nfs/dbraw/zinc/87/61/43/562876143.db2.gz BWSVTVVRQBRYCG-FPOVZHCZSA-N -1 0 545.079 7.180 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc12 ZINC000206011187 562876192 /nfs/dbraw/zinc/87/61/92/562876192.db2.gz XBBCZLAGLUBLAQ-UHFFFAOYSA-N -1 0 556.584 7.620 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000210528993 562877021 /nfs/dbraw/zinc/87/70/21/562877021.db2.gz VAQVSMUJBPTVIS-YTMVLYRLSA-N -1 0 583.109 6.227 1 0 KKAFRM 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GSBVVVCQZJHLQM-UHFFFAOYSA-N -1 0 591.605 7.845 1 0 KKAFRM Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)c(F)c1 ZINC000218198345 562877883 /nfs/dbraw/zinc/87/78/83/562877883.db2.gz BTIRZBTVWJSAAN-UHFFFAOYSA-N -1 0 591.605 7.845 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1 ZINC000218220159 562877889 /nfs/dbraw/zinc/87/78/89/562877889.db2.gz HFHYJUFFDJGTLK-KYJUHHDHSA-N -1 0 599.653 8.411 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1 ZINC000218220246 562877893 /nfs/dbraw/zinc/87/78/93/562877893.db2.gz HFHYJUFFDJGTLK-LOYHVIPDSA-N -1 0 599.653 8.411 1 0 KKAFRM COc1cc(OC(F)(F)F)ccc1Cn1c2cc(OCc3ccn(C)n3)ccc2nc1[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000218329674 562877908 /nfs/dbraw/zinc/87/79/08/562877908.db2.gz ISRTVOQDOSGKFC-FCHUYYIVSA-N -1 0 558.557 5.663 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)Cc2ccccc2C1 ZINC000219398272 562878162 /nfs/dbraw/zinc/87/81/62/562878162.db2.gz SHUBMHYJPITNHY-UHFFFAOYSA-N -1 0 618.531 7.387 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(Br)c1)C(=O)[O-] ZINC000219430893 562878195 /nfs/dbraw/zinc/87/81/95/562878195.db2.gz OCVXZKLWQXVALE-UHFFFAOYSA-N -1 0 544.449 6.628 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000219448352 562878219 /nfs/dbraw/zinc/87/82/19/562878219.db2.gz HHPDYWDUZSXTAN-UHFFFAOYSA-N -1 0 515.613 7.018 1 0 KKAFRM C[C@@](Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)(C(=O)[O-])c1ccccc1 ZINC000219432262 562878220 /nfs/dbraw/zinc/87/82/20/562878220.db2.gz HOQGGVVBUPYBCF-UMSFTDKQSA-N -1 0 606.520 7.559 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3C(F)(F)F)cc12 ZINC000220438713 562878474 /nfs/dbraw/zinc/87/84/74/562878474.db2.gz VLRMPBZRUVLWBH-FQEVSTJZSA-N -1 0 638.608 9.200 1 0 KKAFRM Cc1ccc(-c2cccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cc1 ZINC000220524540 562878586 /nfs/dbraw/zinc/87/85/86/562878586.db2.gz CHKZXXJRYMBYME-UHFFFAOYSA-N -1 0 581.716 8.375 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000220582209 562878635 /nfs/dbraw/zinc/87/86/35/562878635.db2.gz KSXRAGCMEANXGI-UHFFFAOYSA-N -1 0 555.578 5.178 1 0 KKAFRM CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)no1 ZINC000220931040 562878687 /nfs/dbraw/zinc/87/86/87/562878687.db2.gz WSCPDRVLOQMVLP-MUUNZHRXSA-N -1 0 617.655 6.923 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)c(F)c4)c3c2)nc1 ZINC000221567492 562879036 /nfs/dbraw/zinc/87/90/36/562879036.db2.gz UUNMYGIQPWDJJC-FCHUYYIVSA-N -1 0 552.444 6.627 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccc3cc[nH]c3c2)cc(C)c1Cl ZINC000222494290 562879813 /nfs/dbraw/zinc/87/98/13/562879813.db2.gz FAXIGLMQMJMECB-UHFFFAOYSA-N -1 0 607.132 5.421 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)Cc2cn(C)c3ccccc23)cc(C)c1Cl ZINC000222382581 562879817 /nfs/dbraw/zinc/87/98/17/562879817.db2.gz YTZZBFCCNZESCZ-UHFFFAOYSA-N -1 0 635.186 5.360 1 0 KKAFRM COc1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000224065656 562880268 /nfs/dbraw/zinc/88/02/68/562880268.db2.gz GSLMLSOYLXMFCY-SYFDYWEOSA-N -1 0 687.515 6.260 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)[O-])cc3F)c2)CC1 ZINC000224436947 562880457 /nfs/dbraw/zinc/88/04/57/562880457.db2.gz PKCNVJASVJLWJX-UHFFFAOYSA-N -1 0 540.563 6.653 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000224451279 562880478 /nfs/dbraw/zinc/88/04/78/562880478.db2.gz OWBQAZROQFUWPF-UHFFFAOYSA-N -1 0 522.573 6.513 1 0 KKAFRM O=S(=O)([N-]c1ccncn1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2ccncc2)c1 ZINC000225040245 562880648 /nfs/dbraw/zinc/88/06/48/562880648.db2.gz GMBGBVQCLOXDBB-UHFFFAOYSA-N -1 0 506.509 6.178 1 0 KKAFRM O=S(=O)([N-]c1ccncn1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2-c2ccncc2)c1 ZINC000225042013 562880689 /nfs/dbraw/zinc/88/06/89/562880689.db2.gz AIQDKKSXGFVAQJ-UHFFFAOYSA-N -1 0 507.497 5.573 1 0 KKAFRM COc1cc(-c2cc(F)cc(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225092851 562880754 /nfs/dbraw/zinc/88/07/54/562880754.db2.gz DYBHNIDJCYVFIO-UHFFFAOYSA-N -1 0 520.973 5.961 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000226012235 562880830 /nfs/dbraw/zinc/88/08/30/562880830.db2.gz WJLPHMPLGXGYCZ-UHFFFAOYSA-N -1 0 590.646 7.516 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226019061 562880835 /nfs/dbraw/zinc/88/08/35/562880835.db2.gz MDVDIVZWVRHBPO-RTWAWAEBSA-N -1 0 546.521 5.793 1 0 KKAFRM Cn1ccc(COc2cc3c(nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(Br)cc3)c(F)c2)n1 ZINC000226024159 562880841 /nfs/dbraw/zinc/88/08/41/562880841.db2.gz QTVAJPZZLCMONG-RTWAWAEBSA-N -1 0 541.421 5.657 1 0 KKAFRM Cc1cnc(COc2ccc3nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4)c3c2)c(F)c1 ZINC000226025528 562880842 /nfs/dbraw/zinc/88/08/42/562880842.db2.gz KUZFADIETALJSO-BJKOFHAPSA-N -1 0 538.417 6.093 1 0 KKAFRM Cc1ccc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000226036853 562880879 /nfs/dbraw/zinc/88/08/79/562880879.db2.gz PTMTVUGOVMCVTJ-UHFFFAOYSA-N -1 0 508.416 5.783 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000226100867 562880954 /nfs/dbraw/zinc/88/09/54/562880954.db2.gz PKOYWFOHHRGCON-VXKWHMMOSA-N -1 0 576.516 7.394 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000226115345 562880990 /nfs/dbraw/zinc/88/09/90/562880990.db2.gz DWKSFFUKXXJEQL-UHFFFAOYSA-N -1 0 559.641 7.671 1 0 KKAFRM CCC(CC)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2noc(C)n2)cc1)C(=O)[O-] ZINC000226108760 562881007 /nfs/dbraw/zinc/88/10/07/562881007.db2.gz IFLYJGFLWDBDOZ-UHFFFAOYSA-N -1 0 575.669 7.004 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cncs2)cc1)C(=O)[O-] ZINC000226119272 562881008 /nfs/dbraw/zinc/88/10/08/562881008.db2.gz RHQXRCHCKVAVEE-UHFFFAOYSA-N -1 0 548.668 6.989 1 0 KKAFRM Cn1nccc1-c1ccc(Cn2c(CC(C)(C)C(=O)[O-])nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1 ZINC000226108673 562881010 /nfs/dbraw/zinc/88/10/10/562881010.db2.gz NNAHITLPQUSEDS-UHFFFAOYSA-N -1 0 545.643 6.266 1 0 KKAFRM Cc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1 ZINC000226111343 562881011 /nfs/dbraw/zinc/88/10/11/562881011.db2.gz VMLXRPBQADENSM-UHFFFAOYSA-N -1 0 555.678 7.841 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc[nH]2)c1)C(=O)[O-] ZINC000226123803 562881028 /nfs/dbraw/zinc/88/10/28/562881028.db2.gz PJRZZJOBVVVHDX-UHFFFAOYSA-N -1 0 530.628 6.860 1 0 KKAFRM CN(C)c1ccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226138159 562881048 /nfs/dbraw/zinc/88/10/48/562881048.db2.gz CHHVCDJGLQDIQX-UHFFFAOYSA-N -1 0 611.746 7.527 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(F)cc6F)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253751861 562882874 /nfs/dbraw/zinc/88/28/74/562882874.db2.gz JKZUFUIMURWCGI-FNWCIVEKSA-N -1 0 598.815 9.312 1 0 KKAFRM Cc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3cccs3)cc2)cc1 ZINC000299825372 562883547 /nfs/dbraw/zinc/88/35/47/562883547.db2.gz MBAIZCVCYSZBMG-JOCHJYFZSA-N -1 0 522.677 5.984 1 0 KKAFRM Cc1ccc2[nH]c3c(c2c1)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]12C)C3(C)C ZINC000299826897 562884035 /nfs/dbraw/zinc/88/40/35/562884035.db2.gz MXFJIINMTMLIPT-IDSDQTAJSA-N -1 0 541.820 9.232 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccc(C(=O)[O-])c(O)c2)c(C)c1 ZINC000299828892 562884626 /nfs/dbraw/zinc/88/46/26/562884626.db2.gz HMJBWDWACSVDDJ-UHFFFAOYSA-N -1 0 552.693 5.167 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299830905 562885395 /nfs/dbraw/zinc/88/53/95/562885395.db2.gz YSURNSZXEDHRBU-IKDCOZHDSA-N -1 0 527.793 8.924 1 0 KKAFRM Cc1cc(/C=C/C(=O)[O-])ccc1NC(=O)C1(NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCC2)CCC1 ZINC000299831335 562885528 /nfs/dbraw/zinc/88/55/28/562885528.db2.gz JCIAXYAVYCEHSH-FOWTUZBSSA-N -1 0 576.697 6.595 1 0 KKAFRM CCCN(C)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299842994 562888955 /nfs/dbraw/zinc/88/89/55/562888955.db2.gz RCRKUTFIUCSOQL-YCUWEVSUSA-N -1 0 810.938 5.296 1 0 KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)[O-])CC[C@]2(C)CC[C@]31C ZINC000299848011 562890150 /nfs/dbraw/zinc/89/01/50/562890150.db2.gz MAAVNXPPBHQXNL-ARVXMKRASA-N -1 0 552.708 6.295 1 0 KKAFRM COc1cccc(-c2cc(=O)n(C[C@@H]3CCc4c(cccc4OCC(=O)[O-])C3)nc2-c2ccc(C)cc2)c1 ZINC000299855401 562891664 /nfs/dbraw/zinc/89/16/64/562891664.db2.gz DXCNYEIWUOLVFU-OAQYLSRUSA-N -1 0 510.590 5.163 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Br)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299855630 562891724 /nfs/dbraw/zinc/89/17/24/562891724.db2.gz BBXPEEYLLKUMDC-NTCAYCPXSA-N -1 0 675.584 6.094 1 0 KKAFRM COc1ccc(Cl)cc1S(=O)(=O)c1cn(CCCC(=O)[O-])c2ccc(C(=O)Nc3ccccc3)cc12 ZINC000299858013 562892345 /nfs/dbraw/zinc/89/23/45/562892345.db2.gz POMUHZKFRFXXJO-UHFFFAOYSA-N -1 0 526.998 5.253 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(-c3csc(C)n3)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299858430 562892477 /nfs/dbraw/zinc/89/24/77/562892477.db2.gz GOLACKJVVQZLIL-PCLIKHOPSA-N -1 0 581.656 8.954 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(Cc5ccc(Cl)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299861112 562893180 /nfs/dbraw/zinc/89/31/80/562893180.db2.gz KJVOASLDMOQYED-UHFFFAOYSA-N -1 0 661.159 5.755 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299861663 562893387 /nfs/dbraw/zinc/89/33/87/562893387.db2.gz IOXCUGQYEMKVJT-SFQUDFHCSA-N -1 0 639.728 6.610 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299864352 562894078 /nfs/dbraw/zinc/89/40/78/562894078.db2.gz MFSUIDGYJTXXID-BUHFOSPRSA-N -1 0 643.144 6.129 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Cl)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299864601 562894148 /nfs/dbraw/zinc/89/41/48/562894148.db2.gz MPQIFPUKYMINHA-NTCAYCPXSA-N -1 0 631.133 5.985 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299864588 562894160 /nfs/dbraw/zinc/89/41/60/562894160.db2.gz MOGIMUKBKZLJNW-NTCAYCPXSA-N -1 0 701.622 6.628 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299865187 562894358 /nfs/dbraw/zinc/89/43/58/562894358.db2.gz SQBLABNTHYWMFI-PXLXIMEGSA-N -1 0 633.585 9.097 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccc(CC(=O)[O-])cc2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299865437 562894402 /nfs/dbraw/zinc/89/44/02/562894402.db2.gz NUDVETAHJOGXOQ-VIUCBDPOSA-N -1 0 713.724 7.705 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299866390 562894630 /nfs/dbraw/zinc/89/46/30/562894630.db2.gz OUBVTJDYLPJFQP-XNTDXEJSSA-N -1 0 611.674 5.830 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Br)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299866459 562894648 /nfs/dbraw/zinc/89/46/48/562894648.db2.gz VTXRPZZFFFLMNO-VAWYXSNFSA-N -1 0 662.545 5.099 1 0 KKAFRM CN(C(=O)C[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)C(C)(C)C)C2CC2)C1=O)c1ccc(C(=O)[O-])cc1 ZINC000299867933 562894940 /nfs/dbraw/zinc/89/49/40/562894940.db2.gz QVCKQBFDNHFPSU-VYUOYPLNSA-N -1 0 713.724 7.800 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299869476 562895317 /nfs/dbraw/zinc/89/53/17/562895317.db2.gz URZPKIDFXWFNNU-CCEZHUSRSA-N -1 0 608.699 5.476 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299870024 562895396 /nfs/dbraw/zinc/89/53/96/562895396.db2.gz VSPNGUICXASBGB-LFIBNONCSA-N -1 0 625.701 6.220 1 0 KKAFRM Cc1ccc(COc2cccc(OCCCOc3ccc4c(CC(=O)[O-])cn(Cc5ccccc5)c4c3)c2)cc1 ZINC000473082382 562896700 /nfs/dbraw/zinc/89/67/00/562896700.db2.gz HKEXDKBHQFGUAM-UHFFFAOYSA-N -1 0 535.640 7.052 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21 ZINC000473083250 562896776 /nfs/dbraw/zinc/89/67/76/562896776.db2.gz BGEYEXXYPCZGEW-SSEXGKCCSA-N -1 0 629.679 8.300 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473086974 562897110 /nfs/dbraw/zinc/89/71/10/562897110.db2.gz JGECKCBLHGDXHC-SFHVURJKSA-N -1 0 609.551 7.361 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090235 562897535 /nfs/dbraw/zinc/89/75/35/562897535.db2.gz VQNHGDPPUYYRQL-GOSISDBHSA-N -1 0 651.041 6.835 1 0 KKAFRM COc1ccc(Cl)cc1-c1nn([C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473090591 562897551 /nfs/dbraw/zinc/89/75/51/562897551.db2.gz WPEGCKBIAJARBF-LJQANCHMSA-N -1 0 638.042 7.745 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21 ZINC000473091474 562897698 /nfs/dbraw/zinc/89/76/98/562897698.db2.gz YPIUGMFQHBZWOR-GDLZYMKVSA-N -1 0 660.693 7.785 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473092056 562897722 /nfs/dbraw/zinc/89/77/22/562897722.db2.gz ZTWOYZCDZLBDLH-PMERELPUSA-N -1 0 629.679 8.300 1 0 KKAFRM CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4c5c(cn(CCCC[C@H](NC(C)=O)C(=O)[O-])c5C[C@@]4(C)O)C=C[C@H]32)O1 ZINC000473112959 562898743 /nfs/dbraw/zinc/89/87/43/562898743.db2.gz GTPAGCCEPPUYLG-YKABYGTASA-N -1 0 552.756 5.602 1 0 KKAFRM COc1ncc(-c2cc3c(ncnc3-c3ccncc3)s2)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000473121575 562899441 /nfs/dbraw/zinc/89/94/41/562899441.db2.gz PVRCMSRKSNSFMD-UHFFFAOYSA-N -1 0 516.029 5.340 1 0 KKAFRM O=C(c1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F ZINC000473153053 562901917 /nfs/dbraw/zinc/90/19/17/562901917.db2.gz XPRMXEDUCYZGTN-UHFFFAOYSA-N -1 0 539.503 6.450 1 0 KKAFRM Cc1cccc2cc(C)c(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccc(C(=O)[O-])cc3)nc12 ZINC000473200878 562903792 /nfs/dbraw/zinc/90/37/92/562903792.db2.gz IMZUHJZDSPTAGR-UHFFFAOYSA-N -1 0 530.524 5.844 1 0 KKAFRM CN(C)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@H]3C(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000473220788 562904188 /nfs/dbraw/zinc/90/41/88/562904188.db2.gz XQEDLYPFZCZRQJ-YFLQASRXSA-N -1 0 667.101 5.059 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000473248081 562905054 /nfs/dbraw/zinc/90/50/54/562905054.db2.gz LJLCXVCVCLZNDK-WUPOYCJMSA-N -1 0 502.692 5.398 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4OCc4ccccc4)ccc3O[C@@H]2CO)ccc1O ZINC000653687478 562906560 /nfs/dbraw/zinc/90/65/60/562906560.db2.gz SNXNJCHNDFOVAZ-BLPFIKBVSA-N -1 0 660.675 6.911 1 0 KKAFRM CCCOc1cc(=O)c2c([O-])c(OCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653701100 562907468 /nfs/dbraw/zinc/90/74/68/562907468.db2.gz WPQBCUYBRTZYCY-WNJJXGMVSA-N -1 0 564.587 5.331 1 0 KKAFRM COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000653710286 562908126 /nfs/dbraw/zinc/90/81/26/562908126.db2.gz OQXQVCSKNJKVTL-DECSIMMDSA-N -1 0 571.522 6.105 1 0 KKAFRM COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc2c1)C(C)C ZINC000653713264 562908271 /nfs/dbraw/zinc/90/82/71/562908271.db2.gz QPJMFFJAOOEBCL-MGGKRHIHSA-N -1 0 539.477 5.224 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc(C)c1Cl ZINC000653726135 562909103 /nfs/dbraw/zinc/90/91/03/562909103.db2.gz JDKOAPLWVFCYIU-UHFFFAOYSA-N -1 0 684.602 5.688 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3cccc(CNC(=O)c4ccccc4C(F)(F)F)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653735499 562909632 /nfs/dbraw/zinc/90/96/32/562909632.db2.gz WINJOECYQHXQMQ-UHFFFAOYSA-N -1 0 840.752 9.188 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2cccn2Cc2ccccc2)cc(C)c1Cl ZINC000653746728 562910451 /nfs/dbraw/zinc/91/04/51/562910451.db2.gz XYARBKYHURJQAV-UHFFFAOYSA-N -1 0 647.197 5.789 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N5Cc6[nH]c7ccccc7c6C[C@H]5C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000653755955 562910970 /nfs/dbraw/zinc/91/09/70/562910970.db2.gz KOTKPFCZFZKVFD-CGYGUCRDSA-N -1 0 614.827 7.433 1 0 KKAFRM CCCc1nc2c(cc(C(=O)N[C@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653763552 562911498 /nfs/dbraw/zinc/91/14/98/562911498.db2.gz NGPSRLHASDZZFZ-SSEXGKCCSA-N -1 0 561.682 6.828 1 0 KKAFRM CC(C)CN(CC(C)C)c1ccc([C@H](CC(=O)[O-])C(F)(F)F)cc1NC(=O)Nc1ccc(F)cc1F ZINC000653802039 562913457 /nfs/dbraw/zinc/91/34/57/562913457.db2.gz LLRWXYAXYSABOE-SFHVURJKSA-N -1 0 515.523 6.848 1 0 KKAFRM CO[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000653813285 562913937 /nfs/dbraw/zinc/91/39/37/562913937.db2.gz FOOIUOKCYUZPDW-DPJKJRSDSA-N -1 0 558.719 6.068 1 0 KKAFRM O=C([O-])c1[nH]c2c(cccc2Cl)c1/C=C/C(=O)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000653816953 562913977 /nfs/dbraw/zinc/91/39/77/562913977.db2.gz CNLJNJBKOVXRBN-GYZZCKOYSA-N -1 0 528.395 7.543 1 0 KKAFRM O=C([O-])c1[nH]c2cc(F)cc(F)c2c1/C=C/C(=O)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000653817038 562913998 /nfs/dbraw/zinc/91/39/98/562913998.db2.gz ZIRKQJSGWMYLAN-IBYINHFXSA-N -1 0 529.930 7.168 1 0 KKAFRM CCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)[O-])nn2-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000653842164 562914943 /nfs/dbraw/zinc/91/49/43/562914943.db2.gz YGMNUAIEAAWEDE-UHFFFAOYSA-N -1 0 577.637 7.468 1 0 KKAFRM C[C@H](c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000653847523 562915245 /nfs/dbraw/zinc/91/52/45/562915245.db2.gz PAYMGAZHYVJJLS-VQTJNVASSA-N -1 0 578.540 8.024 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc32)n(CC(=O)Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000653847655 562915278 /nfs/dbraw/zinc/91/52/78/562915278.db2.gz PBMURWZGFVGTQE-UHFFFAOYSA-N -1 0 769.202 6.337 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)N[C@H](CC(=O)[O-])c4ccccc4)cc3)ccc2c1 ZINC000653848746 562915370 /nfs/dbraw/zinc/91/53/70/562915370.db2.gz NZPVPVNZOQBYCQ-OHWKKVTOSA-N -1 0 664.589 9.241 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(Cl)cc1 ZINC000653850825 562915500 /nfs/dbraw/zinc/91/55/00/562915500.db2.gz MVHXXSXVEAQEAG-VWLOTQADSA-N -1 0 554.861 6.917 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)c1=O ZINC000653854375 562915708 /nfs/dbraw/zinc/91/57/08/562915708.db2.gz BTJGSXZYTHDWFQ-UHFFFAOYSA-N -1 0 807.214 7.125 1 0 KKAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)CC(=O)[O-])nn1-c1ccc(F)cc1 ZINC000653887940 562917096 /nfs/dbraw/zinc/91/70/96/562917096.db2.gz CPULTTQFADDSLA-NRFANRHFSA-N -1 0 523.605 5.629 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc(-c3cc(-c4ccc(C(=O)[O-])cc4)nn3-c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000653900909 562917490 /nfs/dbraw/zinc/91/74/90/562917490.db2.gz ATUFTIJKMARLNY-UHFFFAOYSA-N -1 0 528.674 6.657 1 0 KKAFRM COCCc1ccc(C[C@@H]2O[C@@]3(O)CC[C@@H]4[C@]2(CC[C@H]2[C@@]4(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]24C)[C@H]3C)cc1 ZINC000085530729 565135991 /nfs/dbraw/zinc/13/59/91/565135991.db2.gz KAWHZIWAIGRFFD-GJCPASTJSA-N -1 0 620.915 8.452 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)/C=C\c6ccc(O)cc6)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095910206 565176823 /nfs/dbraw/zinc/17/68/23/565176823.db2.gz APFPLZLTXJYXMM-IPNQRAGGSA-N -1 0 618.855 8.176 1 0 biogenic,in-vitro KKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040165215 574411037 /nfs/dbraw/zinc/41/10/37/574411037.db2.gz IJLBJBCDNYOWPJ-ANSJJUGGSA-N -1 0 562.788 5.305 1 0 endogenous,in-man KKAFRM CO[C@@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)[O-])OC(C)=O)[C@@]1(C)CC2 ZINC000085934020 574411551 /nfs/dbraw/zinc/41/15/51/574411551.db2.gz HOOKULHKMWTXDO-LCURPQIOSA-N -1 0 544.773 6.710 1 0 endogenous,in-man KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100783690 574412475 /nfs/dbraw/zinc/41/24/75/574412475.db2.gz GZQIINDHMUJEAM-LTCPMNHYSA-N -1 0 588.826 5.553 1 0 endogenous,in-man KKAFRM C[C@@H]1[C@@H](C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100783698 574412476 /nfs/dbraw/zinc/41/24/76/574412476.db2.gz GZQIINDHMUJEAM-IOLSHXTHSA-N -1 0 588.826 5.553 1 0 endogenous,in-man KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)[O-])c2ccccc12 ZINC000042833932 581094463 /nfs/dbraw/zinc/09/44/63/581094463.db2.gz MMTVCYJDBFLUQP-PMERELPUSA-N -1 0 575.583 7.666 1 0 KKAFRM CCO[C@@H]1O[C@@H]2[C@H](C)[C@]13CC[C@@H]1[C@@](C)(CC[C@@]4(C)[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]14C)[C@@H]3C[C@H]2O ZINC000070455285 291943343 /nfs/dbraw/zinc/94/33/43/291943343.db2.gz MILUXBBEUPIOMH-AGFJQBJUSA-N -1 0 516.763 6.665 1 0 biogenic,in-vitro KKAFRM CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000253695110 551089200 /nfs/dbraw/zinc/08/92/00/551089200.db2.gz DAUDLQFCWWLQPT-LSNLESRRSA-N -1 0 615.615 7.568 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cccc(Br)c2)c2ccc(C3CCCCC3)cc2)cc1 ZINC000044351996 551089452 /nfs/dbraw/zinc/08/94/52/551089452.db2.gz QJEGIIJPDLHOEZ-HHHXNRCGSA-N -1 0 594.506 5.911 1 0 KKAFRM CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049878015 551089670 /nfs/dbraw/zinc/08/96/70/551089670.db2.gz CIDYLAWHEXYTGX-DEOSSOPVSA-N -1 0 573.568 5.297 1 0 KKAFRM CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049878017 551089672 /nfs/dbraw/zinc/08/96/72/551089672.db2.gz CIDYLAWHEXYTGX-XMMPIXPASA-N -1 0 573.568 5.297 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(SC(F)(F)F)cc2)cc1 ZINC000049850760 551090480 /nfs/dbraw/zinc/09/04/80/551090480.db2.gz XKURAAGCCZEBHF-UHFFFAOYSA-N -1 0 625.616 7.984 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2C2CCCCC2)cc1 ZINC000038854247 551090844 /nfs/dbraw/zinc/09/08/44/551090844.db2.gz QACJISVYBHWBSM-UHFFFAOYSA-N -1 0 515.532 5.749 1 0 KKAFRM CCCc1nc(C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000001482918 561675821 /nfs/dbraw/zinc/67/58/21/561675821.db2.gz HJQDEHNEBVJQEC-UHFFFAOYSA-N -1 0 599.429 5.728 1 0 KKAFRM C[C@H](CS[C@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000001533736 561676611 /nfs/dbraw/zinc/67/66/11/561676611.db2.gz DHBXJMYACXFGDK-IIMAJNMQSA-N -1 0 564.147 7.822 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)Cc1ccc(Oc2ccc3cc(OCc4ccccc4)ccc3c2)cc1 ZINC000001544681 561677216 /nfs/dbraw/zinc/67/72/16/561677216.db2.gz SBIIUSCXSOABNW-UHFFFAOYSA-N -1 0 503.554 7.091 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 ZINC000003816170 561683021 /nfs/dbraw/zinc/68/30/21/561683021.db2.gz YMDDEXCAAGMUQT-UHFFFAOYSA-N -1 0 530.625 5.309 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Sc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000003834059 561683631 /nfs/dbraw/zinc/68/36/31/561683631.db2.gz OSBXMUFWXZFKJS-GDLZYMKVSA-N -1 0 552.652 6.362 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000003943776 561689670 /nfs/dbraw/zinc/68/96/70/561689670.db2.gz XFWBOFOWLVKDND-UHFFFAOYSA-N -1 0 623.165 9.292 1 0 KKAFRM O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000003915922 561684928 /nfs/dbraw/zinc/68/49/28/561684928.db2.gz DGKMBNVRIZTNTK-UHFFFAOYSA-N -1 0 570.650 5.367 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3sc(F)c(F)c3n2)c1 ZINC000003916945 561685163 /nfs/dbraw/zinc/68/51/63/561685163.db2.gz BRYNGLQFTGZDFD-LEYIMRRPSA-N -1 0 593.761 8.634 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000003917652 561685224 /nfs/dbraw/zinc/68/52/24/561685224.db2.gz SXOUCNMFIUAZNE-VWLOTQADSA-N -1 0 546.472 7.610 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000003920704 561685627 /nfs/dbraw/zinc/68/56/27/561685627.db2.gz NPVUAKHFWZHUPP-UHFFFAOYSA-N -1 0 558.660 5.698 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000003929214 561687041 /nfs/dbraw/zinc/68/70/41/561687041.db2.gz RTPXKIITNMOTOD-RMTZWNOUSA-N -1 0 512.666 5.600 1 0 KKAFRM COc1ccccc1N1CCN(CCCOc2cc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)ccc2OCc2ccccc2)CC1 ZINC000003929323 561687149 /nfs/dbraw/zinc/68/71/49/561687149.db2.gz CQYJBRAZFUVJRS-UHFFFAOYSA-N -1 0 661.799 6.916 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000003932814 561687873 /nfs/dbraw/zinc/68/78/73/561687873.db2.gz ZSXUVEXBPOPHIR-SVBPBHIXSA-N -1 0 627.569 5.348 1 0 KKAFRM CCCc1nc2c(cc(-c3ccccc3)cc2C)n1CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)OC ZINC000003940103 561689191 /nfs/dbraw/zinc/68/91/91/561689191.db2.gz MARBDPRGPCDNDA-AREMUKBSSA-N -1 0 557.672 5.724 1 0 KKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(Br)cc12 ZINC000003941757 561689456 /nfs/dbraw/zinc/68/94/56/561689456.db2.gz FECNHWUMLHYCRX-UHFFFAOYSA-N -1 0 526.430 7.339 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2cccc(Cl)c2)c(COc2ccccc2CC(=O)[O-])c3S1 ZINC000003946501 561690050 /nfs/dbraw/zinc/69/00/50/561690050.db2.gz OQQODMMUYMQRLN-RUZDIDTESA-N -1 0 661.223 9.227 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc54)cc3)cc2Br)cc1O ZINC000003981792 561692544 /nfs/dbraw/zinc/69/25/44/561692544.db2.gz OLBKWTZHYBBBDA-UHFFFAOYSA-N -1 0 671.590 8.760 1 0 KKAFRM CCc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000003992216 561693577 /nfs/dbraw/zinc/69/35/77/561693577.db2.gz JUYLDRDBPRKGGI-XMMPIXPASA-N -1 0 598.571 7.649 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2c[nH]c(SCc3ccccc3)n2)c1OC ZINC000004781357 561695300 /nfs/dbraw/zinc/69/53/00/561695300.db2.gz ISGSQFRGZRJINW-YTTGMZPUSA-N -1 0 630.807 7.909 1 0 KKAFRM O=C1CS[C@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009740 561701681 /nfs/dbraw/zinc/70/16/81/561701681.db2.gz VEBYSAGFNVZSIN-JBXKERDYSA-N -1 0 548.671 5.256 1 0 KKAFRM CC1=C(C(=O)OCC(Br)(Br)Br)[C@@H](c2ccc(Br)cc2)NC(=O)N1CCCC(=O)[O-] ZINC000008829529 561708551 /nfs/dbraw/zinc/70/85/51/561708551.db2.gz OEAMNEUXJUSHMC-OAHLLOKOSA-N -1 0 661.967 5.036 3 0 KKAFRM CN(CCOc1ccc(C[C@H](Cc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358062 561710093 /nfs/dbraw/zinc/71/00/93/561710093.db2.gz QFSFHFQYHBZAAV-AREMUKBSSA-N -1 0 534.612 6.060 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)N(C)C)C(=O)[O-])cc1 ZINC000012358137 561710313 /nfs/dbraw/zinc/71/03/13/561710313.db2.gz VSNSHKCOPMGHRL-HHHXNRCGSA-N -1 0 513.594 5.081 1 0 KKAFRM CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358487 561710381 /nfs/dbraw/zinc/71/03/81/561710381.db2.gz XFDVNAHBJNVLAA-SSEXGKCCSA-N -1 0 545.701 7.961 1 0 KKAFRM CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358489 561710566 /nfs/dbraw/zinc/71/05/66/561710566.db2.gz AHEXZGKRUXYNQR-WJOKGBTCSA-N -1 0 553.680 7.970 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000013437654 561712102 /nfs/dbraw/zinc/71/21/02/561712102.db2.gz QFBHHQYVJOIBDA-XMMPIXPASA-N -1 0 516.557 5.435 1 0 KKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(c3ccc(C(C)(C)C)cc3)CCCO2)C(=O)[O-])cc1 ZINC000013442280 561712768 /nfs/dbraw/zinc/71/27/68/561712768.db2.gz VHYNCEYTMNADJU-HVNZXBJASA-N -1 0 501.623 5.478 1 0 KKAFRM O=C([O-])[C@@H]1Cc2c(ncn2Cc2ccc(C(F)(F)F)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013446870 561713215 /nfs/dbraw/zinc/71/32/15/561713215.db2.gz YDHFSOQIWXLFFJ-VWLOTQADSA-N -1 0 519.523 5.120 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000013494014 561716738 /nfs/dbraw/zinc/71/67/38/561716738.db2.gz GJINDSMMMSBEKA-NRFANRHFSA-N -1 0 507.211 6.094 1 0 KKAFRM Cn1c2cc(S(=O)(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C/C=C\CCCC(=O)[O-])ccc2cc1-c1ccccc1 ZINC000013521307 561717028 /nfs/dbraw/zinc/71/70/28/561717028.db2.gz GFWIOLKAFYRCEC-DHTPKFNGSA-N -1 0 506.668 5.740 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cn(CC3CCCCC3)cn2)cc1-c1ccccc1)C(=O)[O-] ZINC000013533166 561717759 /nfs/dbraw/zinc/71/77/59/561717759.db2.gz XMFQUUSWOYZDFL-MHZLTWQESA-N -1 0 520.699 5.679 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000013537362 561718016 /nfs/dbraw/zinc/71/80/16/561718016.db2.gz LMAJEKVRQYZKMQ-MUUNZHRXSA-N -1 0 533.690 7.601 1 0 KKAFRM CC(C)[C@@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761695 561727956 /nfs/dbraw/zinc/72/79/56/561727956.db2.gz MSPKBDSHENZXSJ-DEOSSOPVSA-N -1 0 516.059 6.247 1 0 KKAFRM C/C(=C\[C@H](C)n1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558138 561719179 /nfs/dbraw/zinc/71/91/79/561719179.db2.gz ZOBRSOCMGBFNJL-GOFCXVBSSA-N -1 0 501.461 5.355 1 0 KKAFRM CN(C)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761667 561728035 /nfs/dbraw/zinc/72/80/35/561728035.db2.gz FKUHCZHJZWOCRL-AREMUKBSSA-N -1 0 522.667 5.413 1 0 KKAFRM CC(C)C[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761714 561728117 /nfs/dbraw/zinc/72/81/17/561728117.db2.gz YQNOXGAZMZYQEE-XMMPIXPASA-N -1 0 513.631 6.122 1 0 KKAFRM O=C(Nc1ccc(Cl)cc1Cl)C1=C([O-])N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc21 ZINC000013605550 561721688 /nfs/dbraw/zinc/72/16/88/561721688.db2.gz HJPNEGNINIHTSK-UHFFFAOYSA-N -1 0 509.798 5.717 1 0 KKAFRM COc1ccc(NC(=O)c2nc(-c3ccccc3C)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000013674717 561723857 /nfs/dbraw/zinc/72/38/57/561723857.db2.gz MWUDZLYWJNUWRJ-UHFFFAOYSA-N -1 0 513.638 6.493 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C34CCC(CC3)CC4)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674748 561723913 /nfs/dbraw/zinc/72/39/13/561723913.db2.gz KLDWQAKTWGNFLF-UHFFFAOYSA-N -1 0 503.643 6.067 1 0 KKAFRM Cc1c(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678399 561724304 /nfs/dbraw/zinc/72/43/04/561724304.db2.gz CGEZENKSRRPLKV-UHFFFAOYSA-N -1 0 522.988 6.760 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1cccc2c1ccn2[C@H](CC)C(=O)[O-] ZINC000013677990 561724312 /nfs/dbraw/zinc/72/43/12/561724312.db2.gz DBNPMVWLTQZOKJ-LJQANCHMSA-N -1 0 504.505 6.637 1 0 KKAFRM CCCCc1ncc(/C=C(/C(=O)[O-])[C@H](Cc2ccccc2)c2cccs2)n1Cc1ccccc1Cl ZINC000013728158 561725146 /nfs/dbraw/zinc/72/51/46/561725146.db2.gz VBORJKBYUGUCOY-XSICDPOBSA-N -1 0 505.083 7.483 1 0 KKAFRM CCCCc1nc2cc(NC(=O)NC3CCCCC3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732039 561725283 /nfs/dbraw/zinc/72/52/83/561725283.db2.gz RRCSMDMRTYTELL-UHFFFAOYSA-N -1 0 524.665 7.247 1 0 KKAFRM CCCCc1ncc(/C=C2\C(=O)N(CCCC)C(=O)N2Cc2cccs2)n1Cc1ccc(C(=O)[O-])cc1 ZINC000013743401 561726479 /nfs/dbraw/zinc/72/64/79/561726479.db2.gz GZLUZVHIHGZGIG-LFVJCYFKSA-N -1 0 520.655 5.639 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccccc3)cc2CC)cccc1Oc1ccccc1C(=O)[O-] ZINC000013744125 561726483 /nfs/dbraw/zinc/72/64/83/561726483.db2.gz MAHXUFYQFCPCNJ-UHFFFAOYSA-N -1 0 526.629 7.913 1 0 KKAFRM CCCCc1ncc(/C=C2\C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000013743378 561726498 /nfs/dbraw/zinc/72/64/98/561726498.db2.gz QWDAOLJZTCHRAW-NLRVBDNBSA-N -1 0 514.626 5.420 1 0 KKAFRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744239 561726640 /nfs/dbraw/zinc/72/66/40/561726640.db2.gz MSYTWGRTZFXVLE-SBUREZEXSA-N -1 0 510.631 5.398 1 0 KKAFRM Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)NCC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1 ZINC000013747510 561727008 /nfs/dbraw/zinc/72/70/08/561727008.db2.gz SADHTXJXFKJQAS-UHFFFAOYSA-N -1 0 522.711 6.345 1 0 KKAFRM CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)[N-]S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013747473 561727039 /nfs/dbraw/zinc/72/70/39/561727039.db2.gz OJUXOBAHHBQJQH-UHFFFAOYSA-N -1 0 508.684 6.317 1 0 KKAFRM CC(C)c1cc(C(C)C)c(NC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000013747439 561727061 /nfs/dbraw/zinc/72/70/61/561727061.db2.gz DLPQCGHLVKYLQV-UHFFFAOYSA-N -1 0 502.721 7.749 1 0 KKAFRM CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)[N-]S(=O)(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000013747530 561727084 /nfs/dbraw/zinc/72/70/84/561727084.db2.gz RKGCKLVELPUJFU-UHFFFAOYSA-N -1 0 517.732 7.289 1 0 KKAFRM C[C@H](C(=O)Nc1ccc(CCCC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804799 561731405 /nfs/dbraw/zinc/73/14/05/561731405.db2.gz MGNXCJNHCOCHIW-QFIPXVFZSA-N -1 0 518.613 7.117 1 0 KKAFRM CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000013806762 561731509 /nfs/dbraw/zinc/73/15/09/561731509.db2.gz GILGJJVLNYZSAA-GDLZYMKVSA-N -1 0 506.667 8.653 1 0 KKAFRM Cc1cccc(C(C)C)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000013817690 561732213 /nfs/dbraw/zinc/73/22/13/561732213.db2.gz NIBDXGIMKZXWGB-QFIPXVFZSA-N -1 0 513.421 6.103 1 0 KKAFRM CSCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000013817665 561732233 /nfs/dbraw/zinc/73/22/33/561732233.db2.gz LWCMKXYMIBQWPV-FQEVSTJZSA-N -1 0 523.482 5.671 1 0 KKAFRM Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c([C@@H](c2ccc(F)cc2)c2cccc(C(F)(F)F)c2)c1 ZINC000013824678 561732760 /nfs/dbraw/zinc/73/27/60/561732760.db2.gz HITATFSDGIRUCG-UMFSSWHCSA-N -1 0 520.519 5.607 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000013834061 561734082 /nfs/dbraw/zinc/73/40/82/561734082.db2.gz YMYTZPFVYVJDMW-LJAQVGFWSA-N -1 0 534.100 7.422 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000013834058 561734105 /nfs/dbraw/zinc/73/41/05/561734105.db2.gz LZUGTLYMIOPWFM-SSEXGKCCSA-N -1 0 513.682 7.077 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000014286723 561739263 /nfs/dbraw/zinc/73/92/63/561739263.db2.gz ZSXUVEXBPOPHIR-SXOMAYOGSA-N -1 0 627.569 5.348 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946778 561744351 /nfs/dbraw/zinc/74/43/51/561744351.db2.gz ZBPGHMQQCBXZHV-NDEPHWFRSA-N -1 0 550.677 5.024 1 0 KKAFRM Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5ccccc5)c4)c3O)cc2n1 ZINC000014953828 561746747 /nfs/dbraw/zinc/74/67/47/561746747.db2.gz XFBXDMPFSILBFK-UHFFFAOYSA-N -1 0 507.550 5.134 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4c(cccc4Cl)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955223 561747274 /nfs/dbraw/zinc/74/72/74/561747274.db2.gz UWXIYEOPGRSASP-PZJWPPBQSA-N -1 0 538.054 5.953 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1C ZINC000014963302 561748968 /nfs/dbraw/zinc/74/89/68/561748968.db2.gz POFWSMHHXSOAAJ-NRFANRHFSA-N -1 0 525.605 6.103 1 0 KKAFRM COc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)cc1OC ZINC000014963273 561748969 /nfs/dbraw/zinc/74/89/69/561748969.db2.gz ZGVUZPIYOSOTEU-UHFFFAOYSA-N -1 0 527.577 5.242 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)c(Cl)c1 ZINC000014963361 561749033 /nfs/dbraw/zinc/74/90/33/561749033.db2.gz ZSKXPSIETQZQJF-FQEVSTJZSA-N -1 0 530.024 6.748 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)c(C)c1 ZINC000014963367 561749059 /nfs/dbraw/zinc/74/90/59/561749059.db2.gz BTYSVIBSJVRJTA-NRFANRHFSA-N -1 0 509.606 6.403 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3cc(Cl)nc(Cl)c3)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963524 561749065 /nfs/dbraw/zinc/74/90/65/561749065.db2.gz ZCPBULLKVOWIPZ-LJQANCHMSA-N -1 0 535.214 6.336 1 0 KKAFRM COc1ccc2ccccc2c1-c1ccc2cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2n1 ZINC000014963503 561749072 /nfs/dbraw/zinc/74/90/72/561749072.db2.gz POYXPYSTVWGLAA-VWLOTQADSA-N -1 0 545.422 6.796 1 0 KKAFRM CS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)[O-])c(Cl)c1 ZINC000014963584 561749182 /nfs/dbraw/zinc/74/91/82/561749182.db2.gz GWXWMVWWYIESGE-HSZRJFAPSA-N -1 0 577.873 5.691 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000014963612 561749201 /nfs/dbraw/zinc/74/92/01/561749201.db2.gz MFYDVLFZQCQUGD-FTJBHMTQSA-N -1 0 562.453 5.512 1 0 KKAFRM CCc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1C ZINC000014966034 561749847 /nfs/dbraw/zinc/74/98/47/561749847.db2.gz XWUZBYZNZYQJKF-ZEQRLZLVSA-N -1 0 533.600 5.460 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)cc2Br)ccc1O ZINC000014969097 561750446 /nfs/dbraw/zinc/75/04/46/561750446.db2.gz QDOUMGDWMBUGEC-HXUWFJFHSA-N -1 0 543.252 5.601 1 0 KKAFRM CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 ZINC000014972266 561751506 /nfs/dbraw/zinc/75/15/06/561751506.db2.gz QQZSKYDYMQGTTF-UKILVPOCSA-N -1 0 623.698 5.211 1 0 KKAFRM CC[C@@H](c1ccc(O)c(Br)c1)[C@H](CC)c1cc(Br)c([O-])c(Br)c1 ZINC000025966366 561763188 /nfs/dbraw/zinc/76/31/88/561763188.db2.gz CYHLJVJTZORJDH-QWHCGFSZSA-N -1 0 507.060 7.073 1 0 KKAFRM C/C(=C\Cn1oc(=O)[n-]c1=O)c1ccc2oc(Cc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)cc2c1 ZINC000025969127 561763248 /nfs/dbraw/zinc/76/32/48/561763248.db2.gz GMGUXXXAULOBRH-NTEUORMPSA-N -1 0 511.456 5.552 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)[n-]c2=O)C2CCCCC2)c1 ZINC000025970628 561763275 /nfs/dbraw/zinc/76/32/75/561763275.db2.gz NFKIAGHCEOESJC-ZVHZXABRSA-N -1 0 555.553 6.355 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(CCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025985499 561764139 /nfs/dbraw/zinc/76/41/39/561764139.db2.gz IVVIGKFVPVPXEY-OZNIXHKMSA-N -1 0 522.730 5.579 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000025989865 561764591 /nfs/dbraw/zinc/76/45/91/561764591.db2.gz BAOZVZLVHANZCO-PYPSMOBWSA-N -1 0 570.774 7.277 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4ccc5ccccc5c4)cc3c2O)cc1 ZINC000026006119 561765609 /nfs/dbraw/zinc/76/56/09/561765609.db2.gz IWXKKPOIHFJXKY-UHFFFAOYSA-N -1 0 564.638 7.523 1 0 KKAFRM CC[C@@H](C)NC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])cc2)c1 ZINC000026012047 561765909 /nfs/dbraw/zinc/76/59/09/561765909.db2.gz HWQZFUYEJBHGFB-RLWLMLJZSA-N -1 0 537.682 5.173 1 0 KKAFRM COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c3ccccc3C)c2)o1 ZINC000026012309 561765914 /nfs/dbraw/zinc/76/59/14/561765914.db2.gz ODRIJWKMQUKGQK-NDEPHWFRSA-N -1 0 559.684 6.584 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3cccc(F)c3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026015260 561766183 /nfs/dbraw/zinc/76/61/83/561766183.db2.gz KUOCTSJFVHNDDY-NDEPHWFRSA-N -1 0 547.648 6.714 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(C)C)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026016208 561766336 /nfs/dbraw/zinc/76/63/36/561766336.db2.gz OUAONGDGIKMGQT-HKBQPEDESA-N -1 0 571.739 7.698 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Oc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168108 561769440 /nfs/dbraw/zinc/76/94/40/561769440.db2.gz FPOPGDWXBFUBKQ-HKBQPEDESA-N -1 0 550.655 6.614 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Oc2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026172239 561770135 /nfs/dbraw/zinc/77/01/35/561770135.db2.gz QETNPKWOLZTWCI-KYJUHHDHSA-N -1 0 566.654 5.585 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000026172387 561770143 /nfs/dbraw/zinc/77/01/43/561770143.db2.gz SWWPPOWWYRUOSM-SANMLTNESA-N -1 0 587.559 6.580 1 0 KKAFRM CCCCCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000026172268 561770153 /nfs/dbraw/zinc/77/01/53/561770153.db2.gz KHJHACWGMCPAEX-HHHXNRCGSA-N -1 0 540.660 7.072 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026173324 561770426 /nfs/dbraw/zinc/77/04/26/561770426.db2.gz JQPMOZZLDNZRIW-VOIUYBSRSA-N -1 0 668.980 6.512 1 0 KKAFRM O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2cccc(NC(=O)NCc3ccccc3)c2)c1)c1ccccc1 ZINC000026181046 561771707 /nfs/dbraw/zinc/77/17/07/561771707.db2.gz VBGYRENSHIJAAW-MHZLTWQESA-N -1 0 529.618 5.170 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2cccs2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026293079 561780860 /nfs/dbraw/zinc/78/08/60/561780860.db2.gz VVOGFCYZFAKNMH-UHFFFAOYSA-N -1 0 675.789 7.127 1 0 KKAFRM CC(C)C[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000026390018 561785511 /nfs/dbraw/zinc/78/55/11/561785511.db2.gz CLFPRXYAWSKZIE-ZONGSEFFSA-N -1 0 721.697 5.638 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026392478 561786131 /nfs/dbraw/zinc/78/61/31/561786131.db2.gz UDDCVNQAOBQZEZ-ZSBKDRTMSA-N -1 0 648.643 5.105 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2C)cc1)C(C)(C)C ZINC000026394371 561786572 /nfs/dbraw/zinc/78/65/72/561786572.db2.gz XUHCFLAIQCGOLL-LOYHVIPDSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(C)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026394795 561786632 /nfs/dbraw/zinc/78/66/32/561786632.db2.gz YZKBLJHHYZDROJ-XZWHSSHBSA-N -1 0 562.691 5.882 1 0 KKAFRM CCCCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026395058 561786673 /nfs/dbraw/zinc/78/66/73/561786673.db2.gz SKJOWRKZHPAFFY-GLJIIXIPSA-N -1 0 676.697 5.885 1 0 KKAFRM CCCC[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Cl)[nH]c2ccccc21)C(=O)N[C@@H](CCCC)C(=O)[O-] ZINC000026396553 561787162 /nfs/dbraw/zinc/78/71/62/561787162.db2.gz VPODUSBOCNZAFZ-SUYKCVEVSA-N -1 0 604.192 5.140 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2cccc(F)c2)cc1)C(C)(C)C ZINC000026397269 561787269 /nfs/dbraw/zinc/78/72/69/561787269.db2.gz WQBAMGDQVHWIOJ-XRKRLSELSA-N -1 0 566.654 5.713 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCCC1)C(=O)[O-] ZINC000026398837 561787747 /nfs/dbraw/zinc/78/77/47/561787747.db2.gz HCIDUUVZRHLCAT-KKUQBAQOSA-N -1 0 648.643 5.108 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1CCCCCCC1)C(=O)[O-] ZINC000026398830 561787775 /nfs/dbraw/zinc/78/77/75/561787775.db2.gz HCIDUUVZRHLCAT-JIMJEQGWSA-N -1 0 648.643 5.108 1 0 KKAFRM CCOP(=O)(OCC)C(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)P(=O)(OCC)OCC ZINC000026401226 561788312 /nfs/dbraw/zinc/78/83/12/561788312.db2.gz RVGHKHGPYXZSOD-UHFFFAOYSA-N -1 0 617.548 5.112 1 0 KKAFRM C[C@H](COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccccn1 ZINC000026468213 561789968 /nfs/dbraw/zinc/78/99/68/561789968.db2.gz SRMSQPPXSZMISX-OAQYLSRUSA-N -1 0 565.179 8.464 1 0 KKAFRM COc1ccc2nc(COc3ccc4c(c3)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n4Cc3ccc(Cl)cc3)sc2c1 ZINC000026475457 561790915 /nfs/dbraw/zinc/79/09/15/561790915.db2.gz WDEVHHVMIKJTLS-UHFFFAOYSA-N -1 0 623.240 9.084 1 0 KKAFRM COc1ccccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026477200 561791307 /nfs/dbraw/zinc/79/13/07/561791307.db2.gz MEIGIPYUHHBELM-DNQXCXABSA-N -1 0 577.486 5.154 1 0 KKAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000026483804 561792192 /nfs/dbraw/zinc/79/21/92/561792192.db2.gz KOZDYEZZZJTMAM-RPWUZVMVSA-N -1 0 547.460 5.146 1 0 KKAFRM COc1cccc(OC(F)(F)F)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026484173 561792294 /nfs/dbraw/zinc/79/22/94/561792294.db2.gz SFZZVCKKJIOBFO-DFHRPNOPSA-N -1 0 675.509 6.443 1 0 KKAFRM COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C/C=C\CCC(C)(C)C(=O)[O-])oc1ccccc12 ZINC000026489103 561792883 /nfs/dbraw/zinc/79/28/83/561792883.db2.gz BRDIMTQGTOLKQZ-OWSPQCILSA-N -1 0 525.667 6.125 1 0 KKAFRM COc1cc(F)ccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026489246 561793056 /nfs/dbraw/zinc/79/30/56/561793056.db2.gz NGTMXOYTWFNABE-YWEHKCAJSA-N -1 0 609.503 5.684 1 0 KKAFRM CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)NC)N(Cc4ccc(C(=O)[O-])cc4)C(=O)O3)[C@H]21 ZINC000026502408 561795802 /nfs/dbraw/zinc/79/58/02/561795802.db2.gz SJFBUCGDRXJLSO-NXGGONJNSA-N -1 0 594.749 5.743 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507727 561796843 /nfs/dbraw/zinc/79/68/43/561796843.db2.gz OFNKSFVKBAHXFD-IHLOFXLRSA-N -1 0 588.745 7.263 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4OS(=O)(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)sc2c1 ZINC000026572898 561798429 /nfs/dbraw/zinc/79/84/29/561798429.db2.gz ZGHZCQLOJDOLOB-UHFFFAOYSA-N -1 0 682.028 8.532 1 0 KKAFRM CCO[P@](=O)([O-])CC(=O)N[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000026573562 561798518 /nfs/dbraw/zinc/79/85/18/561798518.db2.gz UGTJSBWGFKJUCR-YFQWSKTNSA-N -1 0 664.740 5.216 1 0 KKAFRM NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026578197 561802954 /nfs/dbraw/zinc/80/29/54/561802954.db2.gz YQEMFOGNUTYMTJ-ZDULMQMTSA-N -1 0 694.769 6.085 1 0 KKAFRM COc1ccc(COc2ccc3c4c(c(CC(C)(C)C(=O)[O-])n3Cc3ccc(Cl)cc3)S[C@H](C)Cc42)nc1 ZINC000026667318 561811366 /nfs/dbraw/zinc/81/13/66/561811366.db2.gz UORFYXWHQZJVIR-GOSISDBHSA-N -1 0 551.108 7.016 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3[S@]1=O ZINC000026667549 561811543 /nfs/dbraw/zinc/81/15/43/561811543.db2.gz AADUXTNZXBDKCQ-ZXBYXDSMSA-N -1 0 613.179 7.690 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(CC2CCCCC2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667920 561811606 /nfs/dbraw/zinc/81/16/06/561811606.db2.gz RDSIBGPOQGMQJC-QHCPKHFHSA-N -1 0 568.783 8.553 1 0 KKAFRM CC(C)(Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3CC(C)(C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000026669979 561812012 /nfs/dbraw/zinc/81/20/12/561812012.db2.gz LUEKPNDPXYTKPW-UHFFFAOYSA-N -1 0 611.207 9.064 1 0 KKAFRM CCCCN(C)C(=O)CCCCCC/C=C\CC[C@H](c1ccc(O)c(C(C)C)c1)c1c(C)cc(OCC(=O)[O-])cc1C ZINC000026673377 561813089 /nfs/dbraw/zinc/81/30/89/561813089.db2.gz HGCHTOCFDDIWOI-OPIPOUMXSA-N -1 0 579.822 8.663 1 0 KKAFRM Cc1cccc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1C ZINC000026674986 561813786 /nfs/dbraw/zinc/81/37/86/561813786.db2.gz KHUZXZGGNVVKJR-BHYZAODMSA-N -1 0 575.492 6.522 1 0 KKAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]S(=O)(=O)C(C)C)cc1 ZINC000026724943 561815796 /nfs/dbraw/zinc/81/57/96/561815796.db2.gz NGRWJNOGBNJYQQ-UHFFFAOYSA-N -1 0 636.718 5.127 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000026725775 561815927 /nfs/dbraw/zinc/81/59/27/561815927.db2.gz KTIVKLXXTDQNMF-IYMLNHPCSA-N -1 0 626.581 6.483 1 0 KKAFRM COc1ccc([C@@H](c2ccccc2)n2ccc3cc(/C(C)=C/C(=O)Nc4ccccc4OCCCC(=O)[O-])ccc32)cc1 ZINC000026735800 561817353 /nfs/dbraw/zinc/81/73/53/561817353.db2.gz JZIXQPPFHJTKRH-HCUIYKSZSA-N -1 0 574.677 7.573 1 0 KKAFRM COc1ccc([C@H](c2ccccc2)n2ccc3cc(/C(C)=C/C(=O)Nc4ccccc4OCCCC(=O)[O-])ccc32)cc1 ZINC000026735805 561817375 /nfs/dbraw/zinc/81/73/75/561817375.db2.gz JZIXQPPFHJTKRH-UEAQKIMVSA-N -1 0 574.677 7.573 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(C(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000026735621 561817406 /nfs/dbraw/zinc/81/74/06/561817406.db2.gz UIISAWYHPZCXHX-IZMXGECRSA-N -1 0 611.566 6.547 1 0 KKAFRM CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)cc1)[C@H](C)CC ZINC000026740026 561818011 /nfs/dbraw/zinc/81/80/11/561818011.db2.gz ZJHMLSNKVGQEQU-CBDXNIDJSA-N -1 0 696.886 5.051 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CC(C)C)cc1 ZINC000026744928 561818638 /nfs/dbraw/zinc/81/86/38/561818638.db2.gz ZJRMRCYIFRIMFI-IAPPQJPRSA-N -1 0 558.679 5.435 1 0 KKAFRM CC(C)c1c2ccccc2cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026745115 561818661 /nfs/dbraw/zinc/81/86/61/561818661.db2.gz KMUHRPGZKRKKCZ-FTJBHMTQSA-N -1 0 534.599 6.387 1 0 in-vitro KKAFRM CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000026745770 561818748 /nfs/dbraw/zinc/81/87/48/561818748.db2.gz MHRNQXJHAKWZFP-MDZDMXLPSA-N -1 0 542.846 8.236 1 0 KKAFRM Cc1cc(C(c2ccc(F)c(C)c2)c2cc(Cl)cc(Cl)c2OC[C@@H](O)C[C@@H](O)CC(=O)[O-])ccc1F ZINC000026745686 561818795 /nfs/dbraw/zinc/81/87/95/561818795.db2.gz VRUKSNBTMNSBFT-UXHICEINSA-N -1 0 539.402 6.034 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1[C@@H](CCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000026749139 561819383 /nfs/dbraw/zinc/81/93/83/561819383.db2.gz ZAZHQOBUAOBXJC-GIWBLDEGSA-N -1 0 555.401 5.838 1 0 KKAFRM COc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCCc2ccc(OC)c(OC)c2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC000026818691 561820632 /nfs/dbraw/zinc/82/06/32/561820632.db2.gz RIFDNBGSPYSLKK-NDEPHWFRSA-N -1 0 613.494 6.153 1 0 KKAFRM COc1cc(C)nc(O[C@H](C(=O)[O-])C(OCCc2ccc(OC)c(OC)c2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 ZINC000026818697 561820703 /nfs/dbraw/zinc/82/07/03/561820703.db2.gz RIFDNBGSPYSLKK-MUUNZHRXSA-N -1 0 613.494 6.153 1 0 KKAFRM CCc1nc(CC(C)C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026841047 561825807 /nfs/dbraw/zinc/82/58/07/561825807.db2.gz NUHXJJHLYQEEJE-UHFFFAOYSA-N -1 0 627.483 6.228 1 0 KKAFRM CCCc1sc([N-]S(=O)(=O)/C=C/c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026938713 561827931 /nfs/dbraw/zinc/82/79/31/561827931.db2.gz VMOVWQJCIXPFMW-ISLYRVAYSA-N -1 0 528.621 7.861 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCC(=O)NCCCc1ccccc1)C(=O)Nc1ccccc1 ZINC000026963480 561829768 /nfs/dbraw/zinc/82/97/68/561829768.db2.gz QQIBFLKIYAKNQM-BHYZAODMSA-N -1 0 619.743 5.815 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000026978064 561831058 /nfs/dbraw/zinc/83/10/58/561831058.db2.gz VXEAQOOPZOMMSG-UHSQPCAPSA-N -1 0 577.662 5.704 1 0 KKAFRM CC(C)(C(=O)[O-])C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026986079 561831996 /nfs/dbraw/zinc/83/19/96/561831996.db2.gz WJCGMNKAQVSRCR-UHFFFAOYSA-N -1 0 568.673 8.184 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026988015 561832093 /nfs/dbraw/zinc/83/20/93/561832093.db2.gz UFMJSVHWQDAAMB-UHFFFAOYSA-N -1 0 533.540 5.719 1 0 KKAFRM C[C@H](CC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000026987412 561832095 /nfs/dbraw/zinc/83/20/95/561832095.db2.gz ACYVXXNWHUCEEM-RUZDIDTESA-N -1 0 568.673 8.184 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000026987688 561832141 /nfs/dbraw/zinc/83/21/41/561832141.db2.gz WUBWNVGFRGMGJW-FQEVSTJZSA-N -1 0 543.266 5.643 1 0 KKAFRM Nc1cccc([S@@](=O)Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000026989719 561832353 /nfs/dbraw/zinc/83/23/53/561832353.db2.gz LVKUKZDXLRSTSX-CRZTYIBISA-N -1 0 574.665 7.050 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000026991598 561832528 /nfs/dbraw/zinc/83/25/28/561832528.db2.gz QCGDOIKAQNMZHY-NRFANRHFSA-N -1 0 522.226 6.486 1 0 KKAFRM COc1ccc(Oc2ccccc2CNc2ccc(CNC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c(C(=O)[O-])c1 ZINC000026993379 561832784 /nfs/dbraw/zinc/83/27/84/561832784.db2.gz JMVJIRGEHBSRSB-GKSNETIJSA-N -1 0 574.718 6.891 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOCc2ccccc2)c1 ZINC000026994136 561832884 /nfs/dbraw/zinc/83/28/84/561832884.db2.gz XKTCCADJZOHYNA-UHFFFAOYSA-N -1 0 563.676 5.971 1 0 KKAFRM O=C([O-])C=C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026996218 561833251 /nfs/dbraw/zinc/83/32/51/561833251.db2.gz NROKODKBRFKKBM-UHFFFAOYSA-N -1 0 538.603 7.457 1 0 KKAFRM O=C([O-])CCCc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(=O)[nH]c3)c2)c(Br)c1 ZINC000026997304 561833555 /nfs/dbraw/zinc/83/35/55/561833555.db2.gz MWEVZOPWKKOXCW-UHFFFAOYSA-N -1 0 537.204 5.396 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2nccs2)c1 ZINC000027077299 561834339 /nfs/dbraw/zinc/83/43/39/561834339.db2.gz PCSOOCRUFAOYIE-UHFFFAOYSA-N -1 0 556.666 5.290 1 0 KKAFRM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H]2OC(=O)c3ccccc32)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027078214 561834589 /nfs/dbraw/zinc/83/45/89/561834589.db2.gz SDHLPRPYVKQWDH-HKBQPEDESA-N -1 0 554.599 5.503 1 0 KKAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)[O-] ZINC000027107113 561840458 /nfs/dbraw/zinc/84/04/58/561840458.db2.gz CJXMKJCVLPYHOA-ATBKSVPBSA-N -1 0 528.649 5.083 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000027196181 561844391 /nfs/dbraw/zinc/84/43/91/561844391.db2.gz IGOWKCVUJOXVRU-PGUFJCEWSA-N -1 0 591.752 8.561 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2cncs2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199080 561844813 /nfs/dbraw/zinc/84/48/13/561844813.db2.gz LEUUVBKXNREKNE-LJAQVGFWSA-N -1 0 559.757 6.257 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000027306047 561849600 /nfs/dbraw/zinc/84/96/00/561849600.db2.gz LHVGZIIAYJDNGW-DGULHNEASA-N -1 0 585.701 5.153 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000027305921 561849620 /nfs/dbraw/zinc/84/96/20/561849620.db2.gz LHVGZIIAYJDNGW-FZHFXUHZSA-N -1 0 585.701 5.153 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000027307332 561849866 /nfs/dbraw/zinc/84/98/66/561849866.db2.gz PEQILDCMULERGE-XAIKLMNQSA-N -1 0 604.147 6.143 1 0 KKAFRM C[C@@H](C(=O)Nc1ccc(CCCC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2c1 ZINC000027321078 561852684 /nfs/dbraw/zinc/85/26/84/561852684.db2.gz JTVWKLTWEJHHAM-OAQYLSRUSA-N -1 0 553.058 7.770 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000027425805 561858454 /nfs/dbraw/zinc/85/84/54/561858454.db2.gz PCXMELFTIIQIIF-PJXYRSHTSA-N -1 0 707.871 6.907 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000027427292 561858698 /nfs/dbraw/zinc/85/86/98/561858698.db2.gz BHJMRSIHXIHXAS-UUBJYFFXSA-N -1 0 707.871 6.907 1 0 KKAFRM CCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027430394 561859210 /nfs/dbraw/zinc/85/92/10/561859210.db2.gz ZFRCSMMBLAERFG-DFHRPNOPSA-N -1 0 511.640 5.374 1 0 KKAFRM O=C([O-])CCCCC[C@H](CNS(=O)(=O)c1ccc(-c2cccc3ccccc32)cc1)c1cccnc1 ZINC000027438298 561860429 /nfs/dbraw/zinc/86/04/29/561860429.db2.gz HCYOYYHPEAJSJI-RUZDIDTESA-N -1 0 502.636 5.999 1 0 KKAFRM C[C@@H]1CCCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)[O-])CC4)c3)nc21 ZINC000027522279 561864417 /nfs/dbraw/zinc/86/44/17/561864417.db2.gz DUCNKECWDRIBHL-DGDRDBHFSA-N -1 0 569.811 8.581 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027522189 561864437 /nfs/dbraw/zinc/86/44/37/561864437.db2.gz NMVZMWYBCUPLBD-DEOSSOPVSA-N -1 0 663.264 10.011 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCSc2ccccc2C(=O)[O-])c3S1 ZINC000027518898 561862723 /nfs/dbraw/zinc/86/27/23/561862723.db2.gz YPDSGRXUCSJNAX-VWLOTQADSA-N -1 0 677.291 10.054 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(COC(=S)N(C)C)c2C)c1Cl ZINC000027521620 561864164 /nfs/dbraw/zinc/86/41/64/561864164.db2.gz DJPQXOAZJOKLTI-UHFFFAOYSA-N -1 0 557.119 5.039 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc4ccccc4n2)n(Cc2ccc(Cl)cc2)c(COc2ccccc2CC(=O)[O-])c3S1 ZINC000027523087 561864760 /nfs/dbraw/zinc/86/47/60/561864760.db2.gz WZPNCYRGLMYKCE-HSZRJFAPSA-N -1 0 635.185 8.713 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)C(C)(C)CC3)c1 ZINC000027523423 561864941 /nfs/dbraw/zinc/86/49/41/561864941.db2.gz CKLRKPMEGUXCIX-KHBSKBJESA-N -1 0 569.811 8.365 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CCC3)c1 ZINC000027523946 561865330 /nfs/dbraw/zinc/86/53/30/561865330.db2.gz YPGHWRLRDCDOMY-ILZHQVLHSA-N -1 0 541.757 7.630 1 0 KKAFRM CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1cnc(C)nc1N)[C@@H](C)CC ZINC000027553014 561868510 /nfs/dbraw/zinc/86/85/10/561868510.db2.gz KFDDSLXXEXBNTO-NLVSJJSZSA-N -1 0 744.915 5.114 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000027619172 561872339 /nfs/dbraw/zinc/87/23/39/561872339.db2.gz RBNATQNVXVWQNG-LEKIWYMHSA-N -1 0 512.731 6.983 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1-c1ccccc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027638993 561874946 /nfs/dbraw/zinc/87/49/46/561874946.db2.gz LEQDZBZHKRGFDK-UXNRMSELSA-N -1 0 521.569 5.526 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)C(=O)[O-])cc1 ZINC000027708637 561879348 /nfs/dbraw/zinc/87/93/48/561879348.db2.gz DAXARQWUAAGHQQ-ZPXDMRBBSA-N -1 0 679.022 5.951 1 0 KKAFRM CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000027709530 561879443 /nfs/dbraw/zinc/87/94/43/561879443.db2.gz PLFQYVHLSBEAJT-HOFKKMOUSA-N -1 0 542.120 6.972 1 0 KKAFRM CC(C)C(=O)O[C@@H](C)OP(=O)(O[C@H](C)OC(=O)C(C)C)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000027721418 561880627 /nfs/dbraw/zinc/88/06/27/561880627.db2.gz FAMWYRPHFNHNHC-XLGIIRLISA-N -1 0 614.650 6.332 1 0 KKAFRM CCC(=O)O[C@H](C)OP(=O)(O[C@@H](C)OC(=O)CC)[C@@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-] ZINC000027722695 561880740 /nfs/dbraw/zinc/88/07/40/561880740.db2.gz XPLZQSPWTZOHEJ-VWGKQUJBSA-N -1 0 608.731 7.615 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)S(=O)(=O)[O-] ZINC000027722815 561880779 /nfs/dbraw/zinc/88/07/79/561880779.db2.gz BIGLRRPOZQRLMH-BBBQOPIRSA-N -1 0 636.785 8.110 1 0 KKAFRM CCCCCCC(=O)OCOP(=O)(OCOC(=O)CCCCCC)[C@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-] ZINC000027723870 561880795 /nfs/dbraw/zinc/88/07/95/561880795.db2.gz ACVCJMQIXTWXOO-QVSQWDGQSA-N -1 0 692.893 9.958 1 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2ccccc2F)[C@H](C(=O)[O-])C3)c1 ZINC000027729394 561881141 /nfs/dbraw/zinc/88/11/41/561881141.db2.gz PLPMGZRZFNVIRK-ZUTVHTERSA-N -1 0 713.281 5.674 1 0 KKAFRM CCC(=O)O[C@H](C)OP(=O)(O[C@@H](C)OC(=O)CC)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000027735963 561881892 /nfs/dbraw/zinc/88/18/92/561881892.db2.gz CTIZUTFJLUQZCE-CUVVAGTFSA-N -1 0 586.596 5.840 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@@H](O)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027764207 561884531 /nfs/dbraw/zinc/88/45/31/561884531.db2.gz PJUKABGUVXKGFB-HRVFRSNESA-N -1 0 552.696 6.245 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncc(Cc3ccccc3)c2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027765944 561884568 /nfs/dbraw/zinc/88/45/68/561884568.db2.gz DHFWHKTUMKQUFQ-NMRIGVFYSA-N -1 0 536.697 6.754 1 0 KKAFRM CCc1nc2c(nccc2C)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000027844657 561885383 /nfs/dbraw/zinc/88/53/83/561885383.db2.gz FAKVRMWLQYUASM-UHFFFAOYSA-N -1 0 593.425 6.788 1 0 KKAFRM Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027860988 561886996 /nfs/dbraw/zinc/88/69/96/561886996.db2.gz RPGAWOPBDGTDLP-UHFFFAOYSA-N -1 0 614.820 7.242 1 0 KKAFRM CC(C)(C)CC(C)(C)c1cc(Cc2ccccc2)c2c(c1)OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027868300 561887990 /nfs/dbraw/zinc/88/79/90/561887990.db2.gz OTFQBRFHRQUHSM-UHFFFAOYSA-N -1 0 690.918 8.525 1 0 KKAFRM CC(C)(C)c1ccc(OC[C@H]2COc3ccccc3OCCOCCOCCOCc3cc(C(C)(C)C)cc(c3C(=O)[O-])CO2)cc1 ZINC000027868306 561887998 /nfs/dbraw/zinc/88/79/98/561887998.db2.gz DYXHLLDYMXYWIX-YTTGMZPUSA-N -1 0 650.809 6.965 1 0 KKAFRM CN(CC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027870124 561888252 /nfs/dbraw/zinc/88/82/52/561888252.db2.gz QGEKWHBUGJDNRH-LDLOPFEMSA-N -1 0 670.702 7.115 1 0 KKAFRM CN(CCCNC(=O)c1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027880710 561889020 /nfs/dbraw/zinc/88/90/20/561889020.db2.gz GLOHBWCBAUMDKA-YTTGMZPUSA-N -1 0 594.604 5.987 1 0 KKAFRM Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCC(=O)[O-])[n+]1Cc1cccs1 ZINC000027889038 561889632 /nfs/dbraw/zinc/88/96/32/561889632.db2.gz MXGKFFWNFMULGG-GGXMVOPNSA-O -1 0 725.743 5.339 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(-c3ccccn3)nc2OCCOc2ncc(Br)cn2)cc1 ZINC000027978969 561891430 /nfs/dbraw/zinc/89/14/30/561891430.db2.gz CILITEGULAWVQL-UHFFFAOYSA-N -1 0 675.609 6.623 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(Cc2ccccc2)s1 ZINC000028013216 561896674 /nfs/dbraw/zinc/89/66/74/561896674.db2.gz FNOGBKGDOUJWGR-WUFINQPMSA-N -1 0 615.800 6.314 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000028013200 561896758 /nfs/dbraw/zinc/89/67/58/561896758.db2.gz RDDGVDXVIDYSSC-FSSWDIPSSA-N -1 0 589.680 5.390 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCCNS(=O)(=O)c1cccs1 ZINC000028021444 561898491 /nfs/dbraw/zinc/89/84/91/561898491.db2.gz HDWHUKBOFNHSSO-UHFFFAOYSA-N -1 0 710.860 5.642 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@@H]2CCCc3ccccc32)nc1C(=O)[O-] ZINC000028088475 561899520 /nfs/dbraw/zinc/89/95/20/561899520.db2.gz LMXDEICEQNKLIC-KWXIBIRDSA-N -1 0 585.705 5.364 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCCCCC2)nc1C(=O)[O-] ZINC000028096345 561900896 /nfs/dbraw/zinc/90/08/96/561900896.db2.gz RZADOOUROLICHA-BJKOFHAPSA-N -1 0 551.688 5.010 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(-c3ccccn3)cn2)cc1 ZINC000028103162 561901949 /nfs/dbraw/zinc/90/19/49/561901949.db2.gz YAPUFQGPVLJLBL-UHFFFAOYSA-N -1 0 596.713 5.860 1 0 KKAFRM CC(C)(C)OC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028106564 561902296 /nfs/dbraw/zinc/90/22/96/561902296.db2.gz IWFVOHXVHVSHGY-UHFFFAOYSA-N -1 0 559.475 5.632 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000028125669 561904871 /nfs/dbraw/zinc/90/48/71/561904871.db2.gz SNJBXDLDMOELSK-PMACEKPBSA-N -1 0 580.300 5.272 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Br)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028129655 561905524 /nfs/dbraw/zinc/90/55/24/561905524.db2.gz VGGVARMTWYVYGL-PMACEKPBSA-N -1 0 534.193 5.717 1 0 KKAFRM COc1ccc([C@H](c2c([O-])cc3oc(-c4ccccc4)cc(=O)c3c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000028220850 561907264 /nfs/dbraw/zinc/90/72/64/561907264.db2.gz NITWTRKENZMDSS-LJAQVGFWSA-N -1 0 536.580 6.249 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc(C(F)(F)F)c1 ZINC000028335069 561913162 /nfs/dbraw/zinc/91/31/62/561913162.db2.gz PMMFHKXXIHYTBL-XMMPIXPASA-N -1 0 637.526 8.711 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N3CCC[C@@H]3C(=O)[O-])CC[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 ZINC000028334835 561913173 /nfs/dbraw/zinc/91/31/73/561913173.db2.gz GIGRQXTYORXVQZ-XTBWIAKSSA-N -1 0 553.828 7.225 1 0 KKAFRM CCC(=O)N(CC(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028336983 561913492 /nfs/dbraw/zinc/91/34/92/561913492.db2.gz GPXMWXJMSRGOMK-QHCPKHFHSA-N -1 0 541.475 7.056 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000028337361 561913638 /nfs/dbraw/zinc/91/36/38/561913638.db2.gz BJRDRKOWQXJANR-PMACEKPBSA-N -1 0 630.744 5.805 1 0 KKAFRM CC(C)c1ccc2c(c1)c(C(=O)CSC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000028341184 561914092 /nfs/dbraw/zinc/91/40/92/561914092.db2.gz IWVRJWTWVFOTMA-UHFFFAOYSA-N -1 0 514.131 7.834 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](C(=O)[O-])N2C(=O)c3cc(I)ccc3NC(=O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000028342487 561914379 /nfs/dbraw/zinc/91/43/79/561914379.db2.gz ZZCIFFMKXWTSJV-GOTSBHOMSA-N -1 0 602.856 6.204 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(I)c1 ZINC000028343475 561914508 /nfs/dbraw/zinc/91/45/08/561914508.db2.gz QHTQZPBBQSXYLJ-FQEVSTJZSA-N -1 0 539.291 5.778 1 0 KKAFRM CCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352462 561915672 /nfs/dbraw/zinc/91/56/72/561915672.db2.gz FXNGYKSGVMSVJB-XMMPIXPASA-N -1 0 613.582 8.090 1 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AMDUIECUXLRJFN-UHFFFAOYSA-N -1 0 608.969 7.028 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000028455671 561923590 /nfs/dbraw/zinc/92/35/90/561923590.db2.gz LWFGKMLICQWLKL-KXQOOQHDSA-N -1 0 589.732 8.701 1 0 KKAFRM Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@](C)(Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000028458268 561924426 /nfs/dbraw/zinc/92/44/26/561924426.db2.gz OWGYDBJOWZBKDM-DHUJRADRSA-N -1 0 547.651 7.712 1 0 KKAFRM C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(C(=O)[O-])=C[C@]4(C)C3=CC[C@]12C ZINC000028470627 561926893 /nfs/dbraw/zinc/92/68/93/561926893.db2.gz GMIUDUZJEORGGJ-KCSAZQSESA-N -1 0 500.720 5.940 1 0 KKAFRM CCCc1c(Oc2c(C)n(-c3noc4cc(Cl)ccc43)c3ccc(OC(F)(F)F)cc32)cccc1O[C@@H](C)C(=O)[O-] ZINC000028471450 561926991 /nfs/dbraw/zinc/92/69/91/561926991.db2.gz WLGXFXGRFFNSMF-INIZCTEOSA-N -1 0 588.966 8.229 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028471233 561927018 /nfs/dbraw/zinc/92/70/18/561927018.db2.gz CMOZJLFRVAPBQF-RITFSESDSA-N -1 0 644.809 5.746 1 0 KKAFRM O=C([O-])[C@@]1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000028474099 561927513 /nfs/dbraw/zinc/92/75/13/561927513.db2.gz YPBFUAJSFFYEOF-RUZDIDTESA-N -1 0 522.903 6.088 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Sc2ccnc3cc(C(F)(F)F)ccc32)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475440 561927926 /nfs/dbraw/zinc/92/79/26/561927926.db2.gz OZCBJKVOPWTBBS-YKMRHESGSA-N -1 0 703.824 6.359 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Sc2nc3ccccc3s2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475504 561927964 /nfs/dbraw/zinc/92/79/64/561927964.db2.gz SBUIFLNUJDRFHZ-PNWBBWMBSA-N -1 0 641.856 5.402 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Sc2ccc(Br)cc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475493 561927967 /nfs/dbraw/zinc/92/79/67/561927967.db2.gz WENYWFZFOOANMI-YQAJTNRGSA-N -1 0 663.675 5.555 1 0 KKAFRM COc1ccc2nc(-n3c(C)c(Cc4cccc(O[C@@H](C)C(=O)[O-])c4)c4cc(OC(F)(F)F)ccc43)ccc2c1 ZINC000028475763 561927998 /nfs/dbraw/zinc/92/79/98/561927998.db2.gz HFDQWXYALPKUQX-SFHVURJKSA-N -1 0 550.533 6.837 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccnc2-c2ccsc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028476746 561928240 /nfs/dbraw/zinc/92/82/40/561928240.db2.gz IYDTYNARAMRYAC-KTGNPEENSA-N -1 0 651.826 5.203 1 0 KKAFRM CC(C)(C)C1CCC2(CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000028526086 561931836 /nfs/dbraw/zinc/93/18/36/561931836.db2.gz OPAREUQRVUATSW-UHFFFAOYSA-N -1 0 504.549 6.701 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3ncccc3c(Oc3ccc(-c4cc(C(F)(F)F)c[nH]4)cc3)c2C(=O)[O-])cc1 ZINC000028528348 561932890 /nfs/dbraw/zinc/93/28/90/561932890.db2.gz BNGZAEOPLOUWIH-UHFFFAOYSA-N -1 0 519.523 7.827 1 0 KKAFRM CCc1ccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c2c1OC(C)C ZINC000028526329 561931958 /nfs/dbraw/zinc/93/19/58/561931958.db2.gz HOXYEQZQHOZJQN-NDEPHWFRSA-N -1 0 592.714 6.398 1 0 KKAFRM Cc1c(C(=O)Nc2ccc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)cc2)oc2ccc(Cl)c(OC(C)C)c12 ZINC000028526331 561931968 /nfs/dbraw/zinc/93/19/68/561931968.db2.gz FXZROVPZUUATHR-SANMLTNESA-N -1 0 599.105 6.489 1 0 KKAFRM CCc1ccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c2c1OCc1ccccc1 ZINC000028526493 561932079 /nfs/dbraw/zinc/93/20/79/561932079.db2.gz RPOIZUWTBLHTNU-YTTGMZPUSA-N -1 0 640.758 7.189 1 0 KKAFRM C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C(=O)[O-])cc1)N(Cc1cccnc1)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000028707843 561950342 /nfs/dbraw/zinc/95/03/42/561950342.db2.gz ARTJQOYGMHOOML-HXUWFJFHSA-N -1 0 586.570 5.830 1 0 KKAFRM CCN1c2ccc(C(C)=O)cc2N=C(c2ccc(C(=O)[O-])cc2F)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708900 561950566 /nfs/dbraw/zinc/95/05/66/561950566.db2.gz DRLADIVXUVDIQQ-UHFFFAOYSA-N -1 0 512.625 7.716 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(SCC(=O)[O-])c2)C1=O ZINC000028655830 561946798 /nfs/dbraw/zinc/94/67/98/561946798.db2.gz HUOIRVSSWJKCQP-UHFFFAOYSA-N -1 0 564.708 5.644 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc3c2ccn3CC(=O)[O-])C1=O ZINC000028655895 561946846 /nfs/dbraw/zinc/94/68/46/561946846.db2.gz CKFFHZHALRTQOD-UHFFFAOYSA-N -1 0 571.678 5.506 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3cccc(C(=O)[O-])c3)c2)C1=O ZINC000028655860 561946864 /nfs/dbraw/zinc/94/68/64/561946864.db2.gz WFEXFFRNIOUBQX-UHFFFAOYSA-N -1 0 594.712 6.832 1 0 KKAFRM Cc1cc(SC[C@H](COc2ccc(C(F)(F)F)cc2)OCc2ccccc2)ccc1OCC(=O)[O-] ZINC000028704746 561948767 /nfs/dbraw/zinc/94/87/67/561948767.db2.gz MOYBWNXSKZNSDG-QFIPXVFZSA-N -1 0 506.542 6.234 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cc1ccc(OCCCCOc2ccc(CC(=O)[O-])cc2Cl)cc1 ZINC000028712405 561952922 /nfs/dbraw/zinc/95/29/22/561952922.db2.gz HNNFHGGJMOTZGG-UHFFFAOYSA-N -1 0 510.030 5.449 1 0 KKAFRM COc1cc(-c2cc(-c3ccc(-c4c5ccccc5sc4Cc4ccccc4)cc3)ccc2OCC(=O)[O-])cc(OC)c1OC ZINC000028758931 561957442 /nfs/dbraw/zinc/95/74/42/561957442.db2.gz CHIIJWJJKBQFAG-UHFFFAOYSA-N -1 0 616.735 8.982 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CC(C)C)O2 ZINC000028713535 561954056 /nfs/dbraw/zinc/95/40/56/561954056.db2.gz UMFCCJNOJNPPKB-ITOWZWGRSA-N -1 0 502.736 8.125 1 0 KKAFRM O=C([O-])[C@H](CCc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1 ZINC000028757302 561956704 /nfs/dbraw/zinc/95/67/04/561956704.db2.gz XBQUMIHDPQFCHJ-UMSFTDKQSA-N -1 0 538.643 8.822 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(O[C@H](Cc3ccccc3)C(=O)[O-])c(Br)c2)cc1 ZINC000028757354 561956829 /nfs/dbraw/zinc/95/68/29/561956829.db2.gz HMJWFQLALKQLPM-HHHXNRCGSA-N -1 0 701.333 9.603 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4oc3[C@H](O)c3ccccc3)cc2)cc1 ZINC000028757728 561956924 /nfs/dbraw/zinc/95/69/24/561956924.db2.gz YQQYSUVYYHJQSV-ZFEZZJPFSA-N -1 0 540.615 7.923 1 0 KKAFRM CCCCCC[C@@H](Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1Br)C(=O)[O-] ZINC000028757964 561957090 /nfs/dbraw/zinc/95/70/90/561957090.db2.gz HXJGQXHMYYXNGF-WJOKGBTCSA-N -1 0 676.445 10.685 1 0 KKAFRM O=C([O-])CCc1cc(Cc2ccc(-c3ccccc3)cc2)cc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028769511 561960894 /nfs/dbraw/zinc/96/08/94/561960894.db2.gz SLINFHKYKGOVFM-GDLZYMKVSA-N -1 0 560.115 6.451 1 0 KKAFRM COc1cc2c(cc1OCc1ccccc1)n(Cc1ccc3c(c1)OCO3)c(C(=O)[O-])c2Sc1cc(OC)c(OC)c(OC)c1 ZINC000028770448 561961096 /nfs/dbraw/zinc/96/10/96/561961096.db2.gz UWDFQTODSZRCKT-UHFFFAOYSA-N -1 0 629.687 6.881 1 0 KKAFRM COc1ccc(Sc2c3cc4c(cc3n(Cc3ccc5c(c3)OCO5)c2C(=O)[O-])OCO4)cc1OC ZINC000028771073 561961365 /nfs/dbraw/zinc/96/13/65/561961365.db2.gz QLKHVLXMFAFDAZ-UHFFFAOYSA-N -1 0 507.520 5.014 1 0 KKAFRM CC(C)c1onc(-c2ccc3ccccc3c2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000028816335 561964053 /nfs/dbraw/zinc/96/40/53/561964053.db2.gz SIYWGAPWWOOXAT-ZHACJKMWSA-N -1 0 524.016 8.719 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1ccccc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820948 561966002 /nfs/dbraw/zinc/96/60/02/561966002.db2.gz GEHIRJMEUQTBLA-NDEPHWFRSA-N -1 0 515.565 6.560 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820912 561966039 /nfs/dbraw/zinc/96/60/39/561966039.db2.gz YLPXNOQALWDINV-NDEPHWFRSA-N -1 0 594.461 7.322 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820987 561966166 /nfs/dbraw/zinc/96/61/66/561966166.db2.gz GXWMURTXKWUKDW-NDEPHWFRSA-N -1 0 599.561 7.458 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1ccc(OC(F)(F)F)cc1)c1c(=O)oc2ccc(Cl)cc2c1[O-])c1ccccc1 ZINC000028820989 561966176 /nfs/dbraw/zinc/96/61/76/561966176.db2.gz ORXSKMCFUJVQDQ-MUUNZHRXSA-N -1 0 634.006 8.112 1 0 KKAFRM O=C([O-])COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCCO2 ZINC000028822319 561966902 /nfs/dbraw/zinc/96/69/02/561966902.db2.gz CUOCCHDGPRTEAX-UHFFFAOYSA-N -1 0 504.526 6.365 1 0 KKAFRM Cc1nc(-c2c(Cl)cc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3([N-]C(=O)C(F)(F)F)CC3)c(F)c2)no1 ZINC000028822434 561966977 /nfs/dbraw/zinc/96/69/77/561966977.db2.gz JBTKHVZFFYJONU-SNVBAGLBSA-N -1 0 545.320 5.546 1 0 KKAFRM O=C([O-])COc1ccc(SCc2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000028822482 561967001 /nfs/dbraw/zinc/96/70/01/561967001.db2.gz MQQUYERLSYUAIA-UHFFFAOYSA-N -1 0 504.526 6.409 1 0 KKAFRM CCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824091 561968803 /nfs/dbraw/zinc/96/88/03/561968803.db2.gz LYCNMFMZQGELCV-UHFFFAOYSA-N -1 0 603.738 8.695 1 0 KKAFRM CCCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824136 561969083 /nfs/dbraw/zinc/96/90/83/561969083.db2.gz VAFFHZBDEGTWSE-UHFFFAOYSA-N -1 0 559.732 7.136 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824152 561969119 /nfs/dbraw/zinc/96/91/19/561969119.db2.gz SLZYVQMHIHSJEZ-UHFFFAOYSA-N -1 0 593.749 7.785 1 0 KKAFRM Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc(Oc2ccc(OC(C)(C)C(=O)[O-])c(C)c2)c1 ZINC000028825474 561970769 /nfs/dbraw/zinc/97/07/69/561970769.db2.gz LJWSDVCKSQBSFM-UHFFFAOYSA-N -1 0 519.491 6.426 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(C3CCCCC3)nc2c1 ZINC000028880001 561976665 /nfs/dbraw/zinc/97/66/65/561976665.db2.gz HXNQFCYTLVVWRT-NDEPHWFRSA-N -1 0 536.607 6.391 1 0 KKAFRM O=C([O-])COc1ccc2c3ccccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1 ZINC000028883042 561977442 /nfs/dbraw/zinc/97/74/42/561977442.db2.gz RRRMRJSUUORMPE-UHFFFAOYSA-N -1 0 517.403 5.533 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3N3CCOCC3)cc1F)n2C1CCCCC1 ZINC000028894030 561978659 /nfs/dbraw/zinc/97/86/59/561978659.db2.gz OZBPWGOVWZUWRL-UHFFFAOYSA-N -1 0 529.612 6.461 1 0 KKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc4c(cc3o2)OCO4)c1)C(=O)[O-] ZINC000028900721 561979839 /nfs/dbraw/zinc/97/98/39/561979839.db2.gz ZJHMLHBLYRTTLG-QHCPKHFHSA-N -1 0 504.539 5.274 1 0 KKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(CCc3ccccc3)cc(CCc3ccccc3)c2)cc1)C(=O)[O-] ZINC000028948425 561980330 /nfs/dbraw/zinc/98/03/30/561980330.db2.gz SFMPCCSZQLOKBC-AJPIAVEZSA-N -1 0 534.696 7.381 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NCc1ccc(C(=O)N(C)C)cc1 ZINC000028951279 561981577 /nfs/dbraw/zinc/98/15/77/561981577.db2.gz GYWASQOMBAVHCU-LOYHVIPDSA-N -1 0 643.756 5.693 1 0 KKAFRM COc1ccc(COc2ccc([C@@](O)(C(=O)[O-])C(F)(F)F)cc2OCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000028961536 561984353 /nfs/dbraw/zinc/98/43/53/561984353.db2.gz XNFFOPXGGIYDLE-MUUNZHRXSA-N -1 0 608.034 6.816 1 0 KKAFRM COCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972134 561985986 /nfs/dbraw/zinc/98/59/86/561985986.db2.gz SWOPRZXVWFJBNG-GOSISDBHSA-N -1 0 512.550 5.188 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1 ZINC000028973906 561986268 /nfs/dbraw/zinc/98/62/68/561986268.db2.gz XCUQHJJAOKKHJS-PQHLKRTFSA-N -1 0 564.663 5.192 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCC(F)(F)F)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973561 561986269 /nfs/dbraw/zinc/98/62/69/561986269.db2.gz IHXYDMMVEDLUPK-XZOQPEGZSA-N -1 0 540.563 5.283 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC2CCCCC2)cc1 ZINC000028974071 561986287 /nfs/dbraw/zinc/98/62/87/561986287.db2.gz VVOMUIBXQQMBGG-PQHLKRTFSA-N -1 0 570.711 5.724 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977803 561987423 /nfs/dbraw/zinc/98/74/23/561987423.db2.gz UMIIBUJRMKQTQV-JWQCQUIFSA-N -1 0 618.659 5.013 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977869 561987429 /nfs/dbraw/zinc/98/74/29/561987429.db2.gz ZHOJVBCBTIUSRX-VSGBNLITSA-N -1 0 660.740 5.987 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977798 561987444 /nfs/dbraw/zinc/98/74/44/561987444.db2.gz UMIIBUJRMKQTQV-LOSJGSFVSA-N -1 0 618.659 5.013 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977846 561987455 /nfs/dbraw/zinc/98/74/55/561987455.db2.gz YFHWQULUZNBZKU-KAYWLYCHSA-N -1 0 646.713 5.597 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(-c4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977771 561987499 /nfs/dbraw/zinc/98/74/99/561987499.db2.gz WAMRMRXFJBBXMX-LADGPHEKSA-N -1 0 604.632 5.089 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978103 561987578 /nfs/dbraw/zinc/98/75/78/561987578.db2.gz CKXJADBCEBWSHG-VSGBNLITSA-N -1 0 610.733 5.108 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978716 561988001 /nfs/dbraw/zinc/98/80/01/561988001.db2.gz GXMUAXSMPDAKHA-XIFFEERXSA-N -1 0 631.650 9.142 1 0 KKAFRM CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)Oc1ccc(O)c(C(=O)[O-])c1 ZINC000029055468 561995010 /nfs/dbraw/zinc/99/50/10/561995010.db2.gz DXMNWFKLNNYZHA-UHFFFAOYSA-N -1 0 522.578 5.222 1 0 KKAFRM O=C(c1cc(Br)c([O-])c(Br)c1)c1nccc2c3cc(Br)ccc3[nH]c21 ZINC000029042217 561991529 /nfs/dbraw/zinc/99/15/29/561991529.db2.gz MOHJSPJKJDRDEE-UHFFFAOYSA-N -1 0 524.994 5.940 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])c1 ZINC000029045683 561992637 /nfs/dbraw/zinc/99/26/37/561992637.db2.gz XIUDSCBTVUHYMN-JWQCQUIFSA-N -1 0 506.599 5.554 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])cc1 ZINC000029045867 561992760 /nfs/dbraw/zinc/99/27/60/561992760.db2.gz KIAYYQXSCFRAQS-RSXGOPAZSA-N -1 0 520.626 5.629 1 0 KKAFRM O=C([O-])C(F)(F)Oc1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1Br ZINC000029051862 561994512 /nfs/dbraw/zinc/99/45/12/561994512.db2.gz MQXZSCWMXKXGKM-UHFFFAOYSA-N -1 0 610.458 5.415 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2N(C2CCCCCC2)C(=O)N(CC(=O)Nc2cccc(SCC(=O)[O-])c2)C1=O ZINC000029062263 561996045 /nfs/dbraw/zinc/99/60/45/561996045.db2.gz ODMAYKFSTPTMKE-UHFFFAOYSA-N -1 0 594.734 6.008 1 0 KKAFRM COc1c(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123525 561996782 /nfs/dbraw/zinc/99/67/82/561996782.db2.gz VLEIERDKQXJGGW-AREMUKBSSA-N -1 0 562.041 5.747 1 0 KKAFRM Cn1ncc(-c2cccc(OC(F)(F)F)c2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127698 562000241 /nfs/dbraw/zinc/00/02/41/562000241.db2.gz YOVYUHGVQIKEOH-QFIPXVFZSA-N -1 0 606.384 5.745 1 0 KKAFRM O=C([O-])c1nc(CN(C2CCCCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1Cc1ccc2ccccc2c1 ZINC000029128561 562000992 /nfs/dbraw/zinc/00/09/92/562000992.db2.gz STOFABAKBJPYPQ-UHFFFAOYSA-N -1 0 572.514 6.682 1 0 KKAFRM CCOc1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)c(F)c1 ZINC000029129282 562001846 /nfs/dbraw/zinc/00/18/46/562001846.db2.gz DZASLXXZYIZLCE-LLVKDONJSA-N -1 0 507.311 5.587 1 0 KKAFRM O=C([O-])CC/C=C/c1c(Cc2cccnc2)ccc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029203850 562004905 /nfs/dbraw/zinc/00/49/05/562004905.db2.gz OWYOTCJNHQXESB-YDEUJJCCSA-N -1 0 511.043 5.040 1 0 KKAFRM [NH3+][C@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029208992 562005532 /nfs/dbraw/zinc/00/55/32/562005532.db2.gz JDHXZXXLCOKDRZ-AYQJTBPPSA-N -1 0 570.626 5.122 1 0 KKAFRM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212435 562005940 /nfs/dbraw/zinc/00/59/40/562005940.db2.gz FDMPIKHUGAJHCL-JWQCQUIFSA-N -1 0 594.580 5.595 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000029213940 562006162 /nfs/dbraw/zinc/00/61/62/562006162.db2.gz IDKSGHOHJZZRDZ-LEJWATJISA-N -1 0 668.618 6.850 1 0 KKAFRM O=C([O-])Cc1cccc(NC(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000029213375 562006181 /nfs/dbraw/zinc/00/61/81/562006181.db2.gz KJDYOKAFDJUKGM-DEOSSOPVSA-N -1 0 574.505 5.321 1 0 KKAFRM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214574 562006234 /nfs/dbraw/zinc/00/62/34/562006234.db2.gz PJONSQNKGZRMKM-KAYWLYCHSA-N -1 0 616.586 5.647 1 0 KKAFRM CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214786 562006396 /nfs/dbraw/zinc/00/63/96/562006396.db2.gz QQNDAJPOISGIAK-VSGBNLITSA-N -1 0 673.638 5.063 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCCc1ccccc1 ZINC000029216522 562006633 /nfs/dbraw/zinc/00/66/33/562006633.db2.gz KNAQWLKHEMSQKQ-FQLXRVMXSA-N -1 0 687.665 5.153 1 0 KKAFRM C[C@](Cc1ccccc1)(NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029217376 562006730 /nfs/dbraw/zinc/00/67/30/562006730.db2.gz UZPCMZSMKQMINA-FYBSXPHGSA-N -1 0 602.559 5.257 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000029219624 562006918 /nfs/dbraw/zinc/00/69/18/562006918.db2.gz SIHQTWQYBHVGEP-VGIXQKKKSA-N -1 0 654.591 6.460 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5c4)c3)oc12 ZINC000029223324 562007565 /nfs/dbraw/zinc/00/75/65/562007565.db2.gz MDIKUXJIYAVQRI-UHFFFAOYSA-N -1 0 501.332 6.653 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])N(Cc1cncn1C)S(=O)(=O)c1ccccc1 ZINC000029232704 562009388 /nfs/dbraw/zinc/00/93/88/562009388.db2.gz KCGKTDGTUPTPRX-DSXNNPQHSA-N -1 0 660.881 6.601 1 0 KKAFRM CCc1cc(-c2ccc(OCC(=O)[O-])cc2C(C)C)ccc1-c1cccc(Cc2ccc3ccccc3c2)c1 ZINC000029336899 562014408 /nfs/dbraw/zinc/01/44/08/562014408.db2.gz NACHXCODXOLYLO-UHFFFAOYSA-N -1 0 514.665 8.914 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000029388846 562016910 /nfs/dbraw/zinc/01/69/10/562016910.db2.gz WUVJSEREYUFVKJ-ZBJMMJAPSA-N -1 0 601.809 9.009 1 0 KKAFRM C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)COC(=O)c2ccccc2)c2ccc(cc2C(=O)[O-])C[C@@H](O)CC1 ZINC000029404970 562020436 /nfs/dbraw/zinc/02/04/36/562020436.db2.gz CCYACPCPTKBPAH-BLDKECFUSA-N -1 0 504.667 6.802 1 0 KKAFRM CC(C)c1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)sc1Cl ZINC000029394144 562018203 /nfs/dbraw/zinc/01/82/03/562018203.db2.gz FFDNDCRPDFIUAG-YZGDDWERSA-N -1 0 584.247 8.980 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1ccc2ccc(OCC(=O)[O-])cc2c1C(C)=O ZINC000029469042 562025141 /nfs/dbraw/zinc/02/51/41/562025141.db2.gz RHBHCSGKNNYBCZ-UHFFFAOYSA-N -1 0 522.594 5.995 1 0 KKAFRM CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029478430 562026771 /nfs/dbraw/zinc/02/67/71/562026771.db2.gz XKNMPXLJYWBFDU-SSEXGKCCSA-N -1 0 545.701 7.961 1 0 KKAFRM CCCc1cc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029482408 562027661 /nfs/dbraw/zinc/02/76/61/562027661.db2.gz VXPMRWMAUGDZCC-SANMLTNESA-N -1 0 570.689 5.675 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@](C)(C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029547275 562030228 /nfs/dbraw/zinc/03/02/28/562030228.db2.gz UZWQKANUBOZWER-LJAQVGFWSA-N -1 0 512.599 5.546 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@](C)(C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029547271 562030266 /nfs/dbraw/zinc/03/02/66/562030266.db2.gz UZWQKANUBOZWER-GDLZYMKVSA-N -1 0 512.599 5.546 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2)O3)ccc(C(C)=O)c1O ZINC000029547776 562030291 /nfs/dbraw/zinc/03/02/91/562030291.db2.gz ZNRMFMPHTWAJJP-PMERELPUSA-N -1 0 637.751 5.577 1 0 KKAFRM COc1cccc(Sc2c(CCCC(C)=O)onc2[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000029551798 562031172 /nfs/dbraw/zinc/03/11/72/562031172.db2.gz NWILOZSEMRKINM-UHFFFAOYSA-N -1 0 502.658 5.844 1 0 KKAFRM CC(C)N(c1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1)S(=O)(=O)c1ccccc1 ZINC000032016620 562036846 /nfs/dbraw/zinc/03/68/46/562036846.db2.gz NXKGMNJCAIWYJW-MHZLTWQESA-N -1 0 521.679 6.150 1 0 KKAFRM CC(C)c1oc(-c2ccc(Cl)cc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc12 ZINC000034001583 562037961 /nfs/dbraw/zinc/03/79/61/562037961.db2.gz MJHLFPYZTLHAHB-UHFFFAOYSA-N -1 0 503.382 6.940 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2ccc(-c3ccccc3)cc2)cc1 ZINC000034359716 562038814 /nfs/dbraw/zinc/03/88/14/562038814.db2.gz YCJCCXANVWILMI-WJOKGBTCSA-N -1 0 501.626 7.903 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)CCc2ccccc2)c1 ZINC000034717761 562040004 /nfs/dbraw/zinc/04/00/04/562040004.db2.gz GWVGBNLWVXZVGV-UHFFFAOYSA-N -1 0 512.606 5.538 1 0 KKAFRM CCC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000034799774 562040626 /nfs/dbraw/zinc/04/06/26/562040626.db2.gz VJMYLKNTGZJGFQ-RWSKJCERSA-N -1 0 707.817 6.375 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799745 562040635 /nfs/dbraw/zinc/04/06/35/562040635.db2.gz GXAFMKJFWWBYNW-OWHBQTKESA-N -1 0 719.828 6.375 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799741 562040637 /nfs/dbraw/zinc/04/06/37/562040637.db2.gz LCRNDTPQUQXLMU-YIQDYSAESA-N -1 0 617.739 6.205 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2ccccc2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799740 562040671 /nfs/dbraw/zinc/04/06/71/562040671.db2.gz LCRNDTPQUQXLMU-DTKZEWQESA-N -1 0 617.739 6.205 1 0 KKAFRM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4cnc(-c5ccccc5)o4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802390 562041913 /nfs/dbraw/zinc/04/19/13/562041913.db2.gz HKBSSSQFZVTLRZ-UHFFFAOYSA-N -1 0 527.533 5.551 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnn2c1ncc(-c1ccc(F)cc1)c2C1CCCCC1 ZINC000034820236 562043663 /nfs/dbraw/zinc/04/36/63/562043663.db2.gz VRXKLVPUFKAKLK-AREMUKBSSA-N -1 0 525.584 5.490 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088607 562046369 /nfs/dbraw/zinc/04/63/69/562046369.db2.gz AWCLHLGSQOIWDA-WUFINQPMSA-N -1 0 621.140 5.036 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000036175907 562049148 /nfs/dbraw/zinc/04/91/48/562049148.db2.gz QVYYLUKFJCBJPC-PMERELPUSA-N -1 0 519.601 6.095 1 0 KKAFRM O=c1nc(-c2ccc(OC[C@H](COCCCCc3ccccc3)OCCCCc3ccccc3)cc2)[n-]o1 ZINC000035325189 562045237 /nfs/dbraw/zinc/04/52/37/562045237.db2.gz MUZUONAGBCKECO-LJAQVGFWSA-N -1 0 516.638 6.269 1 0 KKAFRM CCCS(=O)(=O)[N-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 ZINC000035881309 562045630 /nfs/dbraw/zinc/04/56/30/562045630.db2.gz JAGMAGAJWLPFFE-UHFFFAOYSA-N -1 0 511.402 5.167 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000036238188 562051871 /nfs/dbraw/zinc/05/18/71/562051871.db2.gz CLHVJDANODTXIQ-MHZLTWQESA-N -1 0 501.583 5.545 1 0 KKAFRM C[C@@H](CC[C@H](SCCCC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)[O-] ZINC000036268334 562052335 /nfs/dbraw/zinc/05/23/35/562052335.db2.gz ZEPLUTQFLQVBBH-SXPUROTRSA-N -1 0 526.142 8.275 1 0 KKAFRM CCOC(=O)Nc1ccccc1CC[C@@H](SC[C@H](CC)C(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268404 562052430 /nfs/dbraw/zinc/05/24/30/562052430.db2.gz DFENYAUXMPKISO-NRUKRWIHSA-N -1 0 605.200 8.760 1 0 KKAFRM CC[C@H](CS[C@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268415 562052479 /nfs/dbraw/zinc/05/24/79/562052479.db2.gz KFPTUNJJKOMORB-IIMAJNMQSA-N -1 0 602.160 7.176 1 0 KKAFRM CC[C@@H](CS[C@H](CCc1ccccc1S(C)(=O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268482 562052509 /nfs/dbraw/zinc/05/25/09/562052509.db2.gz GEOZHTBWXVDYEL-KCWXNJEJSA-N -1 0 598.186 7.389 1 0 KKAFRM C[C@H](CS[C@H](CCc1ccccc1C(=O)N(C)C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268440 562052511 /nfs/dbraw/zinc/05/25/11/562052511.db2.gz HZJBQKBZJJGRBH-IIMAJNMQSA-N -1 0 577.146 7.297 1 0 KKAFRM CC(C)c1ccccc1CC[C@H](SC[C@@H](C)C(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268508 562052680 /nfs/dbraw/zinc/05/26/80/562052680.db2.gz FFZJFMQZNAAZIG-UVDDSOTQSA-N -1 0 548.148 8.718 1 0 KKAFRM Cc1ccc(-c2cc(COc3ccc(OCC(=O)[O-])c(C)c3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000037866904 562062257 /nfs/dbraw/zinc/06/22/57/562062257.db2.gz MDCHNYCJVBTPBK-UHFFFAOYSA-N -1 0 506.520 7.699 1 0 KKAFRM COc1cc(C/C=C/c2ccccc2/C=C/C(=O)[N-]S(=O)(=O)c2cccs2)ccc1OCc1ccccc1 ZINC000036349249 562057913 /nfs/dbraw/zinc/05/79/13/562057913.db2.gz JJCRBJIDRBAGOY-AEVILUGTSA-N -1 0 545.682 6.110 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387324 562060236 /nfs/dbraw/zinc/06/02/36/562060236.db2.gz GWJMIQRTXTVVQR-ZEQRLZLVSA-N -1 0 502.419 6.190 3 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036387329 562060238 /nfs/dbraw/zinc/06/02/38/562060238.db2.gz IWVVMBKSZBJCJF-ZEQRLZLVSA-N -1 0 518.418 5.890 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387355 562060250 /nfs/dbraw/zinc/06/02/50/562060250.db2.gz FFCMCWSWEYCDNZ-SVBPBHIXSA-N -1 0 510.055 6.660 3 0 KKAFRM Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COC3CCC(C(=O)[O-])CC3)cc2o1 ZINC000040401111 562074565 /nfs/dbraw/zinc/07/45/65/562074565.db2.gz CTRIJHIVZHRDHX-INAZGPRKSA-N -1 0 509.578 5.021 1 0 KKAFRM C[C@H](SCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158077 562070076 /nfs/dbraw/zinc/07/00/76/562070076.db2.gz NKIWADZHZNTNNU-GOTSBHOMSA-N -1 0 629.247 8.770 1 0 KKAFRM C[C@H](SCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158076 562070080 /nfs/dbraw/zinc/07/00/80/562070080.db2.gz NKIWADZHZNTNNU-PKTZIBPZSA-N -1 0 629.247 8.770 1 0 KKAFRM Cc1ccc(S(=O)(=O)Nc2c(C)c(Cc3ccc(C(=O)[O-])cc3)cc3c2C(C)(C)CCC3(C)C)cc1 ZINC000038218159 562070543 /nfs/dbraw/zinc/07/05/43/562070543.db2.gz WTZIWMGFWYHIQE-UHFFFAOYSA-N -1 0 505.680 6.742 1 0 KKAFRM O=C([O-])CCCCN1c2ccc(I)cc2C(=O)N([C@H](c2ccc(Cl)cc2)C2CC2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000038377633 562071465 /nfs/dbraw/zinc/07/14/65/562071465.db2.gz LAGSUCCODRLQKW-NSOVKSMOSA-N -1 0 677.366 7.534 1 0 KKAFRM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(Cc2ccncc2)C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000038377647 562071469 /nfs/dbraw/zinc/07/14/69/562071469.db2.gz GCTUOYWCMFLXSC-CLJLJLNGSA-N -1 0 672.306 6.549 1 0 KKAFRM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377636 562071505 /nfs/dbraw/zinc/07/15/05/562071505.db2.gz KXKHVDIJDBRCHO-UIOOFZCWSA-N -1 0 695.337 6.297 1 0 KKAFRM Cc1c(CC(=O)[O-])c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1Cl ZINC000038456322 562072046 /nfs/dbraw/zinc/07/20/46/562072046.db2.gz VVMZTWUJULFMLF-IBGZPJMESA-N -1 0 504.970 5.195 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(C(=O)[O-])c3)sc2c1 ZINC000039289518 562073040 /nfs/dbraw/zinc/07/30/40/562073040.db2.gz WPHVYHBQJIXGIJ-UHFFFAOYSA-N -1 0 538.452 8.931 1 0 in-vitro KKAFRM COc1ccc2c(c1)onc2-c1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2cc(OC(F)(F)F)ccc21 ZINC000039958438 562073163 /nfs/dbraw/zinc/07/31/63/562073163.db2.gz SCDKVHCGNOYKFK-HNNXBMFYSA-N -1 0 574.939 7.219 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccc(Cl)cc2)[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040379313 562073275 /nfs/dbraw/zinc/07/32/75/562073275.db2.gz DHHBDJLDUWSXEL-YAQIIAKESA-N -1 0 518.393 5.168 1 0 KKAFRM COc1ccc(C(=O)c2c(C)n(Cc3ccc(Cl)c(O[C@@H](C)C(=O)[O-])c3)c3nc(OC)ccc23)cc1 ZINC000040392899 562073829 /nfs/dbraw/zinc/07/38/29/562073829.db2.gz DKWFEIFAARXAGM-INIZCTEOSA-N -1 0 508.958 5.147 1 0 KKAFRM C[C@H]1COc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000040393232 562073926 /nfs/dbraw/zinc/07/39/26/562073926.db2.gz PSSLCVRCOSBDAA-HNNXBMFYSA-N -1 0 502.502 5.048 1 0 KKAFRM CCC(CC)(c1ccc(OCC(=O)[O-])c(C)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)c(C)c1 ZINC000038156691 562068452 /nfs/dbraw/zinc/06/84/52/562068452.db2.gz IMYFRSPHGWDSMW-UHFFFAOYSA-N -1 0 610.578 9.537 1 0 KKAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccccc12)C(=O)[O-] ZINC000040410758 562075206 /nfs/dbraw/zinc/07/52/06/562075206.db2.gz NZVGUNNFYQRWCJ-VWLOTQADSA-N -1 0 513.512 6.476 1 0 KKAFRM CC(=O)OC[C@]12CC[C@@H](O)C(C)(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)[O-])CC[C@]21C ZINC000040411325 562075275 /nfs/dbraw/zinc/07/52/75/562075275.db2.gz FHWNEUNAQWTXBE-ZEWBYLBPSA-N -1 0 514.747 6.777 1 0 KKAFRM CCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000040566787 562078012 /nfs/dbraw/zinc/07/80/12/562078012.db2.gz DMPHLXCNYAYZNW-YTVBWUHWSA-N -1 0 526.802 8.585 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2Cl)[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040846362 562080283 /nfs/dbraw/zinc/08/02/83/562080283.db2.gz RLUGERPKNITYPU-TYOLEZHBSA-N -1 0 518.393 5.168 1 0 KKAFRM O=C([O-])c1cc(Cl)c(Nc2nc3c(ncnc3Nc3ccc(C(F)(F)F)cc3)s2)c(Cl)c1 ZINC000040878659 562082430 /nfs/dbraw/zinc/08/24/30/562082430.db2.gz MPUNXWKCXNTKCE-UHFFFAOYSA-N -1 0 500.289 6.597 1 0 KKAFRM CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)[O-])[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000040878690 562082433 /nfs/dbraw/zinc/08/24/33/562082433.db2.gz JVABUELIHJXLKP-OJBXHVDSSA-N -1 0 510.715 7.070 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2cc(C)c(-c3ccccc3)cc2OC)n1)C(=O)[O-] ZINC000040866922 562081558 /nfs/dbraw/zinc/08/15/58/562081558.db2.gz ORCISIWKCUVQKL-JOCHJYFZSA-N -1 0 500.064 7.373 1 0 KKAFRM C[C@@H](CCc1ccc(OCCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040873529 562081809 /nfs/dbraw/zinc/08/18/09/562081809.db2.gz WMUPUORUMRSPHK-VWLOTQADSA-N -1 0 517.666 5.822 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)c2c1cccc2Oc1ccc2ccccc2c1 ZINC000040874213 562081928 /nfs/dbraw/zinc/08/19/28/562081928.db2.gz UBNSGCTUWHAIHZ-GXDHUFHOSA-N -1 0 518.541 5.920 1 0 KKAFRM CC(C)c1onc(COc2ccccc2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000040875147 562082007 /nfs/dbraw/zinc/08/20/07/562082007.db2.gz NYXNFYNPGCHENS-VAWYXSNFSA-N -1 0 503.982 7.478 1 0 KKAFRM Cc1cc(CNC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)[O-] ZINC000040914459 562083752 /nfs/dbraw/zinc/08/37/52/562083752.db2.gz DHHNCATZTSKAKM-UHFFFAOYSA-N -1 0 513.594 5.147 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H]5OC(C)(C)O[C@@H]5C[C@@]43C)[C@H]2[C@]1(C)O ZINC000070454435 560048313 /nfs/dbraw/zinc/04/83/13/560048313.db2.gz UKGZFGGRLJUNFM-HDYZSDBOSA-N -1 0 528.774 6.974 1 0 biogenic,in-vitro KKAFRM COc1c([O-])c(Cc2cc[nH]c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCC[C@@H](O)C=Cc1ccccc1 ZINC000103533222 560050904 /nfs/dbraw/zinc/05/09/04/560050904.db2.gz SPCYAYDGMQJWEU-REXAPNPKSA-N -1 0 538.576 5.428 1 0 biogenic,in-vitro KKAFRM [O-]c1c(Cl)cc2c(c1Cl)CCc1ccc(O)c(c1)-c1cc(ccc1O)/C=C\c1ccc-2c(O)c1Cl ZINC000085947357 560066242 /nfs/dbraw/zinc/06/62/42/560066242.db2.gz YRJIHLSUELLWET-KTAJNNJTSA-N -1 0 525.815 8.072 1 0 biogenic,in-vitro KKAFRM CC(C)Cc1cc(-c2oc3cc([O-])cc(OCc4cccc(O)c4)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569450 560069859 /nfs/dbraw/zinc/06/98/59/560069859.db2.gz ILIWSLATLCYNLZ-UHFFFAOYSA-N -1 0 538.596 6.651 1 0 biogenic,in-vitro KKAFRM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)CCC[C@H]2Cc2ccc[nH]2)[C@H](O)C1 ZINC000085492756 560075073 /nfs/dbraw/zinc/07/50/73/560075073.db2.gz GXJRZJDDDHEKMP-BCDTWGETSA-N -1 0 516.743 5.800 1 0 biogenic,in-vitro KKAFRM COc1cccc(OC)c1-c1ccc2cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2c1 ZINC000014176012 560220998 /nfs/dbraw/zinc/22/09/98/560220998.db2.gz FAMJWPBIAKZQIJ-QFIPXVFZSA-N -1 0 524.400 6.257 1 0 in-vitro KKAFRM O=C([O-])CCCOc1ccc(Cn2c3ccccc3c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043059005 562645086 /nfs/dbraw/zinc/64/50/86/562645086.db2.gz RPJKRJJYTSLBPJ-UHFFFAOYSA-N -1 0 520.585 5.093 1 0 KKAFRM COc1ccc(-c2ccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)cc2Cl)cc1 ZINC000043060473 562645175 /nfs/dbraw/zinc/64/51/75/562645175.db2.gz HGAIPXFJPBUUBY-UHFFFAOYSA-N -1 0 513.065 7.155 1 0 KKAFRM O=C([O-])c1ccc(OCCn2c(=O)c3ccc(Cl)cc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043069584 562645478 /nfs/dbraw/zinc/64/54/78/562645478.db2.gz GBGJIXJWQHUXMD-UHFFFAOYSA-N -1 0 526.976 5.232 1 0 KKAFRM COCCCc1cccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c21 ZINC000043074775 562645656 /nfs/dbraw/zinc/64/56/56/562645656.db2.gz HESIRWKKCVPIEN-NDEPHWFRSA-N -1 0 578.687 5.627 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(Cl)cc32)cc1 ZINC000043123629 562646239 /nfs/dbraw/zinc/64/62/39/562646239.db2.gz VWXKUHBUBXZWML-BQYQJAHWSA-N -1 0 553.014 5.788 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\NC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043260107 562647217 /nfs/dbraw/zinc/64/72/17/562647217.db2.gz PXXGDOQUYVWXOA-WYWCVNNCSA-N -1 0 574.850 8.595 1 0 KKAFRM O=C([O-])Cc1ccc(-c2noc(C(=O)CCCOc3ccc(Cl)cc3Cl)c2-c2ccccc2)c(Cl)c1 ZINC000043532086 562649242 /nfs/dbraw/zinc/64/92/42/562649242.db2.gz GGXSIOCKTJROCG-UHFFFAOYSA-N -1 0 544.818 7.638 1 0 KKAFRM C[C@H](C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043543901 562649537 /nfs/dbraw/zinc/64/95/37/562649537.db2.gz KBOFEZJJDNYTIV-ZQBVEATNSA-N -1 0 546.749 5.047 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(Cc3cccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)c3)c2c1 ZINC000043544043 562649613 /nfs/dbraw/zinc/64/96/13/562649613.db2.gz BAYGSTGKAYTEQD-FKVJDCKOSA-N -1 0 605.160 6.349 1 0 KKAFRM C[C@H](C(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043628167 562650358 /nfs/dbraw/zinc/65/03/58/562650358.db2.gz OPPNSMHXPFHBDT-LSDSGHOSSA-N -1 0 594.793 5.838 1 0 KKAFRM CCC(=O)O[C@H](C)OP(=O)(O[C@@H](C)OC(=O)CC)[C@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000043911226 562651195 /nfs/dbraw/zinc/65/11/95/562651195.db2.gz CTIZUTFJLUQZCE-DYLHXGEVSA-N -1 0 586.596 5.840 1 0 KKAFRM CCC(=O)O[C@H](C)OP(=O)(O[C@@H](C)OC(=O)CC)[C@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-] ZINC000043911210 562651196 /nfs/dbraw/zinc/65/11/96/562651196.db2.gz XPLZQSPWTZOHEJ-XQQDLCEDSA-N -1 0 608.731 7.615 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044265538 562652825 /nfs/dbraw/zinc/65/28/25/562652825.db2.gz CLYIJNHXCLGLOW-GFDPGFINSA-N -1 0 630.760 10.215 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)CC[C@]23C)C1(C)C ZINC000044280703 562652873 /nfs/dbraw/zinc/65/28/73/562652873.db2.gz HGQZVAAQKMQGQF-NPECMZCVSA-N -1 0 599.853 6.526 1 0 KKAFRM COc1ccc([C@@H](CC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000044305733 562653530 /nfs/dbraw/zinc/65/35/30/562653530.db2.gz MGQQTHHXUITTTB-NEEKEDPPSA-N -1 0 567.642 5.350 1 0 KKAFRM COc1c(Br)cc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1Br ZINC000044352352 562655085 /nfs/dbraw/zinc/65/50/85/562655085.db2.gz JHQGOPADMKBPJH-UHFFFAOYSA-N -1 0 558.846 5.703 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)c6ccc(O)cc6)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000044352284 562655094 /nfs/dbraw/zinc/65/50/94/562655094.db2.gz VGODRAUARQJBJM-JUJRKSAKSA-N -1 0 592.817 7.775 1 0 KKAFRM CC[C@@H](C)[C@H](NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000044352536 562655204 /nfs/dbraw/zinc/65/52/04/562655204.db2.gz LVIRCADOCWBCDI-ACTZYFDTSA-N -1 0 611.908 8.191 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2cc(Cl)c(NC(=O)Nc3ccccc3Cl)cc2F)cc1 ZINC000044358431 562655289 /nfs/dbraw/zinc/65/52/89/562655289.db2.gz BBJDKAQNUQEOHQ-ROUUACIJSA-N -1 0 578.399 6.035 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3cc(F)cc(F)c3)ccc2o1 ZINC000044388350 562656307 /nfs/dbraw/zinc/65/63/07/562656307.db2.gz KXPYKEZMAYGKLF-UHFFFAOYSA-N -1 0 553.521 6.761 1 0 KKAFRM Cc1cnc(SCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)n1-c1ccc(C)cc1Cl ZINC000044430577 562657556 /nfs/dbraw/zinc/65/75/56/562657556.db2.gz OPULJURKAOMYQN-UHFFFAOYSA-N -1 0 540.472 6.821 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCC3(CC2)OCCO3)c(C)c1 ZINC000044430695 562657633 /nfs/dbraw/zinc/65/76/33/562657633.db2.gz PXLOSBDARKDVEX-MHZLTWQESA-N -1 0 545.636 5.525 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000044460340 562657966 /nfs/dbraw/zinc/65/79/66/562657966.db2.gz HUZRXZVIBUNCKL-UHFFFAOYSA-N -1 0 520.969 6.276 1 0 in-vitro KKAFRM COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1OC ZINC000045356789 562661908 /nfs/dbraw/zinc/66/19/08/562661908.db2.gz MOTOKILOGAVSPV-AREMUKBSSA-N -1 0 505.611 5.817 1 0 KKAFRM CCOC(=O)c1c(-c2ccc(-c3ccccc3OC)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000045367348 562662088 /nfs/dbraw/zinc/66/20/88/562662088.db2.gz ZTFDLSMPEOAERU-UHFFFAOYSA-N -1 0 501.560 6.218 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1scc(-c2ccc3ccccc3c2)c1C(=O)OCc1ccccc1 ZINC000045391009 562662585 /nfs/dbraw/zinc/66/25/85/562662585.db2.gz LTAAJRYNIKWAMI-BJKOFHAPSA-N -1 0 513.615 6.755 1 0 KKAFRM O=S(=O)(c1ccc(Oc2ccccc2)cc1)N(CCC(O)(C(F)(F)F)C(F)(F)F)Cc1cccc(O)c1 ZINC000048308819 562663128 /nfs/dbraw/zinc/66/31/28/562663128.db2.gz AUDVPDRLFORCSA-UHFFFAOYSA-N -1 0 549.489 5.621 1 0 KKAFRM C[C@H](NC(=O)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c21)c1ccc(C(=O)[O-])cc1 ZINC000049035251 562663519 /nfs/dbraw/zinc/66/35/19/562663519.db2.gz GRRCVJJBAWZRGZ-HNNXBMFYSA-N -1 0 500.904 6.551 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049037259 562663632 /nfs/dbraw/zinc/66/36/32/562663632.db2.gz UFSWVMXNRSRKKO-UHFFFAOYSA-N -1 0 513.468 6.387 1 0 KKAFRM Cc1cccc([C@@H](NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@H](NC(=O)c2ccc3ccccc3n2)C(=O)[O-])c2cc3ccccc3[nH]2)c1 ZINC000049605942 562666458 /nfs/dbraw/zinc/66/64/58/562666458.db2.gz XAFJDWKTWYKYHX-FVWHUWSRSA-N -1 0 711.819 5.372 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1cc(Br)c(OC)c(OC)c1Br ZINC000049605971 562666462 /nfs/dbraw/zinc/66/64/62/562666462.db2.gz FJMSQNXGEWIXSJ-GDLZYMKVSA-N -1 0 717.499 8.311 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049694832 562669789 /nfs/dbraw/zinc/66/97/89/562669789.db2.gz LJTPOGJBTKOYFA-YZNIXAGQSA-N -1 0 618.978 5.683 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccccc1)c1cnn2c1ncc(-c1ccc(OCc3ccccc3)cc1)c2C1CCCCC1 ZINC000049708569 562670979 /nfs/dbraw/zinc/67/09/79/562670979.db2.gz DWCVXZOZGYFHKA-UHFFFAOYSA-N -1 0 566.683 6.142 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(C(=O)c7ccncc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049722973 562672743 /nfs/dbraw/zinc/67/27/43/562672743.db2.gz LAMFGHKKSASHDM-BXEYLZRDSA-N -1 0 583.817 7.867 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(-c2cn(CC(=O)Nc3ccc(-c4ccccc4)cc3)nn2)c1-c1ccccc1 ZINC000049746096 562674239 /nfs/dbraw/zinc/67/42/39/562674239.db2.gz QEPPCMDGNXQBFR-UHFFFAOYSA-N -1 0 543.583 5.813 1 0 KKAFRM Cc1cccc(N2CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)CC2)c1 ZINC000049746556 562674485 /nfs/dbraw/zinc/67/44/85/562674485.db2.gz HRHFPPMGKJJEKB-YTTGMZPUSA-N -1 0 561.682 5.641 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)c(C)c(C)c2O1 ZINC000049746775 562674601 /nfs/dbraw/zinc/67/46/01/562674601.db2.gz RDEDCEHSABVHPB-GXBYGJLPSA-N -1 0 607.857 9.372 1 0 KKAFRM CCCCC1=NC(Cl)=C(C(=O)OCC)[C@@H](c2ccccc2)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049748477 562674705 /nfs/dbraw/zinc/67/47/05/562674705.db2.gz CXBDONQYBUGBPV-MUUNZHRXSA-N -1 0 531.052 7.211 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@@H]3CCC(=O)N3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049756464 562675055 /nfs/dbraw/zinc/67/50/55/562675055.db2.gz DYVQEUAKSHNAPV-FQEVSTJZSA-N -1 0 543.129 6.544 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(-c2cn(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)nn2)c1-c1ccccc1 ZINC000049761907 562676172 /nfs/dbraw/zinc/67/61/72/562676172.db2.gz PYZISTHYPMUFJL-UHFFFAOYSA-N -1 0 571.637 6.594 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@@H]3CCCN3C(=O)C3CC3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049771785 562678420 /nfs/dbraw/zinc/67/84/20/562678420.db2.gz SHTHCLCPHKDIRH-DEOSSOPVSA-N -1 0 597.221 7.667 1 0 KKAFRM CC(C)NC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000049776245 562679293 /nfs/dbraw/zinc/67/92/93/562679293.db2.gz XTMQYZFYOUNZTG-UHFFFAOYSA-N -1 0 640.155 9.083 1 0 KKAFRM CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6CCC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000049777506 562680122 /nfs/dbraw/zinc/68/01/22/562680122.db2.gz SLOKQICPPORHJP-MGCKRTEFSA-N -1 0 538.813 8.585 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(F)c(F)c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049780862 562682401 /nfs/dbraw/zinc/68/24/01/562682401.db2.gz QHIXDDSNNSRLKC-FNORWQNLSA-N -1 0 579.380 5.490 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3nc4ccccc4s3)CC2)c1 ZINC000049781103 562682640 /nfs/dbraw/zinc/68/26/40/562682640.db2.gz FEGDWYJEODZYLW-UHFFFAOYSA-N -1 0 607.798 6.530 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ccccc3)CC2)c1 ZINC000049781201 562682739 /nfs/dbraw/zinc/68/27/39/562682739.db2.gz PFBHEVRCNMMOCL-UHFFFAOYSA-N -1 0 550.721 5.920 1 0 KKAFRM C[C@@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)c2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000049781418 562683098 /nfs/dbraw/zinc/68/30/98/562683098.db2.gz RJHMXYMCSIQMML-SLZMIMFISA-N -1 0 549.863 5.815 1 0 KKAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccc(OCc3ccccc3)cc1CC2 ZINC000049783635 562683160 /nfs/dbraw/zinc/68/31/60/562683160.db2.gz ROUBQZIVZZVTBE-ZGGSADGGSA-N -1 0 630.722 5.370 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049783738 562683204 /nfs/dbraw/zinc/68/32/04/562683204.db2.gz WSTIXFZMRLYBCK-JLHYYAGUSA-N -1 0 554.521 5.275 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3cccc5ccccc53)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049783920 562683306 /nfs/dbraw/zinc/68/33/06/562683306.db2.gz CDBZRGWQXZFISO-ACHQHTMYSA-N -1 0 580.665 6.430 1 0 KKAFRM COc1ccc(-c2nc(CSc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000049792836 562684569 /nfs/dbraw/zinc/68/45/69/562684569.db2.gz MFHVRCZFXZJHFV-UHFFFAOYSA-N -1 0 507.633 6.558 1 0 KKAFRM O=C([N-]S(=O)(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)c1ccccc1 ZINC000049802829 562685939 /nfs/dbraw/zinc/68/59/39/562685939.db2.gz IANPCLXDOBSQNH-UHFFFAOYSA-N -1 0 539.657 5.008 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(=O)N(C)C(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049804003 562686289 /nfs/dbraw/zinc/68/62/89/562686289.db2.gz JIUOMOGUVRWPNZ-UHFFFAOYSA-N -1 0 598.574 6.738 1 0 KKAFRM COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc3ccccc3c1)[C@@H](O)[C@H](CC(=O)[O-])N2C(=O)c1ccc2ccccc2c1 ZINC000049832903 562687277 /nfs/dbraw/zinc/68/72/77/562687277.db2.gz XOSXYBCDOASWII-SYRLMZQMSA-N -1 0 634.685 5.328 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049832921 562687302 /nfs/dbraw/zinc/68/73/02/562687302.db2.gz VLXJCZYNQNYWMD-UHFFFAOYSA-N -1 0 727.304 7.309 1 0 KKAFRM COc1ccccc1SC[C@H](C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049833037 562687423 /nfs/dbraw/zinc/68/74/23/562687423.db2.gz YDDMVPLLJTZTQL-LAABSITASA-N -1 0 728.808 5.863 1 0 in-vitro KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(C(=O)c1ccc3c(c1)nc(-c1ccoc1)n3C1CCCC1)n2C1CCCCC1 ZINC000049852114 562688771 /nfs/dbraw/zinc/68/87/71/562688771.db2.gz TXPJNKHKWZCOOP-DHUJRADRSA-N -1 0 724.818 8.110 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1 ZINC000049850902 562688808 /nfs/dbraw/zinc/68/88/08/562688808.db2.gz MAAGVASBIGMIOW-UHFFFAOYSA-N -1 0 605.634 8.522 1 0 KKAFRM CC(C)c1onc(COc2c(F)cccc2F)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000049881460 562690810 /nfs/dbraw/zinc/69/08/10/562690810.db2.gz CZCGWZPRRHCUID-MDZDMXLPSA-N -1 0 539.962 7.756 1 0 KKAFRM CC(=O)O[C@H]1[C@H](OC(=O)C[C@@](C)(O)CC(=O)[O-])C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](OC(C)=O)C3 ZINC000049889378 562692050 /nfs/dbraw/zinc/69/20/50/562692050.db2.gz NWNZSOBRAQBTIG-YXLXRQEESA-N -1 0 734.924 5.231 1 0 KKAFRM CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049898278 562692378 /nfs/dbraw/zinc/69/23/78/562692378.db2.gz VRFWJSCLROXBBW-XLUVLVBOSA-N -1 0 659.905 5.202 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2cccnc2)cc1 ZINC000049898446 562692526 /nfs/dbraw/zinc/69/25/26/562692526.db2.gz XOJHIEYLOOLAQH-UHFFFAOYSA-N -1 0 680.226 7.309 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@H]3C(=O)NC(C)C)nc2-c2ccc(C)cc2F)c1 ZINC000049898785 562692857 /nfs/dbraw/zinc/69/28/57/562692857.db2.gz LSCIMDSUMCZFEP-UMSFTDKQSA-N -1 0 663.750 6.093 1 0 KKAFRM CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@]1(C)CO ZINC000049899612 562693301 /nfs/dbraw/zinc/69/33/01/562693301.db2.gz ZNHPQEDTLCHPAZ-JDEACCKASA-N -1 0 646.862 5.240 1 0 KKAFRM CCCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C[C@@](C)(Oc5ccccc5)C(=O)[O-])cc4)nc(N)n3)CC2)cc1 ZINC000056836653 562697822 /nfs/dbraw/zinc/69/78/22/562697822.db2.gz DKQQDZJONQWLFF-UUWRZZSWSA-N -1 0 595.700 5.231 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@H]1C3=O)[C@H](O)[C@]2(C/C=C(/C)C(=O)[O-])OC4(C)C ZINC000058534340 562698670 /nfs/dbraw/zinc/69/86/70/562698670.db2.gz CXFIQFGADOTDPF-SABGBGAWSA-N -1 0 632.794 7.111 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1cnc(N(C)Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000058538161 562698786 /nfs/dbraw/zinc/69/87/86/562698786.db2.gz BRVZXNBJNPVZTB-UHFFFAOYSA-N -1 0 560.865 7.734 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(NCc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000058538443 562698886 /nfs/dbraw/zinc/69/88/86/562698886.db2.gz PVPPIGZRTSESKT-UHFFFAOYSA-N -1 0 580.390 8.075 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1cnc(N(C)Cc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000058540857 562698938 /nfs/dbraw/zinc/69/89/38/562698938.db2.gz IIBBKFGPSAHSTP-UHFFFAOYSA-N -1 0 560.865 7.734 1 0 KKAFRM C[C@H](Oc1ccc(C(=O)[O-])cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058541786 562698969 /nfs/dbraw/zinc/69/89/69/562698969.db2.gz KQLXPIYHRHYSJY-AWEZNQCLSA-N -1 0 593.385 8.357 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000058592237 562700567 /nfs/dbraw/zinc/70/05/67/562700567.db2.gz FZDTUJIPXUKHEY-QHCPKHFHSA-N -1 0 570.860 5.752 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@H](CC(=O)[O-])C4CC4)c3)cc2C2=CCCC2(C)C)c1 ZINC000059255413 562701886 /nfs/dbraw/zinc/70/18/86/562701886.db2.gz CHEANNSDVJOIBS-HHHXNRCGSA-N -1 0 514.637 8.252 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C(F)(F)F)c3)cc2C(C)(C)C)c1 ZINC000059255416 562701889 /nfs/dbraw/zinc/70/18/89/562701889.db2.gz DUPFURSKJXLSBY-HSZRJFAPSA-N -1 0 504.520 7.498 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccc3cccnc32)=NO1 ZINC000059630233 562702095 /nfs/dbraw/zinc/70/20/95/562702095.db2.gz DAXPHXLZKQMKFD-JHOBJCJYSA-N -1 0 591.451 5.489 1 0 KKAFRM Cc1ccc(C2=NO[C@](C)(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])C2)cc1 ZINC000059630084 562702107 /nfs/dbraw/zinc/70/21/07/562702107.db2.gz IPHBDGKKCSWXIW-DWACAAAGSA-N -1 0 554.430 5.249 1 0 KKAFRM CN1C[C@@H](COc2ccc(C(=O)Nc3cc(C(C)(C)C(=O)[O-])ccc3Cl)c(Cl)c2)Oc2ccccc21 ZINC000059649287 562702126 /nfs/dbraw/zinc/70/21/26/562702126.db2.gz BXYBFNHPEXVZMH-SFHVURJKSA-N -1 0 529.420 5.884 1 0 KKAFRM Cc1cc(OC[C@@H]2CN(C)c3ccccc3O2)cc(C)c1C(=O)Nc1cc(C(C)(C)C(=O)[O-])ccc1Cl ZINC000059649524 562702133 /nfs/dbraw/zinc/70/21/33/562702133.db2.gz IRJQIDIZSMYCII-NRFANRHFSA-N -1 0 523.029 5.848 1 0 KKAFRM COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H](C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC000059716210 562702170 /nfs/dbraw/zinc/70/21/70/562702170.db2.gz OYANQOAHFBUOSN-ZDUSSCGKSA-N -1 0 535.405 5.265 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000059790740 562702311 /nfs/dbraw/zinc/70/23/11/562702311.db2.gz BBMULGJBVDDDNI-WAACEZDISA-N -1 0 590.798 5.842 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)cc1 ZINC000060328778 562702799 /nfs/dbraw/zinc/70/27/99/562702799.db2.gz SLVCGBAXQWWREW-NRFANRHFSA-N -1 0 551.470 6.984 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 ZINC000060328777 562702819 /nfs/dbraw/zinc/70/28/19/562702819.db2.gz VCKLKUUEQQEJHF-OAQYLSRUSA-N -1 0 535.015 6.469 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000060328560 562702826 /nfs/dbraw/zinc/70/28/26/562702826.db2.gz LSAXTXBFQFAVON-FQEVSTJZSA-N -1 0 619.467 8.002 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)C[C@@H](C)CC(=O)[O-])c(C)c(C)c2O1 ZINC000064448424 562705514 /nfs/dbraw/zinc/70/55/14/562705514.db2.gz NWYNXCSQUNIRAP-JDCAODRCSA-N -1 0 538.769 8.993 1 0 KKAFRM CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1cc(Cl)c([O-])c(Cl)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064448779 562705528 /nfs/dbraw/zinc/70/55/28/562705528.db2.gz QGNTYSFKRYRJPG-IBGZPJMESA-N -1 0 508.486 6.103 1 0 KKAFRM O=S(=O)([N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccc(Cl)c(Cl)c1 ZINC000064527364 562706901 /nfs/dbraw/zinc/70/69/01/562706901.db2.gz MZKFOUXKXOJHJH-UHFFFAOYSA-N -1 0 568.530 5.797 1 0 KKAFRM CCOc1cc(C(=O)[O-])nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc21 ZINC000066066573 562709458 /nfs/dbraw/zinc/70/94/58/562709458.db2.gz FRLWGAYRNWCJGV-UHFFFAOYSA-N -1 0 577.464 8.663 1 0 KKAFRM O=C(Nc1ccc2ccccc2n1)c1ccc2[nH]c(-c3c(Cl)cc(CCC[P@](=O)([O-])O)cc3Cl)nc2c1 ZINC000066066676 562709471 /nfs/dbraw/zinc/70/94/71/562709471.db2.gz BMXYNORZKDETBL-UHFFFAOYSA-N -1 0 555.358 6.448 1 0 KKAFRM CC(C)Oc1cc(C(=O)[O-])nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc21 ZINC000066066574 562709482 /nfs/dbraw/zinc/70/94/82/562709482.db2.gz PNXDDOFPVCLYFZ-UHFFFAOYSA-N -1 0 591.491 9.051 1 0 KKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1)c1cccc2ccccc21 ZINC000066074939 562709889 /nfs/dbraw/zinc/70/98/89/562709889.db2.gz AJJXVXYQWTUPTR-AREMUKBSSA-N -1 0 541.032 7.197 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](C2CCCCC2)n2c3ccc(F)cc3nc2-c2ccc(Cl)cc2)c(F)c1 ZINC000066076720 562710168 /nfs/dbraw/zinc/71/01/68/562710168.db2.gz ZEZBGNHZVYOPGB-VWLOTQADSA-N -1 0 523.967 7.093 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)nc1 ZINC000066076713 562710200 /nfs/dbraw/zinc/71/02/00/562710200.db2.gz SRTGJTIYMZNURG-DEOSSOPVSA-N -1 0 524.955 6.488 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)nccc3C(=O)[O-])cc1 ZINC000066077688 562710340 /nfs/dbraw/zinc/71/03/40/562710340.db2.gz SVXAZCILJKAYBJ-UHFFFAOYSA-N -1 0 533.411 8.264 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)[O-])cnc3c2)cc1 ZINC000066078425 562710418 /nfs/dbraw/zinc/71/04/18/562710418.db2.gz GGUUMPOAWHDGTB-UHFFFAOYSA-N -1 0 533.411 8.264 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)c1 ZINC000066079143 562710601 /nfs/dbraw/zinc/71/06/01/562710601.db2.gz CBDFUANPRUDRNM-RUZDIDTESA-N -1 0 523.967 7.093 1 0 KKAFRM CCc1cc(C(=O)[O-])nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066080131 562710739 /nfs/dbraw/zinc/71/07/39/562710739.db2.gz HDFNXKFAFUWHSU-UHFFFAOYSA-N -1 0 561.465 8.827 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@H](O)c1ccc(F)cc1Cl ZINC000066098708 562710971 /nfs/dbraw/zinc/71/09/71/562710971.db2.gz GMBRPFYYUQEJQB-AREMUKBSSA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@H](O)c1ccccc1F ZINC000066099155 562711039 /nfs/dbraw/zinc/71/10/39/562711039.db2.gz IZXRWRGCXWYKGS-AREMUKBSSA-N -1 0 533.040 5.043 1 0 KKAFRM Cc1cccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc43)nn2)c1 ZINC000066099411 562711089 /nfs/dbraw/zinc/71/10/89/562711089.db2.gz IWDSSIJCEVPZDC-UHFFFAOYSA-N -1 0 546.583 6.643 1 0 KKAFRM COc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc43)nn2)cc1 ZINC000066100331 562711234 /nfs/dbraw/zinc/71/12/34/562711234.db2.gz LVGFRMIIXODOEQ-UHFFFAOYSA-N -1 0 562.582 6.343 1 0 KKAFRM CCCC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(OC(C)=O)c(CC=C(C)C)c([O-])c12 ZINC000066124154 562712662 /nfs/dbraw/zinc/71/26/62/562712662.db2.gz NGWNUUFWOJPLDP-KKSFZXQISA-N -1 0 500.588 5.956 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000066148773 562713666 /nfs/dbraw/zinc/71/36/66/562713666.db2.gz KGAXHAMVKCLVPO-WNJJXGMVSA-N -1 0 549.689 6.198 3 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccccc3)cs2)n(-c2ccc(CC(=O)[O-])cc2)n1 ZINC000066156898 562713834 /nfs/dbraw/zinc/71/38/34/562713834.db2.gz QUOWKTGPIJLRIN-UHFFFAOYSA-N -1 0 533.654 5.657 1 0 in-vitro KKAFRM C[C@H](c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)n1)c1ccc(Cl)cc1 ZINC000066251365 562714473 /nfs/dbraw/zinc/71/44/73/562714473.db2.gz IUHASURCYMLNOI-SFHVURJKSA-N -1 0 571.983 6.507 1 0 KKAFRM CC(C)[C@H](NC(=O)c1ncc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1)C(=O)[O-] ZINC000068267515 562716302 /nfs/dbraw/zinc/71/63/02/562716302.db2.gz FSVURWKOYFCTTR-SFHVURJKSA-N -1 0 506.506 5.312 1 0 KKAFRM O=C([O-])/C=C/c1ccc(OC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ccccc4OCC3)CCCC2)cc1 ZINC000071282370 562716822 /nfs/dbraw/zinc/71/68/22/562716822.db2.gz SRLFROMPOPNLEX-XMHGGMMESA-N -1 0 618.730 7.494 1 0 KKAFRM Cc1c(C)c(S(=O)(=O)N(CC2CC2)c2cccc(-c3ccc(Cl)cc3)c2C)ccc1O[C@H](C)C(=O)[O-] ZINC000071296542 562717531 /nfs/dbraw/zinc/71/75/31/562717531.db2.gz VDIFWBVDRSCNII-HXUWFJFHSA-N -1 0 528.070 6.389 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071315930 562717769 /nfs/dbraw/zinc/71/77/69/562717769.db2.gz CFDMYSOWNDTWLE-IBGZPJMESA-N -1 0 600.055 7.370 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(Cl)c1Cl ZINC000071317334 562718194 /nfs/dbraw/zinc/71/81/94/562718194.db2.gz PGDOKBIYYZCQED-KRWDZBQOSA-N -1 0 570.922 7.470 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(OC)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071317751 562718320 /nfs/dbraw/zinc/71/83/20/562718320.db2.gz KSGLJTULIAIOEU-JOCHJYFZSA-N -1 0 525.667 6.135 1 0 KKAFRM COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCCCCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071319228 562718718 /nfs/dbraw/zinc/71/87/18/562718718.db2.gz NWZRWMIMJZOXKD-RAMXYVRUSA-N -1 0 532.762 7.182 1 0 KKAFRM CN1CCc2nc(C(=O)Nc3cc(OCC(C)(C)C(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000071329599 562718932 /nfs/dbraw/zinc/71/89/32/562718932.db2.gz KUQBXGLLGAHXPB-UHFFFAOYSA-N -1 0 582.082 5.260 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccc(N)nc1 ZINC000071331141 562719259 /nfs/dbraw/zinc/71/92/59/562719259.db2.gz XQJQMQHQXOLUKG-WOJGMQOQSA-N -1 0 579.701 6.115 1 0 KKAFRM Cc1nc(C(=O)[C@@H](Oc2ccc(SCCCCCc3ccccc3)cc2)C(C)C)sc1CCCC(=O)[O-] ZINC000071332327 562719372 /nfs/dbraw/zinc/71/93/72/562719372.db2.gz JIUDOUCGALEPNX-LJAQVGFWSA-N -1 0 539.763 7.650 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000071332771 562719472 /nfs/dbraw/zinc/71/94/72/562719472.db2.gz ACMQMPVQQAHNAK-RGVLZGJSSA-N -1 0 598.143 7.791 1 0 KKAFRM Cc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cn1 ZINC000071334301 562719586 /nfs/dbraw/zinc/71/95/86/562719586.db2.gz KGQCVBHLMULYHC-CPNJWEJPSA-N -1 0 578.713 6.841 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc4sc(C(=O)[O-])cc4c3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071341209 562719902 /nfs/dbraw/zinc/71/99/02/562719902.db2.gz KURLFVGLMMUDNB-UHFFFAOYSA-N -1 0 594.737 7.348 1 0 KKAFRM O=C([O-])CN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071416544 562720192 /nfs/dbraw/zinc/72/01/92/562720192.db2.gz YSGIOKQJNISPCR-ILBGXUMGSA-N -1 0 594.263 5.842 1 0 KKAFRM O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)C(OCc2cc3ccc(Cl)cc3s2)=C1Cc1cc2ccc(Cl)cc2s1 ZINC000072105313 562720772 /nfs/dbraw/zinc/72/07/72/562720772.db2.gz MVWASEJFKBUTLD-RZTXVSJASA-N -1 0 551.469 5.377 1 0 KKAFRM CCCC/C(=C\c1cc(OCCc2ccc(C(F)(F)F)cc2)ccc1OCCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000072113144 562722231 /nfs/dbraw/zinc/72/22/31/562722231.db2.gz LKYYLGBNRZLTJP-FCDQGJHFSA-N -1 0 580.565 8.625 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(OCc4ccccc4)cc3)C(=O)[O-])ccc2o1 ZINC000072113369 562722326 /nfs/dbraw/zinc/72/23/26/562722326.db2.gz KLONYSMIKNAABZ-XIFFEERXSA-N -1 0 588.660 7.620 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(F)cc3)C(=O)[O-])ccc2o1 ZINC000072114144 562722617 /nfs/dbraw/zinc/72/26/17/562722617.db2.gz IHTYPCMTXSORIA-SANMLTNESA-N -1 0 500.526 6.180 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1cccc2cccnc21 ZINC000072116971 562723286 /nfs/dbraw/zinc/72/32/86/562723286.db2.gz WHDNFPSXKYIUAR-UHFFFAOYSA-N -1 0 587.698 5.540 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1 ZINC000072123750 562724906 /nfs/dbraw/zinc/72/49/06/562724906.db2.gz DDKQHOCXJJRIOW-QFIPXVFZSA-N -1 0 648.081 8.174 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)[nH]cc3C(=O)[O-])cc1 ZINC000072126044 562725263 /nfs/dbraw/zinc/72/52/63/562725263.db2.gz MUZVVRUJHSGOMN-UHFFFAOYSA-N -1 0 521.400 8.197 1 0 in-vitro KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)c(N3CCN(c4nc(N5CCCCC5)nc(N5CCCCC5)n4)CC3)c(F)cc2c1=O ZINC000072131666 562726727 /nfs/dbraw/zinc/72/67/27/562726727.db2.gz OCGZWHVINAMTOO-UHFFFAOYSA-N -1 0 712.724 5.537 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(CC(=O)[O-])nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000072171879 562730528 /nfs/dbraw/zinc/73/05/28/562730528.db2.gz CSFVAFSXOJWKAO-CATTVGIASA-N -1 0 626.882 8.527 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)Cn6cc(COC(=O)Cc7ccccc7)nn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000072174848 562731191 /nfs/dbraw/zinc/73/11/91/562731191.db2.gz DDWCQAGJTLRKKF-WSFOOKTCSA-N -1 0 713.960 8.362 1 0 KKAFRM CCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1OC(=O)CC ZINC000072174958 562731228 /nfs/dbraw/zinc/73/12/28/562731228.db2.gz LTOPLVROGYBJTB-CHVYLGJISA-N -1 0 584.838 8.126 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])CC[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]2[C@H]1C ZINC000072175637 562731370 /nfs/dbraw/zinc/73/13/70/562731370.db2.gz YQVBDWUOQIMLKM-WNZNUPCJSA-N -1 0 619.887 7.523 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000072181207 562732640 /nfs/dbraw/zinc/73/26/40/562732640.db2.gz LOKQCBKLWIHJHQ-JRWCXLMHSA-N -1 0 538.402 6.690 1 0 KKAFRM CCOc1ccc(Oc2ccc(S(=O)(=O)[N-]C(=O)c3cccc(-c4ccc(Cl)c(Cl)c4)c3)cc2)cc1 ZINC000072181449 562732681 /nfs/dbraw/zinc/73/26/81/562732681.db2.gz NTOKZWCGGSZEAX-UHFFFAOYSA-N -1 0 542.440 6.970 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)COc1ccc(Cl)cc1 ZINC000072181752 562732788 /nfs/dbraw/zinc/73/27/88/562732788.db2.gz SAHCXQRYOHADIJ-SANMLTNESA-N -1 0 507.945 5.402 1 0 KKAFRM COc1ncc(-c2ccc3c(c2)ncc(C(N)=O)c3Nc2cc(C(=O)[O-])cc([C@@H](C)C(C)C)c2)c(OC)n1 ZINC000072319549 562733255 /nfs/dbraw/zinc/73/32/55/562733255.db2.gz XKKNUBKQASRZCH-HNNXBMFYSA-N -1 0 515.570 5.009 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1ccccc1 ZINC000073159982 562734052 /nfs/dbraw/zinc/73/40/52/562734052.db2.gz CUWBXEPNHLJYKS-UHFFFAOYSA-N -1 0 501.501 6.167 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cccc(C)n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073166125 562734475 /nfs/dbraw/zinc/73/44/75/562734475.db2.gz OVQIFNUSFSKOJH-UHFFFAOYSA-N -1 0 623.819 8.587 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3cncc(F)c3)cc2)nc1 ZINC000073169135 562734814 /nfs/dbraw/zinc/73/48/14/562734814.db2.gz GKVLLUZKLDCBMI-UHFFFAOYSA-N -1 0 611.783 8.717 1 0 KKAFRM Cn1c(S[C@@H](C(=O)[O-])c2ccccc2)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073169645 562734878 /nfs/dbraw/zinc/73/48/78/562734878.db2.gz HCVRAOLSBVFSFU-HXUWFJFHSA-N -1 0 513.406 5.959 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccccc3F)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073197353 562735324 /nfs/dbraw/zinc/73/53/24/562735324.db2.gz UEBSEYNILIIMEL-UHFFFAOYSA-N -1 0 549.646 6.822 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000073199412 562736014 /nfs/dbraw/zinc/73/60/14/562736014.db2.gz DAUMTLVRTBXRDU-HJDACTBTSA-N -1 0 521.723 7.814 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)c[n+]5[O-])cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137903 562739020 /nfs/dbraw/zinc/73/90/20/562739020.db2.gz KJYBOTVPAKEXAF-UHFFFAOYSA-N -1 0 653.845 8.215 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137926 562739046 /nfs/dbraw/zinc/73/90/46/562739046.db2.gz CFYSRLSRJHAWDX-UHFFFAOYSA-N -1 0 659.852 9.431 1 0 KKAFRM Cc1ccc2c(c1)onc2-n1c(=O)n(Cc2ccc(Cl)c(O[C@H](C)C(=O)[O-])c2)c2cc(C(F)(F)F)ccc21 ZINC000082152684 562740103 /nfs/dbraw/zinc/74/01/03/562740103.db2.gz KRRJLVWNHARYEP-CQSZACIVSA-N -1 0 545.901 5.814 1 0 KKAFRM COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)[O-])c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc(OC)c1OC ZINC000082170607 562741483 /nfs/dbraw/zinc/74/14/83/562741483.db2.gz ZUZCMEBCENUTKW-DHFJEHPKSA-N -1 0 638.749 5.282 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(c2cccc(C(=O)[O-])c2)c2ccc3ccccc3c2)c(Cl)c1 ZINC000084596229 562743615 /nfs/dbraw/zinc/74/36/15/562743615.db2.gz WLBNPMXRATYYDQ-UHFFFAOYSA-N -1 0 685.991 10.834 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4cccnc4OCC3)CCCC2)cc1 ZINC000084616592 562744607 /nfs/dbraw/zinc/74/46/07/562744607.db2.gz QTQAYEYZPGGWQU-SFQUDFHCSA-N -1 0 618.734 6.923 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)C(=O)OC(C)(C)C)cc1 ZINC000084632038 562745438 /nfs/dbraw/zinc/74/54/38/562745438.db2.gz PZIAIBCFVUIGPT-UHFFFAOYSA-N -1 0 636.767 6.606 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000084653416 562746851 /nfs/dbraw/zinc/74/68/51/562746851.db2.gz IZRQEKFHYMGJNO-UHFFFAOYSA-N -1 0 502.655 6.494 1 0 KKAFRM CC(=O)c1cccc(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084654890 562747371 /nfs/dbraw/zinc/74/73/71/562747371.db2.gz ACYVSKZNPUEBLQ-UHFFFAOYSA-N 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KKAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(OCCC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084712913 562750851 /nfs/dbraw/zinc/75/08/51/562750851.db2.gz XQTGCLUZFZYMDA-PDDLMNHVSA-N -1 0 583.081 5.571 1 0 KKAFRM Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)[O-])c2)c(C)c(C)c1OCCCS(C)(=O)=O ZINC000084759479 562752952 /nfs/dbraw/zinc/75/29/52/562752952.db2.gz FZPYJAIVCJYEMV-RUZDIDTESA-N -1 0 552.689 5.930 1 0 KKAFRM CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)[O-])c(F)c3)c2)c(C)c1 ZINC000084759543 562752979 /nfs/dbraw/zinc/75/29/79/562752979.db2.gz HUBPXUHEJRXYHI-UHFFFAOYSA-N -1 0 514.615 5.519 1 0 KKAFRM CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc43)c(c2)CC=CCS(=O)(=O)[N-]C1=O ZINC000095537512 562754398 /nfs/dbraw/zinc/75/43/98/562754398.db2.gz JGPLNBYTMVNRMM-SBKCLIMMSA-N -1 0 828.001 7.483 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@@H]2NC(=O)c2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)cc1 ZINC000095541503 562756133 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O=C([O-])c1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000095554486 562761277 /nfs/dbraw/zinc/76/12/77/562761277.db2.gz YGCDRALNJUASGG-GPOMZPHUSA-N -1 0 626.709 6.353 1 0 KKAFRM COc1ccc(CN(Cc2nc(-c3cccc(Br)c3)oc2C)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)cc1 ZINC000095557894 562762254 /nfs/dbraw/zinc/76/22/54/562762254.db2.gz VDJWZNTVYYWJFZ-UHFFFAOYSA-N -1 0 579.491 6.866 1 0 KKAFRM CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)N(C)CC(=O)[O-])C4(C)C ZINC000095561915 562763503 /nfs/dbraw/zinc/76/35/03/562763503.db2.gz NHQSKEAZCJEEMY-KAEAIDJZSA-N -1 0 672.904 6.188 1 0 KKAFRM CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)N1CC[C@H](C(=O)[O-])C1)C4(C)C)C(C)(C)O ZINC000095564319 562764270 /nfs/dbraw/zinc/76/42/70/562764270.db2.gz XKEVSOTWMLPHPF-FPSLQYEKSA-N -1 0 659.905 5.888 1 0 KKAFRM 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AYWGEISQTISXEW-INIZCTEOSA-N -1 0 592.401 7.236 1 0 KKAFRM CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)cs1 ZINC000095572678 562769468 /nfs/dbraw/zinc/76/94/68/562769468.db2.gz GWGJZZOHFQSTTK-XNTDXEJSSA-N -1 0 597.741 6.390 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccccc2OC(F)(F)F)cc1 ZINC000095572557 562769469 /nfs/dbraw/zinc/76/94/69/562769469.db2.gz BUMNKOQDAISGNA-UHFFFAOYSA-N -1 0 578.374 6.675 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1csc(N)n1 ZINC000095573235 562769620 /nfs/dbraw/zinc/76/96/20/562769620.db2.gz QXFNGHALCJBCKX-XNTDXEJSSA-N -1 0 597.741 6.321 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1cocn1 ZINC000095574035 562769835 /nfs/dbraw/zinc/76/98/35/562769835.db2.gz BGZIOOYGBSIANL-XNTDXEJSSA-N -1 0 566.658 6.270 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccncc1 ZINC000095574477 562769946 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Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)n1 ZINC000095577476 562770971 /nfs/dbraw/zinc/77/09/71/562770971.db2.gz DSEZJBRMCLMJEE-UHFFFAOYSA-N -1 0 591.712 6.543 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3cscn3)c4C3CCCC3)ccc21 ZINC000095579196 562771473 /nfs/dbraw/zinc/77/14/73/562771473.db2.gz ABAHSYMQSWQIEB-UHFFFAOYSA-N -1 0 583.714 6.296 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1cscn1 ZINC000095580421 562771835 /nfs/dbraw/zinc/77/18/35/562771835.db2.gz RRXBQFPALWUYHU-XNTDXEJSSA-N -1 0 556.688 6.204 1 0 KKAFRM Nc1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)ccn1 ZINC000095581023 562772067 /nfs/dbraw/zinc/77/20/67/562772067.db2.gz ICXJPRZVEDZNDD-UHFFFAOYSA-N -1 0 561.926 5.467 1 0 KKAFRM CN(C)c1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Cl ZINC000095581473 562772201 /nfs/dbraw/zinc/77/22/01/562772201.db2.gz GKMUXLYFRVLHBE-UHFFFAOYSA-N -1 0 528.418 5.638 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555.443 5.889 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3ccccc3C(=O)[O-])CC2)nc1 ZINC000095591948 562775822 /nfs/dbraw/zinc/77/58/22/562775822.db2.gz LIUXQUKHUBSWJF-UHFFFAOYSA-N -1 0 561.638 7.049 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(Cl)c5)n(-c5cc(Cl)cc(Cl)c5)c4=S)CC3)c(F)cc2c1=O ZINC000095594278 562776433 /nfs/dbraw/zinc/77/64/33/562776433.db2.gz YOCAPARBNYLYDK-UHFFFAOYSA-N -1 0 700.023 7.297 1 0 KKAFRM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600769 562779193 /nfs/dbraw/zinc/77/91/93/562779193.db2.gz MRJBAMIQPRJKPV-QXXCKKGJSA-N -1 0 740.316 5.396 1 0 KKAFRM O=C([N-]S(=O)(=O)Cc1ccccc1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F ZINC000095601099 562779433 /nfs/dbraw/zinc/77/94/33/562779433.db2.gz VFKAESXZSUHBSD-UHFFFAOYSA-N -1 0 568.001 5.236 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCN6CCOCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095602233 562779963 /nfs/dbraw/zinc/77/99/63/562779963.db2.gz MVOBDJCOZVJWMD-RRLKWQEHSA-N -1 0 597.881 7.507 1 0 KKAFRM O=S(=O)([O-])c1ccc(NC(=S)N(CCc2ccccc2)C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 ZINC000095603236 562780456 /nfs/dbraw/zinc/78/04/56/562780456.db2.gz OJOCUCQSVCQTNW-XMMPIXPASA-N -1 0 717.505 6.869 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CN6CCOCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095605011 562781332 /nfs/dbraw/zinc/78/13/32/562781332.db2.gz NCVDRBVPFMKWFX-IGXJBCQUSA-N -1 0 583.854 7.117 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccccc1F ZINC000095606049 562781852 /nfs/dbraw/zinc/78/18/52/562781852.db2.gz UBDCVQLRYOXDFN-IMAOXBOFSA-N -1 0 752.145 6.972 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000095606031 562781871 /nfs/dbraw/zinc/78/18/71/562781871.db2.gz GULMICYKESNPJR-SNXGKTBFSA-N -1 0 752.145 6.972 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3cccc(-c4ccccc4)c3)c(OCc3cccc(-c4ccccc4)c3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000095609813 562784010 /nfs/dbraw/zinc/78/40/10/562784010.db2.gz DBPBFLRIFPQFBT-SISPBFPDSA-N -1 0 772.322 12.859 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000095612125 562785265 /nfs/dbraw/zinc/78/52/65/562785265.db2.gz PFXRGGRXDLOBFX-IMAOXBOFSA-N -1 0 752.145 6.972 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSc1ccccc1OC(F)(F)F)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000095610765 562784583 /nfs/dbraw/zinc/78/45/83/562784583.db2.gz NRVATKFKFLOMDK-KVVUDEAMSA-N -1 0 782.778 6.753 1 0 KKAFRM 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)NCCc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1)C(C)C ZINC000095612390 562785445 /nfs/dbraw/zinc/78/54/45/562785445.db2.gz GSVABYIDKWHKNL-JHXRBWKZSA-N -1 0 764.867 5.482 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000095615033 562787021 /nfs/dbraw/zinc/78/70/21/562787021.db2.gz REFGWQMELMZPRN-UHFFFAOYSA-N -1 0 796.194 8.616 1 0 KKAFRM COc1c(Cl)c(Cl)c(Oc2c([O-])c(Oc3c(Cl)c(Cl)c(OC)c(Cl)c3Cl)c(Cl)c(OC)c2Cl)c(Cl)c1Cl ZINC000095615629 562787423 /nfs/dbraw/zinc/78/74/23/562787423.db2.gz DBFCBVBEEPJOAX-UHFFFAOYSA-N -1 0 712.835 11.537 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2cc(Cl)cc(Cl)c2)cc1 ZINC000095615885 562787599 /nfs/dbraw/zinc/78/75/99/562787599.db2.gz WDINBDDRSDCVCM-UHFFFAOYSA-N -1 0 780.195 9.771 1 0 KKAFRM COc1c(Cl)c(Cl)c(Oc2c([O-])c(Cl)c(OC)c(Cl)c2Oc2c(Cl)c(Cl)c(OC)c(Cl)c2Cl)c(Cl)c1Cl ZINC000095616233 562787840 /nfs/dbraw/zinc/78/78/40/562787840.db2.gz CPORQNGPHLLMIO-UHFFFAOYSA-N -1 0 712.835 11.537 1 0 KKAFRM O=C(Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c1=O)c1ccc(F)cc1 ZINC000096169959 562790933 /nfs/dbraw/zinc/79/09/33/562790933.db2.gz JAWVOJKXWQPGBN-UHFFFAOYSA-N -1 0 594.624 5.183 1 0 KKAFRM Cc1cc([C@@H](Nc2ccc(C(=O)NCCC(=O)[O-])cn2)C2CCCC2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000096170575 562791136 /nfs/dbraw/zinc/79/11/36/562791136.db2.gz CCMSZNRJWBLATB-DEOSSOPVSA-N -1 0 529.563 5.451 1 0 KKAFRM O=C([N-]C1(c2ccc(-c3nnc4n3-c3ccc(Cl)nc3Nc3ccccc3-4)cc2)CCC1)C(F)(F)F ZINC000096174161 562791744 /nfs/dbraw/zinc/79/17/44/562791744.db2.gz NCGNDCMPHDPBMK-UHFFFAOYSA-N -1 0 510.907 5.764 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CCCO3)CC2)c2ncnn21 ZINC000096178267 562792577 /nfs/dbraw/zinc/79/25/77/562792577.db2.gz KLSYBFRVMYPCCY-UHFFFAOYSA-N -1 0 566.662 5.109 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CCCC2)cc1 ZINC000096269713 562793037 /nfs/dbraw/zinc/79/30/37/562793037.db2.gz GWULXZDUQGZXSI-XMMPIXPASA-N -1 0 501.505 5.406 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccc(Cl)c2)=NO1 ZINC000096271106 562793712 /nfs/dbraw/zinc/79/37/12/562793712.db2.gz WCSXEZCEQCEWMN-IDISGSTGSA-N -1 0 574.848 5.594 1 0 KKAFRM C/C(=C\COc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)[O-])O2)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272103 562793975 /nfs/dbraw/zinc/79/39/75/562793975.db2.gz DMIFJFOCRQPHBQ-LCCXSQPHSA-N -1 0 528.818 9.544 1 0 KKAFRM Cc1nc(C(=O)Nc2ccc3[nH]c(-c4ccc(C5CCC(CC(=O)[O-])CC5)cc4)nc3c2)c(C(F)(F)F)o1 ZINC000096273590 562794601 /nfs/dbraw/zinc/79/46/01/562794601.db2.gz JJEDTAIQWCEWQN-UHFFFAOYSA-N -1 0 526.515 6.546 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2[nH]c(-c3ccc(C4CCC(CC(=O)[O-])CC4)cc3)nc2c1 ZINC000096273591 562794613 /nfs/dbraw/zinc/79/46/13/562794613.db2.gz HWSUWZCLHOXEFP-UHFFFAOYSA-N -1 0 534.616 7.194 1 0 KKAFRM O=C([O-])CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5noc(-c6ccccc6)n5)ccc4[nH]3)cc2)CC1 ZINC000096273604 562794623 /nfs/dbraw/zinc/79/46/23/562794623.db2.gz XFKCHLVLYAIZPD-UHFFFAOYSA-N -1 0 521.577 6.281 1 0 KKAFRM O=C([O-])CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5cn(-c6ccccc6)nc5C(F)(F)F)ccc4[nH]3)cc2)CC1 ZINC000096273605 562794632 /nfs/dbraw/zinc/79/46/32/562794632.db2.gz HVTKRWVZZRSTHI-UHFFFAOYSA-N -1 0 587.602 7.435 1 0 KKAFRM CC(C)COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283222 562794836 /nfs/dbraw/zinc/79/48/36/562794836.db2.gz UTMWZKKSMFNQCF-UHFFFAOYSA-N -1 0 569.662 5.640 1 0 KKAFRM O=C([O-])CCCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283787 562794969 /nfs/dbraw/zinc/79/49/69/562794969.db2.gz KMJLKDVCOPFOAS-XMMPIXPASA-N -1 0 592.877 6.544 1 0 KKAFRM COc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000096283773 562794980 /nfs/dbraw/zinc/79/49/80/562794980.db2.gz QNLIRFLPSBBJCO-XMMPIXPASA-N -1 0 529.980 5.400 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283821 562794985 /nfs/dbraw/zinc/79/49/85/562794985.db2.gz PCWORGSTILHPDB-HSZRJFAPSA-N -1 0 578.850 6.154 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(F)c(F)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283803 562794999 /nfs/dbraw/zinc/79/49/99/562794999.db2.gz YFVINFKRLLLEJX-HSZRJFAPSA-N -1 0 535.934 5.669 1 0 KKAFRM O=C([O-])/C=C/C(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000096283796 562795000 /nfs/dbraw/zinc/79/50/00/562795000.db2.gz YZCGJYOVAJDRRN-OTOIZHKDSA-N -1 0 576.834 5.930 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccccc2F)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284639 562795211 /nfs/dbraw/zinc/79/52/11/562795211.db2.gz AYCGKAXUIJKJCC-UHFFFAOYSA-N -1 0 720.688 7.397 1 0 KKAFRM O=C([O-])c1ccc(Br)cc1NC(=O)c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)sc1-c1ccccc1 ZINC000096285490 562795746 /nfs/dbraw/zinc/79/57/46/562795746.db2.gz CYAPCIMIPDLZFZ-QNGWXLTQSA-N -1 0 799.747 9.616 1 0 KKAFRM O=C([O-])c1ccc(Cl)cc1NC(=O)c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)sc1-c1ccccc1 ZINC000096285491 562795757 /nfs/dbraw/zinc/79/57/57/562795757.db2.gz MFXKNGGLSZZJIY-QNGWXLTQSA-N -1 0 755.296 9.507 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)sc1-c1ccccc1 ZINC000096285495 562795759 /nfs/dbraw/zinc/79/57/59/562795759.db2.gz VBGFASZXUVWNJQ-QNGWXLTQSA-N -1 0 720.851 8.854 1 0 KKAFRM CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]23C)[C@@H]1CO[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O ZINC000096307602 562796410 /nfs/dbraw/zinc/79/64/10/562796410.db2.gz JCSDHTBTDXUWOM-AEZWHUNNSA-N -1 0 746.935 5.351 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nc7ccccc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096902083 562797231 /nfs/dbraw/zinc/79/72/31/562797231.db2.gz HZUJFWQIJUGCDD-YCEBQTMSSA-N -1 0 687.969 9.257 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nc6ccccc6nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096903647 562797985 /nfs/dbraw/zinc/79/79/85/562797985.db2.gz VQLYVLXUHBGQGK-VDWOAMRASA-N -1 0 639.925 8.671 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096903959 562798076 /nfs/dbraw/zinc/79/80/76/562798076.db2.gz TZBLPCCOFGTPTL-GDCLZHJBSA-N -1 0 567.855 7.973 1 0 KKAFRM CCOC(=O)c1c(COc2cc3c(cc2OC)oc(COc2cc4c(cc2OC)oc(C)c4C(=O)[O-])c3C(=O)OCC)oc2cc(OC)c(O)cc21 ZINC000096906814 562798925 /nfs/dbraw/zinc/79/89/25/562798925.db2.gz KPIQCPWTGYQDJG-UHFFFAOYSA-N -1 0 718.664 7.175 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ccccc2F)cc1 ZINC000096909573 562799606 /nfs/dbraw/zinc/79/96/06/562799606.db2.gz DBDRFZLCBAYHGL-HHHXNRCGSA-N -1 0 525.620 6.698 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000096915563 562800993 /nfs/dbraw/zinc/80/09/93/562800993.db2.gz NXAHGOGSOIHHRJ-KLTBDXOYSA-N -1 0 554.812 7.722 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)[C@@H]5CC=CC[C@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 ZINC000096927790 562802700 /nfs/dbraw/zinc/80/27/00/562802700.db2.gz JHTFVLNGWJTJBI-WFRLCFBHSA-N -1 0 540.704 7.029 1 0 KKAFRM CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)c2ccccc2C(=O)[O-])C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934461 562803856 /nfs/dbraw/zinc/80/38/56/562803856.db2.gz CRYHFAYVGUAMGK-VQTDTSAMSA-N -1 0 624.859 7.275 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000098082782 562805297 /nfs/dbraw/zinc/80/52/97/562805297.db2.gz YWQSEOGSFSYRKZ-RUZDIDTESA-N -1 0 546.472 7.610 1 0 KKAFRM CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000098082787 562805311 /nfs/dbraw/zinc/80/53/11/562805311.db2.gz ONQVKTJEVCDNKH-SANMLTNESA-N -1 0 509.599 6.751 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208281 562805944 /nfs/dbraw/zinc/80/59/44/562805944.db2.gz UQONPZNBMIQADI-XWVZOOPGSA-N -1 0 556.508 5.470 1 0 in-vitro KKAFRM CC[C@@H](c1cccc(C2CC2)n1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208393 562806005 /nfs/dbraw/zinc/80/60/05/562806005.db2.gz QHQNRLZCHQCYRC-IEPITWRRSA-N -1 0 551.514 7.955 1 0 in-vitro KKAFRM O=c1cc(C(CC2CC2)CC2CC2)oc([O-])c1[C@@H](c1cccc(CS(=O)(=O)c2ccccn2)c1)C1CC1 ZINC000100044972 562806380 /nfs/dbraw/zinc/80/63/80/562806380.db2.gz UVPFSGQRUDOKFF-MUUNZHRXSA-N -1 0 519.663 5.940 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(c3nccc(C(F)(F)F)n3)CC[C@H]2C(=O)[O-])c1 ZINC000100074439 562806603 /nfs/dbraw/zinc/80/66/03/562806603.db2.gz IEGYKDPCLABPHO-XMMPIXPASA-N -1 0 564.564 6.118 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1)C(=O)[O-] ZINC000103250213 562820231 /nfs/dbraw/zinc/82/02/31/562820231.db2.gz STHHWRMRUPLWFM-INIZCTEOSA-N -1 0 555.951 7.584 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3cccc(Br)c3)c1)C1CC1)CCCCCC2 ZINC000100763955 562807656 /nfs/dbraw/zinc/80/76/56/562807656.db2.gz ZHHWQQIXOARMKM-XMMPIXPASA-N -1 0 558.494 6.110 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(Cl)cc3)c1)C1CC1)CCCCCC2 ZINC000100763722 562807661 /nfs/dbraw/zinc/80/76/61/562807661.db2.gz XHHYDBYLJJOWLO-XMMPIXPASA-N -1 0 514.043 6.001 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3cccc(Br)c3)c1)C1CC1)CCCCCC2 ZINC000100763952 562807692 /nfs/dbraw/zinc/80/76/92/562807692.db2.gz ZHHWQQIXOARMKM-DEOSSOPVSA-N -1 0 558.494 6.110 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c1)C1CC1)CCCCCC2 ZINC000100764118 562807709 /nfs/dbraw/zinc/80/77/09/562807709.db2.gz OKJAQAXBTWOCKM-DEOSSOPVSA-N -1 0 547.595 6.366 1 0 KKAFRM Cc1cccc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000100850631 562808231 /nfs/dbraw/zinc/80/82/31/562808231.db2.gz NVONIBWWXNXALH-VEEOACQBSA-N -1 0 561.465 6.214 1 0 KKAFRM Cn1c(COc2ccc([C@](C)(CCC(=O)[O-])c3ccc(OCc4ccc5ccccc5n4)cc3)cc2)nc2ccccc21 ZINC000100880715 562808417 /nfs/dbraw/zinc/80/84/17/562808417.db2.gz QNZRYCQGLISDEP-PSXMRANNSA-N -1 0 571.677 7.450 1 0 KKAFRM O=C([O-])[C@@H](Oc1cccc(Cl)c1)[C@@]1(c2ccccc2)NCC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000101004710 562808643 /nfs/dbraw/zinc/80/86/43/562808643.db2.gz CSEUMOSCUZUMNY-DGPALRBDSA-N -1 0 581.883 6.559 1 0 KKAFRM COc1ccc(CC[C@@]2(C3CCCC3)CC([O-])=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000101087709 562809104 /nfs/dbraw/zinc/80/91/04/562809104.db2.gz ICHIQKXHMJFKHX-SANMLTNESA-N -1 0 529.062 5.774 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c1)C1CC1)CCCCCC2 ZINC000101170138 562809589 /nfs/dbraw/zinc/80/95/89/562809589.db2.gz VKFZRZZTZMBOEB-DEOSSOPVSA-N -1 0 547.595 6.366 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3ccc4ccccc4c3)c1)C1CC1)CCCCCC2 ZINC000101178084 562809677 /nfs/dbraw/zinc/80/96/77/562809677.db2.gz QJAJQLXUTPRZBM-NDEPHWFRSA-N -1 0 529.658 6.500 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3ccc4ccccc4c3)c1)C1CC1)CCCCCC2 ZINC000101178085 562809686 /nfs/dbraw/zinc/80/96/86/562809686.db2.gz QJAJQLXUTPRZBM-MUUNZHRXSA-N -1 0 529.658 6.500 1 0 KKAFRM O=C([O-])[C@H]1CC[C@@H](CNc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101205322 562809986 /nfs/dbraw/zinc/80/99/86/562809986.db2.gz DMEDNZSJTBCBCR-QFBLVHQRSA-N -1 0 616.624 7.050 1 0 KKAFRM C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000101337519 562810343 /nfs/dbraw/zinc/81/03/43/562810343.db2.gz GNMUUZLIIOWGJN-PLWJUESGSA-N -1 0 521.447 5.224 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101419147 562810630 /nfs/dbraw/zinc/81/06/30/562810630.db2.gz VAHMHSTXFFNMNL-LJAQVGFWSA-N -1 0 612.604 7.204 1 0 KKAFRM Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101428842 562810675 /nfs/dbraw/zinc/81/06/75/562810675.db2.gz HJJRLNWKWBKVNV-GDLZYMKVSA-N -1 0 602.653 7.590 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101424892 562810692 /nfs/dbraw/zinc/81/06/92/562810692.db2.gz MDVGUJSFBBAKTR-HKBQPEDESA-N -1 0 610.632 7.253 1 0 KKAFRM CC(=O)OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2n(C)c1=O ZINC000101444631 562810728 /nfs/dbraw/zinc/81/07/28/562810728.db2.gz MCRWIFOZDQHZNL-VWLOTQADSA-N -1 0 545.433 5.774 1 0 KKAFRM Cc1c([C@H](c2ccc(Cl)cc2Cl)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000101498416 562811039 /nfs/dbraw/zinc/81/10/39/562811039.db2.gz NHBXRQRKMMKNMD-QHCPKHFHSA-N -1 0 507.373 5.783 1 0 KKAFRM Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101503183 562811069 /nfs/dbraw/zinc/81/10/69/562811069.db2.gz MQRNQDUYXZPWAN-GDLZYMKVSA-N -1 0 611.620 6.777 1 0 KKAFRM CCCOC(=O)C(=Cc1cccc(OC)c1OC)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169252 562814728 /nfs/dbraw/zinc/81/47/28/562814728.db2.gz YDZCSBNRCSQDCU-NQCZSQBNSA-N -1 0 547.629 5.884 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2C(=O)[O-])n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103213119 562816791 /nfs/dbraw/zinc/81/67/91/562816791.db2.gz USIFVANTNLTPFC-UHFFFAOYSA-N -1 0 568.663 5.092 1 0 KKAFRM CCOC(=O)C(=Cc1ccc(OC)cc1)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103215268 562817036 /nfs/dbraw/zinc/81/70/36/562817036.db2.gz URJMXVBYLMIWLH-NPWCAHBGSA-N -1 0 503.576 5.485 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(OC)cc1OC)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103216560 562817136 /nfs/dbraw/zinc/81/71/36/562817136.db2.gz IHMSIUVHOIVXPC-ABBNRAPFSA-N -1 0 547.629 5.884 1 0 KKAFRM CCOc1ccc(OCC)c(SC2=C([O-])C[C@@](COc3ccc4ccccc4c3)(c3ccccc3)OC2=O)c1 ZINC000103218865 562817297 /nfs/dbraw/zinc/81/72/97/562817297.db2.gz UJZWMBMCZFBXLX-JGCGQSQUSA-N -1 0 542.653 7.420 1 0 KKAFRM Cc1cc([C@@H]2C[C@@H]2[C@H](OCCC2CCCCC2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000103229918 562818094 /nfs/dbraw/zinc/81/80/94/562818094.db2.gz LJNKNSLLALFXBC-UNCTUWKVSA-N -1 0 548.642 8.276 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)cs2)n1)C(=O)[O-] ZINC000103240163 562819408 /nfs/dbraw/zinc/81/94/08/562819408.db2.gz JJSVZPDYZGXUSG-INIZCTEOSA-N -1 0 541.924 7.275 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)cs2)n1)C(=O)[O-] ZINC000103240165 562819411 /nfs/dbraw/zinc/81/94/11/562819411.db2.gz JJSVZPDYZGXUSG-MRXNPFEDSA-N -1 0 541.924 7.275 1 0 KKAFRM C[C@@]1(c2ccc(F)cc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240777 562819525 /nfs/dbraw/zinc/81/95/25/562819525.db2.gz CRSQAMAGSKEBHU-LJAQVGFWSA-N -1 0 517.532 5.501 1 0 KKAFRM CCCN(C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])C(=O)c1cccc(-c2ccc(OC)cc2)c1 ZINC000103242713 562819671 /nfs/dbraw/zinc/81/96/71/562819671.db2.gz PBXQKRPHTTVMKA-VWLOTQADSA-N -1 0 506.624 5.311 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243862 562819734 /nfs/dbraw/zinc/81/97/34/562819734.db2.gz UXTMCOJFIVJBRG-CXTNQITHSA-N -1 0 622.533 7.066 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1)C(=O)[O-] ZINC000103250225 562820186 /nfs/dbraw/zinc/82/01/86/562820186.db2.gz QJZPYGUQBSNYNO-FQEVSTJZSA-N -1 0 539.126 8.180 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)n1)C(=O)[O-] ZINC000103250187 562820196 /nfs/dbraw/zinc/82/01/96/562820196.db2.gz SBEGOPYNOFEYQY-MRXNPFEDSA-N -1 0 531.025 7.532 1 0 KKAFRM CC(C)(C)C(=O)OCn1cnc2cc(F)c(Cn3c4cc(F)c5ccoc5c4c(-c4ccc[nH]c4=O)c3C(=O)[O-])cc2c1=O ZINC000103252895 562820446 /nfs/dbraw/zinc/82/04/46/562820446.db2.gz ZZJKESQTGKQPNF-UHFFFAOYSA-N -1 0 602.550 5.024 1 0 KKAFRM CCCc1[nH]c2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263765 562821778 /nfs/dbraw/zinc/82/17/78/562821778.db2.gz HQQXSUYKGASMSB-WJOKGBTCSA-N -1 0 530.668 7.958 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2cc(C(=O)N[C@@H](CC)c3ccccc3)ccc2n1OC ZINC000103263759 562821782 /nfs/dbraw/zinc/82/17/82/562821782.db2.gz WBYXTLLOSMQQLU-YTTGMZPUSA-N -1 0 560.694 7.489 1 0 KKAFRM COc1ncc(-c2cnc3nc(N)c(-c4ccccc4)cc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000103264473 562821976 /nfs/dbraw/zinc/82/19/76/562821976.db2.gz SBYFOHJJQOLDEW-UHFFFAOYSA-N -1 0 519.533 5.029 1 0 KKAFRM O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@H]2c2cccs2)cc1 ZINC000103276988 562823250 /nfs/dbraw/zinc/82/32/50/562823250.db2.gz JYCMGFZEHOILAU-BVAGGSTKSA-N -1 0 530.700 5.561 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(O)c(C(=O)[O-])c1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000103300785 562824941 /nfs/dbraw/zinc/82/49/41/562824941.db2.gz NGRNQSQDPRHVNO-UHFFFAOYSA-N -1 0 612.748 6.659 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)c2ccc(Oc3ccccc3)cc2)cc1O ZINC000103300725 562824960 /nfs/dbraw/zinc/82/49/60/562824960.db2.gz OLXWDYQDECAQDI-UHFFFAOYSA-N -1 0 521.613 7.777 1 0 KKAFRM O=C([O-])c1cc(N(Cc2ccccc2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000103300802 562824983 /nfs/dbraw/zinc/82/49/83/562824983.db2.gz CUGCUQWRWBVHRP-UHFFFAOYSA-N -1 0 606.700 6.182 1 0 KKAFRM CC(C)Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000103300792 562824996 /nfs/dbraw/zinc/82/49/96/562824996.db2.gz FPYWTHVZVCCUJI-UHFFFAOYSA-N -1 0 621.155 6.463 1 0 KKAFRM COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000114492669 562828218 /nfs/dbraw/zinc/82/82/18/562828218.db2.gz QKAALDVCXLSPCV-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM Cn1nc(C(=O)[O-])c2ccc([C@H]3C[C@H]3c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)cc21 ZINC000115371464 562828839 /nfs/dbraw/zinc/82/88/39/562828839.db2.gz XVRQMMDRSOAMJJ-RTWAWAEBSA-N -1 0 608.909 8.614 1 0 KKAFRM CC(C)n1nc(C(=O)[O-])cc1[C@H]1C[C@@H]1c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl ZINC000115372027 562828851 /nfs/dbraw/zinc/82/88/51/562828851.db2.gz OVLGBZJMJCQCMG-MOPGFXCFSA-N -1 0 586.903 8.505 1 0 KKAFRM O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)c1nc(Cl)c(-c2ccc3[nH]c(=O)cc([O-])c3c2)[nH]1 ZINC000115471163 562828944 /nfs/dbraw/zinc/82/89/44/562828944.db2.gz RCYZPBYSKQZUTF-BVRWQAIYSA-N -1 0 613.465 5.020 1 0 KKAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)[O-])c[nH]4)c3)cc2)c1 ZINC000116235461 562829307 /nfs/dbraw/zinc/82/93/07/562829307.db2.gz LNTWWMOOPMLARL-UHFFFAOYSA-N -1 0 531.544 5.555 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])c1 ZINC000136407437 562831173 /nfs/dbraw/zinc/83/11/73/562831173.db2.gz OFSFPJPNBYCWAS-SQHAQQRYSA-N -1 0 526.589 5.646 1 0 KKAFRM COc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000136822774 562831293 /nfs/dbraw/zinc/83/12/93/562831293.db2.gz FJRYTTUZWOISRJ-DTQAZKPQSA-N -1 0 592.696 6.296 1 0 KKAFRM Cc1cc2ccccc2n1Cc1ccc(-c2nccnc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000137238468 562831415 /nfs/dbraw/zinc/83/14/15/562831415.db2.gz CLPBOGUIFOKTHW-UHFFFAOYSA-N -1 0 522.552 6.275 1 0 KKAFRM O=C([O-])c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)ccc1CCCOc1ccccc1 ZINC000140400848 562833083 /nfs/dbraw/zinc/83/30/83/562833083.db2.gz PKEFYKXFFFEGCZ-UHFFFAOYSA-N -1 0 564.667 6.216 1 0 KKAFRM Cc1cc(Nc2cc(C3CCC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142211439 562834034 /nfs/dbraw/zinc/83/40/34/562834034.db2.gz NBFTVJLMSCIABA-LJAQVGFWSA-N -1 0 512.635 6.190 1 0 KKAFRM Cc1cc(Nc2cc(O[C@@H]3CCOC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142346940 562834162 /nfs/dbraw/zinc/83/41/62/562834162.db2.gz CGPASJOJARANMP-ONOMSOESSA-N -1 0 544.633 5.090 1 0 KKAFRM CC(C)C[C@]1(C)N=C(c2cccc(F)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000142731361 562834292 /nfs/dbraw/zinc/83/42/92/562834292.db2.gz ZWDVYGWCRADFRI-AYWVHJORSA-N -1 0 547.679 5.230 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(OCC(F)(F)F)cc2)cn1 ZINC000143170690 562834708 /nfs/dbraw/zinc/83/47/08/562834708.db2.gz KGZXPYSTVRCFHV-UHFFFAOYSA-N -1 0 501.244 6.072 1 0 KKAFRM CS(=O)(=O)c1cc(Cl)ccc1C(=C(c1ccc(C=CC(=O)[O-])cc1)c1ccc2[nH]nc(F)c2c1)C1CCC1 ZINC000146305642 562838421 /nfs/dbraw/zinc/83/84/21/562838421.db2.gz NHXOHGMVHNTGGD-IELKENRMSA-N -1 0 551.039 6.616 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2ccccc2Cl)=NC12CCC(C(C)(C)C)CC2 ZINC000147327082 562839281 /nfs/dbraw/zinc/83/92/81/562839281.db2.gz ZPEAKZQNWSSGFO-FPMXYRNVSA-N -1 0 538.088 5.870 1 0 KKAFRM COc1cncc(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2nc[n-]s2)C3)c1 ZINC000147407265 562839309 /nfs/dbraw/zinc/83/93/09/562839309.db2.gz BCQVFSKMBDJDOF-UHFFFAOYSA-N -1 0 547.584 5.010 1 0 KKAFRM CC(C)(C)NS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 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CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(CC(=O)[O-])o2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169310017 562854560 /nfs/dbraw/zinc/85/45/60/562854560.db2.gz DXESSOIHKFKNRW-CWIPYCOQSA-N -1 0 679.638 7.046 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=NC12CCC(C(C)(C)C)CC2 ZINC000169312978 562855533 /nfs/dbraw/zinc/85/55/33/562855533.db2.gz WUMDASZKCLTWBH-STUMSYOLSA-N -1 0 652.766 6.675 1 0 KKAFRM CC(=C\c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)n1)/C=C(/C)C(=O)OCC(=O)[O-] ZINC000169322005 562856781 /nfs/dbraw/zinc/85/67/81/562856781.db2.gz UVEOWNQFMJDFRB-RFYGNALQSA-N -1 0 778.928 7.717 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(CCC(=O)OCCc3ccccc3)c2)cc1 ZINC000169329517 562858544 /nfs/dbraw/zinc/85/85/44/562858544.db2.gz FXRFFOBRSZLLLS-UHFFFAOYSA-N -1 0 623.706 6.311 1 0 KKAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOc4cc(=O)c5c(O)cc(-c6ccc(O)cc6)oc-5c4)CC3)c(F)cc2c1=O ZINC000169337461 562860022 /nfs/dbraw/zinc/86/00/22/562860022.db2.gz XCHKSCLXRLJCJA-UHFFFAOYSA-N -1 0 681.648 5.353 1 0 KKAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343863 562861288 /nfs/dbraw/zinc/86/12/88/562861288.db2.gz OBVXQYHYKVZGEN-UHFFFAOYSA-N -1 0 632.827 5.557 1 0 KKAFRM COc1ccc2cc([C@H](C)C(=O)Oc3cccc(Cn4cc5c(n4)C[C@@H]4CC[C@H]6[C@@H]7CC[C@@H]([C@H](C)CCC(=O)NCC(=O)[O-])[C@@]7(C)CC[C@@H]6[C@@]4(C)C5)c3)ccc2c1 ZINC000169346667 562861837 /nfs/dbraw/zinc/86/18/37/562861837.db2.gz CBBNFKIUOKXJCZ-SYIRVHJKSA-N -1 0 774.015 8.993 1 0 KKAFRM COc1cc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)[O-])c6)c5c4)cc32)cc(OC)c1 ZINC000169348521 562862308 /nfs/dbraw/zinc/86/23/08/562862308.db2.gz HIYHESPNRNAKFP-UHFFFAOYSA-N -1 0 516.597 7.075 1 0 KKAFRM Cc1c(/C=C/C(=O)[O-])oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c12 ZINC000169349730 562862696 /nfs/dbraw/zinc/86/26/96/562862696.db2.gz HJNONGVGWPNBLK-ZHACJKMWSA-N -1 0 529.980 6.309 1 0 KKAFRM Cc1c2cc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c(Cl)cc2oc1C(=O)[O-] ZINC000169349716 562862707 /nfs/dbraw/zinc/86/27/07/562862707.db2.gz MEVXQVCFUKETIW-UHFFFAOYSA-N -1 0 503.942 5.909 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(-c7ccc(F)cc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000169353471 562863530 /nfs/dbraw/zinc/86/35/30/562863530.db2.gz DQELCQVUTLKBMU-IDSDQTAJSA-N -1 0 572.809 8.767 1 0 KKAFRM CCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000169677033 562865006 /nfs/dbraw/zinc/86/50/06/562865006.db2.gz VFYNXKZVOUXHDX-IYZYYMEGSA-N -1 0 810.938 5.296 1 0 KKAFRM C[C@H]1CN(C(=O)Nc2ccc(F)c(Cl)c2)c2ccc(-c3ccc(OCC(C)(C)C(=O)[O-])nc3)cc2O1 ZINC000169700518 562867698 /nfs/dbraw/zinc/86/76/98/562867698.db2.gz BKJJMXSAWCNXTB-HNNXBMFYSA-N -1 0 513.953 5.850 1 0 KKAFRM CC(C)C[C@@]1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169700289 562867700 /nfs/dbraw/zinc/86/77/00/562867700.db2.gz DMRXQRCXRFKICE-NJHZRGNWSA-N -1 0 588.576 7.159 1 0 KKAFRM Cc1nn(Cc2ccc(NC(=O)c3oc4cc(Br)ccc4c3C)cc2F)c(C)c1CC(=O)[O-] ZINC000169703208 562868674 /nfs/dbraw/zinc/86/86/74/562868674.db2.gz FXDNEGCZSMFHOW-UHFFFAOYSA-N -1 0 514.351 5.384 1 0 KKAFRM Cc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3Cc3ccccc3)cc2F)c(C)c1CC(=O)[O-] ZINC000169703170 562868678 /nfs/dbraw/zinc/86/86/78/562868678.db2.gz TVECYMUPQLGJFU-UHFFFAOYSA-N -1 0 510.569 5.570 1 0 KKAFRM Cc1cc(Nc2cc(C3CCCCC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704389 562868896 /nfs/dbraw/zinc/86/88/96/562868896.db2.gz HCBQWBAQKUCWRP-WJOKGBTCSA-N -1 0 540.689 6.970 1 0 KKAFRM Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704411 562868937 /nfs/dbraw/zinc/86/89/37/562868937.db2.gz IPCWPMKGLFZOGM-AREMUKBSSA-N -1 0 508.550 5.860 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[N-]S(=O)(=O)C5CC5)ccc43)s2)c1 ZINC000169704404 562868948 /nfs/dbraw/zinc/86/89/48/562868948.db2.gz ALRGXDCFURSIAF-MUUNZHRXSA-N -1 0 629.686 5.465 1 0 KKAFRM CCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)[O-])ccc54)s3)n2)c1 ZINC000169704415 562868978 /nfs/dbraw/zinc/86/89/78/562868978.db2.gz PXCUNDGCYQWEEF-MHZLTWQESA-N -1 0 502.596 5.321 1 0 KKAFRM COc1ccc(C2CCC(C(=O)[O-])CC2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709077 562870373 /nfs/dbraw/zinc/87/03/73/562870373.db2.gz RJWFJWOXXKPZLK-URYZJZJHSA-N -1 0 661.639 9.464 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C)c3)cc12 ZINC000198620275 562872833 /nfs/dbraw/zinc/87/28/33/562872833.db2.gz KQFBRMGNESOYGS-QHCPKHFHSA-N -1 0 516.641 7.471 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000198923180 562872856 /nfs/dbraw/zinc/87/28/56/562872856.db2.gz LETNSIWDILDIKU-DEOSSOPVSA-N -1 0 544.695 8.286 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)cc12 ZINC000198852398 562872862 /nfs/dbraw/zinc/87/28/62/562872862.db2.gz MFHKURILOJWBNE-QHCPKHFHSA-N -1 0 542.679 8.040 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)C3CCN(C(=O)OCc4ccccc4)CC3)cc12 ZINC000198907396 562872899 /nfs/dbraw/zinc/87/28/99/562872899.db2.gz DZODKUVBVKEFGB-MHZLTWQESA-N -1 0 643.784 7.839 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C(F)(F)F)cc1 ZINC000202254191 562873602 /nfs/dbraw/zinc/87/36/02/562873602.db2.gz OKIIEJGMUVNCQY-UHFFFAOYSA-N -1 0 570.467 6.246 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202312830 562873621 /nfs/dbraw/zinc/87/36/21/562873621.db2.gz CVAIBYVVROUPSO-SANMLTNESA-N -1 0 543.982 5.799 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1 ZINC000202314520 562873671 /nfs/dbraw/zinc/87/36/71/562873671.db2.gz FGALGFUODDWEFL-MHZLTWQESA-N -1 0 543.978 6.897 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2o1 ZINC000202317360 562873676 /nfs/dbraw/zinc/87/36/76/562873676.db2.gz HVHYJFBRDNHFRQ-HHHXNRCGSA-N -1 0 525.988 6.758 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccccc3Cl)ccc2n1 ZINC000202321532 562873708 /nfs/dbraw/zinc/87/37/08/562873708.db2.gz HBXLOJINWBKPHW-AREMUKBSSA-N -1 0 525.992 5.659 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(CCc3ccccc3)ccc2n1 ZINC000202321765 562873710 /nfs/dbraw/zinc/87/37/10/562873710.db2.gz TWSXTSPPLQSRBN-MUUNZHRXSA-N -1 0 519.601 5.124 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1 ZINC000202323365 562873714 /nfs/dbraw/zinc/87/37/14/562873714.db2.gz ZRNUWJSECRXGKP-MHZLTWQESA-N -1 0 543.978 6.897 1 0 KKAFRM Cc1c2cc(-c3ccc(Cl)cc3)ccc2oc1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202322545 562873715 /nfs/dbraw/zinc/87/37/15/562873715.db2.gz XZYSPOJFVRCWCF-NDEPHWFRSA-N -1 0 540.015 7.066 1 0 KKAFRM Cc1c2cc(-c3ccc(Cl)cc3)ccc2oc1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202322565 562873737 /nfs/dbraw/zinc/87/37/37/562873737.db2.gz XZYSPOJFVRCWCF-MUUNZHRXSA-N -1 0 540.015 7.066 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nc2ccc(-c3ccc(Cl)cc3)cn2c1Cl ZINC000202324957 562873746 /nfs/dbraw/zinc/87/37/46/562873746.db2.gz WTFGOZAIRGFZIW-VWLOTQADSA-N -1 0 560.437 6.313 1 0 KKAFRM Cc1c2ccccc2c(C2CC2)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203662903 562874008 /nfs/dbraw/zinc/87/40/08/562874008.db2.gz XRHKIJYUEWQSTI-UHFFFAOYSA-N -1 0 556.562 6.413 1 0 KKAFRM Cc1cc2ccccc2nc1N(Cc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203664283 562874033 /nfs/dbraw/zinc/87/40/33/562874033.db2.gz YAKQACNXAFHVPS-UHFFFAOYSA-N -1 0 518.488 5.795 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)C3CC3)c(Cl)c2)c2ncc3ccccc3c2C2CC2)cc1 ZINC000203669298 562874048 /nfs/dbraw/zinc/87/40/48/562874048.db2.gz YTKKSRSSZSDMOY-UHFFFAOYSA-N -1 0 583.056 7.361 1 0 KKAFRM Cc1c2ccccc2c(C(C)C)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203668148 562874053 /nfs/dbraw/zinc/87/40/53/562874053.db2.gz MHTJVQCBCQAXGP-UHFFFAOYSA-N -1 0 558.578 6.659 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(c1)CCC2(C)C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203666909 562874059 /nfs/dbraw/zinc/87/40/59/562874059.db2.gz TXMQIHYKAVMTEJ-UHFFFAOYSA-N -1 0 500.620 5.861 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(-c2ccccc2)cn1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204359475 562874409 /nfs/dbraw/zinc/87/44/09/562874409.db2.gz JLBCPXBCDQMCFG-UHFFFAOYSA-N -1 0 509.587 5.699 1 0 KKAFRM Cn1nccc1CNC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])cc1 ZINC000204936297 562874637 /nfs/dbraw/zinc/87/46/37/562874637.db2.gz IBGCHEOOIZCRIM-UHFFFAOYSA-N -1 0 563.466 6.813 1 0 KKAFRM CCN(Cc1ccccc1)C(=O)Nc1cc(-c2ccc(Cl)c(CCCCNC(=O)OC)c2)sc1C(=O)[O-] ZINC000205007477 562874703 /nfs/dbraw/zinc/87/47/03/562874703.db2.gz KRUZIKIISAHBEF-UHFFFAOYSA-N -1 0 544.073 6.499 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2cccs2)cc1 ZINC000205061833 562874914 /nfs/dbraw/zinc/87/49/14/562874914.db2.gz LAXIVIVLNIZIAG-UHFFFAOYSA-N -1 0 565.503 8.141 1 0 KKAFRM Cn1cc(-c2cc(Br)cc(C(F)(F)F)c2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205423172 562875285 /nfs/dbraw/zinc/87/52/85/562875285.db2.gz OYFWEYSSICIJSQ-UHFFFAOYSA-N -1 0 517.352 5.279 1 0 KKAFRM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4cccc(-c5ccc(C(=O)[O-])nc5)c4)o3)nc2s1 ZINC000205714215 562875736 /nfs/dbraw/zinc/87/57/36/562875736.db2.gz DPHKTJPRZYSJSJ-UHFFFAOYSA-N -1 0 528.546 5.560 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205985714 562876064 /nfs/dbraw/zinc/87/60/64/562876064.db2.gz HJSFJKFQTHNUFG-GMAHTHKFSA-N -1 0 512.650 6.773 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H]3COc4ccccc4C3)cc12 ZINC000205971116 562876006 /nfs/dbraw/zinc/87/60/06/562876006.db2.gz XPCLROUCHIPBSJ-MHZLTWQESA-N -1 0 530.624 6.405 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12 ZINC000205979380 562876032 /nfs/dbraw/zinc/87/60/32/562876032.db2.gz UAYKPDKWEPQCKH-DEOSSOPVSA-N -1 0 560.694 7.950 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3C(F)(F)F)cc12 ZINC000205975912 562876037 /nfs/dbraw/zinc/87/60/37/562876037.db2.gz FJOURLWFDVUCAQ-NRFANRHFSA-N -1 0 570.611 8.181 1 0 KKAFRM Cc1c(C)n(Cc2cccc(OC(C)(C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205979216 562876052 /nfs/dbraw/zinc/87/60/52/562876052.db2.gz UHLBFUVQAJGUJG-QFIPXVFZSA-N -1 0 526.677 7.163 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12 ZINC000205991066 562876102 /nfs/dbraw/zinc/87/61/02/562876102.db2.gz MRTJZDMLAUWFHJ-ICSRJNTNSA-N -1 0 505.014 6.303 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206009967 562876128 /nfs/dbraw/zinc/87/61/28/562876128.db2.gz RINPAMYCLSKNFG-FPOVZHCZSA-N -1 0 545.079 7.180 1 0 KKAFRM Cc1c(C)n(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000206004694 562876129 /nfs/dbraw/zinc/87/61/29/562876129.db2.gz MXOHVGBFHYSDRF-JTHBVZDNSA-N -1 0 512.650 6.773 1 0 KKAFRM Cc1c(C)n(Cc2cccc(OC(C)(C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206000535 562876133 /nfs/dbraw/zinc/87/61/33/562876133.db2.gz DLXSTRGKTJFVEB-QFIPXVFZSA-N -1 0 540.704 7.337 1 0 KKAFRM Cc1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206009995 562876145 /nfs/dbraw/zinc/87/61/45/562876145.db2.gz JFOOVABXXMXZLB-FPOVZHCZSA-N -1 0 528.624 6.666 1 0 KKAFRM Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12 ZINC000205999981 562876161 /nfs/dbraw/zinc/87/61/61/562876161.db2.gz ODGSDUIOJXTQJF-HKUYNNGSSA-N -1 0 583.910 7.065 1 0 KKAFRM Cc1c(C)n(Cc2ccc(F)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206017710 562876198 /nfs/dbraw/zinc/87/61/98/562876198.db2.gz UOROYSIXQQDIFM-UNMCSNQZSA-N -1 0 544.667 7.086 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000215511602 562877342 /nfs/dbraw/zinc/87/73/42/562877342.db2.gz CUAWFKPONCJPMJ-UHFFFAOYSA-N -1 0 520.973 5.961 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)[N-]c3ccon3)ccc21 ZINC000215511737 562877404 /nfs/dbraw/zinc/87/74/04/562877404.db2.gz PLEDPBLRULDFLA-UHFFFAOYSA-N -1 0 509.946 6.159 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4[C@@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000218060369 562877827 /nfs/dbraw/zinc/87/78/27/562877827.db2.gz FFZTZQDRYOEIPO-ZEQRLZLVSA-N -1 0 520.427 5.954 1 0 KKAFRM COc1cc(CO)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)[O-])nc1 ZINC000218495157 562877921 /nfs/dbraw/zinc/87/79/21/562877921.db2.gz FVHLKKCHOIFKMV-UHFFFAOYSA-N -1 0 530.377 5.363 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)cc1F)C(=O)[O-] ZINC000219363488 562878080 /nfs/dbraw/zinc/87/80/80/562878080.db2.gz FHGQHHZYMJOVLO-UHFFFAOYSA-N -1 0 501.533 6.143 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ncccn2)cc1 ZINC000219363802 562878115 /nfs/dbraw/zinc/87/81/15/562878115.db2.gz SWBVCKJHQJDHEU-LOSJGSFVSA-N -1 0 575.694 7.089 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F ZINC000219414122 562878160 /nfs/dbraw/zinc/87/81/60/562878160.db2.gz DQGVUJIWKQIWHH-JWQCQUIFSA-N -1 0 588.477 7.472 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000219380132 562878172 /nfs/dbraw/zinc/87/81/72/562878172.db2.gz UDFNTKORYAIDPR-UHFFFAOYSA-N -1 0 550.478 6.689 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(F)(F)F)cc1Cl ZINC000219598898 562878311 /nfs/dbraw/zinc/87/83/11/562878311.db2.gz SDNVBLSBJDSFCC-UHFFFAOYSA-N -1 0 528.766 8.821 1 0 KKAFRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000220523287 562878546 /nfs/dbraw/zinc/87/85/46/562878546.db2.gz GBNWSPNNZXXHMJ-KAYWLYCHSA-N -1 0 556.460 6.799 1 0 KKAFRM CS(=O)(=O)Nc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000220525204 562878569 /nfs/dbraw/zinc/87/85/69/562878569.db2.gz GETNXXSOJRUYQZ-LQJZCPKCSA-N -1 0 660.796 7.609 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000220525851 562878572 /nfs/dbraw/zinc/87/85/72/562878572.db2.gz NUISDNIZVVNWDE-ACHIHNKUSA-N -1 0 635.686 9.256 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(OC(F)(F)F)c1 ZINC000220524064 562878578 /nfs/dbraw/zinc/87/85/78/562878578.db2.gz WDFWCAZDHPASGZ-FTJBHMTQSA-N -1 0 575.587 7.469 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cn1 ZINC000220526013 562878595 /nfs/dbraw/zinc/87/85/95/562878595.db2.gz UZDIHMPLXFQIQK-KYJUHHDHSA-N -1 0 599.691 7.036 1 0 KKAFRM CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1OCCC[C@H]1O[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000220960612 562878706 /nfs/dbraw/zinc/87/87/06/562878706.db2.gz VWKCFDZBVNFTLU-SXRUTACXSA-N -1 0 563.669 5.660 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)c1 ZINC000221031922 562878714 /nfs/dbraw/zinc/87/87/14/562878714.db2.gz FHXHSGHVLJCOPB-UHFFFAOYSA-N -1 0 631.426 6.098 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCCCC(=O)[O-])CC1 ZINC000222363458 562879815 /nfs/dbraw/zinc/87/98/15/562879815.db2.gz VIBDLTFXRUXBCF-SJHOIFEDSA-N -1 0 770.793 7.386 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)[C@H]2Cc3ccccc3N2)cc(C)c1Cl ZINC000222494127 562879818 /nfs/dbraw/zinc/87/98/18/562879818.db2.gz XCGQNVFQNMUDAL-HHHXNRCGSA-N -1 0 643.593 5.316 1 0 KKAFRM COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1OCc1nnn[n-]1)C2=O ZINC000224075594 562880287 /nfs/dbraw/zinc/88/02/87/562880287.db2.gz LXVKCNFEVHJFNO-NDEPHWFRSA-N -1 0 590.471 6.153 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc([C@H](C)C(=O)[O-])cc3)c2)CC1 ZINC000224442959 562880467 /nfs/dbraw/zinc/88/04/67/562880467.db2.gz SVAJTWPRBQSGLV-NRFANRHFSA-N -1 0 550.627 7.003 1 0 KKAFRM COc1cc(-c2cnc(F)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225144093 562880772 /nfs/dbraw/zinc/88/07/72/562880772.db2.gz PEBSMSQGRQRUQX-UHFFFAOYSA-N -1 0 501.543 5.011 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4CCCC[C@H]4C(=O)[O-])n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1 ZINC000226024251 562880833 /nfs/dbraw/zinc/88/08/33/562880833.db2.gz AWSVEDOABJDDAZ-DHIUTWEWSA-N -1 0 557.544 6.763 1 0 KKAFRM Cn1cc(F)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226017266 562880843 /nfs/dbraw/zinc/88/08/43/562880843.db2.gz SAXIMRWJNODFAY-MOPGFXCFSA-N -1 0 564.511 5.932 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1 ZINC000226024237 562880844 /nfs/dbraw/zinc/88/08/44/562880844.db2.gz AWSVEDOABJDDAZ-GOTSBHOMSA-N -1 0 557.544 6.763 1 0 KKAFRM Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226022532 562880855 /nfs/dbraw/zinc/88/08/55/562880855.db2.gz SASJVKVBBUFAKR-MOPGFXCFSA-N -1 0 580.966 6.447 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4Cl)c3c2)n1 ZINC000226030022 562880890 /nfs/dbraw/zinc/88/08/90/562880890.db2.gz PSBGDXXIMLGIAO-RTWAWAEBSA-N -1 0 562.976 6.308 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000226100880 562880936 /nfs/dbraw/zinc/88/09/36/562880936.db2.gz PKOYWFOHHRGCON-FGZHOGPDSA-N -1 0 576.516 7.394 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-n2cccn2)cc1)C(=O)[O-] ZINC000226099372 562880951 /nfs/dbraw/zinc/88/09/51/562880951.db2.gz GRWRHZDGJLESMD-UHFFFAOYSA-N -1 0 531.616 6.051 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cccc(F)c4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000226104847 562880966 /nfs/dbraw/zinc/88/09/66/562880966.db2.gz ZKHUMQAIJXTOGM-DQEYMECFSA-N -1 0 588.477 7.472 1 0 KKAFRM CC1(C)CCC[C@@]1(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000226102302 562880972 /nfs/dbraw/zinc/88/09/72/562880972.db2.gz XBZYTQQWHJXJQY-MGBGTMOVSA-N -1 0 598.541 7.798 1 0 KKAFRM CC(=O)Nc1cccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)c1 ZINC000226107602 562880975 /nfs/dbraw/zinc/88/09/75/562880975.db2.gz JSCIUHWYOKNVDC-UHFFFAOYSA-N -1 0 598.703 7.491 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(CN2CCCC(F)(F)C2)cc1)C(=O)[O-] ZINC000226132961 562881020 /nfs/dbraw/zinc/88/10/20/562881020.db2.gz VEAMOSDYVBRZKR-UHFFFAOYSA-N -1 0 598.694 7.096 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccnc2)cc1)C(=O)[O-] ZINC000226137136 562881025 /nfs/dbraw/zinc/88/10/25/562881025.db2.gz GYOKEEWZCVPMSJ-UHFFFAOYSA-N -1 0 542.639 6.927 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(N3CCCC3)c2)CCCC1 ZINC000226123613 562881035 /nfs/dbraw/zinc/88/10/35/562881035.db2.gz NNXJRFSVHUPSBW-UHFFFAOYSA-N -1 0 560.698 7.000 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(F)c2)cc1)C(=O)[O-] ZINC000226124197 562881042 /nfs/dbraw/zinc/88/10/42/562881042.db2.gz DROXDSPXKQXUKE-UHFFFAOYSA-N -1 0 559.641 7.671 1 0 KKAFRM Cn1cc(C(=O)Nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@H]3CC[C@H](C(=O)[O-])CC3)cc2Cl)c2ccccc21 ZINC000253673542 562882722 /nfs/dbraw/zinc/88/27/22/562882722.db2.gz KAWJVPYAZROJRU-CMOCDZPBSA-N -1 0 570.061 5.226 1 0 KKAFRM COCCOc1cc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Cl)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299826323 562883807 /nfs/dbraw/zinc/88/38/07/562883807.db2.gz ZAGVVBQDZWOFKB-SDNWHVSQSA-N -1 0 660.171 6.216 1 0 KKAFRM COc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000299828576 562884495 /nfs/dbraw/zinc/88/44/95/562884495.db2.gz RQZIQKBAAWBJCY-SANMLTNESA-N -1 0 546.674 5.931 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NCC2CCC2)C2CC2)C1=O ZINC000299828546 562884505 /nfs/dbraw/zinc/88/45/05/562884505.db2.gz NOJSWEHJYONNRA-QXMDYEBFSA-N -1 0 607.600 6.030 1 0 KKAFRM CCCCOc1cc(=O)c2c([O-])c(OCCCC)c(-c3ccc(OCCCC)c(OCCCC)c3)oc-2c1 ZINC000299828897 562884653 /nfs/dbraw/zinc/88/46/53/562884653.db2.gz JMSVYVHSWBDXJQ-UHFFFAOYSA-N -1 0 526.670 7.881 1 0 KKAFRM Cc1nnc(CCc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(=O)[O-])c2ccc(C)nc21 ZINC000299831201 562885499 /nfs/dbraw/zinc/88/54/99/562885499.db2.gz YBKQORIHYVWHHC-UHFFFAOYSA-N -1 0 500.002 5.348 1 0 KKAFRM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000299831424 562885553 /nfs/dbraw/zinc/88/55/53/562885553.db2.gz BRNKHWSYACFKQC-OXQOHEQNSA-N -1 0 555.638 6.261 1 0 KKAFRM O=C1CS[C@H](c2cccs2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299831448 562885570 /nfs/dbraw/zinc/88/55/70/562885570.db2.gz PVXMBSAGGKXACH-OAQYLSRUSA-N -1 0 534.519 6.554 1 0 KKAFRM CC(C)c1ncn(CCc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000299832615 562885876 /nfs/dbraw/zinc/88/58/76/562885876.db2.gz JYEQUZYSYZKWNI-MDZDMXLPSA-N -1 0 569.916 8.657 1 0 KKAFRM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000299833858 562886307 /nfs/dbraw/zinc/88/63/07/562886307.db2.gz ADNHGJNYRGURLT-DWCHZDDLSA-N -1 0 820.428 5.377 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2Oc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000299836179 562887024 /nfs/dbraw/zinc/88/70/24/562887024.db2.gz MDZULRZMJFZGKN-UQBPGWFLSA-N -1 0 525.964 5.509 1 0 KKAFRM C[C@]12CC[C@@H]([C@H](CCc3nnn[n-]3)C(=O)OCc3ccccc3)[C@]1(C)CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000299836134 562887028 /nfs/dbraw/zinc/88/70/28/562887028.db2.gz MQGDJJDVPAPPOR-XDPXTERHSA-N -1 0 558.767 6.810 1 0 KKAFRM COc1cc(/C=C/c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)s2)c(Br)c(OC)c1OC ZINC000299838701 562887921 /nfs/dbraw/zinc/88/79/21/562887921.db2.gz NIJZSCLDZCHFIV-BQYQJAHWSA-N -1 0 645.326 5.537 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(=O)[O-])c(O)c2)c(C)c1 ZINC000299838746 562887933 /nfs/dbraw/zinc/88/79/33/562887933.db2.gz QYIFQHSCCQXFPL-UHFFFAOYSA-N -1 0 608.801 6.465 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)OCC(=O)[O-] ZINC000299840760 562888601 /nfs/dbraw/zinc/88/86/01/562888601.db2.gz VYRPRJIJGMXOOL-SDNWHVSQSA-N -1 0 700.192 6.277 1 0 KKAFRM COc1ccc(-c2c(/C=C/C(=O)N3CCN(c4cccc(OC)c4)CC3)noc2-c2cc(Cl)c([O-])cc2O)cc1 ZINC000299841172 562888789 /nfs/dbraw/zinc/88/87/89/562888789.db2.gz YJJKWAZEMDORLO-ZHACJKMWSA-N -1 0 562.022 5.452 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N5CCCC5)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299843836 562889058 /nfs/dbraw/zinc/88/90/58/562889058.db2.gz OFFBKACOAWRZCJ-LKTKBNPGSA-N -1 0 808.922 5.050 1 0 KKAFRM CCOC(=O)c1ccc(NC(=O)CC[C@@H](NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)C(=O)[O-])cc1 ZINC000299847838 562890094 /nfs/dbraw/zinc/89/00/94/562890094.db2.gz GXHGBCQYCGPGDC-VRHGYULKSA-N -1 0 668.872 5.558 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](CCC(=O)Nc1ccccc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848988 562890383 /nfs/dbraw/zinc/89/03/83/562890383.db2.gz YVZZWDGPBJHUST-PBYAILMUSA-N -1 0 596.809 5.382 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2ccc(OCCc3nc(-c4ccccc4)oc3CO)cc2)cc1 ZINC000299854370 562891348 /nfs/dbraw/zinc/89/13/48/562891348.db2.gz XJGZYXFVUXQPSR-FQEVSTJZSA-N -1 0 546.576 5.111 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 ZINC000299855042 562891558 /nfs/dbraw/zinc/89/15/58/562891558.db2.gz CQMKTKJCIXXKCC-GOSISDBHSA-N -1 0 502.517 5.124 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 ZINC000299855044 562891575 /nfs/dbraw/zinc/89/15/75/562891575.db2.gz CQMKTKJCIXXKCC-SFHVURJKSA-N -1 0 502.517 5.124 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299855973 562891802 /nfs/dbraw/zinc/89/18/02/562891802.db2.gz BJOUOXHUBKWXQQ-CCEZHUSRSA-N -1 0 640.716 6.005 1 0 KKAFRM CCCC/C(=C\c1cc(OC/C=C/c2ccccc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299856977 562892033 /nfs/dbraw/zinc/89/20/33/562892033.db2.gz DJWCOLZZSVTCLG-ALAPOLCNSA-N -1 0 510.552 8.035 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299857074 562892081 /nfs/dbraw/zinc/89/20/81/562892081.db2.gz CJCKYZRDBDLOND-NLNUXBGRSA-N -1 0 705.745 7.152 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccc(O)cc5)n(-c5ccc(Cl)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299859434 562892674 /nfs/dbraw/zinc/89/26/74/562892674.db2.gz HXBGZCUBAVAPQH-UHFFFAOYSA-N -1 0 647.132 5.696 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1nc(-c3ccccc3)c(-c3cccc(Cl)c3)cc1=O)C2 ZINC000299859423 562892696 /nfs/dbraw/zinc/89/26/96/562892696.db2.gz XMPQKKXTNQGHJU-IBGZPJMESA-N -1 0 500.982 5.499 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccccc5O)n(-c5ccc(Cl)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299859977 562892853 /nfs/dbraw/zinc/89/28/53/562892853.db2.gz ISCVHDSRMMEDJN-UHFFFAOYSA-N -1 0 647.132 5.696 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cncnc3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299860599 562892994 /nfs/dbraw/zinc/89/29/94/562892994.db2.gz GUXUUJRJMBKTDC-SDNWHVSQSA-N -1 0 608.699 5.476 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(F)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299861050 562893113 /nfs/dbraw/zinc/89/31/13/562893113.db2.gz HOFWSEVNXPHVMC-SFQUDFHCSA-N -1 0 613.690 6.076 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299861273 562893273 /nfs/dbraw/zinc/89/32/73/562893273.db2.gz ICJWLBRVEFLLHS-FOCLMDBBSA-N -1 0 622.726 5.866 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)NC23CCC(C(=O)[O-])(CC2)CC3)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299863688 562893865 /nfs/dbraw/zinc/89/38/65/562893865.db2.gz LKAFLOJDLRJSEW-BTIIEKRBSA-N -1 0 731.783 7.733 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2cnccn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299863858 562893957 /nfs/dbraw/zinc/89/39/57/562893957.db2.gz LSELDDSNXBEHFS-NTCAYCPXSA-N -1 0 596.688 5.332 1 0 KKAFRM CC[C@H](C)[C@H]1O[C@@]2(CCC[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C(\C)c3cc(O)c(C)cc3C(=O)[O-])O2)C[C@H](O)[C@@H]1C ZINC000299868290 562895070 /nfs/dbraw/zinc/89/50/70/562895070.db2.gz ZQCVEFDURQAQLU-XCMLWEBASA-N -1 0 714.937 7.324 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299868490 562895152 /nfs/dbraw/zinc/89/51/52/562895152.db2.gz RMWMMTXRQWGWRT-JLHYYAGUSA-N -1 0 594.672 5.086 1 0 KKAFRM CC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473083127 562896791 /nfs/dbraw/zinc/89/67/91/562896791.db2.gz ATGVOFHOFZKLPD-GDLZYMKVSA-N -1 0 615.652 7.910 1 0 KKAFRM COc1nccc(-c2nn([C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)n1 ZINC000473087568 562897202 /nfs/dbraw/zinc/89/72/02/562897202.db2.gz KRGCJQVFOGAQKA-SFHVURJKSA-N -1 0 605.573 5.881 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090564 562897564 /nfs/dbraw/zinc/89/75/64/562897564.db2.gz WDPNNRCZWVGLPU-SFHVURJKSA-N -1 0 626.006 7.875 1 0 KKAFRM COc1ccc(-c2nn([C@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cn1 ZINC000473090507 562897571 /nfs/dbraw/zinc/89/75/71/562897571.db2.gz WATGTXVHHAETQR-LJQANCHMSA-N -1 0 604.585 6.486 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(SC)cc3)cc21 ZINC000473090716 562897606 /nfs/dbraw/zinc/89/76/06/562897606.db2.gz XEZCMRFFTWSAPK-WJOKGBTCSA-N -1 0 675.773 9.104 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 ZINC000473090719 562897629 /nfs/dbraw/zinc/89/76/29/562897629.db2.gz XFRFVGHDRBIEOP-PMERELPUSA-N -1 0 697.676 9.401 1 0 KKAFRM COc1ccc(C(F)(F)F)cc1-c1nn([C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473091410 562897651 /nfs/dbraw/zinc/89/76/51/562897651.db2.gz XIZYTDLDJKWLOW-NRFANRHFSA-N -1 0 601.625 7.520 1 0 KKAFRM COc1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccccc3C)cc2)cc1 ZINC000473119884 562899328 /nfs/dbraw/zinc/89/93/28/562899328.db2.gz NFJJWUJVRUZQDJ-SSEXGKCCSA-N -1 0 608.676 5.976 1 0 KKAFRM C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC=C1C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](OC(=O)CCc5ccc(O)cc5)[C@]4(C)C(=O)[O-])[C@H]3CC[C@@H]12 ZINC000473128322 562899918 /nfs/dbraw/zinc/89/99/18/562899918.db2.gz ZBQYGDWMJWSCCD-JIJPZTSSSA-N -1 0 636.870 7.066 1 0 KKAFRM O=C(c1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)c(Br)cc3F)c2)s1)c1cccc(O)c1 ZINC000473147438 562901413 /nfs/dbraw/zinc/90/14/13/562901413.db2.gz FCHCXGVIILLVME-UHFFFAOYSA-N -1 0 550.402 6.193 1 0 KKAFRM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000473165323 562902935 /nfs/dbraw/zinc/90/29/35/562902935.db2.gz XPMNOLGQYXKBRX-UHFFFAOYSA-N -1 0 507.421 6.273 1 0 KKAFRM Cc1cc2ccccc2nc1N(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473200976 562903783 /nfs/dbraw/zinc/90/37/83/562903783.db2.gz MVBMUHWKVNLYIZ-UHFFFAOYSA-N -1 0 516.497 5.536 1 0 KKAFRM COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000584904783 562905838 /nfs/dbraw/zinc/90/58/38/562905838.db2.gz HVSNNDISDMAIJE-XEAFTEEUSA-N -1 0 746.898 6.728 1 0 in-vitro KKAFRM O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000653668921 562906096 /nfs/dbraw/zinc/90/60/96/562906096.db2.gz LAYRFABAFXXPJI-UHFFFAOYSA-N -1 0 538.469 7.106 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000653682397 562906413 /nfs/dbraw/zinc/90/64/13/562906413.db2.gz PEWBRCLRUHYJSB-UHFFFAOYSA-N -1 0 585.103 5.348 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(OCCCCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653691249 562906729 /nfs/dbraw/zinc/90/67/29/562906729.db2.gz PDTFVEVNPHTRLA-LDNVYYCDSA-N -1 0 648.749 7.671 1 0 KKAFRM CCCCCOc1cc(=O)c2c([O-])c(OCCCCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653691275 562906789 /nfs/dbraw/zinc/90/67/89/562906789.db2.gz WCJSOTNEVAXCRM-LXANVCGNSA-N -1 0 620.695 6.891 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4nc5ccccc5n4Cc4cccc(Cl)c4)CC3)c(F)cc2c1=O ZINC000653694195 562906930 /nfs/dbraw/zinc/90/69/30/562906930.db2.gz KNQXMCJCCOSSST-UHFFFAOYSA-N -1 0 586.067 5.547 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4Cl)CC3)c(F)cc2c1=O ZINC000653700690 562907327 /nfs/dbraw/zinc/90/73/27/562907327.db2.gz DLQYQGDWTQGOSE-UHFFFAOYSA-N -1 0 620.512 6.201 1 0 KKAFRM COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc2c1)C(C)C ZINC000653713265 562908267 /nfs/dbraw/zinc/90/82/67/562908267.db2.gz QPJMFFJAOOEBCL-WTMVGVENSA-N -1 0 539.477 5.224 1 0 KKAFRM CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)[O-])[C@@]2(C)CCC3=C([C@H](O)C[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000653726504 562909142 /nfs/dbraw/zinc/90/91/42/562909142.db2.gz DIXZQXARJMRUPX-YIRQFRRGSA-N -1 0 572.783 6.627 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3ccnc(N(C)CCc4ccccc4)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653727781 562909212 /nfs/dbraw/zinc/90/92/12/562909212.db2.gz BDFSISDMEYIABU-UHFFFAOYSA-N -1 0 773.787 8.313 1 0 KKAFRM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(Cn3ccnc3)c2)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653748739 562910557 /nfs/dbraw/zinc/91/05/57/562910557.db2.gz QOMNQNPATGBGFV-UHFFFAOYSA-N -1 0 560.441 6.262 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2nc(Cl)nc3[nH]ccc32)cc1 ZINC000653755656 562910907 /nfs/dbraw/zinc/91/09/07/562910907.db2.gz KQSLNILVWIYGNY-UHFFFAOYSA-N -1 0 511.390 6.251 1 0 KKAFRM CCCc1nc2c(cc(C(=O)N[C@@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653763547 562911520 /nfs/dbraw/zinc/91/15/20/562911520.db2.gz NGPSRLHASDZZFZ-PMERELPUSA-N -1 0 561.682 6.828 1 0 KKAFRM CC(=O)n1cc([C@H]2CCC[C@@H](c3cn(C(=O)[O-])c4ccccc34)c3[nH]c4ccccc4c32)c2ccccc21 ZINC000653785980 562912378 /nfs/dbraw/zinc/91/23/78/562912378.db2.gz DJKVAVBPZJTGCN-PKTZIBPZSA-N -1 0 501.586 7.711 1 0 KKAFRM O=C([O-])CN(Cc1cccc(-c2ccccc2OC(F)(F)F)c1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000653795294 562913025 /nfs/dbraw/zinc/91/30/25/562913025.db2.gz UJIVGLYKHVAGFS-UHFFFAOYSA-N -1 0 531.455 5.129 1 0 KKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000653812629 562913869 /nfs/dbraw/zinc/91/38/69/562913869.db2.gz JMUFNCJAXSBRSD-IBYINHFXSA-N -1 0 562.840 8.197 1 0 KKAFRM CO[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000653813288 562913942 /nfs/dbraw/zinc/91/39/42/562913942.db2.gz FOOIUOKCYUZPDW-YBAOVTMCSA-N -1 0 558.719 6.068 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2cc(OCc3nc(-c4ccc(Cl)cc4)oc3C)ccc2F)cc1 ZINC000653819589 562914052 /nfs/dbraw/zinc/91/40/52/562914052.db2.gz FQXZXTFBYWVCIY-UHFFFAOYSA-N -1 0 554.958 6.116 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1=O ZINC000653844326 562915065 /nfs/dbraw/zinc/91/50/65/562915065.db2.gz TVEIOWBJBGPWBO-UHFFFAOYSA-N -1 0 739.217 6.106 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2ccccc2c1 ZINC000653844337 562915073 /nfs/dbraw/zinc/91/50/73/562915073.db2.gz YMNCWHKTWVPHSL-GDLZYMKVSA-N -1 0 570.476 7.417 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)N[C@@H](CC(=O)[O-])c4ccccc4)cc3)ccc2c1 ZINC000653848742 562915369 /nfs/dbraw/zinc/91/53/69/562915369.db2.gz NZPVPVNZOQBYCQ-HUBRWUETSA-N -1 0 664.589 9.241 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)N4CCC(C(=O)[O-])CC4)cc3)ccc2c1 ZINC000653853901 562915659 /nfs/dbraw/zinc/91/56/59/562915659.db2.gz FIOKTUGQMYAXOR-NRFANRHFSA-N -1 0 628.556 8.232 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCC(C)(C)C(=O)[O-])CC1 ZINC000653867744 562916281 /nfs/dbraw/zinc/91/62/81/562916281.db2.gz IPXZQUSCWHBNDA-UYHPJTEGSA-N -1 0 784.820 7.632 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4OCc4ccccc4)ccc3O[C@@H]2CO)ccc1O ZINC000653882179 562916826 /nfs/dbraw/zinc/91/68/26/562916826.db2.gz XIHVOTSIELYODN-OFSOJUDTSA-N -1 0 570.550 5.038 1 0 KKAFRM CCCCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653913912 562917778 /nfs/dbraw/zinc/91/77/78/562917778.db2.gz ROLOWKRPKAOJLQ-GGXMVOPNSA-N -1 0 564.587 5.418 1 0 KKAFRM CCCCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653913914 562917791 /nfs/dbraw/zinc/91/77/91/562917791.db2.gz ROLOWKRPKAOJLQ-UHSQPCAPSA-N -1 0 564.587 5.418 1 0 KKAFRM Cc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc2c(ccn2-c2ccccc2C(=O)[O-])c1 ZINC000653918554 562917950 /nfs/dbraw/zinc/91/79/50/562917950.db2.gz WDTZWGUBKHWKOX-UHFFFAOYSA-N -1 0 525.612 6.897 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095910213 565176794 /nfs/dbraw/zinc/17/67/94/565176794.db2.gz PSKOYUFGDWKJBO-OCXIHFKWSA-N -1 0 602.856 9.204 1 0 biogenic,in-vitro KKAFRM COc1cc(/C=C\C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)ccc1O ZINC000095915073 565187658 /nfs/dbraw/zinc/18/76/58/565187658.db2.gz COZSPNKIIUVCFK-FMSBFOLQSA-N -1 0 632.882 9.212 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1CC=C2CC[C@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CCC[C@H](O)C3)[C@@H](CCCCCC[C@@H]1C=C(CO)CC1)C2 ZINC000103576063 565197834 /nfs/dbraw/zinc/19/78/34/565197834.db2.gz CXTOCESBNSKCMD-XREYCCEESA-N -1 0 626.878 8.546 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777789 571825717 /nfs/dbraw/zinc/82/57/17/571825717.db2.gz KWLOAKAXMOYBRK-GEKNLNBXSA-N -1 0 618.855 8.174 1 0 endogenous,in-man KKAFRM COC(=O)[C@@]1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777894 571826057 /nfs/dbraw/zinc/82/60/57/571826057.db2.gz 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YXRLENJRMMVUDH-DPZBCOQUSA-N -1 0 588.667 6.453 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2ccccc2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000034026576 551090572 /nfs/dbraw/zinc/09/05/72/551090572.db2.gz ZXQXWCSWONAZDK-HHHXNRCGSA-N -1 0 513.594 5.058 1 0 KKAFRM CCCCc1nc(-c2ccccc2)c(C(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001533780 561676625 /nfs/dbraw/zinc/67/66/25/561676625.db2.gz HYYDZGNGUBVVCC-UHFFFAOYSA-N -1 0 510.590 5.843 1 0 KKAFRM COc1cc2c(cc1OC)n(Cc1ccc3c(c1)OCO3)c(C(=O)[O-])c2Sc1cc(OC)c(OC)c(OC)c1 ZINC000001542797 561677147 /nfs/dbraw/zinc/67/71/47/561677147.db2.gz GMNFTSXERCOCMB-UHFFFAOYSA-N -1 0 553.589 5.311 1 0 KKAFRM O=C(Nc1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1cc(Cl)cc(Br)c1[O-] ZINC000001920046 561680277 /nfs/dbraw/zinc/68/02/77/561680277.db2.gz YOLBUKIMKCWMFK-UHFFFAOYSA-N -1 0 535.630 6.200 1 0 KKAFRM CCCCc1nc(Cl)c(CO)n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C(=O)[O-])cc1 ZINC000003915485 561684783 /nfs/dbraw/zinc/68/47/83/561684783.db2.gz PPIUOEJRHBUSRA-DEOSSOPVSA-N 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ZINC000002008091 561680540 /nfs/dbraw/zinc/68/05/40/561680540.db2.gz IEIZBRGUHHPABP-UHFFFAOYSA-N -1 0 592.694 7.998 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H](C(=O)[O-])C3)ncn2)cc1C(F)(F)F ZINC000003965940 561691559 /nfs/dbraw/zinc/69/15/59/561691559.db2.gz MPHIYSGHFVGRGH-GOSISDBHSA-N -1 0 501.574 6.738 1 0 KKAFRM COc1ccc(OC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000003990330 561693382 /nfs/dbraw/zinc/69/33/82/561693382.db2.gz OWBQRSFTGMYFME-NSOVKSMOSA-N -1 0 542.588 6.069 1 0 KKAFRM COC[C@H](C)Cc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-] ZINC000003994234 561693699 /nfs/dbraw/zinc/69/36/99/561693699.db2.gz HWNXCQQEFQWPHX-XCQIGJQCSA-N -1 0 532.637 5.442 1 0 KKAFRM C[C@@H](Cc1ccc(C(=O)[O-])cc1)NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000005493928 561696043 /nfs/dbraw/zinc/69/60/43/561696043.db2.gz ARZCDLUKHHSKGP-FQEVSTJZSA-N -1 0 526.614 5.575 1 0 KKAFRM 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CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1cccc(OC(C)(C)C(=O)[O-])c1 ZINC000012358254 561710393 /nfs/dbraw/zinc/71/03/93/561710393.db2.gz CNAGWDCLNROSMI-UHFFFAOYSA-N -1 0 503.595 6.927 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358523 561710568 /nfs/dbraw/zinc/71/05/68/561710568.db2.gz BWQAEQBADOVIBT-UMSFTDKQSA-N -1 0 533.624 7.403 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccc(OC)cc1OC)O2 ZINC000013473415 561714383 /nfs/dbraw/zinc/71/43/83/561714383.db2.gz GXNMJPVIBJZOLD-NDEPHWFRSA-N -1 0 504.535 5.632 1 0 KKAFRM CC/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(CC(C)C)CC(C)C)c1 ZINC000013760644 561727705 /nfs/dbraw/zinc/72/77/05/561727705.db2.gz VOSCTQFUSMMLAP-DARPEHSRSA-N -1 0 518.698 7.950 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)c2ccccc2)c1C ZINC000013492875 561716517 /nfs/dbraw/zinc/71/65/17/561716517.db2.gz HKMVKDPUVNFFAO-UHFFFAOYSA-N -1 0 514.607 6.051 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccc(-c2nccs2)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000013494011 561716795 /nfs/dbraw/zinc/71/67/95/561716795.db2.gz SQXQXPOVONSJCL-QHCPKHFHSA-N -1 0 511.430 6.455 1 0 KKAFRM CN(C)c1ccc2c(c1)oc1ccc(S(=O)(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C/C=C\CCCC(=O)[O-])cc12 ZINC000013521317 561717064 /nfs/dbraw/zinc/71/70/64/561717064.db2.gz PYDXZGGEERSEEQ-LUWNPAHKSA-N -1 0 510.656 5.546 1 0 KKAFRM CN(C)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761668 561727963 /nfs/dbraw/zinc/72/79/63/561727963.db2.gz FKUHCZHJZWOCRL-SANMLTNESA-N -1 0 522.667 5.413 1 0 KKAFRM C/C(=C\C[C@@H]1OC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1 ZINC000013558115 561719062 /nfs/dbraw/zinc/71/90/62/561719062.db2.gz RTYQRACVLWMXIE-LDEBPVJWSA-N -1 0 502.445 5.556 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCC[C@H](C)CCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677978 561724296 /nfs/dbraw/zinc/72/42/96/561724296.db2.gz OZQNBEMTLPTJIG-QGZVFWFLSA-N -1 0 518.532 6.713 1 0 KKAFRM Cc1c(CCOc2ccc(C(=O)[O-])c(F)c2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678414 561724373 /nfs/dbraw/zinc/72/43/73/561724373.db2.gz SFKYNISBCJFHBK-UHFFFAOYSA-N -1 0 513.996 7.700 1 0 KKAFRM CCN(CCc1ccc(/C(=C\CCCC(=O)[O-])c2cccnc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013733205 561725405 /nfs/dbraw/zinc/72/54/05/561725405.db2.gz WICGPTMBFXQNBE-IOXBOXJCSA-N -1 0 513.059 5.675 1 0 KKAFRM CCCC[C@@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742360 561726233 /nfs/dbraw/zinc/72/62/33/561726233.db2.gz ZGTQUBJSTZUONR-VVSZESPCSA-N -1 0 524.661 7.707 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C ZINC000013747570 561727082 /nfs/dbraw/zinc/72/70/82/561727082.db2.gz XHUPSFNBCGDXBC-UHFFFAOYSA-N -1 0 545.786 8.238 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCOC3CCCCC3)co2)cc1)c1cccnc1 ZINC000013782523 561729711 /nfs/dbraw/zinc/72/97/11/561729711.db2.gz WHLKEJMJCAGFRW-KKMKTNMSSA-N -1 0 531.653 6.283 1 0 KKAFRM COc1ccc(COC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000013799594 561730412 /nfs/dbraw/zinc/73/04/12/561730412.db2.gz SBPQWNOPLSRSMS-HHHXNRCGSA-N -1 0 514.578 5.103 1 0 KKAFRM C[C@@H](C(=O)Nc1ccc(CCCC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804796 561731374 /nfs/dbraw/zinc/73/13/74/561731374.db2.gz MGNXCJNHCOCHIW-JOCHJYFZSA-N -1 0 518.613 7.117 1 0 KKAFRM CCCCc1nnc(SCc2ccc(C)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825629 561732994 /nfs/dbraw/zinc/73/29/94/561732994.db2.gz RFACWBUFYPZDDQ-UHFFFAOYSA-N -1 0 514.651 6.220 1 0 KKAFRM CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013832662 561733487 /nfs/dbraw/zinc/73/34/87/561733487.db2.gz YDZQIBDFRLGABK-UHFFFAOYSA-N -1 0 504.974 5.029 1 0 KKAFRM Nc1cccc([S@@](=O)Cc2ccc(OCCCCCCCCc3ccc(F)cc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000013833527 561733829 /nfs/dbraw/zinc/73/38/29/561733829.db2.gz LCWVJORRLCOLKR-UWHFFNJJSA-N -1 0 524.658 6.171 1 0 KKAFRM CCCCc1nn(CCc2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833919 561733920 /nfs/dbraw/zinc/73/39/20/561733920.db2.gz HHQCMWCTGPHEII-UHFFFAOYSA-N -1 0 506.610 5.605 1 0 KKAFRM Cc1cc(-c2nc(C(C)C)n(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc(C)c1Cl ZINC000013833964 561733987 /nfs/dbraw/zinc/73/39/87/561733987.db2.gz JHWFCZWVPHDZDN-CXNSYNGHSA-N -1 0 500.998 5.807 1 0 KKAFRM CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833914 561734000 /nfs/dbraw/zinc/73/40/00/561734000.db2.gz LZQOWRPYDRAPCE-UHFFFAOYSA-N -1 0 508.582 5.360 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@@H](Cc1cccc3ccccc31)CCC2 ZINC000013834015 561734084 /nfs/dbraw/zinc/73/40/84/561734084.db2.gz OMVGOHWOVIXDSC-DNYIEUBBSA-N -1 0 514.597 5.427 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccccc1C ZINC000013834055 561734093 /nfs/dbraw/zinc/73/40/93/561734093.db2.gz ITKQYYFEYRLELL-PMERELPUSA-N -1 0 513.682 7.077 1 0 KKAFRM CCOC(=O)[C@H](Cc1cccc(OCC(=O)[O-])c1OC)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834136 561734095 /nfs/dbraw/zinc/73/40/95/561734095.db2.gz YTBPUQUNWZKUGF-JOCHJYFZSA-N -1 0 501.535 5.370 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O ZINC000014114134 561736704 /nfs/dbraw/zinc/73/67/04/561736704.db2.gz HIFZHAYMNQEZKV-JSUHJOOESA-N -1 0 648.881 8.185 1 0 KKAFRM CCc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000014141642 561737062 /nfs/dbraw/zinc/73/70/62/561737062.db2.gz JUYLDRDBPRKGGI-DEOSSOPVSA-N -1 0 598.571 7.649 1 0 KKAFRM CC[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000014276225 561738848 /nfs/dbraw/zinc/73/88/48/561738848.db2.gz JCBSPQXPBDDSEZ-UDNBHOFDSA-N -1 0 627.206 8.443 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[N-]S(C)(=O)=O)c1ccc2c(c1)OCO2 ZINC000014285474 561738969 /nfs/dbraw/zinc/73/89/69/561738969.db2.gz BZNIKCMSWPBYNN-WJOKGBTCSA-N -1 0 620.772 5.488 1 0 KKAFRM CCCc1c(OCCCOc2ccc([C@H](CCCc3ccccc3)SCCC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000014294186 561739326 /nfs/dbraw/zinc/73/93/26/561739326.db2.gz PJIRMAZBXQLONL-HKBQPEDESA-N -1 0 564.744 7.667 1 0 KKAFRM C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)[O-])C(=O)C(C)(C)[C@@H]1CC3 ZINC000014299783 561739501 /nfs/dbraw/zinc/73/95/01/561739501.db2.gz FNHDSKHVYPYDAZ-QXHKCBNXSA-N -1 0 618.852 5.990 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955270 561747380 /nfs/dbraw/zinc/74/73/80/561747380.db2.gz FHGPNSZZDVEKMB-RBBKRZOGSA-N -1 0 571.606 6.318 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1NC(C)=O ZINC000014963282 561748995 /nfs/dbraw/zinc/74/89/95/561748995.db2.gz YEJVFAXMJIJZFP-UHFFFAOYSA-N -1 0 554.603 5.192 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(F)cccc3F)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963442 561749044 /nfs/dbraw/zinc/74/90/44/561749044.db2.gz JFYFASKMSZLLPS-OAQYLSRUSA-N -1 0 501.316 5.913 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)cc1Cl ZINC000014963340 561749046 /nfs/dbraw/zinc/74/90/46/561749046.db2.gz PUJRKGKDIKCRSV-FQEVSTJZSA-N -1 0 530.024 6.748 1 0 KKAFRM COc1ccc2ccccc2c1-c1ccc2cc(C[C@@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2n1 ZINC000014963499 561749076 /nfs/dbraw/zinc/74/90/76/561749076.db2.gz POYXPYSTVWGLAA-RUZDIDTESA-N -1 0 545.422 6.796 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Cl)c(Br)c2)cc1 ZINC000014966059 561749869 /nfs/dbraw/zinc/74/98/69/561749869.db2.gz DJDNQYHILBKCSK-OALUTQOASA-N -1 0 604.860 6.005 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCCCc3ccccc3)c2)c(Br)c1 ZINC000014969323 561750592 /nfs/dbraw/zinc/75/05/92/561750592.db2.gz XYJAEXLTNMFZDJ-UHFFFAOYSA-N -1 0 563.242 5.699 1 0 KKAFRM O=C([O-])Cc1ccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972484 561751453 /nfs/dbraw/zinc/75/14/53/561751453.db2.gz YAKODSHNCZYDPB-UHFFFAOYSA-N -1 0 541.525 7.358 1 0 KKAFRM O=C([O-])c1ccc(COc2ccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)cc2)cc1 ZINC000014972480 561751509 /nfs/dbraw/zinc/75/15/09/561751509.db2.gz PNGPMNXTYUTTTK-UHFFFAOYSA-N -1 0 527.498 7.429 1 0 KKAFRM CC(C)(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000014976983 561752290 /nfs/dbraw/zinc/75/22/90/561752290.db2.gz IFMOAZDMPOYCDF-ZHACJKMWSA-N -1 0 556.873 9.047 1 0 KKAFRM CCCN(C(=O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl)c1cccc(C(=O)[O-])c1 ZINC000014976980 561752292 /nfs/dbraw/zinc/75/22/92/561752292.db2.gz OXSYMQGQTUQXLF-UHFFFAOYSA-N -1 0 601.914 8.759 1 0 KKAFRM CCOc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])c(OC)c2)sc1CC ZINC000014977219 561752324 /nfs/dbraw/zinc/75/23/24/561752324.db2.gz RJIACDQCZJMWDM-IBGZPJMESA-N -1 0 511.640 6.132 1 0 KKAFRM COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCn2c3ccc(C(=O)[O-])cc3nc2-c2ccc(N)cc2)cc1 ZINC000017546092 561756249 /nfs/dbraw/zinc/75/62/49/561756249.db2.gz UZJIHJVFOHDZRP-UHFFFAOYSA-N -1 0 585.586 7.118 3 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)[n-]c2=O)c2ccc(F)cc2)c1 ZINC000025967791 561763125 /nfs/dbraw/zinc/76/31/25/561763125.db2.gz QEBGHDQZHNGVNR-ZMOGYAJESA-N -1 0 567.495 5.962 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988761 561764420 /nfs/dbraw/zinc/76/44/20/561764420.db2.gz MGIJXUJXJHNWQP-OZNIXHKMSA-N -1 0 565.755 5.162 1 0 KKAFRM COc1ccc(-c2cccc3c(O)c(C(=O)Nc4ccc(OCCCCCCCC(=O)[O-])cc4)c(O)nc23)cc1 ZINC000026005368 561765530 /nfs/dbraw/zinc/76/55/30/561765530.db2.gz HGXVBQRDLSOHOW-UHFFFAOYSA-N -1 0 544.604 5.966 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3cccnc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026012382 561765969 /nfs/dbraw/zinc/76/59/69/561765969.db2.gz CXZANANUPGZRRJ-MHZLTWQESA-N -1 0 530.646 5.970 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000026163232 561768786 /nfs/dbraw/zinc/76/87/86/561768786.db2.gz JABCDTCHIXBREY-SANMLTNESA-N -1 0 507.675 5.218 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026172806 561770303 /nfs/dbraw/zinc/77/03/03/561770303.db2.gz OIKPHPKYVGTXMU-WJOKGBTCSA-N -1 0 548.683 6.821 1 0 KKAFRM CCc1nc(C)c(C(=O)N(C)C)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026174726 561770628 /nfs/dbraw/zinc/77/06/28/561770628.db2.gz JLERQHNSCLOZAG-UHFFFAOYSA-N -1 0 613.456 5.941 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)Nc1ccccn1 ZINC000026294287 561781189 /nfs/dbraw/zinc/78/11/89/561781189.db2.gz NNLKMQXTQXTMET-UHFFFAOYSA-N -1 0 607.689 5.707 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\NC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026284408 561779525 /nfs/dbraw/zinc/77/95/25/561779525.db2.gz PXXGDOQUYVWXOA-KROMJTRWSA-N -1 0 574.850 8.595 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C(C)C)nc1OCCOC(=O)Nc1ccccn1 ZINC000026289754 561780348 /nfs/dbraw/zinc/78/03/48/561780348.db2.gz PWHUJWODHSRAIM-UHFFFAOYSA-N -1 0 635.743 6.522 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCSCC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026291435 561780576 /nfs/dbraw/zinc/78/05/76/561780576.db2.gz FCGUSVKFZTVUQB-UHFFFAOYSA-N -1 0 681.797 5.172 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C(C)(C)C)nc1OCCOC(=O)Nc1ccccn1 ZINC000026291122 561780595 /nfs/dbraw/zinc/78/05/95/561780595.db2.gz XPOWMKNHKCJZNA-UHFFFAOYSA-N -1 0 649.770 6.696 1 0 KKAFRM CCCc1nc(CN(Cc2ccccc2)C(=O)Nc2ccccc2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026379445 561783159 /nfs/dbraw/zinc/78/31/59/561783159.db2.gz PGFOMEGDVXUBCE-UHFFFAOYSA-N -1 0 626.721 6.664 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026392474 561786128 /nfs/dbraw/zinc/78/61/28/561786128.db2.gz UDDCVNQAOBQZEZ-SUYKCVEVSA-N -1 0 648.643 5.105 1 0 KKAFRM CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(ccc(OC(C)C)c2C(=O)[O-])[n+]1[O-] ZINC000026394082 561786437 /nfs/dbraw/zinc/78/64/37/561786437.db2.gz HSPBNCZEIUMHIB-UHFFFAOYSA-N -1 0 540.580 5.336 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1cccc(C)c1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026396576 561787134 /nfs/dbraw/zinc/78/71/34/561787134.db2.gz JJTWKBAUPPWAGL-LOYHVIPDSA-N -1 0 562.691 5.882 1 0 KKAFRM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC(CC)CC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026400400 561788184 /nfs/dbraw/zinc/78/81/84/561788184.db2.gz WVGSXUNLHNNCAH-HXUWFJFHSA-N -1 0 598.660 6.175 1 0 KKAFRM CC(C)(C)Sc1c(CC(C)(C)C(=O)[O-])n(Cc2ccc(Cl)cc2)c2cccc(OCc3ccc4ccccc4n3)c21 ZINC000026404625 561789714 /nfs/dbraw/zinc/78/97/14/561789714.db2.gz HHDAECQCXGOXFS-UHFFFAOYSA-N -1 0 587.185 9.014 1 0 KKAFRM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000026471420 561790551 /nfs/dbraw/zinc/79/05/51/561790551.db2.gz KOZDYEZZZJTMAM-DNQXCXABSA-N -1 0 547.460 5.146 1 0 KKAFRM CC(C)(C)Sc1c2cc(COCc3ccc4ccccc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026477049 561791179 /nfs/dbraw/zinc/79/11/79/561791179.db2.gz AJCJJFAHBCPZIB-UHFFFAOYSA-N -1 0 601.212 9.152 1 0 KKAFRM C[C@@H](Oc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000026481724 561791897 /nfs/dbraw/zinc/79/18/97/561791897.db2.gz QNXSCUVJFCVBHE-JOCHJYFZSA-N -1 0 601.212 9.575 1 0 KKAFRM COc1c(F)cccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026483568 561792136 /nfs/dbraw/zinc/79/21/36/561792136.db2.gz CACJFHHWFWHQMP-RPWUZVMVSA-N -1 0 595.476 5.293 1 0 KKAFRM COc1c(F)cccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026489880 561793044 /nfs/dbraw/zinc/79/30/44/561793044.db2.gz UJMLTTQASHTOKU-YWEHKCAJSA-N -1 0 609.503 5.684 1 0 KKAFRM COc1cccc(O)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026491498 561793406 /nfs/dbraw/zinc/79/34/06/561793406.db2.gz OSOIKTZUYYMEIH-DFHRPNOPSA-N -1 0 607.512 5.250 1 0 KKAFRM CC(C)(C)C(=O)NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026504348 561796250 /nfs/dbraw/zinc/79/62/50/561796250.db2.gz MMUKITGTIBVSEA-QFIPXVFZSA-N -1 0 576.521 5.470 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)N[C@]1(C(=O)[O-])C[C@H]1CCc1ccccc1)C(C)C)C1CCCCC1 ZINC000026505601 561796536 /nfs/dbraw/zinc/79/65/36/561796536.db2.gz XDWGZVDSYHJFCX-CTVDMPQUSA-N -1 0 738.926 5.144 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507713 561796816 /nfs/dbraw/zinc/79/68/16/561796816.db2.gz OFNKSFVKBAHXFD-KYJUHHDHSA-N -1 0 588.745 7.263 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026568516 561797555 /nfs/dbraw/zinc/79/75/55/561797555.db2.gz XBIMURZUBIFAHS-UHFFFAOYSA-N -1 0 738.897 11.099 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)[C@@H](O)CCC(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026570334 561798002 /nfs/dbraw/zinc/79/80/02/561798002.db2.gz MIHIPMCGYMICRG-MHZLTWQESA-N -1 0 646.956 9.334 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4NC(=O)c4ccccc4C(=O)[O-])cc3)sc2c1 ZINC000026570596 561798053 /nfs/dbraw/zinc/79/80/53/561798053.db2.gz OAGTWCKKLBQYGN-UHFFFAOYSA-N -1 0 604.109 7.702 1 0 KKAFRM O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1 ZINC000026573910 561798739 /nfs/dbraw/zinc/79/87/39/561798739.db2.gz XQWAYNIFJGEXDK-UHFFFAOYSA-N -1 0 515.780 6.576 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCCCCO[P@](=O)([O-])Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000026575190 561799010 /nfs/dbraw/zinc/79/90/10/561799010.db2.gz CBQAXGJNHNBSFP-UHFFFAOYSA-N -1 0 636.129 8.063 1 0 KKAFRM C[C@@H](NC(=O)Cc1ccccc1OCc1ccccc1)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000026574981 561799049 /nfs/dbraw/zinc/79/90/49/561799049.db2.gz YLANRVXNZJNPMK-WVXBCFDCSA-N -1 0 553.680 5.936 1 0 KKAFRM O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)P(=O)([O-])[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000026576357 561800174 /nfs/dbraw/zinc/80/01/74/561800174.db2.gz VDKNGIRBKVESJN-KYJUHHDHSA-N -1 0 510.574 6.532 1 0 KKAFRM [NH3+][C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000026576754 561800556 /nfs/dbraw/zinc/80/05/56/561800556.db2.gz JMDWSQUVOGWZSU-PQHLKRTFSA-N -1 0 707.205 6.254 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2cc(CCCC(=O)[O-])on2)cc1 ZINC000026578307 561803157 /nfs/dbraw/zinc/80/31/57/561803157.db2.gz MTTJAKXIRMNNOV-DEOSSOPVSA-N -1 0 506.603 5.480 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H](C(=O)N[C@H](CC(F)F)C(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000026658177 561809802 /nfs/dbraw/zinc/80/98/02/561809802.db2.gz GMAGXLXHYHPQGA-QJUVTUJLSA-N -1 0 698.764 5.423 1 0 KKAFRM CCCCc1cccc([C@]2([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC(=O)N(Cc3ccc(OC)cc3)c3ccccc32)c1 ZINC000026658714 561809932 /nfs/dbraw/zinc/80/99/32/561809932.db2.gz MAJFWFWHJWCHLH-LDNVYYCDSA-N -1 0 594.712 5.357 1 0 KKAFRM CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026661600 561810367 /nfs/dbraw/zinc/81/03/67/561810367.db2.gz ARZDRYRJWHQZNJ-UHFFFAOYSA-N -1 0 547.446 6.658 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cc2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667706 561811519 /nfs/dbraw/zinc/81/15/19/561811519.db2.gz KYKKJLOEMLBQSE-HSZRJFAPSA-N -1 0 596.192 9.279 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026670406 561812151 /nfs/dbraw/zinc/81/21/51/561812151.db2.gz NCCODGOBVZOLFU-LWWJQMQXSA-N -1 0 557.691 5.176 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(C)cc2)c2ccc(C)cc2)c1 ZINC000026722555 561815432 /nfs/dbraw/zinc/81/54/32/561815432.db2.gz VWTZMKBPAIVNSX-SLEBQGDGSA-N -1 0 572.705 8.181 1 0 KKAFRM CCC[C@H](COc1ccccc1Oc1ccccc1C(=O)[O-])Cc1cc(O)c(-c2ccc(F)cc2)cc1CC ZINC000026726943 561816046 /nfs/dbraw/zinc/81/60/46/561816046.db2.gz BQNQOMRESIJCJF-QFIPXVFZSA-N -1 0 528.620 8.289 1 0 KKAFRM C[C@](Cc1ccc2ccccc2c1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026734170 561817049 /nfs/dbraw/zinc/81/70/49/561817049.db2.gz BCUOSLLHFNEMGW-PEAFMMANSA-N -1 0 568.714 5.848 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2C)c2ccccc2C)c1 ZINC000026734408 561817154 /nfs/dbraw/zinc/81/71/54/561817154.db2.gz KKWMRKROJRCRIF-SLEBQGDGSA-N -1 0 572.705 8.181 1 0 KKAFRM CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)cc1)[C@@H](C)CC ZINC000026740021 561818036 /nfs/dbraw/zinc/81/80/36/561818036.db2.gz ZJHMLSNKVGQEQU-BPEUDQIESA-N -1 0 696.886 5.051 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000026747375 561818977 /nfs/dbraw/zinc/81/89/77/561818977.db2.gz VQWSITRBHPOQTC-WOJBJXKFSA-N -1 0 511.348 5.417 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1[C@H](CCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000026749149 561819394 /nfs/dbraw/zinc/81/93/94/561819394.db2.gz ZAZHQOBUAOBXJC-FUPPJEDESA-N -1 0 555.401 5.838 1 0 KKAFRM C[C@H](NC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccncc1)C(=O)[O-])[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026820914 561821087 /nfs/dbraw/zinc/82/10/87/561821087.db2.gz PKCHMFXWHUVQBN-MXKMAVLVSA-N -1 0 639.878 7.068 1 0 KKAFRM O=C([O-])CNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000026840664 561825695 /nfs/dbraw/zinc/82/56/95/561825695.db2.gz JYKTYQLAXRWNPF-QNGWXLTQSA-N -1 0 599.687 6.106 1 0 KKAFRM CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)cc2c1 ZINC000026840809 561825708 /nfs/dbraw/zinc/82/57/08/561825708.db2.gz ZLNSZSIAOGYNKX-UHFFFAOYSA-N -1 0 532.544 5.145 1 0 KKAFRM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000026850186 561827103 /nfs/dbraw/zinc/82/71/03/561827103.db2.gz NDHJVWMMRYNVOM-OIFRRMEBSA-N -1 0 603.712 5.959 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(F)cc6F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026936969 561827663 /nfs/dbraw/zinc/82/76/63/561827663.db2.gz JKZUFUIMURWCGI-NQGWPUHRSA-N -1 0 598.815 9.312 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000026974010 561830649 /nfs/dbraw/zinc/83/06/49/561830649.db2.gz PDLRMEVVAPMLSR-NEEKEDPPSA-N -1 0 531.674 6.248 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCC(=O)NCCc1ccccc1)C(=O)Nc1ccccc1 ZINC000026976600 561830940 /nfs/dbraw/zinc/83/09/40/561830940.db2.gz XPMZVZSLPMEDJA-VEEOACQBSA-N -1 0 605.716 5.424 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026980529 561831262 /nfs/dbraw/zinc/83/12/62/561831262.db2.gz PFSGUWVRLIHGSM-UHFFFAOYSA-N -1 0 508.461 5.808 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)c3cccc(N)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026988497 561832304 /nfs/dbraw/zinc/83/23/04/561832304.db2.gz OHIIGKUFQDJTFN-HTXNQAPBSA-N -1 0 552.693 5.706 1 0 KKAFRM CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(OCc3ccccc3C(=O)[O-])ccc21 ZINC000026994695 561833053 /nfs/dbraw/zinc/83/30/53/561833053.db2.gz FTTZKWFSFPMEDF-MFKUBSTISA-N -1 0 527.661 7.172 1 0 KKAFRM COc1cc(C(=O)[O-])c(Oc2c(CNc3ccc(CNC(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3)ccc(C)c2C(N)=O)c(O)c1C ZINC000026995513 561833298 /nfs/dbraw/zinc/83/32/98/561833298.db2.gz PHPRQHYNDILUAH-YHGBQTNRSA-N -1 0 661.796 6.313 1 0 KKAFRM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)OC(C)C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026997176 561833562 /nfs/dbraw/zinc/83/35/62/561833562.db2.gz NAGRRBCJYOOBIP-UHFFFAOYSA-N -1 0 538.597 5.152 1 0 KKAFRM O=C([O-])CSC(c1cccs1)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000027072785 561833737 /nfs/dbraw/zinc/83/37/37/561833737.db2.gz QBMMUAYFUWLJEV-UHFFFAOYSA-N -1 0 654.813 9.112 1 0 KKAFRM CCCc1nc(C(C)(C)O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2C(=O)OCOC(=O)C(C)(C)C)cc1 ZINC000027079354 561834688 /nfs/dbraw/zinc/83/46/88/561834688.db2.gz LYULHUSSRHPSOU-UHFFFAOYSA-N -1 0 536.625 5.180 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027196978 561844506 /nfs/dbraw/zinc/84/45/06/561844506.db2.gz DNJKOLJHVRNCDY-HKBQPEDESA-N -1 0 574.693 7.083 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027197143 561844546 /nfs/dbraw/zinc/84/45/46/561844546.db2.gz QOYQTCCJBBAVRY-LJAQVGFWSA-N -1 0 540.689 5.595 1 0 KKAFRM O=C1NCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000027187715 561842934 /nfs/dbraw/zinc/84/29/34/561842934.db2.gz VMVNCOITNGXAAS-UHFFFAOYSA-N -1 0 517.221 6.462 1 0 KKAFRM CCC1(CC)C(=O)N(C(=O)NCc2ccc(OCc3ccccc3)cc2)[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000027202772 561845508 /nfs/dbraw/zinc/84/55/08/561845508.db2.gz JIDWZFKDSWCOBM-MHZLTWQESA-N -1 0 502.567 5.227 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000027307358 561849862 /nfs/dbraw/zinc/84/98/62/561849862.db2.gz LHVGZIIAYJDNGW-NRJHGXLISA-N -1 0 585.701 5.153 1 0 KKAFRM Cn1ccnc1S(=O)(=O)Cc1cccc([C@@H](c2c([O-])cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027317640 561851910 /nfs/dbraw/zinc/85/19/10/561851910.db2.gz GHMJSCWBXPMWLF-SANMLTNESA-N -1 0 522.667 5.279 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1ccccc1)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027426582 561858553 /nfs/dbraw/zinc/85/85/53/561858553.db2.gz CPUZQNCYTMEBRA-NJHZRGNWSA-N -1 0 545.657 5.888 1 0 KKAFRM O=C([O-])CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427394 561858653 /nfs/dbraw/zinc/85/86/53/561858653.db2.gz TUGLFOOUIBUAGY-XVORJCJLSA-N -1 0 684.837 5.252 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000027427301 561858664 /nfs/dbraw/zinc/85/86/64/561858664.db2.gz BHJMRSIHXIHXAS-PJXYRSHTSA-N -1 0 707.871 6.907 1 0 KKAFRM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2C(F)(F)F)CC1 ZINC000027436905 561860182 /nfs/dbraw/zinc/86/01/82/561860182.db2.gz RCIAZGDKPJKNPZ-QHHAFSJGSA-N -1 0 561.500 5.983 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCc2ccccc2C(=O)[O-])c3S1 ZINC000027522304 561864367 /nfs/dbraw/zinc/86/43/67/561864367.db2.gz HNKTZEFUHNHVJY-RUZDIDTESA-N -1 0 645.224 9.504 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2cccc(Cl)c2)c(COc2ccccc2CC(=O)[O-])c3S1 ZINC000027522309 561864393 /nfs/dbraw/zinc/86/43/93/561864393.db2.gz OQQODMMUYMQRLN-VWLOTQADSA-N -1 0 661.223 9.227 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027518093 561861850 /nfs/dbraw/zinc/86/18/50/561861850.db2.gz DSHYGKAKVRNSRB-AHWVRZQESA-N -1 0 576.694 5.344 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(F)cc2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027519948 561863298 /nfs/dbraw/zinc/86/32/98/561863298.db2.gz KANBVLMKGLPUST-AREMUKBSSA-N -1 0 658.795 8.755 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2cccc(C(=O)[O-])c2)c3S1 ZINC000027519937 561863302 /nfs/dbraw/zinc/86/33/02/561863302.db2.gz ATPLZPBAZCJJQR-RUZDIDTESA-N -1 0 661.223 9.340 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CCS3)c1 ZINC000027522555 561864539 /nfs/dbraw/zinc/86/45/39/561864539.db2.gz KIUKUOYAZCSXNU-KSGUIJNZSA-N -1 0 559.797 7.790 1 0 KKAFRM COC(=O)c1cccc(CC[C@H](SC[C@@H](C)C(=O)[O-])c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)c1 ZINC000027525817 561866023 /nfs/dbraw/zinc/86/60/23/561866023.db2.gz FFXBSJIERNFPHQ-ZWZFQIOISA-N -1 0 560.115 7.973 1 0 KKAFRM O=C([O-])CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(OC1CCCCC1)OC1CCCCC1 ZINC000027558849 561870071 /nfs/dbraw/zinc/87/00/71/561870071.db2.gz PQRPSUPEMTWZDO-LJAQVGFWSA-N -1 0 570.667 6.294 1 0 KKAFRM Cc1ccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2ccc(C)cc2)cc1 ZINC000027559661 561870292 /nfs/dbraw/zinc/87/02/92/561870292.db2.gz PQDGRRSQMPARMF-HKBQPEDESA-N -1 0 586.625 6.371 1 0 KKAFRM Nc1c(Br)c(Br)c(Br)cc1Oc1cc(Br)c(Br)c(Br)c1[O-] ZINC000027560102 561870482 /nfs/dbraw/zinc/87/04/82/561870482.db2.gz FTLDRYVWCIPFPB-UHFFFAOYSA-N -1 0 674.601 7.342 1 0 KKAFRM CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000027648634 561876250 /nfs/dbraw/zinc/87/62/50/561876250.db2.gz VGFAMRABAXJUTN-GGXMVOPNSA-N -1 0 514.666 5.537 1 0 KKAFRM O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCO[P@](=O)([O-])Oc1ccccc1 ZINC000027653845 561877028 /nfs/dbraw/zinc/87/70/28/561877028.db2.gz PJQAFRUIWXAOJC-UHFFFAOYSA-N -1 0 692.237 9.705 1 0 KKAFRM O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCO[P@@](=O)([O-])OC1CCCCC1 ZINC000027655036 561877281 /nfs/dbraw/zinc/87/72/81/561877281.db2.gz QFBPBSCKTKUNKD-UHFFFAOYSA-N -1 0 698.285 9.976 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@H]1C2CCC(CC2)N1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000027655405 561877455 /nfs/dbraw/zinc/87/74/55/561877455.db2.gz GVMMXYROSQCBSD-CTNWMHCWSA-N -1 0 700.428 5.691 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCC(=O)[O-])c3ccccc32)c2ccccc12 ZINC000027655888 561877493 /nfs/dbraw/zinc/87/74/93/561877493.db2.gz NDQUNPOJZCDCAE-UHFFFAOYSA-N -1 0 543.752 7.639 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nnnn3C)c(Br)c2c1 ZINC000027656410 561877688 /nfs/dbraw/zinc/87/76/88/561877688.db2.gz ROPJVWWGKSVZGE-UHFFFAOYSA-N -1 0 569.847 5.992 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(C(C)(C)C)c2c1 ZINC000027703893 561878502 /nfs/dbraw/zinc/87/85/02/561878502.db2.gz NMWVTLJMOUIPFN-UHFFFAOYSA-N -1 0 533.032 6.516 1 0 KKAFRM CC(C)c1sc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027635925 561874411 /nfs/dbraw/zinc/87/44/11/561874411.db2.gz WVLJHWOGFTYJBU-VTGNGFHBSA-N -1 0 512.671 7.472 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)C1CCCC1 ZINC000027726486 561880995 /nfs/dbraw/zinc/88/09/95/561880995.db2.gz ZDZCXHFHUVCTJE-IBGZPJMESA-N -1 0 700.138 6.310 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C(=C/c2cccnc2)C(=O)OC(C)(C)C)cc1-c1ccccc1C)C(=O)[O-] ZINC000027845161 561885423 /nfs/dbraw/zinc/88/54/23/561885423.db2.gz UQRQADYTKHCQGV-CMISJSSVSA-N -1 0 546.689 5.875 1 0 KKAFRM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C(=O)[O-])n3Cc3ccccc32)c(Cl)c1 ZINC000027865515 561887785 /nfs/dbraw/zinc/88/77/85/561887785.db2.gz RLNGMJLEEPCPAQ-UHFFFAOYSA-N -1 0 517.944 5.748 1 0 KKAFRM CN(CC(=O)NCCc1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027874217 561888540 /nfs/dbraw/zinc/88/85/40/561888540.db2.gz SRLCKFGMOQLAKE-XIFFEERXSA-N -1 0 594.604 5.526 1 0 KKAFRM CCCc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2ccccc2OC)c(OCCOc2ncc(Br)cn2)n1 ZINC000027901455 561890980 /nfs/dbraw/zinc/89/09/80/561890980.db2.gz MCADAWLJIGWZAU-UHFFFAOYSA-N -1 0 672.602 6.339 1 0 KKAFRM CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c([O-])cc(=O)oc4c3)nc(NC3CC3)c12 ZINC000027902382 561891100 /nfs/dbraw/zinc/89/11/00/561891100.db2.gz WIQSOIDJOCKDJX-UHFFFAOYSA-N -1 0 524.364 5.863 1 0 KKAFRM CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c([O-])c(C(C)=O)c(=O)oc4c3)nc(N)c12 ZINC000027983885 561891929 /nfs/dbraw/zinc/89/19/29/561891929.db2.gz UQDLPQFGMFNYLQ-UHFFFAOYSA-N -1 0 526.336 5.074 1 0 KKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@@H](CC(=O)NCCc2ccccc2Cl)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991427 561893079 /nfs/dbraw/zinc/89/30/79/561893079.db2.gz PFGBHWSQDVOTAD-VATRQPNGSA-N -1 0 637.242 7.765 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)c1nc(C(=O)N[C@H](Cc2ccccn2)C(=O)[O-])c(-c2cn(C)c3ccccc23)o1 ZINC000028017542 561897708 /nfs/dbraw/zinc/89/77/08/561897708.db2.gz ASXATNKZOAJLHC-IZZNHLLZSA-N -1 0 600.720 5.327 1 0 KKAFRM C/C=C/COc1nc(-c2ncccn2)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC ZINC000028014928 561897112 /nfs/dbraw/zinc/89/71/12/561897112.db2.gz QQJKIZQTUBPYEK-VOTSOKGWSA-N -1 0 561.664 5.788 1 0 KKAFRM O=C([O-])C1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021934 561898688 /nfs/dbraw/zinc/89/86/88/561898688.db2.gz BDMKWKGKWYADLX-FCHUYYIVSA-N -1 0 589.680 5.390 1 0 KKAFRM CC/C=C/COc1nc(-c2ncccn2)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC ZINC000028093693 561900390 /nfs/dbraw/zinc/90/03/90/561900390.db2.gz YHQPSGDHTOZVQM-JXMROGBWSA-N -1 0 575.691 6.178 1 0 KKAFRM CC(C)CN(C(=O)c1ccco1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028132455 561905880 /nfs/dbraw/zinc/90/58/80/561905880.db2.gz XRIUFTLBHXBFKJ-DEOSSOPVSA-N -1 0 579.480 7.552 1 0 KKAFRM CCCCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000028254974 561911383 /nfs/dbraw/zinc/91/13/83/561911383.db2.gz UYHGXHURSZQLMS-UHFFFAOYSA-N -1 0 571.673 7.551 1 0 KKAFRM CC(=O)N(CC(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028334118 561913100 /nfs/dbraw/zinc/91/31/00/561913100.db2.gz JKBSSLUMDOSVRK-HSZRJFAPSA-N -1 0 527.448 6.666 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230865 561909121 /nfs/dbraw/zinc/90/91/21/561909121.db2.gz RLSOYIYRBIXBNU-RDKKHIPBSA-N -1 0 730.803 5.010 1 0 KKAFRM CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)[O-] ZINC000028238554 561910126 /nfs/dbraw/zinc/91/01/26/561910126.db2.gz KPQTVIWBNKRVSR-UHFFFAOYSA-N -1 0 565.607 8.776 1 0 KKAFRM COCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352475 561915686 /nfs/dbraw/zinc/91/56/86/561915686.db2.gz DGTPDOWNYVTTSD-XMMPIXPASA-N -1 0 629.581 7.674 1 0 KKAFRM CC(C)CN(C(=O)c1cccs1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028357218 561916357 /nfs/dbraw/zinc/91/63/57/561916357.db2.gz YWCBZRPSFKBFBQ-DEOSSOPVSA-N -1 0 595.548 8.021 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1Br ZINC000028374682 561918939 /nfs/dbraw/zinc/91/89/39/561918939.db2.gz JITQTJWWFAYWIV-UMSFTDKQSA-N -1 0 603.512 9.195 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000028458016 561924249 /nfs/dbraw/zinc/92/42/49/561924249.db2.gz BMQHLQSJYWHFHJ-PGUFJCEWSA-N -1 0 547.651 7.712 1 0 KKAFRM O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cc(=O)[n-]o2)cc1)c1c(Cl)cncc1Cl ZINC000028463797 561925970 /nfs/dbraw/zinc/92/59/70/561925970.db2.gz OJFUGQPSDGXQID-GOTSBHOMSA-N -1 0 699.400 5.894 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3cc(OC(F)(F)F)ccc3c(Oc3ccc(Cl)cc3)c2C(=O)[O-])cc1 ZINC000028527497 561932584 /nfs/dbraw/zinc/93/25/84/561932584.db2.gz AAMCSMBAZLAERM-UHFFFAOYSA-N -1 0 503.904 7.971 1 0 KKAFRM Cc1cc(Cl)ccc1-c1cccc([C@H](O)CC[C@H]2CCCC(=O)N2CCSCCCC(=O)[O-])c1 ZINC000028474787 561927646 /nfs/dbraw/zinc/92/76/46/561927646.db2.gz ROTJMAOISZJFSF-ILBGXUMGSA-N -1 0 504.092 6.108 1 0 KKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3Cl)o2)cs1 ZINC000028524323 561930714 /nfs/dbraw/zinc/93/07/14/561930714.db2.gz CWQWBZNDDMVTLL-UHFFFAOYSA-N -1 0 506.889 6.622 1 0 KKAFRM COc1c2c(C)c(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1C ZINC000028526007 561931730 /nfs/dbraw/zinc/93/17/30/561931730.db2.gz PYNQNWZHEDOQHX-VWLOTQADSA-N -1 0 550.633 5.365 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4ccccc4c3-c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000028528240 561932907 /nfs/dbraw/zinc/93/29/07/561932907.db2.gz SKYVAYDFIWVHPU-LJAQVGFWSA-N -1 0 568.651 6.407 1 0 KKAFRM COc1c2c(C)c(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1I ZINC000028528857 561933436 /nfs/dbraw/zinc/93/34/36/561933436.db2.gz LSKSBHBGNRQEFN-DEOSSOPVSA-N -1 0 662.502 5.661 1 0 KKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2cc3c(cc2Cl)C(C(F)(F)F)=CC(CC)(CC)O3)cc1)C(=O)[O-] ZINC000028571034 561939158 /nfs/dbraw/zinc/93/91/58/561939158.db2.gz IKZJJSUMVFAYCA-MHZLTWQESA-N -1 0 555.033 8.128 1 0 KKAFRM CC[C@@H](CNc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CC(C)C)Nc1cccc(-c2ccccc2)c1 ZINC000028571679 561939376 /nfs/dbraw/zinc/93/93/76/561939376.db2.gz SDYAJUFCFGRCMH-CUBQBAPOSA-N -1 0 503.643 5.651 1 0 KKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(c2)OC(C)(C)C=C3c2cccc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028572603 561940307 /nfs/dbraw/zinc/94/03/07/561940307.db2.gz DIHQIJDSDBQRKU-YTTGMZPUSA-N -1 0 568.632 8.199 1 0 KKAFRM O=C([O-])C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 ZINC000028638329 561942158 /nfs/dbraw/zinc/94/21/58/561942158.db2.gz BDXDATLHTUEDJA-UHFFFAOYSA-N -1 0 526.374 6.292 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3ccc(C(=O)[O-])o3)c2)C1=O ZINC000028655870 561946834 /nfs/dbraw/zinc/94/68/34/561946834.db2.gz VCBHARIFOKYMTC-UHFFFAOYSA-N -1 0 584.673 6.425 1 0 KKAFRM CC(C)(C)c1ccc(N(C(=O)CCC(=O)Nc2ccc(-c3ccc(OCC(=O)[O-])cc3)cc2Cl)C2CC2)c(Cl)c1 ZINC000028705162 561948920 /nfs/dbraw/zinc/94/89/20/561948920.db2.gz PQEZCNONMMDKGC-UHFFFAOYSA-N -1 0 583.512 7.336 1 0 KKAFRM O=C([O-])[C@H](CCc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028758765 561957359 /nfs/dbraw/zinc/95/73/59/561957359.db2.gz DGJKGKLJIWOWJR-YTTGMZPUSA-N -1 0 712.503 10.816 1 0 KKAFRM COc1ccc(-c2cc(-c3ccc(-c4c5ccccc5sc4Cc4ccccc4)cc3)ccc2OCC(=O)[O-])cc1 ZINC000028758332 561957235 /nfs/dbraw/zinc/95/72/35/561957235.db2.gz MNJBJDGVXBRPRB-UHFFFAOYSA-N -1 0 556.683 8.965 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC2CCCCC2)cc1 ZINC000028760593 561957924 /nfs/dbraw/zinc/95/79/24/561957924.db2.gz WWGXOOSMLUSMCT-LMSSTIIKSA-N -1 0 556.684 5.421 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCCCOc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028760764 561958042 /nfs/dbraw/zinc/95/80/42/561958042.db2.gz WNJWSNXIZOSCTK-SMCANUKXSA-N -1 0 592.717 6.190 1 0 KKAFRM COc1ccc2c(c1)c(Cc1nc(-c3ccc(C(=O)[O-])cc3)cs1)c(C)n2C(=O)c1ccc(Br)cc1 ZINC000028761097 561958048 /nfs/dbraw/zinc/95/80/48/561958048.db2.gz SRJUFTTWMZQJTN-UHFFFAOYSA-N -1 0 561.457 6.822 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000028761370 561958092 /nfs/dbraw/zinc/95/80/92/561958092.db2.gz LVRIMNBHFOSLQU-UHFFFAOYSA-N -1 0 587.020 5.157 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761706 561958256 /nfs/dbraw/zinc/95/82/56/561958256.db2.gz UDVUABHFIINEHX-UHFFFAOYSA-N -1 0 621.465 5.810 1 0 KKAFRM O=C([O-])CCc1cc(Cc2ccc(-c3ccccc3)cc2)cc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028769509 561960888 /nfs/dbraw/zinc/96/08/88/561960888.db2.gz SLINFHKYKGOVFM-LJAQVGFWSA-N -1 0 560.115 6.451 1 0 KKAFRM O=C([O-])CCC/C=C\c1cc(Cc2cccnc2)cc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028771218 561961512 /nfs/dbraw/zinc/96/15/12/561961512.db2.gz RSQAZQBGWOZCCY-IQOIMNBJSA-N -1 0 525.070 5.430 1 0 KKAFRM O=C([O-])c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc4ccccc4c3)cc2Cl)c1 ZINC000028816343 561964146 /nfs/dbraw/zinc/96/41/46/561964146.db2.gz UCUWYYXYNMNGTN-VAWYXSNFSA-N -1 0 626.923 10.570 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2c(F)c(N3CC(N(Cc4ccccc4)Cc4ccccc4)C3)c(F)cc2c1=O ZINC000028819226 561965598 /nfs/dbraw/zinc/96/55/98/561965598.db2.gz HQMDNMSJEAFWHN-UHFFFAOYSA-N -1 0 515.560 5.204 1 0 KKAFRM O=C([O-])COc1ccc(SCc2cccc(F)c2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2 ZINC000028822333 561966829 /nfs/dbraw/zinc/96/68/29/561966829.db2.gz NSJSTGUEUJRILC-UHFFFAOYSA-N -1 0 506.517 6.668 1 0 KKAFRM O=C([O-])COc1ccc(SCc2ccc(F)cc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2 ZINC000028822332 561966889 /nfs/dbraw/zinc/96/68/89/561966889.db2.gz QNQHQOYJFFIDLN-UHFFFAOYSA-N -1 0 506.517 6.668 1 0 KKAFRM CN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824090 561968846 /nfs/dbraw/zinc/96/88/46/561968846.db2.gz QQGIFQPXDWHZNQ-UHFFFAOYSA-N -1 0 589.711 8.305 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000028879808 561976552 /nfs/dbraw/zinc/97/65/52/561976552.db2.gz VDIZLKTXKMYBHB-NDEPHWFRSA-N -1 0 528.568 5.576 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCCCN(NC(=O)OC(C)(C)C)C(=O)[C@H]2C1 ZINC000028877253 561975864 /nfs/dbraw/zinc/97/58/64/561975864.db2.gz LVPTWBCSDJITDR-OTYHUBDASA-N -1 0 712.844 6.432 1 0 KKAFRM CC(=O)N(c1cccc(-c2sc(-c3nn[nH]n3)c(OCC(=O)[O-])c2Br)c1)C1CC(C)(C)CC(C)(C)C1 ZINC000028887032 561977733 /nfs/dbraw/zinc/97/77/33/561977733.db2.gz VMDCVFLPHACLLJ-UHFFFAOYSA-N -1 0 576.517 5.779 1 0 KKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028948394 561980308 /nfs/dbraw/zinc/98/03/08/561980308.db2.gz RXYCRTPUOHFIKR-SHTLVRLNSA-N -1 0 522.438 5.693 1 0 KKAFRM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C3)cc2ccccc21 ZINC000028949623 561980733 /nfs/dbraw/zinc/98/07/33/561980733.db2.gz HQASURSDDJNDLH-OAQYLSRUSA-N -1 0 524.589 5.815 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000028951254 561981435 /nfs/dbraw/zinc/98/14/35/561981435.db2.gz FCZPWRLLYPULEB-FQLXRVMXSA-N -1 0 629.729 6.015 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1ccc2c(c1)c([C@](O)(C(=O)[O-])C(F)(F)F)cn2Cc1ccccc1 ZINC000028961380 561984160 /nfs/dbraw/zinc/98/41/60/561984160.db2.gz ZBOGIGWGXQVSPC-LJAQVGFWSA-N -1 0 601.046 7.231 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccc(F)cc1 ZINC000028961569 561984314 /nfs/dbraw/zinc/98/43/14/561984314.db2.gz MTKUIVNNVXTHOZ-MHZLTWQESA-N -1 0 595.998 6.946 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccncc1 ZINC000028961582 561984350 /nfs/dbraw/zinc/98/43/50/561984350.db2.gz PITUWIXTRWKEDE-AREMUKBSSA-N -1 0 578.996 6.202 1 0 KKAFRM Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=C(C(=O)[O-])CC3)Cc3ccccc32)c(Cl)c1 ZINC000028962409 561984586 /nfs/dbraw/zinc/98/45/86/561984586.db2.gz ZXOUSYBXWDZVGU-PMERELPUSA-N -1 0 532.999 6.424 1 0 KKAFRM CSc1nccc(-c2ccc(S(=O)(=O)[N-]c3cc(Br)ccc3C(=O)N3CCCCC3)s2)n1 ZINC000028969380 561985660 /nfs/dbraw/zinc/98/56/60/561985660.db2.gz QBHJUDJJJPOAHK-UHFFFAOYSA-N -1 0 553.529 5.116 1 0 KKAFRM CCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971965 561985912 /nfs/dbraw/zinc/98/59/12/561985912.db2.gz URMICMHZDOXQQE-LJQANCHMSA-N -1 0 510.578 6.342 1 0 KKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1Br)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972165 561985981 /nfs/dbraw/zinc/98/59/81/561985981.db2.gz WUPWRQQPRLHFIS-HNNXBMFYSA-N -1 0 561.420 6.324 1 0 KKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972177 561986009 /nfs/dbraw/zinc/98/60/09/561986009.db2.gz OICMCEOCBRCMNB-MRXNPFEDSA-N -1 0 561.420 6.324 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CC1CCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973615 561986294 /nfs/dbraw/zinc/98/62/94/561986294.db2.gz JSOUFOXMENBKFM-CLJLJLNGSA-N -1 0 512.631 5.131 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CC1CCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973609 561986300 /nfs/dbraw/zinc/98/63/00/561986300.db2.gz JSOUFOXMENBKFM-IZZNHLLZSA-N -1 0 512.631 5.131 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977841 561987441 /nfs/dbraw/zinc/98/74/41/561987441.db2.gz YFHWQULUZNBZKU-RRPNLBNLSA-N -1 0 646.713 5.597 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977832 561987463 /nfs/dbraw/zinc/98/74/63/561987463.db2.gz YFHWQULUZNBZKU-SVBPBHIXSA-N -1 0 646.713 5.597 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977852 561987494 /nfs/dbraw/zinc/98/74/94/561987494.db2.gz ZHOJVBCBTIUSRX-NSOVKSMOSA-N -1 0 660.740 5.987 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977819 561987510 /nfs/dbraw/zinc/98/75/10/561987510.db2.gz OACZRTSAVJISLU-IZZNHLLZSA-N -1 0 632.686 5.207 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978096 561987607 /nfs/dbraw/zinc/98/76/07/561987607.db2.gz CKXJADBCEBWSHG-WUFINQPMSA-N -1 0 610.733 5.108 1 0 KKAFRM CC(C)(C)c1ccc(C[C@@H](C(=O)[O-])c2ccc(COc3cccc(-c4ccc(C(F)(F)F)c5ncc(C(=O)c6ccccc6)cc45)c3)cc2)cc1 ZINC000028978728 561987966 /nfs/dbraw/zinc/98/79/66/561987966.db2.gz PGKSRZMWYJNXAT-PSXMRANNSA-N -1 0 687.758 10.439 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C2=C(C(=O)[O-])CCN(C(=O)OCC(C)C)C2)cc1 ZINC000029043955 561992212 /nfs/dbraw/zinc/99/22/12/561992212.db2.gz HBSFVYPKDLELGG-UHFFFAOYSA-N -1 0 504.583 5.608 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@H]1C3=O)[C@@H](O)[C@]2(C/C=C(/C)C(=O)[O-])OC4(C)C ZINC000029048616 561993552 /nfs/dbraw/zinc/99/35/52/561993552.db2.gz CXFIQFGADOTDPF-UXQODWSISA-N -1 0 632.794 7.111 1 0 KKAFRM COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)cc1 ZINC000029123592 561996878 /nfs/dbraw/zinc/99/68/78/561996878.db2.gz HUJVRWRNGLDSRP-HSZRJFAPSA-N -1 0 547.627 5.465 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(F)cc3)[C@H]2C(=O)[O-])c1 ZINC000029126668 561998751 /nfs/dbraw/zinc/99/87/51/561998751.db2.gz XUCFNKPVYCHTKK-AZGAKELHSA-N -1 0 500.526 5.069 1 0 KKAFRM O=C([O-])c1nc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1Cc1ccc2ccccc2c1 ZINC000029128620 562001135 /nfs/dbraw/zinc/00/11/35/562001135.db2.gz XPUZRMVUMASOEU-JOCHJYFZSA-N -1 0 530.433 5.685 1 0 KKAFRM O=C([O-])c1nc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1-c1ccc2ccccc2c1 ZINC000029128623 562001164 /nfs/dbraw/zinc/00/11/64/562001164.db2.gz HAKSBSNOEGNGPI-HXUWFJFHSA-N -1 0 516.406 5.761 1 0 KKAFRM Cc1ccccc1S(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000029130598 562002743 /nfs/dbraw/zinc/00/27/43/562002743.db2.gz AGOPLYBIKCJRIX-UHFFFAOYSA-N -1 0 679.238 8.082 1 0 KKAFRM COc1ccccc1S(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000029131538 562003173 /nfs/dbraw/zinc/00/31/73/562003173.db2.gz QYOABXPVWFBCJA-UHFFFAOYSA-N -1 0 693.265 8.336 1 0 KKAFRM CCC[C@H]1C[C@@H]2CCCC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)NCCS(=O)(=O)[O-])CC[C@H]3[C@H]12 ZINC000029135809 562004473 /nfs/dbraw/zinc/00/44/73/562004473.db2.gz SVYIOPQTXNIERO-GHSVZRMMSA-N -1 0 509.797 6.482 1 0 KKAFRM O=C([O-])C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212541 562005936 /nfs/dbraw/zinc/00/59/36/562005936.db2.gz JQOTYKQFFPNESQ-LBNVMWSVSA-N -1 0 641.596 5.738 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000029213934 562006140 /nfs/dbraw/zinc/00/61/40/562006140.db2.gz IDKSGHOHJZZRDZ-QAFXRHATSA-N -1 0 668.618 6.850 1 0 KKAFRM CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029214680 562006242 /nfs/dbraw/zinc/00/62/42/562006242.db2.gz KWHPSBAKIHLJHM-IZLXSDGUSA-N -1 0 673.638 5.063 1 0 KKAFRM CN(C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)c1ccc(C(=O)[O-])cc1 ZINC000029214134 562006244 /nfs/dbraw/zinc/00/62/44/562006244.db2.gz XRYLVHBLLFPJHV-XMMPIXPASA-N -1 0 574.505 5.416 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000029215261 562006383 /nfs/dbraw/zinc/00/63/83/562006383.db2.gz OJFORVQXYJQISL-QHCPKHFHSA-N -1 0 560.478 5.392 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc21 ZINC000029214833 562006426 /nfs/dbraw/zinc/00/64/26/562006426.db2.gz VEDMGEVPPMSBFU-VMPREFPWSA-N -1 0 696.632 5.591 1 0 KKAFRM COc1cc(/C=C\C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)ccc1O ZINC000029216022 562006470 /nfs/dbraw/zinc/00/64/70/562006470.db2.gz HIFZHAYMNQEZKV-KQBRERGISA-N -1 0 648.881 8.185 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2c1CCCC2 ZINC000029216646 562006637 /nfs/dbraw/zinc/00/66/37/562006637.db2.gz UOBAAOMIWCFYNW-KYJUHHDHSA-N -1 0 699.676 5.922 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000029217920 562006854 /nfs/dbraw/zinc/00/68/54/562006854.db2.gz DXEVDZMNAQUVMY-DTXPUJKBSA-N -1 0 699.676 5.598 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)[N-]C(=O)OCCC2CCCC2)cc1 ZINC000029334355 562014150 /nfs/dbraw/zinc/01/41/50/562014150.db2.gz ULSVZBGYYORWSZ-UHFFFAOYSA-N -1 0 622.857 7.581 1 0 KKAFRM COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[P@@](=O)([O-])Oc1cccc(Cl)c1 ZINC000029313270 562012142 /nfs/dbraw/zinc/01/21/42/562012142.db2.gz BOHGTQUQZZWEPK-HJWRWDBZSA-N -1 0 506.875 6.103 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3c(s2)CCC3)c1 ZINC000029390105 562017126 /nfs/dbraw/zinc/01/71/26/562017126.db2.gz QOEXKMGAAOGXMD-NCJIYNIUSA-N -1 0 547.786 7.692 1 0 KKAFRM CC(C)C[C@H](Oc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1)C(=O)[O-] ZINC000029411312 562021850 /nfs/dbraw/zinc/02/18/50/562021850.db2.gz CQSBCORKPVKJDY-NDEPHWFRSA-N -1 0 550.438 7.820 1 0 aggregator KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1[C@H](CCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000029413997 562022388 /nfs/dbraw/zinc/02/23/88/562022388.db2.gz KFRMTKIWDUPMHO-UUWRZZSWSA-N -1 0 654.159 8.108 1 0 KKAFRM CCCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029480793 562027222 /nfs/dbraw/zinc/02/72/22/562027222.db2.gz SJEIAAGTHRFNBS-VWLOTQADSA-N -1 0 545.579 7.322 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc4ccccc4n2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000029417193 562023164 /nfs/dbraw/zinc/02/31/64/562023164.db2.gz BPNVEWHXKSVOQN-HXUWFJFHSA-N -1 0 571.142 8.160 1 0 KKAFRM Cn1c2ccc(Cl)cc2c(CCCCCC(=O)NCCCC[C@H]([NH2+][C@@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)C(=O)[O-])c1-c1cccnc1 ZINC000029487968 562028705 /nfs/dbraw/zinc/02/87/05/562028705.db2.gz BOHGZWWCYIGSEX-JSOSNVBQSA-N -1 0 702.252 5.759 1 0 KKAFRM CCCc1c(OCc2ccccc2CCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029544490 562029327 /nfs/dbraw/zinc/02/93/27/562029327.db2.gz WBADINMGLBDPKG-NDEPHWFRSA-N -1 0 546.616 5.729 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 ZINC000029561517 562033317 /nfs/dbraw/zinc/03/33/17/562033317.db2.gz LTCQRNQPODCPAS-GTGQMDHASA-N -1 0 531.697 6.171 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1cccnc1)c1cccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)c1 ZINC000029563071 562033670 /nfs/dbraw/zinc/03/36/70/562033670.db2.gz IUIKKXJIHSJKKO-FHGOPSEHSA-N -1 0 531.697 6.171 1 0 KKAFRM CCc1c(C(=O)Nc2ccccc2)c(C(C)C)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000034632352 562039286 /nfs/dbraw/zinc/03/92/86/562039286.db2.gz SZXFALVZBQSUDK-DHIUTWEWSA-N -1 0 510.606 5.209 1 0 KKAFRM CC(C)N(c1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1)S(=O)(=O)c1ccccc1 ZINC000032016619 562036860 /nfs/dbraw/zinc/03/68/60/562036860.db2.gz NXKGMNJCAIWYJW-HHHXNRCGSA-N -1 0 521.679 6.150 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000033505317 562037401 /nfs/dbraw/zinc/03/74/01/562037401.db2.gz MRPRZAHMOKCOAB-KRWDZBQOSA-N -1 0 500.555 5.257 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)CNC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)cc1 ZINC000034080916 562038283 /nfs/dbraw/zinc/03/82/83/562038283.db2.gz NPDLGVZOTGAFKY-MDWZMJQESA-N -1 0 512.566 5.268 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2cccc(-c3ccccc3)c2)cc1 ZINC000034359718 562038779 /nfs/dbraw/zinc/03/87/79/562038779.db2.gz QEVQBINBSHZTPY-WJOKGBTCSA-N -1 0 501.626 7.903 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)Oc2cnccn2)c1 ZINC000034717767 562039993 /nfs/dbraw/zinc/03/99/93/562039993.db2.gz VATCVNIKAWMLQK-UHFFFAOYSA-N -1 0 578.625 6.034 1 0 KKAFRM Cc1oc(-c2ccc(-c3ncccn3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)OC(C)C)c1 ZINC000034717779 562040005 /nfs/dbraw/zinc/04/00/05/562040005.db2.gz NTXHMSZOGJFPTJ-UHFFFAOYSA-N -1 0 544.608 5.380 1 0 KKAFRM CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1ccccc1 ZINC000034799780 562040673 /nfs/dbraw/zinc/04/06/73/562040673.db2.gz NDHJVWMMRYNVOM-DYIKCSJPSA-N -1 0 603.712 5.959 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5cccc(F)c5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802393 562041892 /nfs/dbraw/zinc/04/18/92/562041892.db2.gz FGEWPRGSHIGWTP-UHFFFAOYSA-N -1 0 545.523 5.691 1 0 KKAFRM CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4cc(-c5ccccc5)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802397 562042046 /nfs/dbraw/zinc/04/20/46/562042046.db2.gz SDPYWOXUCQVWHK-UHFFFAOYSA-N -1 0 527.533 5.551 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4ccccc4F)c3)C2)cc1OC1CCCC1 ZINC000034820608 562043557 /nfs/dbraw/zinc/04/35/57/562043557.db2.gz ZXVMWANVYLYMAJ-FQEVSTJZSA-N -1 0 524.614 5.477 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cccc(-c4ccccc4)c3)cc1)n2C1CCCCC1 ZINC000034817632 562043629 /nfs/dbraw/zinc/04/36/29/562043629.db2.gz NDLDNPSOGSPFET-UHFFFAOYSA-N -1 0 502.614 8.153 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccccc3)c3ccccc3)cc1F)n2C1CCCCC1 ZINC000034817635 562043639 /nfs/dbraw/zinc/04/36/39/562043639.db2.gz CECGPGIRCUPABU-UHFFFAOYSA-N -1 0 520.604 8.214 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(Cc2ccccc2)c1 ZINC000036175919 562049117 /nfs/dbraw/zinc/04/91/17/562049117.db2.gz HCBMHDFZMXZIFD-SSEXGKCCSA-N -1 0 505.618 6.454 1 0 KKAFRM CN1c2ccc(I)cc2C(=O)N([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000036184581 562050209 /nfs/dbraw/zinc/05/02/09/562050209.db2.gz NFQDVKDBCGSJQN-NHCUHLMSSA-N -1 0 595.220 5.584 1 0 KKAFRM CCC(CC)(c1ccc(/C=C/C2(O)CCCCC2)c(C)c1)c1ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c1 ZINC000035851130 562045519 /nfs/dbraw/zinc/04/55/19/562045519.db2.gz IBTSJAZUWMBGFA-INASKANMSA-N -1 0 508.699 6.722 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(Cl)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000035967394 562045893 /nfs/dbraw/zinc/04/58/93/562045893.db2.gz VVRRKSVMSIMNKI-OOMVDEKISA-N -1 0 621.302 10.151 1 0 KKAFRM C[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000036222789 562051727 /nfs/dbraw/zinc/05/17/27/562051727.db2.gz JUCMXSKRJAYSAJ-XZOQPEGZSA-N -1 0 613.179 8.053 1 0 KKAFRM NS(=O)(=O)c1ccccc1CC[C@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268387 562052484 /nfs/dbraw/zinc/05/24/84/562052484.db2.gz NWKACWASVNUIPU-SANMLTNESA-N -1 0 571.120 5.996 1 0 KKAFRM CCC[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268418 562052530 /nfs/dbraw/zinc/05/25/30/562052530.db2.gz JFVHVNKZLUZFFI-YHFVJFFQSA-N -1 0 588.213 9.194 1 0 KKAFRM COc1ccc(-c2cc(COc3ccc(OCC(=O)[O-])c(C)c3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000037866905 562062299 /nfs/dbraw/zinc/06/22/99/562062299.db2.gz RYYBNANZDICNDH-UHFFFAOYSA-N -1 0 522.519 7.399 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCC(=O)[O-] ZINC000037866901 562062317 /nfs/dbraw/zinc/06/23/17/562062317.db2.gz KVPLDYUFUJOOOT-UHFFFAOYSA-N -1 0 594.464 6.959 1 0 KKAFRM COc1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)cc1 ZINC000036350407 562058118 /nfs/dbraw/zinc/05/81/18/562058118.db2.gz FJKCDOQEQCBQPZ-UHFFFAOYSA-N -1 0 567.085 8.815 1 0 KKAFRM CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000036350452 562058214 /nfs/dbraw/zinc/05/82/14/562058214.db2.gz ZOIDECNZYFXWHF-UHFFFAOYSA-N -1 0 608.138 8.508 1 0 KKAFRM O=C([O-])Cc1cccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 ZINC000037866941 562062360 /nfs/dbraw/zinc/06/23/60/562062360.db2.gz CUTONGFQGBPDDB-UHFFFAOYSA-N -1 0 501.322 5.344 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036387314 562060234 /nfs/dbraw/zinc/06/02/34/562060234.db2.gz RNQSLEMXNUXUSP-OZXSUGGESA-N -1 0 511.571 5.039 3 0 KKAFRM COC(=O)c1ccc2[nH]c([C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036748844 562061083 /nfs/dbraw/zinc/06/10/83/562061083.db2.gz XNESRZBWFVZRNF-FQLXRVMXSA-N -1 0 644.731 5.010 1 0 KKAFRM CS(=O)(=O)[N-]c1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000038149577 562066001 /nfs/dbraw/zinc/06/60/01/562066001.db2.gz JRBATXMNNOSVOU-UHFFFAOYSA-N -1 0 503.424 5.410 1 0 KKAFRM CCCCc1nc2cc(S(=O)(=O)NC(C)(C)C)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040401302 562074569 /nfs/dbraw/zinc/07/45/69/562074569.db2.gz UOIWSEXTDIOVSI-UHFFFAOYSA-N -1 0 519.667 5.869 1 0 KKAFRM O=C([O-])CCCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000038377634 562071500 /nfs/dbraw/zinc/07/15/00/562071500.db2.gz RIRQVBKIUJQHPL-VWLOTQADSA-N -1 0 637.301 6.583 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000038377630 562071509 /nfs/dbraw/zinc/07/15/09/562071509.db2.gz WFRPBCOZTLVAQN-QUGAMOGWSA-N -1 0 700.879 7.389 1 0 KKAFRM C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377672 562071654 /nfs/dbraw/zinc/07/16/54/562071654.db2.gz VLOPNYYNACVDTC-QLXKLKPCSA-N -1 0 651.328 7.144 1 0 KKAFRM Cc1ccccc1-c1cnc(N(C)C2CCCCC2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-] ZINC000038457657 562072072 /nfs/dbraw/zinc/07/20/72/562072072.db2.gz XARDPWNIZSHKPU-SANMLTNESA-N -1 0 531.657 5.389 1 0 KKAFRM C[C@H](C(=O)[O-])c1cccc2ccc(OCCCOc3ccc(CC(=O)NCCc4ccccc4)cc3)cc21 ZINC000040403430 562074744 /nfs/dbraw/zinc/07/47/44/562074744.db2.gz ICTRYYTTXDUIMC-QHCPKHFHSA-N -1 0 511.618 5.777 1 0 KKAFRM C[C@@H](C(=O)[O-])c1ccc(OCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)c(Cl)c1 ZINC000040402117 562074770 /nfs/dbraw/zinc/07/47/70/562074770.db2.gz ZMKJHJWPRCQSTG-OAQYLSRUSA-N -1 0 510.030 5.620 1 0 KKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1ccccc1C(F)(F)F)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000040423884 562076351 /nfs/dbraw/zinc/07/63/51/562076351.db2.gz ZKWQQQBWTITVGS-XSBVVTFOSA-N -1 0 502.577 7.568 1 0 KKAFRM Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000040835182 562079961 /nfs/dbraw/zinc/07/99/61/562079961.db2.gz QSKRPMWQJMNPFM-DEOSSOPVSA-N -1 0 517.969 5.577 1 0 KKAFRM CCOc1cc(F)c(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F ZINC000040849029 562080511 /nfs/dbraw/zinc/08/05/11/562080511.db2.gz PPXZIVISQNAYKI-SLJGHHOESA-N -1 0 525.636 6.415 1 0 KKAFRM COCC(=O)Nc1cc(C(=O)[O-])cc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000040863273 562081108 /nfs/dbraw/zinc/08/11/08/562081108.db2.gz ZWFLNZRPVMUXMZ-UHFFFAOYSA-N -1 0 501.966 6.536 1 0 KKAFRM CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)[O-])[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000040878686 562082460 /nfs/dbraw/zinc/08/24/60/562082460.db2.gz JVABUELIHJXLKP-AKLXTZHKSA-N -1 0 510.715 7.070 1 0 KKAFRM CC1(C)CC[C@]2(CCCCCCC(=O)[O-])CC[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 ZINC000042805785 562089290 /nfs/dbraw/zinc/08/92/90/562089290.db2.gz ZMUHPSDPTWEQTP-AAXYPDHBSA-N -1 0 540.873 9.574 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)/C=C/c6ccc(O)cc6)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000042802867 562087822 /nfs/dbraw/zinc/08/78/22/562087822.db2.gz DISWUMYSZWWBEB-FOBMPSPKSA-N -1 0 602.856 9.204 1 0 KKAFRM CC(C)c1c(C(=O)NCc2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000042806457 562089744 /nfs/dbraw/zinc/08/97/44/562089744.db2.gz UJYMCWMVUHMAFF-VSGBNLITSA-N -1 0 573.665 5.386 1 0 KKAFRM CC(C)(O)[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)[O-] ZINC000095909366 560059752 /nfs/dbraw/zinc/05/97/52/560059752.db2.gz GOGUYBVFXPYHRJ-FLKDJYNGSA-N -1 0 508.740 5.516 1 0 biogenic,in-vitro KKAFRM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)C1CCCC1 ZINC000085595270 560064139 /nfs/dbraw/zinc/06/41/39/560064139.db2.gz DUGDCEITGLLWQQ-TXONAAPKSA-N -1 0 520.578 5.125 1 0 biogenic,in-vitro KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3cc(F)ccc32)cc1 ZINC000043068222 562645440 /nfs/dbraw/zinc/64/54/40/562645440.db2.gz KAYHBVGMLZZTOF-BQYQJAHWSA-N -1 0 536.559 5.273 1 0 KKAFRM O=C(CC[C@@H]1CSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@@H](C(=O)[O-])OC2 ZINC000043119866 562646049 /nfs/dbraw/zinc/64/60/49/562646049.db2.gz VFSBGEYSEWZWLR-RPBOFIJWSA-N -1 0 505.661 5.681 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(c1)CCN(c1cccc(C(=O)[O-])c1)C2=O ZINC000043120618 562646130 /nfs/dbraw/zinc/64/61/30/562646130.db2.gz OKXAKDBWNJEFJW-UHFFFAOYSA-N -1 0 551.426 7.252 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000043153314 562646422 /nfs/dbraw/zinc/64/64/22/562646422.db2.gz HDOVLJSWFVNUOQ-SANMLTNESA-N -1 0 619.227 8.244 1 0 KKAFRM Cc1cc(C)c(C(=O)N[C@H](Cc2ccc(N3CCC(c4ccc5c(n4)NCCC5)CC3)cc2)C(=O)[O-])c(C)c1 ZINC000043171694 562646567 /nfs/dbraw/zinc/64/65/67/562646567.db2.gz RWENQEHCTSXFGI-MUUNZHRXSA-N -1 0 526.681 5.175 1 0 KKAFRM Cc1ccnc(NCc2csc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000043176810 562646648 /nfs/dbraw/zinc/64/66/48/562646648.db2.gz FAUUZARDASUJGS-VWLOTQADSA-N -1 0 513.663 6.082 1 0 KKAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](Cc4ccc5[nH]ccc5c4)C(=O)[O-])CCCC3)cc2)c1 ZINC000043409346 562648282 /nfs/dbraw/zinc/64/82/82/562648282.db2.gz WSLLXRLWRGRHGO-GDLZYMKVSA-N -1 0 553.659 5.470 1 0 KKAFRM C[C@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(Br)c(Br)s3)c2c1 ZINC000043543854 562649462 /nfs/dbraw/zinc/64/94/62/562649462.db2.gz BPYPBNFBTYPAAJ-VIFPVBQESA-N -1 0 577.703 6.460 1 0 KKAFRM C[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2)C1 ZINC000043544024 562649619 /nfs/dbraw/zinc/64/96/19/562649619.db2.gz CAEWRSFYQPPYQS-AREMUKBSSA-N -1 0 557.466 5.142 1 0 KKAFRM CC[C@H](O)CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4[C@@](C)(CC)CCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]2(C)[C@@H](C(=O)[O-])[C@@H]1C(C)=O ZINC000043552799 562649661 /nfs/dbraw/zinc/64/96/61/562649661.db2.gz VFBXOXMDEZSTGF-GFABKKOPSA-N -1 0 590.798 5.966 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3cccc4ccccc43)[C@@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)[O-] ZINC000044053366 562652029 /nfs/dbraw/zinc/65/20/29/562652029.db2.gz SKKNIEMTSOAJKK-DEOSSOPVSA-N -1 0 538.600 5.247 1 0 KKAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](CCCCNC(=O)OCc4ccccc4)C(=O)[O-])CCCC3)cc2)c1 ZINC000044247153 562652727 /nfs/dbraw/zinc/65/27/27/562652727.db2.gz DHHPTHXAIIQLOJ-HKBQPEDESA-N -1 0 629.754 5.842 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(O)C[C@]4(C)CC[C@@H]5[C@](C)(CC[C@H](OC(C)=O)[C@]5(C)C(=O)[O-])[C@H]4CC[C@H]23)C1(C)C ZINC000044308212 562654238 /nfs/dbraw/zinc/65/42/38/562654238.db2.gz ZTKNIOHKWFWGGH-DTQZJXPXSA-N -1 0 574.799 6.541 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC(=O)[O-])cc3)C[C@@]21C ZINC000044351337 562654629 /nfs/dbraw/zinc/65/46/29/562654629.db2.gz VETSLXUNGBDAPY-BWQSSOLDSA-N -1 0 529.721 6.422 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1cc(Cl)c(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000044352455 562655127 /nfs/dbraw/zinc/65/51/27/562655127.db2.gz ICYQFAXGIFGNST-PMACEKPBSA-N -1 0 574.436 6.205 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1cc(F)c(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000044352544 562655166 /nfs/dbraw/zinc/65/51/66/562655166.db2.gz YNJNDBAQPYNBTR-PMACEKPBSA-N -1 0 557.981 5.690 1 0 KKAFRM C[C@H]1CN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)C[C@H]1C(=O)[O-] ZINC000044386956 562656004 /nfs/dbraw/zinc/65/60/04/562656004.db2.gz NEJSXHIFKDWEBQ-GXFFZTMASA-N -1 0 528.915 5.426 1 0 KKAFRM CC(C)c1onc(COc2c(Cl)cc(Cl)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044388363 562656362 /nfs/dbraw/zinc/65/63/62/562656362.db2.gz CEWFKCPXHRZOEO-VOTSOKGWSA-N -1 0 607.317 9.438 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@@H]2[C@](C)(CC[C@H](OC(C)=O)[C@]2(C)C(=O)[O-])[C@H]1CC3 ZINC000044404657 562656502 /nfs/dbraw/zinc/65/65/02/562656502.db2.gz HKGXZMLIBMIWOG-PZXTYGFMSA-N -1 0 556.784 7.490 1 0 KKAFRM CC(C)c1onc(C[S@](=O)c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044405833 562656748 /nfs/dbraw/zinc/65/67/48/562656748.db2.gz QMDSMBFIKFKGBD-DDNMZLIESA-N -1 0 604.939 8.514 1 0 KKAFRM Cc1ccnc(NCc2cccc(-c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000045364738 562662048 /nfs/dbraw/zinc/66/20/48/562662048.db2.gz ZRRDVEJNFGIFLZ-MUUNZHRXSA-N -1 0 507.634 6.020 1 0 KKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000045389189 562662466 /nfs/dbraw/zinc/66/24/66/562662466.db2.gz XRJORJOEXYTMGE-SANMLTNESA-N -1 0 503.595 5.571 1 0 KKAFRM CCCCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1OC)O2 ZINC000045390460 562662516 /nfs/dbraw/zinc/66/25/16/562662516.db2.gz UOULUSNRLONYPV-WZMUHWBOSA-N -1 0 525.667 6.286 1 0 KKAFRM Cn1cccc1-c1nc2cc(C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc2n1C1CCCCC1 ZINC000049000358 562663229 /nfs/dbraw/zinc/66/32/29/562663229.db2.gz SXWYQCYYJVHYME-VWLOTQADSA-N -1 0 525.609 5.160 1 0 KKAFRM Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049033502 562663402 /nfs/dbraw/zinc/66/34/02/562663402.db2.gz KFGHXHZEVDKCCE-UHFFFAOYSA-N -1 0 516.497 6.122 1 0 KKAFRM COc1ccc(-c2nc(CSc3ccc(OCC(=O)[O-])cc3Cl)oc2-c2ccc(OC)cc2)cc1 ZINC000049034344 562663481 /nfs/dbraw/zinc/66/34/81/562663481.db2.gz LLMINKODSCABRE-UHFFFAOYSA-N -1 0 511.983 6.435 1 0 KKAFRM CCCCOc1ccc(-c2ccc(C(=O)[O-])c(C)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049033947 562663497 /nfs/dbraw/zinc/66/34/97/562663497.db2.gz PVSZVADVHFOODE-UHFFFAOYSA-N -1 0 503.492 6.627 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)OC2CCCCC2)c1 ZINC000049072041 562664201 /nfs/dbraw/zinc/66/42/01/562664201.db2.gz VJLLKKNPFAWXSC-UHFFFAOYSA-N -1 0 512.990 6.238 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)cc1 ZINC000049126161 562664830 /nfs/dbraw/zinc/66/48/30/562664830.db2.gz VRDAVFHETQPZNA-UHFFFAOYSA-N -1 0 520.969 6.276 1 0 KKAFRM O=C([O-])[C@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccccc1)NC(=O)c1ccc2ccccc2n1 ZINC000049605919 562666400 /nfs/dbraw/zinc/66/64/00/562666400.db2.gz QGVRHUVGSKYQFD-SKZPZPHBSA-N -1 0 697.792 5.064 1 0 KKAFRM COC(=O)C1CCN(c2ccc3c(=O)n(C(c4ccccc4)c4ccccc4)c(=O)n(C/C=C/COc4ccc(C(=O)[O-])cc4)c3c2)CC1 ZINC000049650384 562668105 /nfs/dbraw/zinc/66/81/05/562668105.db2.gz IQFLLOYPBGABOZ-CMDGGOBGSA-N -1 0 659.739 5.524 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000049670085 562668242 /nfs/dbraw/zinc/66/82/42/562668242.db2.gz KRZYYMWGFJYBLV-HWKANZROSA-N -1 0 571.379 6.380 1 0 KKAFRM CCCCCC(=O)n1ncc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]1(C)C2 ZINC000049694749 562669675 /nfs/dbraw/zinc/66/96/75/562669675.db2.gz PVAPNFADZYNTGF-BXEYLZRDSA-N -1 0 576.866 9.004 1 0 KKAFRM COc1ccc(C(=O)OC[C@H]2Oc3ccc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)cc3O[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000049694772 562669732 /nfs/dbraw/zinc/66/97/32/562669732.db2.gz FDXPVIPIJRMEIA-JOMNFKBKSA-N -1 0 614.559 5.038 1 0 KKAFRM O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1cc(Cl)cc(Br)c1[O-] ZINC000049756489 562675038 /nfs/dbraw/zinc/67/50/38/562675038.db2.gz DHFBTBFSMNEFHJ-UHFFFAOYSA-N -1 0 535.630 6.200 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000049757112 562675584 /nfs/dbraw/zinc/67/55/84/562675584.db2.gz SKHSJJZUMHKTGD-IBGZPJMESA-N -1 0 566.614 6.517 1 0 KKAFRM COc1cc(-c2[n-]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc(OC)c1OC ZINC000049757122 562675586 /nfs/dbraw/zinc/67/55/86/562675586.db2.gz IFCZHLYGPQRXKW-UHFFFAOYSA-N -1 0 608.577 5.673 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C[C@H](OC(=O)CCC(=O)[O-])C[C@]43C)[C@@H]2C1 ZINC000049763305 562676942 /nfs/dbraw/zinc/67/69/42/562676942.db2.gz IMZSVKFLWFZJJG-WOZPFAARSA-N -1 0 646.909 9.308 1 0 KKAFRM Cc1cn(Cc2ccc3ccccc3c2)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)no1 ZINC000049775494 562679095 /nfs/dbraw/zinc/67/90/95/562679095.db2.gz VTTNOESEXNMJHN-UHFFFAOYSA-N -1 0 586.497 8.114 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000049776281 562679321 /nfs/dbraw/zinc/67/93/21/562679321.db2.gz VGPWMCMXASPEAA-UHFFFAOYSA-N -1 0 678.250 8.800 1 0 KKAFRM CC[C@@H](C)Oc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049777072 562679578 /nfs/dbraw/zinc/67/95/78/562679578.db2.gz OJSBHAFKMHNAMF-LJQANCHMSA-N -1 0 587.616 7.904 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccccc3)n4C3CCCCC3)CCC2)cc1 ZINC000049777739 562680491 /nfs/dbraw/zinc/68/04/91/562680491.db2.gz ROZXJVOETPTWQD-XMHGGMMESA-N -1 0 562.670 6.598 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)[N-]S(=O)(=O)c1cccs1 ZINC000049781253 562682831 /nfs/dbraw/zinc/68/28/31/562682831.db2.gz FBRHQUFYVIYROH-VQHVLOKHSA-N -1 0 543.400 5.212 1 0 KKAFRM C[C@@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000049781335 562682951 /nfs/dbraw/zinc/68/29/51/562682951.db2.gz YVXKHYTZGSDYFM-OAUONFCTSA-N -1 0 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DAUBYXBAYJPYPB-OYKKKHCWSA-N -1 0 505.548 5.218 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)c(F)s3)cc2Cl)CC1 ZINC000053296292 562697390 /nfs/dbraw/zinc/69/73/90/562697390.db2.gz SRRSZNHVURYSOR-UHFFFAOYSA-N -1 0 546.905 5.709 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053298656 562697522 /nfs/dbraw/zinc/69/75/22/562697522.db2.gz KRYVOGOTDPLIKT-QRVIBDJDSA-N -1 0 543.519 6.228 1 0 KKAFRM C[C@](Cc1ccc(Oc2cc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000056948328 562697876 /nfs/dbraw/zinc/69/78/76/562697876.db2.gz ISAYAZQESZCJCU-WJOKGBTCSA-N -1 0 607.633 5.657 1 0 KKAFRM Cc1nc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1N(C)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000058534789 562698728 /nfs/dbraw/zinc/69/87/28/562698728.db2.gz YSVUBTXWBYBSPV-UHFFFAOYSA-N -1 0 554.430 7.029 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000058563901 562699387 /nfs/dbraw/zinc/69/93/87/562699387.db2.gz LLIRGSLYYCOZDJ-UHFFFAOYSA-N -1 0 594.417 8.099 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(O[C@H](C)OC(=O)C(C)(C)C)O[C@H](C)OC(=O)C(C)(C)C)S(=O)(=O)[O-] ZINC000058583262 562700070 /nfs/dbraw/zinc/70/00/70/562700070.db2.gz LEZBAZZYWXDJPL-VZVCHMLASA-N -1 0 664.839 8.887 1 0 KKAFRM CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000059353830 562701994 /nfs/dbraw/zinc/70/19/94/562701994.db2.gz LHAWTMVWBHIFTO-FOCLMDBBSA-N -1 0 578.593 8.573 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccc3ccccc3c2)=NO1 ZINC000059630429 562702089 /nfs/dbraw/zinc/70/20/89/562702089.db2.gz JEESWEGVVIPPAQ-FKAPRUDGSA-N -1 0 590.463 6.094 1 0 KKAFRM COc1ccc(Cl)cc1S(=O)(=O)N1CCc2c1cc(C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)cc2C ZINC000059716194 562702180 /nfs/dbraw/zinc/70/21/80/562702180.db2.gz ORSDIQTZRNGVQZ-UHFFFAOYSA-N -1 0 535.405 5.012 1 0 in-vitro KKAFRM COCOc1ccc(-c2oc3c(C/C=C(\C)CCC=C(C)C)ccc(=O)c-3c([O-])c2OCOC)c(OCOC)c1 ZINC000059796367 562702320 /nfs/dbraw/zinc/70/23/20/562702320.db2.gz XHBFWPHNXAPYKY-UFFVCSGVSA-N -1 0 554.636 6.349 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](CC3CCCC3)C=C(C(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000061947043 562704003 /nfs/dbraw/zinc/70/40/03/562704003.db2.gz GEUSDTXWGRQRGS-OFNKIYASSA-N -1 0 504.446 5.463 3 0 KKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000064437183 562705253 /nfs/dbraw/zinc/70/52/53/562705253.db2.gz KTBIQBOAWCFCKL-WOJMBDDJSA-N -1 0 520.751 5.970 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2nc(NCCc3ccccc3)nc3c2CN(Cc2ccccc2)CC3)cc1Cl ZINC000064527992 562707224 /nfs/dbraw/zinc/70/72/24/562707224.db2.gz DFADMUBUIAJWIU-UHFFFAOYSA-N -1 0 548.112 5.452 1 0 KKAFRM CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CC/C(=C\N1C(=O)C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C)=CCC[C@@H]32)C1=O)CC(=O)[O-] ZINC000064540776 562707767 /nfs/dbraw/zinc/70/77/67/562707767.db2.gz UYFSTAMGNLMQPQ-VOISMMSUSA-N -1 0 617.915 9.798 1 0 KKAFRM O=C([O-])c1cnc(N2CCc3nc(N4CCCCC4)nc(Nc4ccc(C(F)(F)F)cc4)c3CC2)c(Cl)c1 ZINC000064560377 562708512 /nfs/dbraw/zinc/70/85/12/562708512.db2.gz ZKHDTGJLFPCQSN-UHFFFAOYSA-N -1 0 546.981 5.581 1 0 KKAFRM CN(CCC(=O)[O-])C(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066058907 562709201 /nfs/dbraw/zinc/70/92/01/562709201.db2.gz QQONWYNNVABKJM-UHFFFAOYSA-N -1 0 607.507 6.609 1 0 KKAFRM CC(C)COc1cc(C(=O)[O-])nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc21 ZINC000066065898 562709213 /nfs/dbraw/zinc/70/92/13/562709213.db2.gz KVBBTGDLNQNUKB-UHFFFAOYSA-N -1 0 605.518 9.299 1 0 KKAFRM CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1ccccc1 ZINC000066074232 562709708 /nfs/dbraw/zinc/70/97/08/562709708.db2.gz MLOFWAOGDXRTBH-UHFFFAOYSA-N -1 0 623.127 6.602 1 0 KKAFRM O=C([O-])CCc1ccc(NC(=O)[C@@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)cc1 ZINC000066097668 562710817 /nfs/dbraw/zinc/71/08/17/562710817.db2.gz OTFYNSKFYNUAPX-MUUNZHRXSA-N -1 0 552.021 7.412 1 0 KKAFRM O=C([O-])CCc1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)cc1 ZINC000066097669 562710831 /nfs/dbraw/zinc/71/08/31/562710831.db2.gz OTFYNSKFYNUAPX-NDEPHWFRSA-N -1 0 552.021 7.412 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@@H](O)c1cccc(F)c1Cl ZINC000066097838 562710849 /nfs/dbraw/zinc/71/08/49/562710849.db2.gz UGZXATUGMYMVNN-SANMLTNESA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@@H](O)c1ccc(F)cc1Cl ZINC000066098709 562710930 /nfs/dbraw/zinc/71/09/30/562710930.db2.gz GMBRPFYYUQEJQB-SANMLTNESA-N -1 0 567.485 5.697 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3ccc4ccccc4c3)nn2)cc1 ZINC000066112084 562711936 /nfs/dbraw/zinc/71/19/36/562711936.db2.gz QQVYSVDQKHFSRT-UHFFFAOYSA-N -1 0 546.583 6.643 1 0 KKAFRM COc1ccc2nc(NC(=O)CCCn3cc(-c4c5cc(C(=O)[O-])c(O)cc5oc4-c4cccc(C)c4)nn3)sc2c1 ZINC000066112448 562712040 /nfs/dbraw/zinc/71/20/40/562712040.db2.gz BEWNGQMBEVZWOA-UHFFFAOYSA-N -1 0 583.626 6.108 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3cccc4cccnc43)nn2)cc1 ZINC000066112677 562712093 /nfs/dbraw/zinc/71/20/93/562712093.db2.gz ZCRALCUGDMSCHH-UHFFFAOYSA-N -1 0 547.571 6.038 1 0 KKAFRM O=C([O-])C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000066167041 562714231 /nfs/dbraw/zinc/71/42/31/562714231.db2.gz BCJRSLHUZBPDAB-GOTSBHOMSA-N -1 0 567.288 6.644 3 0 KKAFRM CC1(C)CC[C@]2(COC(=O)c3ccccc3C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000066167166 562714270 /nfs/dbraw/zinc/71/42/70/562714270.db2.gz HZQNBXLHLRDTSP-BLLRUCKUSA-N -1 0 588.829 8.912 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000068045416 562715727 /nfs/dbraw/zinc/71/57/27/562715727.db2.gz NHQZPUJZMXFCFZ-SDNWHVSQSA-N -1 0 642.156 6.734 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000068202321 562715974 /nfs/dbraw/zinc/71/59/74/562715974.db2.gz IUQKJKPHUBJDJV-UMNBWOBWSA-N -1 0 669.933 5.026 1 0 KKAFRM O=C([O-])[C@@H]1CCOc2cc(Oc3ccc(C(=O)Nc4cccc(-c5ccc(Cl)cc5)n4)cc3)c(Cl)cc21 ZINC000068244053 562716034 /nfs/dbraw/zinc/71/60/34/562716034.db2.gz GWDVHHFYMYWYNA-HXUWFJFHSA-N -1 0 535.383 7.051 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000070631571 562716413 /nfs/dbraw/zinc/71/64/13/562716413.db2.gz NZQARWYKOBSGNY-GGIHXLTRSA-N -1 0 568.795 6.902 1 0 KKAFRM CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc(/C=C(\C)C(=O)[O-])cn3C3CCCCC3)cc2)c1 ZINC000071280747 562716577 /nfs/dbraw/zinc/71/65/77/562716577.db2.gz JFVLNKZROXORFV-RELWKKBWSA-N -1 0 584.116 7.802 1 0 KKAFRM O=C([O-])/C=C/c1ccc(OC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ccccc4CCC3)CCCC2)cc1 ZINC000071294620 562716923 /nfs/dbraw/zinc/71/69/23/562716923.db2.gz DOWDYPDDGMREQB-LTGZKZEYSA-N -1 0 616.758 8.048 1 0 KKAFRM C[C@@H](Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)[O-] ZINC000071295295 562717181 /nfs/dbraw/zinc/71/71/81/562717181.db2.gz XBRMNXZEERYMMV-GOSISDBHSA-N -1 0 501.007 7.440 1 0 KKAFRM CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-n3nc(/C=C(\C)C(=O)[O-])cc3C3CCCCC3)cc2)c1 ZINC000071296010 562717391 /nfs/dbraw/zinc/71/73/91/562717391.db2.gz CNYQWYUXIWBRPZ-RELWKKBWSA-N -1 0 584.116 7.667 1 0 KKAFRM COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2-c2ccc(C)cc2F)cc1 ZINC000071296248 562717466 /nfs/dbraw/zinc/71/74/66/562717466.db2.gz SLFCKQWVMXDHDU-UHFFFAOYSA-N -1 0 576.628 6.081 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCCCC(=O)[O-])CC[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 ZINC000071296189 562717476 /nfs/dbraw/zinc/71/74/76/562717476.db2.gz 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/nfs/dbraw/zinc/71/82/33/562718233.db2.gz PGDOKBIYYZCQED-QGZVFWFLSA-N -1 0 570.922 7.470 1 0 KKAFRM CCCCN(c1cccc(-c2ccccc2Cl)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071329597 562718904 /nfs/dbraw/zinc/71/89/04/562718904.db2.gz WCQJVRZUTJFFBE-NRFANRHFSA-N -1 0 530.086 6.780 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071329959 562719043 /nfs/dbraw/zinc/71/90/43/562719043.db2.gz BVTKQJBNQKCSOL-NRFANRHFSA-N -1 0 530.086 6.780 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cccc2cccnc21 ZINC000071331537 562719289 /nfs/dbraw/zinc/71/92/89/562719289.db2.gz AARNZHALWWAOHP-LTGZKZEYSA-N -1 0 614.746 7.686 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(CCC(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071334250 562719545 /nfs/dbraw/zinc/71/95/45/562719545.db2.gz RQQAEWKUVMYDDB-UHFFFAOYSA-N -1 0 566.702 6.452 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000071341282 562719941 /nfs/dbraw/zinc/71/99/41/562719941.db2.gz MCNWZSWZPIFDEI-JNIYIHIJSA-N -1 0 507.762 6.694 1 0 KKAFRM O=C([O-])CCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071341562 562720020 /nfs/dbraw/zinc/72/00/20/562720020.db2.gz IFIVOQDHVBJTCL-AOYPEHQESA-N -1 0 608.290 6.232 1 0 KKAFRM C[C@](Cc1nc2ccccc2s1)(C(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1)c1ccccc1 ZINC000072105927 562720880 /nfs/dbraw/zinc/72/08/80/562720880.db2.gz YEXBEMGSRCFPBW-DIPNUNPCSA-N -1 0 673.795 5.385 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(Cl)cc3)C(=O)[O-])ccc2o1 ZINC000072113224 562722277 /nfs/dbraw/zinc/72/22/77/562722277.db2.gz ZPAFQVYRCIVKAM-SANMLTNESA-N -1 0 516.981 6.695 1 0 KKAFRM COc1ccccc1[C@@H](O)c1cc(Cl)cc(Cl)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000072113639 562722434 /nfs/dbraw/zinc/72/24/34/562722434.db2.gz QLTUJDTZFHREMI-XRHLQHRESA-N -1 0 579.521 5.566 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(C(F)(F)F)cc3)C(=O)[O-])ccc2o1 ZINC000072114282 562722680 /nfs/dbraw/zinc/72/26/80/562722680.db2.gz XHZOWERMVVUKNN-SANMLTNESA-N -1 0 550.533 7.060 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1Cl ZINC000072116889 562723268 /nfs/dbraw/zinc/72/32/68/562723268.db2.gz YJEOAOJXUPJWNJ-XQNQTFOSSA-N -1 0 665.983 5.038 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(C[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)[O-])nn1 ZINC000072118176 562723436 /nfs/dbraw/zinc/72/34/36/562723436.db2.gz RKGSGEPIJYJCKC-CDHBMGKQSA-N -1 0 540.708 6.790 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(Cl)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)cc1 ZINC000072142583 562729575 /nfs/dbraw/zinc/72/95/75/562729575.db2.gz FGWQXWPDBISCQU-NRFANRHFSA-N -1 0 504.970 5.195 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000072142716 562729627 /nfs/dbraw/zinc/72/96/27/562729627.db2.gz UOIVCSFHXNKXJG-UHFFFAOYSA-N -1 0 518.462 6.738 1 0 KKAFRM Cc1ccc(-n2ncc3c2C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)[O-])CC[C@]54C)[C@@]2(C)C3)cc1 ZINC000072173334 562730910 /nfs/dbraw/zinc/73/09/10/562730910.db2.gz HXMDVJCWGPCIGP-RXLVGJJOSA-N -1 0 568.846 9.081 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)[O-])CC[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]2[C@H]1C ZINC000072175638 562731395 /nfs/dbraw/zinc/73/13/95/562731395.db2.gz YQVBDWUOQIMLKM-KELVNLOQSA-N -1 0 619.887 7.523 1 0 KKAFRM COc1ccc(/C=C/C(=O)N[C@@H](Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(=O)[O-])cc1OC ZINC000072178632 562732113 /nfs/dbraw/zinc/73/21/13/562732113.db2.gz GOFVWKFVLNCYPN-SPNSGGJLSA-N -1 0 529.564 5.400 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccccc1Br ZINC000072179594 562732329 /nfs/dbraw/zinc/73/23/29/562732329.db2.gz ZUMLKTASSKFUKL-ZCUZSRHZSA-N -1 0 548.408 6.146 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000072180979 562732593 /nfs/dbraw/zinc/73/25/93/562732593.db2.gz HWBMJMGWPHJILX-LDOPOZNOSA-N -1 0 538.402 6.690 1 0 KKAFRM CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@]45CC[C@@H]6C(C)(C)[C@H](OC(=O)CC(C)(C)C(=O)[O-])CC[C@@]6(C)[C@@]4(CC[C@H]23)O5)C1(C)C ZINC000072181384 562732717 /nfs/dbraw/zinc/73/27/17/562732717.db2.gz YRMYITMXGSZLQN-LSLRSCSFSA-N -1 0 600.881 8.201 1 0 KKAFRM Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@](C)(O)c3ccc(C(=O)[O-])cc3)s2)c1 ZINC000072315493 562733074 /nfs/dbraw/zinc/73/30/74/562733074.db2.gz NQBPSXGCDSSTGM-HSZRJFAPSA-N -1 0 500.502 5.625 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000072316988 562733103 /nfs/dbraw/zinc/73/31/03/562733103.db2.gz LMZZNBSYLVXJQQ-UHFFFAOYSA-N -1 0 547.655 6.649 1 0 KKAFRM O=C([O-])CCCc1ccc(-n2cc(CCCn3cc(C4=C(c5c[nH]c6ccccc56)C(=O)NC4=O)c4ccccc43)nn2)cc1 ZINC000073129660 562733316 /nfs/dbraw/zinc/73/33/16/562733316.db2.gz VNKWKXJHKOACEK-UHFFFAOYSA-N -1 0 598.663 5.311 1 0 KKAFRM CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])cc(F)c3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000073156051 562733792 /nfs/dbraw/zinc/73/37/92/562733792.db2.gz YAJQCLBNEYJGNP-UHFFFAOYSA-N -1 0 545.036 5.224 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1cccc(Cl)c1 ZINC000073167366 562734572 /nfs/dbraw/zinc/73/45/72/562734572.db2.gz BHYBTRWSAUXYRB-UHFFFAOYSA-N -1 0 535.946 6.820 1 0 KKAFRM CC(C)Oc1cc(C(=O)[O-])cc(NC(=O)c2nc3c(s2)CN(C(C)C)CC3)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000073167578 562734643 /nfs/dbraw/zinc/73/46/43/562734643.db2.gz SULHJUGXVUMGKO-UHFFFAOYSA-N -1 0 585.126 5.872 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1Oc1ccccc1 ZINC000073197378 562735335 /nfs/dbraw/zinc/73/53/35/562735335.db2.gz YZDQNINSCSKGTL-ZAUHYAHVSA-N -1 0 535.750 8.157 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)NCCCC(=O)[O-])c(OC(C)C)c1 ZINC000073199239 562736001 /nfs/dbraw/zinc/73/60/01/562736001.db2.gz ZEFVVQVBCRYOMX-IZLXSDGUSA-N -1 0 584.500 6.908 1 0 KKAFRM Cn1c(SCCC(=O)[O-])nc2c1c(Br)c(Br)c(Br)c2Br ZINC000073200495 562736129 /nfs/dbraw/zinc/73/61/29/562736129.db2.gz LBSTUABAERLLQZ-UHFFFAOYSA-N -1 0 551.880 5.190 1 0 KKAFRM Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/c1ccco1)[C@H](C(=O)[O-])C2 ZINC000073220986 562736291 /nfs/dbraw/zinc/73/62/91/562736291.db2.gz GKXOVFPDQXHHIG-ANYWBABBSA-N -1 0 518.610 5.698 1 0 KKAFRM Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/c1cccs1)[C@H](C(=O)[O-])C2 ZINC000073220987 562736294 /nfs/dbraw/zinc/73/62/94/562736294.db2.gz HHURHDYWBZEIPI-ANYWBABBSA-N -1 0 534.678 6.167 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000073275740 562737263 /nfs/dbraw/zinc/73/72/63/562737263.db2.gz RZHJGXXCTIXCRI-AUVKVVEFSA-N -1 0 618.855 8.032 1 0 KKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(OC(=O)NCCN3CCOCC3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000073293908 562737582 /nfs/dbraw/zinc/73/75/82/562737582.db2.gz WXXZEXHUVJLZBC-FPYGCLRLSA-N -1 0 530.665 5.340 1 0 KKAFRM COc1cccc([C@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000073312483 562737899 /nfs/dbraw/zinc/73/78/99/562737899.db2.gz SUUVNWCZSXLJOX-YTTGMZPUSA-N -1 0 599.709 6.699 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3cccc(Cl)c3)ccc2c1 ZINC000073312477 562737910 /nfs/dbraw/zinc/73/79/10/562737910.db2.gz HBFYNAWTDNJGSA-WJOKGBTCSA-N -1 0 604.128 7.344 1 0 KKAFRM C[C@@H](O)[C@@H](C(=O)[O-])n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000082136082 562738936 /nfs/dbraw/zinc/73/89/36/562738936.db2.gz FPBTWIVPYYOXID-SJIOWJNLSA-N -1 0 723.823 5.499 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cc6ccccc6[nH]5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137932 562739038 /nfs/dbraw/zinc/73/90/38/562739038.db2.gz RNNNYOOHLXYBRY-UHFFFAOYSA-N -1 0 647.841 9.364 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3cccc(C(F)(F)F)n3)cc2)nc1 ZINC000082138073 562739177 /nfs/dbraw/zinc/73/91/77/562739177.db2.gz JHOYRZAAKYTOSC-UHFFFAOYSA-N -1 0 661.790 9.597 1 0 KKAFRM CC(C)CCN(Cc1ccc(CC(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000082153703 562740219 /nfs/dbraw/zinc/74/02/19/562740219.db2.gz IQCHXGCHSBCDPT-UHFFFAOYSA-N -1 0 523.517 8.071 1 0 KKAFRM CCCCCS(=O)(=O)[N-]C(=O)CCc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl ZINC000082154355 562740328 /nfs/dbraw/zinc/74/03/28/562740328.db2.gz IPYAJJNEUSJMKM-UHFFFAOYSA-N -1 0 508.471 5.474 1 0 KKAFRM O=C1CS[C@@]2(CC(/C=C/c3ccccc3Br)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000082191078 562742686 /nfs/dbraw/zinc/74/26/86/562742686.db2.gz PVIXJDRMHMEFJV-JYSHFMIGSA-N -1 0 627.567 6.019 1 0 KKAFRM CC(C)=CCC1(CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C(=O)c2oc3cc4c(c(=O)c-3c([O-])c21)C=CC(C)(C)O4 ZINC000084617164 562744757 /nfs/dbraw/zinc/74/47/57/562744757.db2.gz JSDUZPVYJLXUCC-MGBGTMOVSA-N -1 0 546.660 6.486 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ccccc4CCC3)CCCC2)cc1 ZINC000084633307 562745711 /nfs/dbraw/zinc/74/57/11/562745711.db2.gz RQNHTGLJEAVRAO-LTGZKZEYSA-N -1 0 615.774 8.081 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000084652123 562746409 /nfs/dbraw/zinc/74/64/09/562746409.db2.gz ZNFRITHWVZXJRK-YHFBEQRYSA-N -1 0 618.852 5.058 1 0 in-vitro KKAFRM Cn1cc(-c2sc3c(-c4cccc(C(F)(F)F)c4)c(Cc4cccc5ccccc54)cc(=O)n3c2C(=O)[O-])nn1 ZINC000084652367 562746486 /nfs/dbraw/zinc/74/64/86/562746486.db2.gz IIUQFYHMPTUGEG-UHFFFAOYSA-N -1 0 560.557 6.285 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1c(F)cccc1Cl)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084653524 562746907 /nfs/dbraw/zinc/74/69/07/562746907.db2.gz QOVKJGDSVKTSFY-XMMPIXPASA-N -1 0 596.067 8.778 1 0 KKAFRM CN1CCCCCNC(=O)Cn2c3cc(ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)C(=O)[N-]S1(=O)=O ZINC000084654602 562747322 /nfs/dbraw/zinc/74/73/22/562747322.db2.gz HVXZLGHQNURVNE-UHFFFAOYSA-N -1 0 571.143 5.791 1 0 KKAFRM CN1CCOCCN(C)S(=O)(=O)[N-]C(=O)c2ccc3c(c2)n2c(c3C3CCCCC3)-c3ccc(Cl)cc3C=C(C2)C1=O ZINC000084655333 562747465 /nfs/dbraw/zinc/74/74/65/562747465.db2.gz KATZIGDCADSZBD-UHFFFAOYSA-N -1 0 611.164 5.376 1 0 KKAFRM CC(C)N(Cc1ccccc1OCCCCCC(=O)[O-])C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000084668748 562747751 /nfs/dbraw/zinc/74/77/51/562747751.db2.gz FIOCTQDAXCGRSN-UHFFFAOYSA-N -1 0 503.595 6.157 1 0 KKAFRM CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000084688674 562749226 /nfs/dbraw/zinc/74/92/26/562749226.db2.gz BTIJKFCQUAULPU-YEPCPMPXSA-N -1 0 534.480 6.652 1 0 KKAFRM O=C(OC(CCCc1cccnc1)CCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC000084708824 562750253 /nfs/dbraw/zinc/75/02/53/562750253.db2.gz FRPMNTASMHQFOR-MHZLTWQESA-N -1 0 606.572 5.990 1 0 KKAFRM Nc1cc(C(=O)[O-])ccc1Cn1cc(-c2ccc(-c3ccccc3COc3cc(C(F)(F)F)ccc3Cl)cc2)nn1 ZINC000084710800 562750561 /nfs/dbraw/zinc/75/05/61/562750561.db2.gz DUVVFBOQWLMGGT-UHFFFAOYSA-N -1 0 578.978 7.192 1 0 KKAFRM O=C([O-])CCCSCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(-c2nc3ccccc3s2)c1 ZINC000084713226 562750874 /nfs/dbraw/zinc/75/08/74/562750874.db2.gz MBXTUZPAKYZNMZ-PNXDNICKSA-N -1 0 510.681 5.012 1 0 KKAFRM CCc1cc(C)c(Oc2c(I)c(C)c(CC(=O)[O-])c(C)c2I)c(C)c1I ZINC000084740805 562752090 /nfs/dbraw/zinc/75/20/90/562752090.db2.gz UHMJQVVNIMXHBM-UHFFFAOYSA-N -1 0 690.097 6.716 1 0 KKAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4s3)c2)n1 ZINC000084725667 562751301 /nfs/dbraw/zinc/75/13/01/562751301.db2.gz COBKGDMIGLRUQR-CNIPWFDFSA-N -1 0 586.160 6.014 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Sc1ccc(OCC(=O)[O-])c(C)c1)C(c1ccccc1)c1ccccc1 ZINC000084726561 562751308 /nfs/dbraw/zinc/75/13/08/562751308.db2.gz PDWRXBMAHCWIFE-JGCGQSQUSA-N -1 0 619.730 9.575 1 0 KKAFRM Cc1c(Cl)c(OCCCS(C)(=O)=O)c(Cl)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084756803 562752271 /nfs/dbraw/zinc/75/22/71/562752271.db2.gz LEQBIYIYFWBWEQ-OAQYLSRUSA-N -1 0 593.525 6.620 1 0 KKAFRM Cc1c(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000084758858 562752785 /nfs/dbraw/zinc/75/27/85/562752785.db2.gz GFVOQEVMYOQLDZ-UHFFFAOYSA-N -1 0 568.888 7.067 1 0 KKAFRM Cc1nnc(-c2cccc(-c3ccc(C(=O)N(Cc4cccc(OCCCCCC(=O)[O-])c4)C(C)C)cc3)c2)o1 ZINC000084759205 562752835 /nfs/dbraw/zinc/75/28/35/562752835.db2.gz HUOCOHRDUHIEFC-UHFFFAOYSA-N -1 0 541.648 6.787 1 0 KKAFRM CC(=O)Nc1cccc(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084759367 562752912 /nfs/dbraw/zinc/75/29/12/562752912.db2.gz WOUCURIWYLSWSY-UHFFFAOYSA-N -1 0 516.638 6.387 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000084759439 562752935 /nfs/dbraw/zinc/75/29/35/562752935.db2.gz SOUNLXQXOAZRCN-UHFFFAOYSA-N -1 0 638.786 7.620 1 0 KKAFRM COc1cc(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(=O)[O-] ZINC000085978390 562753452 /nfs/dbraw/zinc/75/34/52/562753452.db2.gz DRJGKQRTLCMIRQ-UHFFFAOYSA-N -1 0 552.576 5.411 1 0 KKAFRM COc1ccc(Cc2nc(-c3cc(Br)c([O-])c(Br)c3)c[nH]c2=O)cc1Br ZINC000095595272 562776669 /nfs/dbraw/zinc/77/66/69/562776669.db2.gz WFNFQDPFYHHLBR-UHFFFAOYSA-N -1 0 545.025 5.029 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000095542310 562756645 /nfs/dbraw/zinc/75/66/45/562756645.db2.gz VITFWETUDKTLHA-WOFUPGFCSA-N -1 0 756.837 5.992 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@H]2NC(=O)Cc2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)cc1 ZINC000095542792 562756833 /nfs/dbraw/zinc/75/68/33/562756833.db2.gz YCHLGKGFYJXLEH-MJPWBCPGSA-N -1 0 801.858 7.768 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@@H]2NC(=O)CCc2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)cc1 ZINC000095542802 562756857 /nfs/dbraw/zinc/75/68/57/562756857.db2.gz QHNMMWOCJGIECZ-GWRSVMHXSA-N -1 0 815.885 8.158 1 0 KKAFRM CC(=O)N1[C@H](C)CN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000095543457 562757252 /nfs/dbraw/zinc/75/72/52/562757252.db2.gz DQBLELUNCAAOGV-RNPORBBMSA-N -1 0 771.380 6.655 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@@H](OCc1ccccc1)c1ccccc1 ZINC000095553881 562761099 /nfs/dbraw/zinc/76/10/99/562761099.db2.gz OAQVXPDJWTUUIO-MPQUPPDSSA-N -1 0 612.726 6.713 1 0 KKAFRM CC(C)(C)C(=O)COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)nn1-c1ccccc1F ZINC000095554597 562761321 /nfs/dbraw/zinc/76/13/21/562761321.db2.gz WDUCEUQXQWCDDS-SFHVURJKSA-N -1 0 536.387 5.258 1 0 KKAFRM CN(Cc1ccc(F)cc1)C(=O)[C@@H](NC(=O)c1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(C)(C)C(=O)[O-])cc3)ccc2c1)c1ccccc1 ZINC000095560783 562763150 /nfs/dbraw/zinc/76/31/50/562763150.db2.gz CCYQZEHMKVWDMK-LHEWISCISA-N -1 0 708.790 7.785 1 0 KKAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000095561111 562763265 /nfs/dbraw/zinc/76/32/65/562763265.db2.gz GKJDKQMSFOKPDW-CHTRVWELSA-N -1 0 541.648 5.262 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000095569777 562767638 /nfs/dbraw/zinc/76/76/38/562767638.db2.gz ICBJLKWXHKHTJB-RPWUZVMVSA-N -1 0 536.864 6.843 3 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)cn1 ZINC000095571703 562769224 /nfs/dbraw/zinc/76/92/24/562769224.db2.gz MWECOJPTMTVKGA-UHFFFAOYSA-N -1 0 591.712 6.543 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(COCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095572512 562769421 /nfs/dbraw/zinc/76/94/21/562769421.db2.gz PVYONNKWQLSIMS-WDCWYOMISA-N -1 0 504.752 7.834 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccc(C(F)(F)F)cn1 ZINC000095573422 562769694 /nfs/dbraw/zinc/76/96/94/562769694.db2.gz PHIZXHOXLLJAAY-LICLKQGHSA-N -1 0 644.694 7.696 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3cocn3)c4C3CCCC3)ccc21 ZINC000095573942 562769823 /nfs/dbraw/zinc/76/98/23/562769823.db2.gz BTWKTAXTKIWYHE-UHFFFAOYSA-N -1 0 567.646 5.828 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1cscn1 ZINC000095574548 562769990 /nfs/dbraw/zinc/76/99/90/562769990.db2.gz LBOZDCFRIMBQPD-XNTDXEJSSA-N -1 0 582.726 6.739 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)cn1 ZINC000095575863 562770478 /nfs/dbraw/zinc/77/04/78/562770478.db2.gz WKRSPHQOLLBCRU-UHFFFAOYSA-N -1 0 607.711 6.244 1 0 KKAFRM CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)cs1 ZINC000095576353 562770626 /nfs/dbraw/zinc/77/06/26/562770626.db2.gz YCPLFAZGSOVAEJ-UHFFFAOYSA-N -1 0 638.794 6.507 1 0 KKAFRM COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)n1 ZINC000095577015 562770810 /nfs/dbraw/zinc/77/08/10/562770810.db2.gz CMZQYTYRDGWPHJ-UHFFFAOYSA-N -1 0 607.711 6.244 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ncccn1 ZINC000095577114 562770850 /nfs/dbraw/zinc/77/08/50/562770850.db2.gz SEVJTVIAZNVASH-LFIBNONCSA-N -1 0 551.647 5.538 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4nccs4)c5C4CCCC4)CCC3)ccc21 ZINC000095577630 562771019 /nfs/dbraw/zinc/77/10/19/562771019.db2.gz SRLLJLMQCBUZFY-UHFFFAOYSA-N -1 0 595.725 6.441 1 0 KKAFRM COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4Br)cc3)C2)cc1OC ZINC000095577814 562771128 /nfs/dbraw/zinc/77/11/28/562771128.db2.gz SWKBDLZGOWTUQK-JOCHJYFZSA-N -1 0 626.451 5.984 1 0 KKAFRM Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)n1 ZINC000095578500 562771281 /nfs/dbraw/zinc/77/12/81/562771281.db2.gz KBTPSYQGFAMRCQ-XMHGGMMESA-N -1 0 590.724 6.985 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cn1 ZINC000095578744 562771362 /nfs/dbraw/zinc/77/13/62/562771362.db2.gz DSQHZRQDKSGPJS-CXUHLZMHSA-N -1 0 597.115 6.940 1 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cn1 ZINC000095579188 562771487 /nfs/dbraw/zinc/77/14/87/562771487.db2.gz XRPXMNGBROYOOS-LDADJPATSA-N -1 0 564.686 6.451 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccncc1 ZINC000095579328 562771531 /nfs/dbraw/zinc/77/15/31/562771531.db2.gz KITWNCNNLXKYNW-NTEUORMPSA-N -1 0 562.670 6.287 1 0 KKAFRM COc1cc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)ccc1OCc1ccccc1 ZINC000095580631 562771890 /nfs/dbraw/zinc/77/18/90/562771890.db2.gz RYZLDYVLOGAVOP-UHFFFAOYSA-N -1 0 557.622 5.084 1 0 KKAFRM O=S(=O)([N-]c1ncccn1)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095581842 562772344 /nfs/dbraw/zinc/77/23/44/562772344.db2.gz ZLHJMXHMXZOSQL-UHFFFAOYSA-N -1 0 541.870 5.218 1 0 KKAFRM Cc1nn(C(C)(C)C)cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2nncs2)cc1Cl ZINC000095583502 562772903 /nfs/dbraw/zinc/77/29/03/562772903.db2.gz FYGSMFDAKDGORX-UHFFFAOYSA-N -1 0 556.472 6.504 1 0 KKAFRM CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3nccs3)c(F)c2)cc1 ZINC000095584796 562773393 /nfs/dbraw/zinc/77/33/93/562773393.db2.gz QNNMJOOJAPCIAA-UHFFFAOYSA-N -1 0 540.564 6.513 1 0 KKAFRM Cc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2nncs2)cc1Cl ZINC000095584995 562773446 /nfs/dbraw/zinc/77/34/46/562773446.db2.gz YLOJQKVSFRGMAF-UHFFFAOYSA-N -1 0 500.364 5.276 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)c(F)c1 ZINC000095584992 562773457 /nfs/dbraw/zinc/77/34/57/562773457.db2.gz GDTJKAHFKGQHOB-UHFFFAOYSA-N -1 0 500.455 5.164 1 0 KKAFRM CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c[n+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000095586577 562773979 /nfs/dbraw/zinc/77/39/79/562773979.db2.gz RYWXIGJDHPSFGU-UHFFFAOYSA-O -1 0 545.659 6.945 1 0 KKAFRM CC(C)c1nc(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1 ZINC000095587121 562774203 /nfs/dbraw/zinc/77/42/03/562774203.db2.gz PVKSJSXGNNYYHL-UHFFFAOYSA-N -1 0 611.693 5.065 1 0 KKAFRM CCCc1oc(=O)c([C@@H](c2ccccc2)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c([O-])c1C(C)C ZINC000095588778 562774739 /nfs/dbraw/zinc/77/47/39/562774739.db2.gz OIBBWFLGWHQBFZ-DEOSSOPVSA-N -1 0 520.622 6.430 1 0 KKAFRM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1 ZINC000095590154 562775161 /nfs/dbraw/zinc/77/51/61/562775161.db2.gz QKTOTGBNJWCMHA-UHFFFAOYSA-N -1 0 506.194 6.491 1 0 KKAFRM COc1ccc(-n2c(-c3cccc(Cl)c3)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000095598388 562777408 /nfs/dbraw/zinc/77/74/08/562777408.db2.gz IOEFLHVMYLYTBE-UHFFFAOYSA-N -1 0 661.159 5.999 1 0 KKAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599661 562778239 /nfs/dbraw/zinc/77/82/39/562778239.db2.gz KOGXUCMRWOSHRU-BHWWUXGHSA-N -1 0 753.841 6.070 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000095602189 562779928 /nfs/dbraw/zinc/77/99/28/562779928.db2.gz AOMAGJKZRYWVSR-KAYWLYCHSA-N -1 0 666.576 5.935 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CN6CCCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095604954 562781275 /nfs/dbraw/zinc/78/12/75/562781275.db2.gz FXLALHXTQMVHBG-IGXJBCQUSA-N -1 0 567.855 7.880 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccccc1C(F)(F)F ZINC000095605997 562781823 /nfs/dbraw/zinc/78/18/23/562781823.db2.gz TZBLCBAJUNYMKJ-FNNXTJRKSA-N -1 0 801.259 7.564 1 0 KKAFRM C/C(=C\c1ccccc1)C(=O)N1Cc2c(cc(I)c(OCC(=O)OCc3ccccc3)c2I)C[C@H]1C(=O)[O-] ZINC000095606042 562781850 /nfs/dbraw/zinc/78/18/50/562781850.db2.gz RVWDCZFOTQTACI-VHFIJRQBSA-N -1 0 737.328 5.459 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccccc1F ZINC000095606073 562781889 /nfs/dbraw/zinc/78/18/89/562781889.db2.gz ZSYZBBRMTZYOJB-FNNXTJRKSA-N -1 0 751.252 6.684 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000095606070 562781905 /nfs/dbraw/zinc/78/19/05/562781905.db2.gz PJGGYWJWWIBTBH-XMGLVOBQSA-N -1 0 813.051 7.595 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)CCc1ccccc1 ZINC000095612064 562785243 /nfs/dbraw/zinc/78/52/43/562785243.db2.gz AAARWQMITASDEF-QFIPXVFZSA-N -1 0 736.171 6.752 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(Cc3ccccc3)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000095610109 562784211 /nfs/dbraw/zinc/78/42/11/562784211.db2.gz HKYHDYGVHADEEB-WJSRYLCYSA-N -1 0 823.905 8.392 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000095612210 562785351 /nfs/dbraw/zinc/78/53/51/562785351.db2.gz MEXPMDYFVYHWDK-OUZREKFBSA-N -1 0 767.707 7.198 1 0 KKAFRM COc1ccc(NC(=O)Nc2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000095612337 562785427 /nfs/dbraw/zinc/78/54/27/562785427.db2.gz LZFKHGMOYUQWQX-UHFFFAOYSA-N -1 0 731.203 6.917 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2c(F)cccc2C(F)(F)F)cc1 ZINC000095613265 562786169 /nfs/dbraw/zinc/78/61/69/562786169.db2.gz IRFDUVRJCAYKSN-UHFFFAOYSA-N -1 0 749.226 9.485 1 0 KKAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095613557 562786388 /nfs/dbraw/zinc/78/63/88/562786388.db2.gz UAATUVIJOYTBES-LAYWZVSPSA-N -1 0 769.940 5.316 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000095614937 562786948 /nfs/dbraw/zinc/78/69/48/562786948.db2.gz VKPHWFXNWCJBQI-UHFFFAOYSA-N -1 0 741.309 9.440 1 0 KKAFRM Nc1c(I)cc(I)c(CCCCCCCCCCCCCCCCC(=O)[O-])c1I ZINC000095615389 562787286 /nfs/dbraw/zinc/78/72/86/562787286.db2.gz QKKFWPUQMZZFGH-UHFFFAOYSA-N -1 0 739.258 8.561 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)c1coc(-c2ccccc2)n1 ZINC000095617163 562787888 /nfs/dbraw/zinc/78/78/88/562787888.db2.gz KXSRSRAHXNZCDF-YDAXCOIMSA-N -1 0 772.862 5.648 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCCOc3cc(O)cc(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617290 562787944 /nfs/dbraw/zinc/78/79/44/562787944.db2.gz HBQUNHIQUSSQEJ-IQEGRXIQSA-N -1 0 795.798 5.106 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1C)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169967 562790959 /nfs/dbraw/zinc/79/09/59/562790959.db2.gz GLUCYKDFIXKQAT-UHFFFAOYSA-N -1 0 608.676 5.458 1 0 KKAFRM COC(=O)c1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])c1 ZINC000096171964 562791215 /nfs/dbraw/zinc/79/12/15/562791215.db2.gz KFMRFNZUQPOOLX-PGMATYEBSA-N -1 0 654.845 5.168 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2C=CCCC2)c2nc(C)nn21 ZINC000096178232 562792549 /nfs/dbraw/zinc/79/25/49/562792549.db2.gz HLQOHQQUMWIGJL-QFIPXVFZSA-N -1 0 522.609 5.034 1 0 KKAFRM COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000096258547 562792856 /nfs/dbraw/zinc/79/28/56/562792856.db2.gz RYTIHZLGOCXTHP-PMERELPUSA-N -1 0 629.691 5.184 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269888 562793079 /nfs/dbraw/zinc/79/30/79/562793079.db2.gz TVHKXQSOYHVKFL-PIIWDFAUSA-N -1 0 570.635 5.386 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2cc([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])ccc2F)c(Cl)c1 ZINC000096269876 562793081 /nfs/dbraw/zinc/79/30/81/562793081.db2.gz ASZJCGOCZYMHMB-CRYYWNKWSA-N -1 0 577.026 5.423 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(CC[C@H]3C(=O)[O-])CC4)cc2C2=CCCC2(C)C)c1 ZINC000096270302 562793171 /nfs/dbraw/zinc/79/31/71/562793171.db2.gz GACANMOEVWBAEQ-ZBWWXOROSA-N -1 0 526.648 7.962 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(C[C@H]3C(=O)[O-])CCC4)cc2[C@@H]2CCCC2(C)C)c1 ZINC000096270318 562793177 /nfs/dbraw/zinc/79/31/77/562793177.db2.gz RJWYFXKYHYTDFQ-BVRIVJPRSA-N -1 0 528.664 8.053 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccc3ccccc3c2)=NO1 ZINC000096271093 562793685 /nfs/dbraw/zinc/79/36/85/562793685.db2.gz JEESWEGVVIPPAQ-VVFBEHOQSA-N -1 0 590.463 6.094 1 0 KKAFRM CCCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283226 562794820 /nfs/dbraw/zinc/79/48/20/562794820.db2.gz SBGPSRWNLMHHLS-UHFFFAOYSA-N -1 0 555.635 5.394 1 0 KKAFRM CCNc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283217 562794839 /nfs/dbraw/zinc/79/48/39/562794839.db2.gz DKSGJHUZOLTNAI-UHFFFAOYSA-N -1 0 540.624 5.037 1 0 KKAFRM COc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000096283772 562794954 /nfs/dbraw/zinc/79/49/54/562794954.db2.gz QNLIRFLPSBBJCO-DEOSSOPVSA-N -1 0 529.980 5.400 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283777 562794968 /nfs/dbraw/zinc/79/49/68/562794968.db2.gz IHNSNZJIQWYGDN-HSZRJFAPSA-N -1 0 517.944 5.530 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283776 562794977 /nfs/dbraw/zinc/79/49/77/562794977.db2.gz IHNSNZJIQWYGDN-QHCPKHFHSA-N -1 0 517.944 5.530 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(F)c(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283802 562794982 /nfs/dbraw/zinc/79/49/82/562794982.db2.gz YFVINFKRLLLEJX-QHCPKHFHSA-N -1 0 535.934 5.669 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000096283823 562794991 /nfs/dbraw/zinc/79/49/91/562794991.db2.gz SOPHVPQRNMCHGC-HSZRJFAPSA-N -1 0 623.301 6.263 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000096283818 562795001 /nfs/dbraw/zinc/79/50/01/562795001.db2.gz GYEBBZMDOQJNMV-QHCPKHFHSA-N -1 0 562.395 5.639 1 0 KKAFRM O=C([O-])/C=C/C(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000096283797 562795003 /nfs/dbraw/zinc/79/50/03/562795003.db2.gz YZCGJYOVAJDRRN-MDRMPYQZSA-N -1 0 576.834 5.930 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284637 562795204 /nfs/dbraw/zinc/79/52/04/562795204.db2.gz RFFMBRZGYDMXCL-UHFFFAOYSA-N -1 0 720.688 7.397 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cc(F)c(F)c(F)c2F)cc1 ZINC000096284659 562795245 /nfs/dbraw/zinc/79/52/45/562795245.db2.gz WBWDRBCALQWQEY-UHFFFAOYSA-N -1 0 698.735 7.427 1 0 KKAFRM Cc1cccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000096284644 562795250 /nfs/dbraw/zinc/79/52/50/562795250.db2.gz NOHLTXQEHJKMEP-UHFFFAOYSA-N -1 0 716.725 7.566 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000096284690 562795257 /nfs/dbraw/zinc/79/52/57/562795257.db2.gz DQHAOPWVXKORDM-UHFFFAOYSA-N -1 0 694.772 7.890 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(Cl)cc2)cc1 ZINC000096284674 562795280 /nfs/dbraw/zinc/79/52/80/562795280.db2.gz DPWINCYCGCAUMT-UHFFFAOYSA-N -1 0 661.220 7.524 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)NCCC(=O)[O-])cc2)cc1 ZINC000096903278 562797877 /nfs/dbraw/zinc/79/78/77/562797877.db2.gz MSLCZXYSBUHHTA-UHFFFAOYSA-N -1 0 629.779 6.279 1 0 KKAFRM C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c6cc(Cl)ccc6[nH]c5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096903771 562798023 /nfs/dbraw/zinc/79/80/23/562798023.db2.gz VVINMQGOLOMDHU-VBCJENCYSA-N -1 0 633.317 9.226 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000096904610 562798395 /nfs/dbraw/zinc/79/83/95/562798395.db2.gz HGMVESCHSMFWDD-ITHXAEMLSA-N -1 0 568.795 7.060 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCC(=O)[O-])C3 ZINC000096906053 562798660 /nfs/dbraw/zinc/79/86/60/562798660.db2.gz FPIRLVULBBLSFQ-DMUAIITOSA-N -1 0 537.785 8.685 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2cncnc2)cc1 ZINC000096909582 562799591 /nfs/dbraw/zinc/79/95/91/562799591.db2.gz ITYBCMRFJIYOET-AREMUKBSSA-N -1 0 509.606 5.348 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2cccs2)cc1 ZINC000096909576 562799612 /nfs/dbraw/zinc/79/96/12/562799612.db2.gz CUZASPYQOLPJNO-AREMUKBSSA-N -1 0 513.659 6.620 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ccccn2)cc1 ZINC000096909577 562799616 /nfs/dbraw/zinc/79/96/16/562799616.db2.gz VNLGDGQUSNZZGB-HHHXNRCGSA-N -1 0 508.618 5.953 1 0 KKAFRM CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4c(Br)cc(Br)c([O-])c4Br)O[C@@]1(C3)O2 ZINC000096910114 562799838 /nfs/dbraw/zinc/79/98/38/562799838.db2.gz BJGWWCQYDASCGW-PIZKIHOPSA-N -1 0 727.281 6.083 1 0 KKAFRM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000096929976 562803157 /nfs/dbraw/zinc/80/31/57/562803157.db2.gz HCJHRSNQBXHLCY-STUOVWTLSA-N -1 0 816.913 9.741 1 0 KKAFRM CCCc1nc2c(cc(NC(=O)CCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935321 562804076 /nfs/dbraw/zinc/80/40/76/562804076.db2.gz PWVCJTQDCHXRDQ-UHFFFAOYSA-N -1 0 531.656 7.282 1 0 KKAFRM CCCc1nc2c(cc(NC(=O)Cc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935320 562804080 /nfs/dbraw/zinc/80/40/80/562804080.db2.gz UPPRCSHSYLSOJN-UHFFFAOYSA-N -1 0 517.629 6.892 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000098208833 562806030 /nfs/dbraw/zinc/80/60/30/562806030.db2.gz ISYAJDFASPMBOB-HHHXNRCGSA-N -1 0 514.666 5.882 1 0 in-vitro KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@H](Oc3ccc(OC)cc3)CC2)c2ncnn21 ZINC000100638668 562807203 /nfs/dbraw/zinc/80/72/03/562807203.db2.gz BGRYAYPJEJBYCT-LDNJAJMQSA-N -1 0 632.721 6.016 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c1)C1CC1)CCCCCC2 ZINC000100763207 562807651 /nfs/dbraw/zinc/80/76/51/562807651.db2.gz FAFWJMDLRZFXKD-XMMPIXPASA-N -1 0 563.594 6.246 1 0 KKAFRM CCCCc1cccc([C@]2([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c1 ZINC000101004706 562808647 /nfs/dbraw/zinc/80/86/47/562808647.db2.gz AUSMSARLDRBCDW-FJQKOURKSA-N -1 0 617.121 6.141 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(Nc4c(=O)c(=O)c4NCc4ccccc4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000101151705 562809557 /nfs/dbraw/zinc/80/95/57/562809557.db2.gz JMDHBQUXJDLQSP-LJAQVGFWSA-N -1 0 623.731 5.205 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)CCc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000101166016 562809565 /nfs/dbraw/zinc/80/95/65/562809565.db2.gz QHCGNKBBKFIGSV-SANMLTNESA-N -1 0 507.652 5.531 1 0 KKAFRM Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@H]3CC[C@H](C(=O)[O-])CC3)cc2o1 ZINC000101191446 562809763 /nfs/dbraw/zinc/80/97/63/562809763.db2.gz CTRIJHIVZHRDHX-MYGLTJDJSA-N -1 0 509.578 5.021 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](Nc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101205052 562809976 /nfs/dbraw/zinc/80/99/76/562809976.db2.gz URZCVPKXOJQTLC-BZZHFGAJSA-N -1 0 602.597 6.803 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](COc2ccccc2Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)CC1 ZINC000101208428 562809994 /nfs/dbraw/zinc/80/99/94/562809994.db2.gz AXSOGTWJBSDWJQ-WZEPYWGYSA-N -1 0 617.608 7.017 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](Oc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101209458 562810008 /nfs/dbraw/zinc/81/00/08/562810008.db2.gz WBSXKVRTVMHGNY-BZZHFGAJSA-N -1 0 603.581 6.770 1 0 KKAFRM C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000101337560 562810338 /nfs/dbraw/zinc/81/03/38/562810338.db2.gz LOXTXYPNYNYQRX-CFNZNRNTSA-N -1 0 569.388 5.579 1 0 KKAFRM C[C@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000101337541 562810349 /nfs/dbraw/zinc/81/03/49/562810349.db2.gz YVXKHYTZGSDYFM-XYYIANASSA-N -1 0 584.308 6.469 1 0 KKAFRM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Oc2c(Cl)cc(Nc3c([O-])c(=O)c3=O)cc2Cl)ccc1O ZINC000101622498 562811407 /nfs/dbraw/zinc/81/14/07/562811407.db2.gz SBZWZDRBJMPDFB-UHFFFAOYSA-N -1 0 543.403 5.235 1 0 KKAFRM CC(=O)Nc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2F)cc1 ZINC000101807815 562812212 /nfs/dbraw/zinc/81/22/12/562812212.db2.gz CJJVISKORVMLIM-UHFFFAOYSA-N -1 0 501.543 5.059 1 0 KKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C([O-])=C(C(=O)OC)S(=O)(=O)c4ccccc4)cc3OC)c2c1 ZINC000102199316 562812910 /nfs/dbraw/zinc/81/29/10/562812910.db2.gz VUJSISZEBJKNLY-JPQMRUPTSA-N -1 0 618.752 6.051 1 0 KKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C([O-])=C(C(=O)OC)S(=O)(=O)c4ccccc4)cc3OC)c2c1 ZINC000102199308 562812916 /nfs/dbraw/zinc/81/29/16/562812916.db2.gz VUJSISZEBJKNLY-UDNBHOFDSA-N -1 0 618.752 6.051 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000102226849 562812947 /nfs/dbraw/zinc/81/29/47/562812947.db2.gz CMIDXRRKZXDMQP-WJOKGBTCSA-N -1 0 569.723 6.942 1 0 KKAFRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(N(CCc1ccccc1)C1=NC[C@H](C)S1)(C(F)(F)F)C(F)(F)F ZINC000102939849 562813627 /nfs/dbraw/zinc/81/36/27/562813627.db2.gz NMHAUEGEWDUFAM-INIZCTEOSA-N -1 0 542.549 5.830 1 0 KKAFRM COc1c(NC(=O)[C@H]2CC[C@H](COc3ccccc3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000103029579 562814080 /nfs/dbraw/zinc/81/40/80/562814080.db2.gz VPSXNGQDJWCZIZ-CALCHBBNSA-N -1 0 508.546 5.006 1 0 KKAFRM COc1ccc2[nH]c(-c3ccccc3)c([C@@H](c3c(C)[nH][nH]c3=O)c3c4cc(Cl)ccc4[nH]c3-c3ccccc3)c2c1 ZINC000103163049 562814573 /nfs/dbraw/zinc/81/45/73/562814573.db2.gz JCZGNBXWBWAIFS-IZEXYCQBSA-N -1 0 559.069 7.899 1 0 KKAFRM Cc1[nH][nH]c(=O)c1[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000103163057 562814580 /nfs/dbraw/zinc/81/45/80/562814580.db2.gz MARQXRRFXWDEPF-FIBWVYCGSA-N -1 0 529.043 7.890 1 0 KKAFRM COC(=O)C(=Cc1ccc(Br)cc1)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103170046 562814742 /nfs/dbraw/zinc/81/47/42/562814742.db2.gz CTDFMIIDZMOYMG-DZSAKIAFSA-N -1 0 538.419 5.849 1 0 KKAFRM COC(=O)C(=Cc1ccc(OC)c(OC)c1)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169841 562814768 /nfs/dbraw/zinc/81/47/68/562814768.db2.gz BBNFDTDTSRPMHT-BLJGQIRFSA-N -1 0 519.575 5.104 1 0 KKAFRM CCCn1nc(C2CC2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2ccccc2)cc1 ZINC000103188997 562815585 /nfs/dbraw/zinc/81/55/85/562815585.db2.gz FZYDKZAAWXSXIF-UHFFFAOYSA-N -1 0 515.635 5.927 1 0 KKAFRM Fc1ccc(Nc2nc([N-]c3nc(-c4ccc(Cl)cc4)cs3)nc(Nc3ccc(F)c(Cl)c3)n2)cc1Cl ZINC000103203165 562816229 /nfs/dbraw/zinc/81/62/29/562816229.db2.gz KGFIIEKQYSTAIH-UHFFFAOYSA-N -1 0 576.847 8.464 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(Br)cc1)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103207874 562816490 /nfs/dbraw/zinc/81/64/90/562816490.db2.gz VVGCPBNHQIEDIG-WWNGRIQCSA-N -1 0 566.473 6.629 1 0 KKAFRM CCCCc1nnc(Sc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103215770 562817079 /nfs/dbraw/zinc/81/70/79/562817079.db2.gz WXGYUPAPIWXHCM-UHFFFAOYSA-N -1 0 510.627 5.253 1 0 KKAFRM Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(-c2cccc(C(F)(F)F)c2)nn1CC(=O)[O-] ZINC000103238002 562819129 /nfs/dbraw/zinc/81/91/29/562819129.db2.gz YHLPFCXVIMKKRH-UHFFFAOYSA-N -1 0 514.525 5.386 1 0 KKAFRM Cc1ccc(-c2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(NC(=O)NCC(C)C)cc3)c2)c2ccccc12 ZINC000103239662 562819370 /nfs/dbraw/zinc/81/93/70/562819370.db2.gz ZMFHENUBGIGFHZ-UHFFFAOYSA-N -1 0 531.634 6.092 1 0 KKAFRM CC[C@]1(c2ccccc2)C[C@@H](c2cccc(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c2)Nc2ccc(C(N)=[NH2+])cc21 ZINC000103240963 562819523 /nfs/dbraw/zinc/81/95/23/562819523.db2.gz QCCBSIOLUVRTDM-GMCHKSTQSA-N -1 0 519.601 6.287 1 0 KKAFRM CCCN(C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])C(=O)c1cccc(-c2ccc3ccccc3c2)c1 ZINC000103242725 562819652 /nfs/dbraw/zinc/81/96/52/562819652.db2.gz KUNJUGULEPHOFA-NDEPHWFRSA-N -1 0 526.658 6.455 1 0 KKAFRM CCCN(C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])C(=O)c1cccc(-c2ccccc2Cl)c1 ZINC000103242710 562819666 /nfs/dbraw/zinc/81/96/66/562819666.db2.gz BGPZSTSGJMXPDW-DEOSSOPVSA-N -1 0 511.043 5.955 1 0 KKAFRM CC[C@@H](CNS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243815 562819689 /nfs/dbraw/zinc/81/96/89/562819689.db2.gz QGKMXIKHMXVVSS-ZJTSJXPUSA-N -1 0 583.578 6.028 1 0 KKAFRM C[C@@]1(Cc2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103256639 562820882 /nfs/dbraw/zinc/82/08/82/562820882.db2.gz YTAUKHWHPMKCFO-SSEXGKCCSA-N -1 0 513.569 5.448 1 0 KKAFRM CCCn1nc2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263774 562821799 /nfs/dbraw/zinc/82/17/99/562821799.db2.gz HXPLAMBXLGASEL-PMERELPUSA-N -1 0 531.656 7.283 1 0 KKAFRM COc1ncc(-c2ccc3nc(N)c(-c4ccccc4)cc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000103264470 562821928 /nfs/dbraw/zinc/82/19/28/562821928.db2.gz ISKUKBKBISOCEK-UHFFFAOYSA-N -1 0 518.545 5.634 1 0 KKAFRM CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]32C)[C@@H]2[C@H](C[C@H]1C(=O)[O-])[C@@](C)(O)CCC2(C)C ZINC000103268132 562822597 /nfs/dbraw/zinc/82/25/97/562822597.db2.gz HDFMYIGSNIBUQC-XNESUYKVSA-N -1 0 520.751 5.477 1 0 KKAFRM Cc1ccccc1C[C@H](NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000103285280 562823747 /nfs/dbraw/zinc/82/37/47/562823747.db2.gz UDOBAJKNMKKVRZ-SMGJSYKSSA-N -1 0 631.942 8.660 1 0 KKAFRM O=C([O-])C[C@@H](CC(=O)c1ccccc1)c1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000103285830 562823798 /nfs/dbraw/zinc/82/37/98/562823798.db2.gz KWGJDKZNOCGGBH-AREMUKBSSA-N -1 0 525.576 6.593 1 0 KKAFRM COc1cc(O)cc2c1C(=O)C[C@@H](c1ccc(O)c(-c3c([O-])cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)c1)O2 ZINC000103291072 562824185 /nfs/dbraw/zinc/82/41/85/562824185.db2.gz PENVZGWIOSIDJF-DEOSSOPVSA-N -1 0 554.507 5.370 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@H](Cc3c[nH]cn3)C(=O)[O-])CC[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 ZINC000103294851 562824449 /nfs/dbraw/zinc/82/44/49/562824449.db2.gz QXVCUMULLUFMAE-PAYIRBEASA-N -1 0 607.880 7.074 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])CC[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 ZINC000103296340 562824532 /nfs/dbraw/zinc/82/45/32/562824532.db2.gz YSNVQCLRFXMCCM-MQMCOEHGSA-N -1 0 617.915 8.351 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@H](Cc3ccccc3Cl)C(=O)[O-])CC[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 ZINC000103296405 562824537 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562827352 /nfs/dbraw/zinc/82/73/52/562827352.db2.gz JXGXXVNULDDODU-UHFFFAOYSA-N -1 0 544.017 7.057 1 0 KKAFRM O=C([O-])c1cncc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1 ZINC000115371707 562828835 /nfs/dbraw/zinc/82/88/35/562828835.db2.gz SBCKIOLJRVQMFK-PMACEKPBSA-N -1 0 555.845 8.123 1 0 KKAFRM O=C([O-])c1ccc([C@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cn1 ZINC000115371496 562828853 /nfs/dbraw/zinc/82/88/53/562828853.db2.gz WIPJMZDAHAGGLW-MOPGFXCFSA-N -1 0 555.845 8.123 1 0 KKAFRM O=C([O-])c1ccc([C@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000115372392 562828857 /nfs/dbraw/zinc/82/88/57/562828857.db2.gz XBUXXJUEBFDQHD-RTWAWAEBSA-N -1 0 554.857 8.728 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@](C)(OCC(C)(C)O)CC2)c2ncnn21 ZINC000115998748 562829122 /nfs/dbraw/zinc/82/91/22/562829122.db2.gz QHSLBCLRNKKZOX-BGTNAKSDSA-N -1 0 612.731 5.106 1 0 KKAFRM 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540.567 6.331 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCCc4ccc(C(=O)[O-])cc43)s2)c1 ZINC000141826911 562833762 /nfs/dbraw/zinc/83/37/62/562833762.db2.gz OAAHGOHRBPLONI-SANMLTNESA-N -1 0 540.567 6.331 1 0 KKAFRM Cc1cc(Nc2cc(OC3CCCCC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000141920341 562833797 /nfs/dbraw/zinc/83/37/97/562833797.db2.gz CADRNPXCAIYOFZ-WJOKGBTCSA-N -1 0 556.688 6.634 1 0 KKAFRM Cc1cc(Nc2cc(OC(C)(C)C)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000141968882 562833858 /nfs/dbraw/zinc/83/38/58/562833858.db2.gz FQIHMDJKBUZCET-GDLZYMKVSA-N -1 0 530.650 6.100 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(F)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142017341 562833876 /nfs/dbraw/zinc/83/38/76/562833876.db2.gz FKIWZVJJNZMMJR-VWLOTQADSA-N -1 0 528.531 6.919 1 0 KKAFRM O=C([O-])c1cncc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000142027551 562833890 /nfs/dbraw/zinc/83/38/90/562833890.db2.gz 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CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)CCCC(=O)[O-])[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150596380 562846711 /nfs/dbraw/zinc/84/67/11/562846711.db2.gz ZLSRNQGXOGMANP-RFQUWOGKSA-N -1 0 676.935 8.669 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2Br)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597060 562846751 /nfs/dbraw/zinc/84/67/51/562846751.db2.gz YBLXVFIZVFIJCK-UHFFFAOYSA-N -1 0 798.038 5.946 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(F)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000150599066 562847002 /nfs/dbraw/zinc/84/70/02/562847002.db2.gz PSOITMRLZWEHSO-UHFFFAOYSA-N -1 0 628.591 6.121 1 0 KKAFRM C=Cc1cc([C@@H]([NH3+])C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599566 562847026 /nfs/dbraw/zinc/84/70/26/562847026.db2.gz VJKQLVIYEIGYOL-WJOKGBTCSA-N -1 0 703.699 6.364 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600973 562847211 /nfs/dbraw/zinc/84/72/11/562847211.db2.gz BPHCFVNOQDUDLE-UMSFTDKQSA-N -1 0 803.816 7.930 1 0 KKAFRM CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1OCC1CC1 ZINC000150603139 562847411 /nfs/dbraw/zinc/84/74/11/562847411.db2.gz PHDZHEYWNQYONL-MHZLTWQESA-N -1 0 687.545 6.318 1 0 KKAFRM COc1ccc2c(c1)nc(-c1csc(NC(C)C)n1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCC[C@@H](NC(=O)OC3CCCC3)C(=O)N2C1 ZINC000150604316 562847634 /nfs/dbraw/zinc/84/76/34/562847634.db2.gz PJZPDFUUXKKDNB-CASYUCJVSA-N -1 0 774.941 6.053 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[O-])C[C@H]5/C=C\CCCCCCS(=O)(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150605798 562847789 /nfs/dbraw/zinc/84/77/89/562847789.db2.gz BIIXNNBFPDLKGT-QPRZKULMSA-N -1 0 682.865 5.430 1 0 KKAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)O[C@H]1C[C@H]2C[C@H]2C1)C(C)(C)C)C(=O)[O-] ZINC000150623256 562848902 /nfs/dbraw/zinc/84/89/02/562848902.db2.gz IFEMYEXLZRGBGN-CWRDFILJSA-N -1 0 811.402 6.498 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCCC(=O)[O-])CC1 ZINC000165276982 562850060 /nfs/dbraw/zinc/85/00/60/562850060.db2.gz NWHQFQGJSWFQRZ-YDYNHKSESA-N -1 0 756.766 6.996 1 0 in-vitro KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165396373 562850190 /nfs/dbraw/zinc/85/01/90/562850190.db2.gz CUKRBVUDSOAUBA-ZEJHTOEOSA-N -1 0 798.063 7.483 1 0 KKAFRM CNC(=O)N1C[C@]23CC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165404195 562850205 /nfs/dbraw/zinc/85/02/05/562850205.db2.gz XJEUVBZISYTMOY-IVXSNUSFSA-N -1 0 727.928 5.584 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165418550 562850255 /nfs/dbraw/zinc/85/02/55/562850255.db2.gz SEVOTKAKUMRGLF-MCEQXHFDSA-N -1 0 752.900 6.807 1 0 KKAFRM O=C([O-])C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)Oc1ccc2c(c1)CCC2 ZINC000166248715 562850385 /nfs/dbraw/zinc/85/03/85/562850385.db2.gz JAYBMUAHCCPDIQ-RUZDIDTESA-N -1 0 505.998 5.384 1 0 KKAFRM Cn1nc(C(F)(F)F)c(C(=O)NC2(c3ccc(C(=O)[O-])cc3)CC2)c1Oc1cccc(C(F)(F)F)c1 ZINC000166584098 562850429 /nfs/dbraw/zinc/85/04/29/562850429.db2.gz LEZDRMZGYSQUEQ-UHFFFAOYSA-N -1 0 513.394 5.367 1 0 KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)[O-])CC[C@]2(C)CC[C@]31C ZINC000169301808 562852969 /nfs/dbraw/zinc/85/29/69/562852969.db2.gz MAAVNXPPBHQXNL-KNHYRLKCSA-N -1 0 552.708 6.295 1 0 KKAFRM O=C([O-])c1ccccc1S(=O)(=O)Nc1cccc(-n2ccc3c2cccc3-c2ccc(C(F)(F)F)cc2)c1 ZINC000169307533 562853839 /nfs/dbraw/zinc/85/38/39/562853839.db2.gz HJADUZUHNRQUKM-UHFFFAOYSA-N -1 0 536.531 6.815 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307592 562853862 /nfs/dbraw/zinc/85/38/62/562853862.db2.gz NCNVGCDVSSOKED-UCXAEWMPSA-N -1 0 570.535 5.860 1 0 KKAFRM CC[C@@H](CN(c1ccccc1)S(=O)(=O)C1CC1)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307578 562853870 /nfs/dbraw/zinc/85/38/70/562853870.db2.gz WHKURRVXYSXLCV-JYLYBSOGSA-N -1 0 631.578 6.255 1 0 KKAFRM CC(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308627 562854169 /nfs/dbraw/zinc/85/41/69/562854169.db2.gz FSBBONLOFWXAIX-PGUFJCEWSA-N -1 0 731.795 7.433 1 0 KKAFRM COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308636 562854187 /nfs/dbraw/zinc/85/41/87/562854187.db2.gz HHAXKOIMODFUSE-QNGWXLTQSA-N -1 0 769.800 7.471 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309655 562854440 /nfs/dbraw/zinc/85/44/40/562854440.db2.gz IMXWFPHEMCUNGD-LIYLGVFKSA-N -1 0 663.689 7.446 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169310583 562854851 /nfs/dbraw/zinc/85/48/51/562854851.db2.gz NZNGFBVHAHIICH-UHFFFAOYSA-N -1 0 572.533 6.005 1 0 KKAFRM Cc1ccc(-c2ccc(NC(=O)c3cc(I)cc(I)c3[O-])cc2)cc1 ZINC000169328451 562858390 /nfs/dbraw/zinc/85/83/90/562858390.db2.gz QVEDRWJLUCIQRV-UHFFFAOYSA-N -1 0 555.153 5.829 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312974 562855560 /nfs/dbraw/zinc/85/55/60/562855560.db2.gz HHMFHVLBGYLOLS-MTABRHERSA-N -1 0 619.761 6.539 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312973 562855563 /nfs/dbraw/zinc/85/55/63/562855563.db2.gz DKCXNFYTMRUNDY-YUDZBJCPSA-N -1 0 651.778 7.280 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169313222 562855579 /nfs/dbraw/zinc/85/55/79/562855579.db2.gz TZWQVYGBPOVEEF-KHQOVXKTSA-N -1 0 658.667 7.300 1 0 KKAFRM CCCc1c(OCc2ccccc2)cccc1OC[C@@H](O)COc1ccc2c(=O)cc(C(=O)[O-])oc2c1CCC ZINC000169316402 562855807 /nfs/dbraw/zinc/85/58/07/562855807.db2.gz YBIAUCJNQQICNS-JOCHJYFZSA-N -1 0 546.616 5.794 1 0 KKAFRM CC(=C\c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)n1)/C=C(/C)C(=O)OCC(=O)[O-] ZINC000169323622 562857138 /nfs/dbraw/zinc/85/71/38/562857138.db2.gz VOLCSQMQBQJVBF-PKVHNTQSSA-N -1 0 663.796 7.214 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(CCC(=O)NCc3ccccc3)c2)cc1 ZINC000169329514 562858536 /nfs/dbraw/zinc/85/85/36/562858536.db2.gz FDDWAICSXJMTQI-UHFFFAOYSA-N -1 0 608.695 5.841 1 0 KKAFRM CCn1c(CCCc2ccc(CC(C)(C)C(=O)[N-]S(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343879 562861277 /nfs/dbraw/zinc/86/12/77/562861277.db2.gz HGHXNOSWGNNYLO-UHFFFAOYSA-N -1 0 616.828 5.660 1 0 KKAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)C3CCCCC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343869 562861284 /nfs/dbraw/zinc/86/12/84/562861284.db2.gz MBNCHMJDORETJF-UHFFFAOYSA-N -1 0 624.848 5.522 1 0 KKAFRM COc1cc2c(cc1OCCCN1CC[NH+](C)CC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3cnn(C)c3)c2)cc1F ZINC000169344653 562861445 /nfs/dbraw/zinc/86/14/45/562861445.db2.gz LPCWRKLTAPXZDQ-UHFFFAOYSA-N -1 0 660.772 5.392 1 0 KKAFRM O=C([O-])Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 ZINC000169349718 562862706 /nfs/dbraw/zinc/86/27/06/562862706.db2.gz SGNWXKVSGHHLMZ-UHFFFAOYSA-N -1 0 503.942 5.530 1 0 KKAFRM O=C([O-])c1ccc(/C=C/c2ccc3c(-c4ccccc4)ccc(-c4ccccc4)c3c2)c(Br)c1 ZINC000169352396 562863067 /nfs/dbraw/zinc/86/30/67/562863067.db2.gz ITMMMWDPLKILDP-ACCUITESSA-N -1 0 505.411 8.805 1 0 KKAFRM Cc1noc(C)c1-c1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)[O-])c(-c3ccc4c(c3)CCCO4)c2C)cc1 ZINC000169352747 562863188 /nfs/dbraw/zinc/86/31/88/562863188.db2.gz VVFQIXFBOGAZPP-HKBQPEDESA-N -1 0 540.660 7.570 1 0 KKAFRM Cc1cc(O)c2c3c(cc4c(c13)O[C@H](C)C4(C)C)C([O-])=C(N=c1c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c35)O[C@@H](C)C4(C)C)C2=O ZINC000169369337 562864702 /nfs/dbraw/zinc/86/47/02/562864702.db2.gz ZXZDKGDDONNRNS-GJZRLIIESA-N -1 0 631.681 5.236 1 0 KKAFRM O=C([N-]C1(C(=O)N[C@@H]2CCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000169697116 562866363 /nfs/dbraw/zinc/86/63/63/562866363.db2.gz CHXHGDPPQTWZQN-QGZVFWFLSA-N -1 0 537.312 5.619 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 ZINC000169702694 562868535 /nfs/dbraw/zinc/86/85/35/562868535.db2.gz KXGBAWGPILVBHN-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)[O-])nc2)cc1Cl ZINC000169702700 562868565 /nfs/dbraw/zinc/86/85/65/562868565.db2.gz GPKUFXAKPUJEDG-UHFFFAOYSA-N -1 0 635.992 8.232 1 0 KKAFRM COc1ccc(CC(=O)[O-])cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705658 562869531 /nfs/dbraw/zinc/86/95/31/562869531.db2.gz YUSJOHFHBXWXSP-SANMLTNESA-N -1 0 568.432 6.962 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c1)c1ccc(Br)cc1 ZINC000198620370 562872806 /nfs/dbraw/zinc/87/28/06/562872806.db2.gz ASUNKSTYSUPMAS-FQEVSTJZSA-N -1 0 553.456 7.308 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)cncc3F)cc12 ZINC000199337210 562872959 /nfs/dbraw/zinc/87/29/59/562872959.db2.gz UTTYAFJRJPPQLF-IBGZPJMESA-N -1 0 539.582 6.836 1 0 KKAFRM CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000199336090 562872975 /nfs/dbraw/zinc/87/29/75/562872975.db2.gz PGCVCSFPOMUCAN-QHCPKHFHSA-N -1 0 530.668 7.725 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3cccc(C(C)C)c3)cc12 ZINC000199633612 562872980 /nfs/dbraw/zinc/87/29/80/562872980.db2.gz QHPCWVZZRZXAAW-KDXMTYKHSA-N -1 0 620.793 9.509 1 0 KKAFRM COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1Cl ZINC000199633421 562872997 /nfs/dbraw/zinc/87/29/97/562872997.db2.gz PPVPKFHIMCDMTJ-NRFANRHFSA-N -1 0 567.085 7.825 1 0 KKAFRM COc1cc(C(F)(F)F)ccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000199475960 562873013 /nfs/dbraw/zinc/87/30/13/562873013.db2.gz GKALYOWBMYAKNE-OAQYLSRUSA-N -1 0 600.637 8.190 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H]3CCN(C(=O)OCc4ccccc4)C3)cc12 ZINC000199676236 562873035 /nfs/dbraw/zinc/87/30/35/562873035.db2.gz FYVMMEFHWHANIE-PMERELPUSA-N -1 0 601.703 6.813 1 0 KKAFRM Cn1c(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])cc2cc(-c3ccc(Cl)cc3)ccc21 ZINC000202313132 562873618 /nfs/dbraw/zinc/87/36/18/562873618.db2.gz WVLFSYBRJALCAT-NDEPHWFRSA-N -1 0 539.031 6.503 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202310364 562873629 /nfs/dbraw/zinc/87/36/29/562873629.db2.gz XNAYLDPWVNEEDR-AREMUKBSSA-N -1 0 560.437 6.313 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202311352 562873636 /nfs/dbraw/zinc/87/36/36/562873636.db2.gz NDALCSGTOZRLQG-AREMUKBSSA-N -1 0 543.982 5.799 1 0 KKAFRM Cc1ccc(COc2ccc(C[C@@H](NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)[O-])cc2)cc1 ZINC000202315161 562873659 /nfs/dbraw/zinc/87/36/59/562873659.db2.gz SUGCTLMGWFHNMX-HHHXNRCGSA-N -1 0 540.019 5.968 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccc(Cl)s3)cc2C1 ZINC000202317276 562873667 /nfs/dbraw/zinc/87/36/67/562873667.db2.gz IRLJLIKWFVOFKG-GDLZYMKVSA-N -1 0 536.024 6.068 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OCc3ccccc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202315003 562873669 /nfs/dbraw/zinc/87/36/69/562873669.db2.gz JRPNXMGTTZYZLJ-HKBQPEDESA-N -1 0 512.005 5.867 1 0 KKAFRM Nc1ccccc1COc1ccc(CC(=O)N[C@]2(C(=O)[O-])Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1 ZINC000202318287 562873681 /nfs/dbraw/zinc/87/36/81/562873681.db2.gz PVHNREZPJQCDEL-WJOKGBTCSA-N -1 0 527.020 5.449 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2F)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202320700 562873694 /nfs/dbraw/zinc/87/36/94/562873694.db2.gz UTFDQDFQXYQYFO-SANMLTNESA-N -1 0 543.982 5.799 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202324688 562873742 /nfs/dbraw/zinc/87/37/42/562873742.db2.gz GIAKLBQGJQRBJJ-HKBQPEDESA-N -1 0 555.055 6.690 1 0 KKAFRM CCCOc1ccc(-c2ccc3sc(C(=O)N[C@@H](Cc4ccc(OCc5ccc(F)cc5)cc4)C(=O)[O-])cc3c2)cc1 ZINC000202322362 562873748 /nfs/dbraw/zinc/87/37/48/562873748.db2.gz NIBWYSBCXFMCPD-PMERELPUSA-N -1 0 583.681 7.501 1 0 KKAFRM CCO[C@@](C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000203662916 562873988 /nfs/dbraw/zinc/87/39/88/562873988.db2.gz BAYKRNPYZMXCFX-NDEPHWFRSA-N -1 0 572.605 6.451 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(c1)CC(C)(C)C2)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203666915 562874057 /nfs/dbraw/zinc/87/40/57/562874057.db2.gz SHCCVBRTRWJHRO-UHFFFAOYSA-N -1 0 500.620 5.762 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1 ZINC000203668161 562874058 /nfs/dbraw/zinc/87/40/58/562874058.db2.gz CWEFDWIKLABKBX-UHFFFAOYSA-N -1 0 542.535 6.105 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(F)c(C(F)(F)F)n1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203768143 562874108 /nfs/dbraw/zinc/87/41/08/562874108.db2.gz JMIVJRGVYPMUCK-UHFFFAOYSA-N -1 0 519.476 5.190 1 0 KKAFRM Cc1c2ccccc2c([C@@H](C)O)nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203772176 562874135 /nfs/dbraw/zinc/87/41/35/562874135.db2.gz GPZVBMITVVNIJI-QGZVFWFLSA-N -1 0 560.550 5.589 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000205725362 562875833 /nfs/dbraw/zinc/87/58/33/562875833.db2.gz OCYFULQWYCOSIT-UHFFFAOYSA-N -1 0 500.403 6.550 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000205724007 562875843 /nfs/dbraw/zinc/87/58/43/562875843.db2.gz PTWKNPCCCXTOMF-UHFFFAOYSA-N -1 0 519.833 7.235 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H]3COc4ccccc4C3)cc12 ZINC000205971078 562876015 /nfs/dbraw/zinc/87/60/15/562876015.db2.gz XPCLROUCHIPBSJ-HHHXNRCGSA-N -1 0 530.624 6.405 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc12 ZINC000205973857 562876017 /nfs/dbraw/zinc/87/60/17/562876017.db2.gz AMSXUORYXQSRID-NRFANRHFSA-N -1 0 581.510 7.925 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc12 ZINC000205984028 562876056 /nfs/dbraw/zinc/87/60/56/562876056.db2.gz STHCMQVWLCELIQ-HSZRJFAPSA-N -1 0 530.668 7.423 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000205982257 562876081 /nfs/dbraw/zinc/87/60/81/562876081.db2.gz VFKLWVWYBVKXTA-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12 ZINC000206001073 562876158 /nfs/dbraw/zinc/87/61/58/562876158.db2.gz PSUJFJNXAXBRJM-ICSRJNTNSA-N -1 0 505.014 6.303 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12 ZINC000206014494 562876167 /nfs/dbraw/zinc/87/61/67/562876167.db2.gz HXJBOSQWCBRBJK-HKUYNNGSSA-N -1 0 583.910 7.065 1 0 KKAFRM Cn1ccnc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000206165201 562876410 /nfs/dbraw/zinc/87/64/10/562876410.db2.gz DECPOZZTDMVNMX-UHFFFAOYSA-N -1 0 509.513 5.517 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)[O-])c2ccc(C)nc21)C(=O)NCc1ccccc1 ZINC000208715859 562876847 /nfs/dbraw/zinc/87/68/47/562876847.db2.gz RIJSNVCZGMHFMG-UHFFFAOYSA-N -1 0 524.543 5.712 1 0 KKAFRM Cc1ccc(-c2ccc(O[C@H]3C[C@@H](C(=O)N[C@@H](Cc4ccccc4)C(=O)[N-]S(=O)(=O)c4ccccc4)N(C(=O)OC(C)(C)C)C3)cc2)cc1 ZINC000211253887 562877051 /nfs/dbraw/zinc/87/70/51/562877051.db2.gz FCVQNANSHMUPIU-XLDNGHKCSA-N -1 0 683.827 5.651 1 0 KKAFRM CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000213420265 562877201 /nfs/dbraw/zinc/87/72/01/562877201.db2.gz VGFAMRABAXJUTN-UHSQPCAPSA-N -1 0 514.666 5.537 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000215511531 562877344 /nfs/dbraw/zinc/87/73/44/562877344.db2.gz DHYZBFQCLKLPTG-UHFFFAOYSA-N -1 0 527.002 6.022 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)[N-]c3ncns3)ccc21 ZINC000215511461 562877364 /nfs/dbraw/zinc/87/73/64/562877364.db2.gz BXXHSWZOLFWSPZ-UHFFFAOYSA-N -1 0 527.002 6.022 1 0 KKAFRM O=S(=O)([N-]c1ccncn1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2Br)c1 ZINC000215495069 562877393 /nfs/dbraw/zinc/87/73/93/562877393.db2.gz HRELXNQPVKVZFI-UHFFFAOYSA-N -1 0 509.307 5.274 1 0 KKAFRM COc1cc(Cl)ccc1-c1ccc(-c2nccc3cc(S(=O)(=O)[N-]c4ccncn4)ccc32)c(OC)c1 ZINC000215518839 562877397 /nfs/dbraw/zinc/87/73/97/562877397.db2.gz HJDUNWNQLHYTQR-UHFFFAOYSA-N -1 0 533.009 5.830 1 0 KKAFRM COc1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1ncnc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000215524164 562877402 /nfs/dbraw/zinc/87/74/02/562877402.db2.gz WBJCKWKCKWGVEO-UHFFFAOYSA-N -1 0 537.523 5.582 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)nc2)c1)C(=O)[O-] ZINC000217350499 562877516 /nfs/dbraw/zinc/87/75/16/562877516.db2.gz HBWYNLPRYCZIEF-UHFFFAOYSA-N -1 0 610.636 7.946 1 0 KKAFRM Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4ccc(Br)cc4F)c3c2)c(F)c1 ZINC000218129974 562877819 /nfs/dbraw/zinc/87/78/19/562877819.db2.gz NCPHEAJDRGSPBP-UHFFFAOYSA-N -1 0 544.396 6.061 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 ZINC000218198007 562877843 /nfs/dbraw/zinc/87/78/43/562877843.db2.gz RGPXUDCWUQOZDE-RPWUZVMVSA-N -1 0 539.554 6.624 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000218176135 562877850 /nfs/dbraw/zinc/87/78/50/562877850.db2.gz XDVSHTILARCDNQ-UHFFFAOYSA-N -1 0 554.460 6.702 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1 ZINC000218243093 562877879 /nfs/dbraw/zinc/87/78/79/562877879.db2.gz VFVJDKGSEZYQQO-FCHUYYIVSA-N -1 0 528.531 5.654 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)cc1C)C(=O)[O-] ZINC000218351560 562877907 /nfs/dbraw/zinc/87/79/07/562877907.db2.gz ZRQBETFMRQQYBX-UHFFFAOYSA-N -1 0 544.574 6.038 1 0 KKAFRM CS(=O)(=O)Nc1ccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1 ZINC000219348503 562878069 /nfs/dbraw/zinc/87/80/69/562878069.db2.gz DWGOJFLEPFZWKP-UHFFFAOYSA-N -1 0 660.796 7.438 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC000219431163 562878210 /nfs/dbraw/zinc/87/82/10/562878210.db2.gz ZRAZAXUTQQWJNL-UHFFFAOYSA-N -1 0 543.645 5.269 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cccc(C(F)(F)F)c1Cl ZINC000219598803 562878307 /nfs/dbraw/zinc/87/83/07/562878307.db2.gz CMIUAHZLPNNUFM-UHFFFAOYSA-N -1 0 528.766 8.821 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000220522943 562878545 /nfs/dbraw/zinc/87/85/45/562878545.db2.gz SBLFULGYUXMXLD-UIOOFZCWSA-N -1 0 570.487 7.333 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000220524456 562878567 /nfs/dbraw/zinc/87/85/67/562878567.db2.gz BCWNITZZYDQYSA-UIOOFZCWSA-N -1 0 559.588 7.589 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000220525777 562878580 /nfs/dbraw/zinc/87/85/80/562878580.db2.gz NUISDNIZVVNWDE-ZWXJPIIXSA-N -1 0 635.686 9.256 1 0 KKAFRM CC[C@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@@H]1CC(=O)[O-] ZINC000221978335 562879484 /nfs/dbraw/zinc/87/94/84/562879484.db2.gz ODPBHDCZTYQTGE-ZEQKJWHPSA-N -1 0 528.546 7.008 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl ZINC000222480309 562879810 /nfs/dbraw/zinc/87/98/10/562879810.db2.gz NEPGYBYFRTXHOG-UHFFFAOYSA-N -1 0 608.588 5.859 1 0 KKAFRM COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3nc(C(F)(F)F)cs3)ccc21 ZINC000225053835 562880664 /nfs/dbraw/zinc/88/06/64/562880664.db2.gz MFVQSGLEXFRRNK-UHFFFAOYSA-N -1 0 533.475 6.205 1 0 KKAFRM COc1cc(-c2ccc3[nH]ccc3c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225121319 562880723 /nfs/dbraw/zinc/88/07/23/562880723.db2.gz OBPOBKUDUDNFRU-UHFFFAOYSA-N -1 0 507.575 5.650 1 0 KKAFRM COc1cc(-c2ccc(C)c(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225122794 562880800 /nfs/dbraw/zinc/88/08/00/562880800.db2.gz KVOUXZJANUUUMB-UHFFFAOYSA-N -1 0 517.010 6.130 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F ZINC000226091644 562880942 /nfs/dbraw/zinc/88/09/42/562880942.db2.gz DQGVUJIWKQIWHH-RPBOFIJWSA-N -1 0 588.477 7.472 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000226106091 562880964 /nfs/dbraw/zinc/88/09/64/562880964.db2.gz YZXVVLQFYPGOSL-ZWXJPIIXSA-N -1 0 635.686 9.256 1 0 KKAFRM CN(C)c1ncc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226101732 562880978 /nfs/dbraw/zinc/88/09/78/562880978.db2.gz NSSMOHQPSLSHNE-UHFFFAOYSA-N -1 0 612.734 6.922 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000226108349 562880995 /nfs/dbraw/zinc/88/09/95/562880995.db2.gz SNBUZQITWLUHCF-ZWXJPIIXSA-N -1 0 653.676 9.395 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000226112871 562881013 /nfs/dbraw/zinc/88/10/13/562881013.db2.gz WUEPCZKKECGDLI-UHFFFAOYSA-N -1 0 619.743 6.936 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CCCC6)sc5c(c([O-])c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299823665 562882969 /nfs/dbraw/zinc/88/29/69/562882969.db2.gz VDCWBKSADLPPOZ-FMBQBKBCSA-N -1 0 807.963 6.258 1 0 KKAFRM CCN(c1ccccc1)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299823894 562883120 /nfs/dbraw/zinc/88/31/20/562883120.db2.gz BUZGCPSWKFNSRE-CARYDLSXSA-N -1 0 643.633 7.167 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)N2CCc3ccccc32)C2CC2)C1=O ZINC000299826418 562883854 /nfs/dbraw/zinc/88/38/54/562883854.db2.gz HHHKRMKBENXJPV-VAUJZKAJSA-N -1 0 641.617 6.703 1 0 KKAFRM COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3ccc(C)s3)cc2)cc1 ZINC000299827016 562884049 /nfs/dbraw/zinc/88/40/49/562884049.db2.gz ONSNPGQHAHAYOD-QHCPKHFHSA-N -1 0 552.703 5.993 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OC(C)(C)C(=O)[O-])cc2)c1 ZINC000299827268 562884090 /nfs/dbraw/zinc/88/40/90/562884090.db2.gz GBEJGKMASFOPQD-UHFFFAOYSA-N -1 0 526.651 5.605 1 0 KKAFRM Cc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000299827769 562884242 /nfs/dbraw/zinc/88/42/42/562884242.db2.gz PDBDXSJRRCVBTJ-RUZDIDTESA-N -1 0 516.648 5.923 1 0 KKAFRM CC[C@@H](c1ncccc1C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299829347 562884813 /nfs/dbraw/zinc/88/48/13/562884813.db2.gz JJKWOYOQGGSZFQ-CINSQPMQSA-N -1 0 525.476 7.386 1 0 KKAFRM CC[C@@H](c1cc(C)ccn1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299833029 562886066 /nfs/dbraw/zinc/88/60/66/562886066.db2.gz XXXAJZYALKYVBF-SYBYNBCQSA-N -1 0 525.476 7.386 1 0 KKAFRM CC(C)n1cnc(COc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000299835101 562886747 /nfs/dbraw/zinc/88/67/47/562886747.db2.gz LQZYGZRNRVJNBD-MDZDMXLPSA-N -1 0 571.888 8.451 1 0 KKAFRM O=C(/C=C/c1ccccc1)N[C@H](Cc1ccc(OCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)[O-] ZINC000299836250 562887056 /nfs/dbraw/zinc/88/70/56/562887056.db2.gz MZQFEUCJXMACCJ-YYUHVEQZSA-N -1 0 533.624 6.140 1 0 KKAFRM CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Br)cc(Br)c1OCc1cn(CC(=O)Nc2cccc(C(=O)[O-])c2)nn1 ZINC000299836581 562887230 /nfs/dbraw/zinc/88/72/30/562887230.db2.gz NRCFZWQZMJJLQR-UHFFFAOYSA-N -1 0 761.424 5.080 1 0 KKAFRM CC(C)n1nnc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000299837671 562887549 /nfs/dbraw/zinc/88/75/49/562887549.db2.gz PBLITAVBQJQFQV-MDZDMXLPSA-N -1 0 542.850 7.934 1 0 KKAFRM CCCC(=O)N1C[C@@H](C(=O)[O-])Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21 ZINC000299839337 562888178 /nfs/dbraw/zinc/88/81/78/562888178.db2.gz XVRFPOJZAQIRMJ-SANMLTNESA-N -1 0 516.594 5.319 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N(CC(=O)N(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000299840357 562888535 /nfs/dbraw/zinc/88/85/35/562888535.db2.gz VDVXXKIRWLZRSK-UHFFFAOYSA-N -1 0 719.344 8.688 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299844204 562889205 /nfs/dbraw/zinc/88/92/05/562889205.db2.gz GCEUDIONNAAMRI-ISXWXNMNSA-N -1 0 801.977 6.233 1 0 KKAFRM COC(=O)CC[C@]1(C)[C@H]2CC[C@@H]3[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]2(C)CC[C@H]1[C@H](C)CO ZINC000299847059 562889825 /nfs/dbraw/zinc/88/98/25/562889825.db2.gz FXPAVZHMWRSXCB-GWLYHAIISA-N -1 0 504.752 6.570 1 0 KKAFRM COC(=O)CC[C@]1(C)[C@H]2CC[C@@H]3[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]2(C)CC[C@H]1[C@@H](C)CO ZINC000299847061 562889838 /nfs/dbraw/zinc/88/98/38/562889838.db2.gz FXPAVZHMWRSXCB-LOLLEKBCSA-N -1 0 504.752 6.570 1 0 KKAFRM COC[C@H](C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(F)c(Oc2ncc(CCn3nccn3)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000299847358 562889885 /nfs/dbraw/zinc/88/98/85/562889885.db2.gz OMIBPJQBFHJJRT-BJLQDIEVSA-N -1 0 607.605 5.758 1 0 KKAFRM CCOC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)C(=O)[O-])cc1 ZINC000299847836 562890093 /nfs/dbraw/zinc/89/00/93/562890093.db2.gz GXHGBCQYCGPGDC-PDTKLHJZSA-N -1 0 668.872 5.558 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848990 562890381 /nfs/dbraw/zinc/89/03/81/562890381.db2.gz YVZZWDGPBJHUST-QWALAGALSA-N -1 0 596.809 5.382 1 0 KKAFRM CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)CCC(=O)[O-])C4(C)C)C(C)(C)O ZINC000299849583 562890505 /nfs/dbraw/zinc/89/05/05/562890505.db2.gz NVYRKHLYYLNPAP-AXFZHNDPSA-N -1 0 632.835 5.279 1 0 KKAFRM O=C([O-])C1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(F)cccc4Cl)c(NC[C@@H]4CCCO4)n3)cc2)CC1 ZINC000299852145 562890842 /nfs/dbraw/zinc/89/08/42/562890842.db2.gz OBUNCICRXATIOL-FQEVSTJZSA-N -1 0 569.037 5.157 1 0 KKAFRM CC[C@@H](C)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S/C=C\C(=O)[O-])n2CC(OC)OC)ccn1 ZINC000299857130 562892083 /nfs/dbraw/zinc/89/20/83/562892083.db2.gz CPLDEGFBMDVVMO-DVFVSVACSA-N -1 0 500.596 5.271 1 0 KKAFRM COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc21 ZINC000299858785 562892546 /nfs/dbraw/zinc/89/25/46/562892546.db2.gz UCZLVGKAERKKCY-UHFFFAOYSA-N -1 0 529.376 6.344 1 0 KKAFRM COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3F)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)[O-] ZINC000299858960 562892563 /nfs/dbraw/zinc/89/25/63/562892563.db2.gz FIGDNRYTZGYMDA-SHBPLVQHSA-N -1 0 747.713 7.924 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)[O-])c1 ZINC000299859093 562892585 /nfs/dbraw/zinc/89/25/85/562892585.db2.gz VXSVTNCTNBQEQS-RPLLCQBOSA-N -1 0 526.589 5.961 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299859036 562892606 /nfs/dbraw/zinc/89/26/06/562892606.db2.gz HGXYIEKAFGIAKG-NCELDCMTSA-N -1 0 577.599 8.709 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)[O-])c1 ZINC000299859090 562892607 /nfs/dbraw/zinc/89/26/07/562892607.db2.gz VXSVTNCTNBQEQS-IGKIAQTJSA-N -1 0 526.589 5.961 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299860416 562892940 /nfs/dbraw/zinc/89/29/40/562892940.db2.gz GPWQFZRBAOMGBC-BUHFOSPRSA-N -1 0 626.689 5.615 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2F)[C@H]1c1ccc(Cl)cc1 ZINC000299861207 562893262 /nfs/dbraw/zinc/89/32/62/562893262.db2.gz HUXQNTCNYMUORT-KVFVXYHUSA-N -1 0 598.564 6.663 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cncnc3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299862499 562893619 /nfs/dbraw/zinc/89/36/19/562893619.db2.gz JTEGWXLOWGAENH-OUKQBFOZSA-N -1 0 623.714 5.261 1 0 KKAFRM COc1ccc(-n2c(-c3ccccc3O)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000299863943 562893997 /nfs/dbraw/zinc/89/39/97/562893997.db2.gz QLPUZKODTZZNJE-UHFFFAOYSA-N -1 0 642.713 5.051 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299867224 562894817 /nfs/dbraw/zinc/89/48/17/562894817.db2.gz PYRYMHAGOOXWAZ-SFQUDFHCSA-N -1 0 639.728 6.839 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299868162 562895047 /nfs/dbraw/zinc/89/50/47/562895047.db2.gz RAPIJQHXBMXNLF-FYWRMAATSA-N -1 0 640.716 6.234 1 0 KKAFRM CC(C)=CCn1cc(CC(=O)[O-])c2cc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)ccc21 ZINC000473082873 562896729 /nfs/dbraw/zinc/89/67/29/562896729.db2.gz LLOWPYBZORSAIS-UHFFFAOYSA-N -1 0 534.052 7.315 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473083266 562896808 /nfs/dbraw/zinc/89/68/08/562896808.db2.gz BIXZGCLRWDRIEC-QGZVFWFLSA-N -1 0 627.541 7.500 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21 ZINC000473084153 562896858 /nfs/dbraw/zinc/89/68/58/562896858.db2.gz FPCBHNAMQSEQNL-PMERELPUSA-N -1 0 629.679 8.382 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21 ZINC000473087652 562897193 /nfs/dbraw/zinc/89/71/93/562897193.db2.gz LHVFEGQVEVPVKP-LJAQVGFWSA-N -1 0 683.649 8.799 1 0 KKAFRM COc1cc(F)c(F)cc1-c1nn([C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473087949 562897227 /nfs/dbraw/zinc/89/72/27/562897227.db2.gz MTQWTVSSOQLSBB-GOSISDBHSA-N -1 0 639.577 7.370 1 0 KKAFRM COc1ccncc1-c1nn([C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473088549 562897297 /nfs/dbraw/zinc/89/72/97/562897297.db2.gz OVNIMTCUHNDIOZ-LJQANCHMSA-N -1 0 604.585 6.486 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090059 562897472 /nfs/dbraw/zinc/89/74/72/562897472.db2.gz UNWQPKHODAIAIW-OAQYLSRUSA-N -1 0 644.650 6.713 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 ZINC000473090669 562897562 /nfs/dbraw/zinc/89/75/62/562897562.db2.gz XCTJTYGURHKFME-WJOKGBTCSA-N -1 0 659.705 8.390 1 0 KKAFRM COc1ccc(Cl)cc1-c1nn([C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473090590 562897566 /nfs/dbraw/zinc/89/75/66/562897566.db2.gz WPEGCKBIAJARBF-IBGZPJMESA-N -1 0 638.042 7.745 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 ZINC000473090663 562897569 /nfs/dbraw/zinc/89/75/69/562897569.db2.gz XCTJTYGURHKFME-HKBQPEDESA-N -1 0 659.705 8.390 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 ZINC000473091933 562897713 /nfs/dbraw/zinc/89/77/13/562897713.db2.gz ZPWJSAXFXPHBEO-PMERELPUSA-N -1 0 645.678 8.000 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473092062 562897729 /nfs/dbraw/zinc/89/77/29/562897729.db2.gz ZTWOYZCDZLBDLH-SSEXGKCCSA-N -1 0 629.679 8.300 1 0 KKAFRM CCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473101882 562898096 /nfs/dbraw/zinc/89/80/96/562898096.db2.gz LBTOHXCUJPCSCC-FQSJBYFFSA-N -1 0 798.675 7.009 1 0 KKAFRM Cc1ccc2c(c1)c(CC(=O)[O-])c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473159188 562902676 /nfs/dbraw/zinc/90/26/76/562902676.db2.gz WZRIVHMKQUKSQX-SSEXGKCCSA-N -1 0 574.468 5.736 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(OCC2CCCC2)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473194950 562903665 /nfs/dbraw/zinc/90/36/65/562903665.db2.gz XUDFZYXVDQMOSI-UHFFFAOYSA-N -1 0 530.646 6.206 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1cc2cc(Cl)ccc2n1C1CC1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473228773 562904294 /nfs/dbraw/zinc/90/42/94/562904294.db2.gz IRHNDTGEDJQVEL-UHFFFAOYSA-N -1 0 546.048 6.580 1 0 KKAFRM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c([O-])cc4O)cc3)cc2)CC1 ZINC000653671279 562906160 /nfs/dbraw/zinc/90/61/60/562906160.db2.gz MEBHIMHZFCVKID-UHFFFAOYSA-N -1 0 626.156 5.180 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4OCc4ccccc4)ccc3O[C@H]2CO)ccc1O ZINC000653687480 562906570 /nfs/dbraw/zinc/90/65/70/562906570.db2.gz SNXNJCHNDFOVAZ-UNVMMQEESA-N -1 0 660.675 6.911 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(OCCCCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653691250 562906767 /nfs/dbraw/zinc/90/67/67/562906767.db2.gz PDTFVEVNPHTRLA-SHUZPENHSA-N -1 0 648.749 7.671 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4nc5ccccc5n4Cc4cccc(F)c4)CC3)c(F)cc2c1=O ZINC000653700721 562907395 /nfs/dbraw/zinc/90/73/95/562907395.db2.gz NFRVEINPRDLZRC-UHFFFAOYSA-N -1 0 569.612 5.033 1 0 KKAFRM COc1ccc(Cc2nc(SC3CCCCCC3)[n-]c(=O)c2I)cc1OC ZINC000653714197 562908329 /nfs/dbraw/zinc/90/83/29/562908329.db2.gz QTDFETSQRHJXLU-UHFFFAOYSA-N -1 0 500.402 5.210 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721942 562908767 /nfs/dbraw/zinc/90/87/67/562908767.db2.gz PCAPKCSFYXIDLR-SIKLNZKXSA-N -1 0 500.732 5.481 1 0 KKAFRM CSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653755618 562910904 /nfs/dbraw/zinc/91/09/04/562910904.db2.gz JJCMEMAVTWBINW-QFIPXVFZSA-N -1 0 549.696 7.014 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653757174 562911017 /nfs/dbraw/zinc/91/10/17/562911017.db2.gz SDYJMHYOIVOVJZ-UHFFFAOYSA-N -1 0 691.854 7.399 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](COc1ccccc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653762926 562911477 /nfs/dbraw/zinc/91/14/77/562911477.db2.gz GKBHDEKRMMSWNB-QKGVWDOXSA-N -1 0 537.741 5.991 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653762919 562911492 /nfs/dbraw/zinc/91/14/92/562911492.db2.gz GETCJMPOZXIVFV-DDXGAGSPSA-N -1 0 574.806 6.646 1 0 KKAFRM CCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000653774563 562911881 /nfs/dbraw/zinc/91/18/81/562911881.db2.gz PYPZOYLCMKYQOW-PMKWTCFPSA-N -1 0 554.856 9.221 1 0 KKAFRM Cc1nc2cc(Nc3nc([N-]c4ncccn4)nc(Nc4ccc(F)cc4)n3)ccc2n1Cc1ccccc1 ZINC000653799602 562913267 /nfs/dbraw/zinc/91/32/67/562913267.db2.gz OWGQIWZLINBIHM-UHFFFAOYSA-N -1 0 518.560 5.738 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(F)c(CN(CC(=O)[O-])C(=O)OCCCF)c1 ZINC000653819688 562914065 /nfs/dbraw/zinc/91/40/65/562914065.db2.gz SBBPLUZHEBFRQS-UHFFFAOYSA-N -1 0 508.905 5.404 1 0 KKAFRM Cc1cc(=O)oc2c1cc(-c1nn(-c3ccccc3)cc1C=O)c([O-])c2-c1nn(-c2ccccc2)cc1C=O ZINC000653810128 562913823 /nfs/dbraw/zinc/91/38/23/562913823.db2.gz YRGFAKFSJWQXKT-UHFFFAOYSA-N -1 0 516.513 5.137 1 0 KKAFRM COc1cccc2c(/C=C/C(=O)Nc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)c(C(=O)[O-])[nH]c21 ZINC000653820957 562914092 /nfs/dbraw/zinc/91/40/92/562914092.db2.gz BCDSYHCOCSCCQZ-CCQVQAEASA-N -1 0 523.976 6.899 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(F)cc1 ZINC000653841638 562914869 /nfs/dbraw/zinc/91/48/69/562914869.db2.gz HJIJRAAIWKMTEJ-VWLOTQADSA-N -1 0 538.406 6.403 1 0 KKAFRM C[C@H](CC(=O)[O-])NC(=O)c1ccc([C@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(c2)CCO3)cc1 ZINC000653847472 562915237 /nfs/dbraw/zinc/91/52/37/562915237.db2.gz BRBJPXYNJFCDKY-MSOLQXFVSA-N -1 0 564.469 6.661 1 0 KKAFRM C[C@H](c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2c(c1)CCO2 ZINC000653847475 562915244 /nfs/dbraw/zinc/91/52/44/562915244.db2.gz BRBJPXYNJFCDKY-ZWKOTPCHSA-N -1 0 564.469 6.661 1 0 KKAFRM CC(C)Oc1ccc(C(=O)Nc2c(C(=O)[O-])nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000653849046 562915351 /nfs/dbraw/zinc/91/53/51/562915351.db2.gz AEJNGYMCEFEGCG-UHFFFAOYSA-N -1 0 639.708 8.648 1 0 KKAFRM COc1cc(OC)cc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2[C@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)c1 ZINC000653849280 562915388 /nfs/dbraw/zinc/91/53/88/562915388.db2.gz JSMZATREWQMJQH-MHZLTWQESA-N -1 0 580.468 6.281 1 0 KKAFRM CCOc1ccncc1N1C(=O)c2c(c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2Cl)C1=O ZINC000653852914 562915628 /nfs/dbraw/zinc/91/56/28/562915628.db2.gz KLBAXORWYSHYTO-UHFFFAOYSA-N -1 0 514.003 5.033 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N4CC[C@H](C(=O)[O-])C4)cc3)ccc2c1 ZINC000653853970 562915694 /nfs/dbraw/zinc/91/56/94/562915694.db2.gz KOAIFXVYRHSSKS-IBVKSMDESA-N -1 0 614.529 7.842 1 0 KKAFRM CC(C)c1cc(-c2cc(-c3ccc(C(=O)[O-])cc3)nn2-c2ccc(S(C)(=O)=O)cc2)cc(C(C)(C)C)c1 ZINC000653857942 562915817 /nfs/dbraw/zinc/91/58/17/562915817.db2.gz IZUIATOTLFSJAY-UHFFFAOYSA-N -1 0 516.663 6.729 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(C)(C)C(=O)[O-])CC1 ZINC000653864124 562916157 /nfs/dbraw/zinc/91/61/57/562916157.db2.gz HSEVRJVQJJBHFO-MYVCOICNSA-N -1 0 770.793 7.242 1 0 KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C[C@@H]1C2 ZINC000085488994 565124384 /nfs/dbraw/zinc/12/43/84/565124384.db2.gz LEPHBKDHTWKAGV-ODGNIJHMSA-N -1 0 684.961 8.984 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)/C=C\c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095099319 565173144 /nfs/dbraw/zinc/17/31/44/565173144.db2.gz APFPLZLTXJYXMM-MTLPDSHASA-N -1 0 618.855 8.176 1 0 biogenic,in-vitro KKAFRM CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCC/C=C\CCCC ZINC000085588103 571783813 /nfs/dbraw/zinc/78/38/13/571783813.db2.gz BPFJDFFAZFFCBH-QPBIGPORSA-N -1 0 675.841 7.941 1 0 endogenous,in-man KKAFRM C[C@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)C[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000253529988 571855041 /nfs/dbraw/zinc/85/50/41/571855041.db2.gz VOAJMYUEWCGJID-AAGJXTRNSA-N -1 0 620.868 5.782 1 0 endogenous,in-man KKAFRM CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](O)C(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@@]3(C)CC[C@@H]21 ZINC000100777589 574412127 /nfs/dbraw/zinc/41/21/27/574412127.db2.gz YZUXOBYCNWIMKP-RNDZKHHVSA-N -1 0 630.819 5.860 1 0 endogenous,in-man KKAFRM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2C4=C(C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C(C)(C)[C@@H]1OC(C)=O ZINC000100780750 574412228 /nfs/dbraw/zinc/41/22/28/574412228.db2.gz NKUPBVVFDCQLGE-DIWKDQOISA-N -1 0 554.768 7.266 1 0 endogenous,in-man KKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100783888 574412482 /nfs/dbraw/zinc/41/24/82/574412482.db2.gz SWEBUECVVVXRRV-BDUWQINNSA-N -1 0 650.853 6.118 1 0 endogenous,in-man KKAFRM CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](OC(=O)CC(=O)[O-])CC[C@]5(C)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000095912238 291915153 /nfs/dbraw/zinc/91/51/53/291915153.db2.gz FLBONCYMCTVFPW-OZJCVREYSA-N -1 0 528.774 7.165 1 0 biogenic,in-vitro KKAFRM C[C@H]1[C@]2(O)C[C@@H]3C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)[O-])CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@]35CO ZINC000085530796 291987266 /nfs/dbraw/zinc/98/72/66/291987266.db2.gz HENMFJHSXXVVAH-BJIFURIOSA-N -1 0 526.758 6.180 1 0 biogenic,in-vitro KKAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 ZINC000073219693 551089384 /nfs/dbraw/zinc/08/93/84/551089384.db2.gz VERXBCYVZFLZNT-XMMPIXPASA-N -1 0 500.521 5.439 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@H](c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c2ccc(Cl)cc2)cc1 ZINC000049881691 551089967 /nfs/dbraw/zinc/08/99/67/551089967.db2.gz JTMDOZVHCVTETN-QHCPKHFHSA-N -1 0 575.008 6.941 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(Cl)ccc2c1 ZINC000095087833 551090509 /nfs/dbraw/zinc/09/05/09/551090509.db2.gz ICARRUHVPUOWDW-SFHVURJKSA-N -1 0 592.910 8.144 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)[C@H]2CCCc3ccccc32)cc1 ZINC000014176739 551090555 /nfs/dbraw/zinc/09/05/55/551090555.db2.gz RFXQGXOPDUTHKY-MHZLTWQESA-N -1 0 580.537 7.406 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)[C@@H]2CCCc3ccccc32)cc1 ZINC000003933420 551090586 /nfs/dbraw/zinc/09/05/86/551090586.db2.gz RFXQGXOPDUTHKY-HHHXNRCGSA-N -1 0 580.537 7.406 1 0 KKAFRM CCCOc1cc(Cl)cc(-c2cc(-c3ccc4cc(OC)ccc4c3)n([C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)n2)c1 ZINC000095087836 551090786 /nfs/dbraw/zinc/09/07/86/551090786.db2.gz SMMALWVNYOQSQD-QFIPXVFZSA-N -1 0 612.126 7.635 1 0 KKAFRM CO[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1)C(=O)[O-] ZINC000044351994 551090832 /nfs/dbraw/zinc/09/08/32/551090832.db2.gz GIRRFIIUMQOFBL-MUUNZHRXSA-N -1 0 596.511 7.019 1 0 KKAFRM CCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000001483056 561675839 /nfs/dbraw/zinc/67/58/39/561675839.db2.gz OIPITIRPAHRTNW-UHFFFAOYSA-N -1 0 529.662 5.326 1 0 KKAFRM C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@H]1Cc1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000001488127 561676060 /nfs/dbraw/zinc/67/60/60/561676060.db2.gz OQMSTTQHFRKDFE-AOXIIXCZSA-N -1 0 582.597 5.949 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccccn3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535715 561676763 /nfs/dbraw/zinc/67/67/63/561676763.db2.gz UHYGTCSPRAOTBE-UHFFFAOYSA-N -1 0 537.125 7.861 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccnc4ccccc34)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535737 561676788 /nfs/dbraw/zinc/67/67/88/561676788.db2.gz OBRSNLVMFANXER-UHFFFAOYSA-N -1 0 587.185 9.014 1 0 KKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 ZINC000001538022 561676878 /nfs/dbraw/zinc/67/68/78/561676878.db2.gz PJUPJKSRBKZKIZ-MHZLTWQESA-N -1 0 576.476 6.751 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3cccc(OC(C)(C)C(=O)[O-])c3)c3cc(OC(F)(F)F)ccc32)cc1 ZINC000001551627 561677538 /nfs/dbraw/zinc/67/75/38/561677538.db2.gz WTIUDROYDYCRCV-UHFFFAOYSA-N -1 0 541.522 6.378 1 0 KKAFRM O=C([O-])CCC(=O)N1NC(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)=C[C@@H]1c1ccc(Br)cc1 ZINC000001832826 561679559 /nfs/dbraw/zinc/67/95/59/561679559.db2.gz UNOXNOWRPATWAA-HSZRJFAPSA-N -1 0 578.850 6.317 1 0 KKAFRM Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000003942600 561689573 /nfs/dbraw/zinc/68/95/73/561689573.db2.gz DHUATBAZHILHIC-MRXNPFEDSA-N -1 0 531.914 6.633 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000003916411 561684981 /nfs/dbraw/zinc/68/49/81/561684981.db2.gz XJAOSFPKJXIFLX-UHFFFAOYSA-N -1 0 711.711 9.121 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2csc(SCc3ccccc3)n2)c1OC ZINC000003927584 561686863 /nfs/dbraw/zinc/68/68/63/561686863.db2.gz PDNAXMNHGWAVAV-YTTGMZPUSA-N -1 0 647.859 8.642 1 0 KKAFRM Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)[O-] ZINC000003931367 561687500 /nfs/dbraw/zinc/68/75/00/561687500.db2.gz MLJPZDPDIBXWNY-PQQAQFJWSA-N -1 0 742.918 5.786 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000003932815 561687876 /nfs/dbraw/zinc/68/78/76/561687876.db2.gz ZSXUVEXBPOPHIR-RRPNLBNLSA-N -1 0 627.569 5.348 1 0 KKAFRM CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000003945453 561689893 /nfs/dbraw/zinc/68/98/93/561689893.db2.gz PMGZJNCIQHGNLT-DEOSSOPVSA-N -1 0 614.650 6.335 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000003945990 561689896 /nfs/dbraw/zinc/68/98/96/561689896.db2.gz SAEQKQVPZNTBGL-XZWHSSHBSA-N -1 0 695.644 6.196 1 0 KKAFRM O=C([O-])c1cccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc54)cc3)cc2)c1 ZINC000002008088 561680533 /nfs/dbraw/zinc/68/05/33/561680533.db2.gz XZTCSPCLXQWUCU-UHFFFAOYSA-N -1 0 560.627 7.824 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CCCC3)c1 ZINC000003950734 561690372 /nfs/dbraw/zinc/69/03/72/561690372.db2.gz APMBFPQCZFCKCO-CGNAPUSOSA-N -1 0 555.784 8.020 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)C(=O)[O-] ZINC000003952514 561690614 /nfs/dbraw/zinc/69/06/14/561690614.db2.gz OZANAUCGDSBHQA-HZFRXHCASA-N -1 0 558.719 5.666 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)Cc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000004137612 561693964 /nfs/dbraw/zinc/69/39/64/561693964.db2.gz QCXQRVQRFRSCLV-GDLZYMKVSA-N -1 0 549.627 5.876 1 0 KKAFRM [NH3+][C@H](Cc1ccccc1)[P@@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000004393682 561694749 /nfs/dbraw/zinc/69/47/49/561694749.db2.gz QPOVWWCINWTVIO-AYQJTBPPSA-N -1 0 570.626 5.122 1 0 KKAFRM O=C1/C(=C/C=C/c2ccccc2)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000005579703 561696964 /nfs/dbraw/zinc/69/69/64/561696964.db2.gz IQNUTSKHJKAKBB-OBJYXWAWSA-N -1 0 512.616 5.335 1 0 KKAFRM CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CC(=O)CCCCC)c1O2 ZINC000005812135 561698531 /nfs/dbraw/zinc/69/85/31/561698531.db2.gz QLTNFHFQLMFRBN-UHFFFAOYSA-N -1 0 526.582 5.808 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C3CCCCC3)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008022236 561704181 /nfs/dbraw/zinc/70/41/81/561704181.db2.gz PAIUIWKTTZGIDG-LJAQVGFWSA-N -1 0 518.654 6.463 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C3CCCCC3)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008022247 561704208 /nfs/dbraw/zinc/70/42/08/561704208.db2.gz PAIUIWKTTZGIDG-GDLZYMKVSA-N -1 0 518.654 6.463 1 0 KKAFRM O=C([O-])CSc1nnc(Cc2cccc3ccccc32)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008649483 561706425 /nfs/dbraw/zinc/70/64/25/561706425.db2.gz KDCFNTWJBWACKH-UHFFFAOYSA-N -1 0 511.447 6.226 3 0 KKAFRM CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358283 561710373 /nfs/dbraw/zinc/71/03/73/561710373.db2.gz RSGKRXYALRQDEK-SANMLTNESA-N -1 0 507.608 6.312 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358281 561710407 /nfs/dbraw/zinc/71/04/07/561710407.db2.gz IFTRHBWQNKERFM-VWLOTQADSA-N -1 0 512.027 6.957 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358484 561710430 /nfs/dbraw/zinc/71/04/30/561710430.db2.gz WHRFBVLXQHYSAS-NDEPHWFRSA-N -1 0 519.663 7.427 1 0 KKAFRM CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2c(c1)O[C@](CC)(C(=O)[O-])CC2 ZINC000012358557 561710590 /nfs/dbraw/zinc/71/05/90/561710590.db2.gz MBRSLMALLOBAEB-HKBQPEDESA-N -1 0 520.622 6.846 1 0 KKAFRM CC(C)=CCc1c2c(c([O-])c3c(=O)c4c(oc13)-c1c3c(c(O)cc1O)OC(C)(C)[C@@H]3C4)C=CC(C)(C)O2 ZINC000013373230 561711677 /nfs/dbraw/zinc/71/16/77/561711677.db2.gz CYONWSIQFYQFOS-QGZVFWFLSA-N -1 0 502.563 6.080 1 0 endogenous,in-man KKAFRM O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000013436757 561711997 /nfs/dbraw/zinc/71/19/97/561711997.db2.gz CNEKZXJTDXCVRA-SANMLTNESA-N -1 0 512.591 5.468 1 0 KKAFRM O=C([O-])CS(=O)(=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448487 561713280 /nfs/dbraw/zinc/71/32/80/561713280.db2.gz BJGAHIPZOWCEJA-UHFFFAOYSA-N -1 0 502.636 5.944 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000013761384 561727815 /nfs/dbraw/zinc/72/78/15/561727815.db2.gz XMKDGSRADZHPTC-MVERNJQCSA-N -1 0 510.675 5.586 1 0 KKAFRM CSc1ccc(-c2ccc(S[C@H]3CC[C@@H](Cn4nnc5ccccc5c4=O)[C@@H]3C(=O)[O-])cc2)cc1 ZINC000013525880 561717249 /nfs/dbraw/zinc/71/72/49/561717249.db2.gz DAAIDRXNEKWJIQ-LQGLAIQGSA-N -1 0 503.649 5.452 1 0 KKAFRM CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761651 561727931 /nfs/dbraw/zinc/72/79/31/561727931.db2.gz OOAVNTQEOJWXBW-HHHXNRCGSA-N -1 0 535.706 6.645 1 0 KKAFRM COc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761664 561727937 /nfs/dbraw/zinc/72/79/37/561727937.db2.gz FHAHURNGIVLDQN-VWLOTQADSA-N -1 0 509.624 5.356 1 0 KKAFRM COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013557981 561719066 /nfs/dbraw/zinc/71/90/66/561719066.db2.gz XHCPYWCNZLHNQS-UHFFFAOYSA-N -1 0 517.582 5.301 1 0 KKAFRM C/C(=C\[C@@H](C)n1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558139 561719137 /nfs/dbraw/zinc/71/91/37/561719137.db2.gz ZOBRSOCMGBFNJL-ATGUSINASA-N -1 0 501.461 5.355 1 0 KKAFRM CCCC[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761710 561728107 /nfs/dbraw/zinc/72/81/07/561728107.db2.gz WINNFDUWGPPOBZ-HSZRJFAPSA-N -1 0 513.631 6.266 1 0 KKAFRM Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)[O-])c3)c(COC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 ZINC000013674750 561723840 /nfs/dbraw/zinc/72/38/40/561723840.db2.gz XVPUHDXGAHGMAZ-UHFFFAOYSA-N -1 0 513.638 6.438 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013677970 561724323 /nfs/dbraw/zinc/72/43/23/561724323.db2.gz PRKMZIWSBKQAHS-UHFFFAOYSA-N -1 0 504.505 6.467 1 0 KKAFRM COc1ccc(Cc2cccc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013731558 561725170 /nfs/dbraw/zinc/72/51/70/561725170.db2.gz GREKMFQWMSIASG-LJAQVGFWSA-N -1 0 505.614 5.764 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(c1)CCN2C(=O)c1c(Cl)ccc(Cl)c1C(=O)[O-] ZINC000013732397 561725342 /nfs/dbraw/zinc/72/53/42/561725342.db2.gz JUYQXHDMZCASOQ-UHFFFAOYSA-N -1 0 523.420 5.867 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2cocn2)c1OC ZINC000013740552 561726069 /nfs/dbraw/zinc/72/60/69/561726069.db2.gz DWDDHNWBAVHITQ-AREMUKBSSA-N -1 0 509.599 5.881 1 0 KKAFRM CCCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2C(=O)NC(=O)NCCC)cc1 ZINC000013741879 561726201 /nfs/dbraw/zinc/72/62/01/561726201.db2.gz YQHVPAXJQYRJBE-UHFFFAOYSA-N -1 0 508.644 5.211 1 0 KKAFRM CC(C)(C)OC(=O)NCCCC(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744227 561726614 /nfs/dbraw/zinc/72/66/14/561726614.db2.gz QHGHGSBEVNMIQN-RUZDIDTESA-N -1 0 524.658 5.790 1 0 KKAFRM CN(C(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C)S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000013747481 561727011 /nfs/dbraw/zinc/72/70/11/561727011.db2.gz TVDSHWGJMRNMMA-UHFFFAOYSA-N -1 0 508.684 6.336 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000013473413 561714351 /nfs/dbraw/zinc/71/43/51/561714351.db2.gz GXARYZYCSGAVQB-NDEPHWFRSA-N -1 0 504.535 5.632 1 0 KKAFRM O=C([O-])c1ccc(COc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc54)cc3)cc2)cc1 ZINC000013806760 561731465 /nfs/dbraw/zinc/73/14/65/561731465.db2.gz JRWYXZJCMPCPBV-UHFFFAOYSA-N -1 0 510.589 8.635 1 0 KKAFRM Cc1cccc(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1Cl ZINC000013817699 561732211 /nfs/dbraw/zinc/73/22/11/561732211.db2.gz ZOESWPXJPYGCKJ-IBGZPJMESA-N -1 0 505.785 5.633 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2cccs2)n2cccc2)cc1 ZINC000013828008 561733143 /nfs/dbraw/zinc/73/31/43/561733143.db2.gz FUKJLFAEUAUNJO-NRFANRHFSA-N -1 0 511.047 5.911 1 0 KKAFRM CCCCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833563 561733878 /nfs/dbraw/zinc/73/38/78/561733878.db2.gz SQPLVORXDCZJIZ-UHFFFAOYSA-N -1 0 502.614 6.927 1 0 KKAFRM Cc1cc(-c2c(-c3ccc(F)cc3)nc(C(F)(F)F)n2CC[C@@H](O)C[C@@H](O)CC(=O)[O-])cc(C)c1F ZINC000013833950 561733912 /nfs/dbraw/zinc/73/39/12/561733912.db2.gz LTDYROUQOKRSJZ-RTBURBONSA-N -1 0 512.475 5.108 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000014209765 561737770 /nfs/dbraw/zinc/73/77/70/561737770.db2.gz AJAOWKDQDBTLKO-UHFFFAOYSA-N -1 0 546.645 5.829 1 0 KKAFRM CN(C)C(=O)c1ccccc1CC[C@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000014233088 561738049 /nfs/dbraw/zinc/73/80/49/561738049.db2.gz PQWDXTSMXAQPLC-LJAQVGFWSA-N -1 0 563.119 7.051 1 0 KKAFRM CC(C)c1nc2c(c(-c3ccc(Cl)cc3)nn2C)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014235566 561738188 /nfs/dbraw/zinc/73/81/88/561738188.db2.gz UADHXRSVBUSBJH-ITWZMISCSA-N -1 0 538.019 5.818 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2csc(N)n2)c1OC ZINC000014254636 561738493 /nfs/dbraw/zinc/73/84/93/561738493.db2.gz HWAPBVMFCYXSEL-RUZDIDTESA-N -1 0 540.682 5.932 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(Cc2ccccc2)Cc2ccncc2)C(=O)[O-])cc1 ZINC000014946742 561744264 /nfs/dbraw/zinc/74/42/64/561744264.db2.gz WNFJASDZOJMGEK-LJAQVGFWSA-N -1 0 580.751 5.072 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(CCc2ccccc2)Cc2ccccc2)C(=O)[O-])cc1 ZINC000014946740 561744282 /nfs/dbraw/zinc/74/42/82/561744282.db2.gz XNZUFGIMXZAUQO-HKBQPEDESA-N -1 0 593.790 5.720 1 0 KKAFRM CC[C@@H](C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000014946766 561744327 /nfs/dbraw/zinc/74/43/27/561744327.db2.gz SFIKZNVTYXSZBV-IPBJYNAHSA-N -1 0 592.758 6.194 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@@H](C)CC(=O)[O-])cc3)c2=O)cc1C ZINC000014963357 561749050 /nfs/dbraw/zinc/74/90/50/561749050.db2.gz YDWZFLXHAFVVPG-NRFANRHFSA-N -1 0 509.606 6.403 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(F)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963462 561749053 /nfs/dbraw/zinc/74/90/53/561749053.db2.gz NCJROBQUOMPQFE-NRFANRHFSA-N -1 0 517.771 6.427 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1Br ZINC000014966047 561749879 /nfs/dbraw/zinc/74/98/79/561749879.db2.gz NVSWYFNJDUCDCI-SFTDATJTSA-N -1 0 584.442 5.660 1 0 KKAFRM O=C([O-])c1cccc(COc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000014972477 561751447 /nfs/dbraw/zinc/75/14/47/561751447.db2.gz BXYZFBZFOPCYGD-UHFFFAOYSA-N -1 0 527.498 7.429 1 0 KKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972504 561751595 /nfs/dbraw/zinc/75/15/95/561751595.db2.gz QMAWFUWIOSWDJM-UHFFFAOYSA-N -1 0 540.541 7.391 1 0 KKAFRM O=C([O-])/C=C/c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972564 561751600 /nfs/dbraw/zinc/75/16/00/561751600.db2.gz LNTBWVXFQSTLPE-WUKNDPDISA-N -1 0 552.552 7.862 1 0 KKAFRM O=C([O-])C(F)(F)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972592 561751648 /nfs/dbraw/zinc/75/16/48/561751648.db2.gz DUOZJJLSLMAQCI-UHFFFAOYSA-N -1 0 576.521 7.940 1 0 KKAFRM CCCc1cc(-c2nc(C(C)(C)C)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977124 561752235 /nfs/dbraw/zinc/75/22/35/561752235.db2.gz ZTQUDSFSSMPWPD-NRFANRHFSA-N -1 0 507.696 7.413 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000026148583 561767427 /nfs/dbraw/zinc/76/74/27/561767427.db2.gz JLZFMWSDAGXYQF-SANMLTNESA-N -1 0 508.663 5.818 1 0 KKAFRM Nc1ccc(-c2nc3cc(C(=O)[O-])ccc3n2CCCn2c3ccc(C(F)(F)F)cc3nc2-c2ccc(F)cc2)cc1 ZINC000017546089 561756205 /nfs/dbraw/zinc/75/62/05/561756205.db2.gz HGHLSAOYFDKEHS-UHFFFAOYSA-N -1 0 573.550 7.249 3 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000017654657 561757598 /nfs/dbraw/zinc/75/75/98/561757598.db2.gz BBMULGJBVDDDNI-LFSQGAFUSA-N -1 0 590.798 5.842 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC000026150374 561767571 /nfs/dbraw/zinc/76/75/71/561767571.db2.gz VKUYTWCMPHUTRM-SANMLTNESA-N -1 0 524.662 5.524 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)[n-]c2=O)c2ccc(Cl)cc2)c1 ZINC000025966723 561763120 /nfs/dbraw/zinc/76/31/20/561763120.db2.gz FVWNOIWMWFZLBS-ZMOGYAJESA-N -1 0 583.950 6.476 1 0 KKAFRM CC[C@@H](c1cc(Br)c([O-])c(Br)c1)[C@H](CC)c1ccc(O)c(Br)c1 ZINC000025966347 561763144 /nfs/dbraw/zinc/76/31/44/561763144.db2.gz CYHLJVJTZORJDH-OLZOCXBDSA-N -1 0 507.060 7.073 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1cccc(-c2ccsc2)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988007 561764380 /nfs/dbraw/zinc/76/43/80/561764380.db2.gz SIQAXTKFLDLSOX-AOHZBQACSA-N -1 0 500.705 5.522 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025989794 561764594 /nfs/dbraw/zinc/76/45/94/561764594.db2.gz OQBQWDSSUDLMTA-RMTZWNOUSA-N -1 0 562.673 6.479 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000025990535 561764686 /nfs/dbraw/zinc/76/46/86/561764686.db2.gz WWRZCSYJKWXOGQ-CKIYMEHHSA-N -1 0 574.737 7.492 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(C(F)(F)F)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025991301 561764689 /nfs/dbraw/zinc/76/46/89/561764689.db2.gz GJWCMELEZPWLGX-RMTZWNOUSA-N -1 0 562.673 6.479 1 0 KKAFRM O=C([O-])c1c(-c2ccc3c(c2)OCO3)c2cc(OCc3ccccc3)ccc2n1-c1ccc2c(c1)OCO2 ZINC000026004615 561765499 /nfs/dbraw/zinc/76/54/99/561765499.db2.gz XJEFQVHNUODKBN-UHFFFAOYSA-N -1 0 507.498 6.032 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026013789 561766146 /nfs/dbraw/zinc/76/61/46/561766146.db2.gz JFUPLVLXDDNRLK-NDEPHWFRSA-N -1 0 529.658 6.575 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000026159028 561768357 /nfs/dbraw/zinc/76/83/57/561768357.db2.gz OCZZSQRGBFEJLE-AREMUKBSSA-N -1 0 508.663 5.818 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Oc2ccc(C(=O)NC[C@@H](F)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168515 561769554 /nfs/dbraw/zinc/76/95/54/561769554.db2.gz RCMCOMRENMFXOA-IHLOFXLRSA-N -1 0 568.645 6.562 1 0 KKAFRM CCNC(=O)c1c(C)nc(CC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026171503 561770009 /nfs/dbraw/zinc/77/00/09/561770009.db2.gz SSYWNMRRWFAFTF-UHFFFAOYSA-N -1 0 613.456 5.989 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000026173193 561770394 /nfs/dbraw/zinc/77/03/94/561770394.db2.gz DCXARCKEWAQLJB-PMERELPUSA-N -1 0 617.573 8.127 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026174184 561770636 /nfs/dbraw/zinc/77/06/36/561770636.db2.gz RSPSRBBPGVZBDT-BMPTZRATSA-N -1 0 671.754 5.026 1 0 KKAFRM COc1ccc(-c2cccc(NC(=O)Nc3nc4ccccc4s3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026176883 561770937 /nfs/dbraw/zinc/77/09/37/561770937.db2.gz WIMYCZHWOQUMQA-XMMPIXPASA-N -1 0 602.694 6.110 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(CN5CCN(c6cc7c(cc6F)c(=O)ccn7C6CC6)CC5)cc4)CC3)c(F)cc2c1=O ZINC000026248383 561773644 /nfs/dbraw/zinc/77/36/44/561773644.db2.gz CXXNZAGJXVVPRR-UHFFFAOYSA-N -1 0 720.821 5.607 1 0 KKAFRM CCCc1nc(CN2CCN(c3ccccc3)C[C@H]2C)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026376271 561782033 /nfs/dbraw/zinc/78/20/33/561782033.db2.gz OJBDZHJIPQIGAJ-HSZRJFAPSA-N -1 0 576.705 5.140 1 0 KKAFRM CCCc1nc(CN(Cc2ccccc2)C(=O)Cc2ccccc2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026376140 561782053 /nfs/dbraw/zinc/78/20/53/561782053.db2.gz JJEKQVJYSYWGCQ-UHFFFAOYSA-N -1 0 625.733 6.201 1 0 KKAFRM CC(C)C[C@@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000026390010 561785529 /nfs/dbraw/zinc/78/55/29/561785529.db2.gz CLFPRXYAWSKZIE-XAFBCKOYSA-N -1 0 721.697 5.638 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2cccc(C)c2)cc1)C(C)(C)C ZINC000026394353 561786563 /nfs/dbraw/zinc/78/65/63/561786563.db2.gz VKSDFADIGYDZCS-LOYHVIPDSA-N -1 0 562.691 5.882 1 0 KKAFRM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC(CC)CC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026400404 561788209 /nfs/dbraw/zinc/78/82/09/561788209.db2.gz WVGSXUNLHNNCAH-FQEVSTJZSA-N -1 0 598.660 6.175 1 0 KKAFRM COc1cc(F)ccc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026477366 561791312 /nfs/dbraw/zinc/79/13/12/561791312.db2.gz SKCSOQJTCVVCJR-RPWUZVMVSA-N -1 0 595.476 5.293 1 0 KKAFRM O=C([N-]C(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1)Oc1c(-c2ccccc2)cccc1-c1ccccc1 ZINC000026484739 561792217 /nfs/dbraw/zinc/79/22/17/561792217.db2.gz JIBNAKNPXHCTBI-UHFFFAOYSA-N -1 0 561.637 9.642 1 0 KKAFRM CC(C)(C)Sc1c2cc(CCc3ccc4ccccc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026486701 561792443 /nfs/dbraw/zinc/79/24/43/561792443.db2.gz MNIOAJOGMPCWHE-UHFFFAOYSA-N -1 0 585.213 9.220 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)C(C)(C)c3cccc4ccccc43)c2=O)cc1 ZINC000026486040 561792476 /nfs/dbraw/zinc/79/24/76/561792476.db2.gz CYMQEBFIUQXEOJ-UUWRZZSWSA-N -1 0 673.810 6.373 1 0 KKAFRM COc1ccc(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c(Cl)c1 ZINC000026487375 561792650 /nfs/dbraw/zinc/79/26/50/561792650.db2.gz UHWCYRMUFITVTQ-FQEVSTJZSA-N -1 0 521.784 5.333 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1cccc(Cl)c1Cl ZINC000026494622 561794153 /nfs/dbraw/zinc/79/41/53/561794153.db2.gz CBLWZZPATNWACH-SFHVURJKSA-N -1 0 526.203 5.978 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(Cc2ccccc2Cl)CCCC1 ZINC000026495244 561794214 /nfs/dbraw/zinc/79/42/14/561794214.db2.gz ZRQWTHAJLRMPGP-DEOSSOPVSA-N -1 0 573.904 6.814 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507487 561796810 /nfs/dbraw/zinc/79/68/10/561796810.db2.gz NZTAZJDYGSXAMS-IZLXSDGUSA-N -1 0 560.691 6.483 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507482 561796833 /nfs/dbraw/zinc/79/68/33/561796833.db2.gz NZTAZJDYGSXAMS-VSGBNLITSA-N -1 0 560.691 6.483 1 0 KKAFRM CCCCc1nc(Cl)c(CNC(=O)OC23CC4CC(CC(C4)C2)C3)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026574124 561798681 /nfs/dbraw/zinc/79/86/81/561798681.db2.gz QDPWCYLDDNJKKY-UHFFFAOYSA-N -1 0 576.137 7.488 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(OCc2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026573723 561798743 /nfs/dbraw/zinc/79/87/43/561798743.db2.gz KBBBPRAKKDDMRH-RUZDIDTESA-N -1 0 630.659 9.072 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026576087 561799833 /nfs/dbraw/zinc/79/98/33/561799833.db2.gz YQEMFOGNUTYMTJ-JNBVYXHXSA-N -1 0 694.769 6.085 1 0 in-vivo KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000026665299 561811016 /nfs/dbraw/zinc/81/10/16/561811016.db2.gz PGOLWKTUHWHYJS-VRJYPAKCSA-N -1 0 557.691 5.222 1 0 in-vivo KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(C(F)(F)F)cc3)c3ccccc32)n1 ZINC000026665876 561811160 /nfs/dbraw/zinc/81/11/60/561811160.db2.gz XAJNNLNUOAQGQO-OFSOJUDTSA-N -1 0 576.575 5.024 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)CC(=O)[O-])c3S1 ZINC000026667747 561811545 /nfs/dbraw/zinc/81/15/45/561811545.db2.gz APXDSQONCWBBQU-QHCPKHFHSA-N -1 0 611.207 9.064 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2cccc(-c4ccccc4)n2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667722 561811548 /nfs/dbraw/zinc/81/15/48/561811548.db2.gz SYQXGAHLSODHJW-QFIPXVFZSA-N -1 0 597.180 8.674 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(C(=O)[O-])c3S1 ZINC000026668017 561811608 /nfs/dbraw/zinc/81/16/08/561811608.db2.gz ZSZOGGQZHMIOHD-IBGZPJMESA-N -1 0 541.072 7.719 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)NCCc2ccc(C(=O)[O-])cc2)N(C(=O)C(C)(C)C)C1 ZINC000026669139 561811872 /nfs/dbraw/zinc/81/18/72/561811872.db2.gz WVCFLTSGBWSZER-DUQIMVFOSA-N -1 0 716.782 5.502 1 0 KKAFRM CCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000026824597 561821705 /nfs/dbraw/zinc/82/17/05/561821705.db2.gz WUNUEBZYLIUGHH-LJAQVGFWSA-N -1 0 542.632 5.536 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(C(=O)c2ccccc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026669777 561812032 /nfs/dbraw/zinc/81/20/32/561812032.db2.gz ZAMORKXKBIBLJW-JOCHJYFZSA-N -1 0 576.718 7.661 1 0 KKAFRM CC(C)=CCC[C@@H](C)[C@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026674753 561813549 /nfs/dbraw/zinc/81/35/49/561813549.db2.gz LJZUIVDUKOZJED-WVXBCFDCSA-N -1 0 598.677 5.935 1 0 KKAFRM O=C(NC1CCCCC1)[C@H](c1ccnc2ccccc21)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C[P@](=O)([O-])O)cc1 ZINC000026734193 561817102 /nfs/dbraw/zinc/81/71/02/561817102.db2.gz SHMZSWJSKDWCOO-XIFFEERXSA-N -1 0 624.678 6.269 1 0 KKAFRM CC(C)=CCC[C@H](C)[C@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026734197 561817112 /nfs/dbraw/zinc/81/71/12/561817112.db2.gz UZLGCGLUDIIKAU-ZOYWYXQUSA-N -1 0 607.732 6.731 1 0 KKAFRM COc1ccc(C(c2ccc(OC)cc2)n2ccc3cc(/C(C)=C/C(=O)Nc4ccccc4OCCCC(=O)[O-])ccc32)cc1 ZINC000026735795 561817386 /nfs/dbraw/zinc/81/73/86/561817386.db2.gz SBUJMLNXWYDIHJ-WJTDDFOZSA-N -1 0 604.703 7.582 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CCC(C)C)CC(=O)N(CCC(=O)[O-])CCc2ccccc2)cc1 ZINC000026744391 561818556 /nfs/dbraw/zinc/81/85/56/561818556.db2.gz JWBMLMOGAGQHTH-UHFFFAOYSA-N -1 0 586.733 5.602 1 0 KKAFRM CCc1onc(-c2c(F)cccc2C(F)(F)F)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000026745705 561818798 /nfs/dbraw/zinc/81/87/98/561818798.db2.gz KBVJOBXKVIKCKQ-MDZDMXLPSA-N -1 0 545.916 8.163 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](c2ccccc2)c2ccccn2)c1 ZINC000026745961 561818961 /nfs/dbraw/zinc/81/89/61/561818961.db2.gz YVASBPXCJNYHHH-VWJNDSICSA-N -1 0 545.639 6.960 1 0 KKAFRM CO[P@@]([O-])(=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cc(Cl)cc1C(C)C ZINC000026752807 561820047 /nfs/dbraw/zinc/82/00/47/561820047.db2.gz BZACSDGWJPJFEX-QNGWXLTQSA-N -1 0 550.120 9.449 1 0 KKAFRM O=C([O-])CNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000026840658 561825691 /nfs/dbraw/zinc/82/56/91/561825691.db2.gz JYKTYQLAXRWNPF-DIPNUNPCSA-N -1 0 599.687 6.106 1 0 KKAFRM CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000026840828 561825696 /nfs/dbraw/zinc/82/56/96/561825696.db2.gz XEQNKUQWDCUQLR-VWLOTQADSA-N -1 0 528.996 5.402 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026847153 561826611 /nfs/dbraw/zinc/82/66/11/561826611.db2.gz MSZUAHGMPOWSGP-UHFFFAOYSA-N -1 0 647.901 6.724 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000026850635 561827117 /nfs/dbraw/zinc/82/71/17/561827117.db2.gz UXXOACZZNSBGBV-ILTQHCAVSA-N -1 0 630.832 10.053 1 0 KKAFRM O=C([O-])[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000026961309 561829702 /nfs/dbraw/zinc/82/97/02/561829702.db2.gz RGAGUHBLKQOAIG-RUZDIDTESA-N -1 0 520.416 5.408 1 0 KKAFRM O=C([O-])[C@@H]1Cc2c(ncn2C(c2ccccc2)c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000026962641 561829783 /nfs/dbraw/zinc/82/97/83/561829783.db2.gz RUIVHQNVXDCNFO-PMERELPUSA-N -1 0 527.624 5.691 1 0 KKAFRM COc1ccccc1CC[C@H](C[P@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000026965727 561829876 /nfs/dbraw/zinc/82/98/76/561829876.db2.gz PPRNBKQKXZPFHI-JOMNFKBKSA-N -1 0 661.736 5.760 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026969565 561830314 /nfs/dbraw/zinc/83/03/14/561830314.db2.gz PURUNRMSWAQLDE-UHFFFAOYSA-N -1 0 517.541 6.483 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000026975328 561830839 /nfs/dbraw/zinc/83/08/39/561830839.db2.gz PNFBECCMNQTCOM-COLOQVOQSA-N -1 0 529.658 6.677 1 0 KKAFRM CCCN(C)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026978874 561831116 /nfs/dbraw/zinc/83/11/16/561831116.db2.gz GBONRZAYEPNOIB-UHFFFAOYSA-N -1 0 531.568 6.507 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3cccc(Cl)c3)ccc2o1 ZINC000026980059 561831253 /nfs/dbraw/zinc/83/12/53/561831253.db2.gz OYRJFJOPOKWNSQ-UHFFFAOYSA-N -1 0 567.985 6.372 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4cccc(Cl)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026985289 561831873 /nfs/dbraw/zinc/83/18/73/561831873.db2.gz KVOLROGRUDJPRI-UHFFFAOYSA-N -1 0 524.916 6.323 1 0 KKAFRM CC(CCC(=O)[O-])(c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)c1ccc(OCc2ccc3cc(F)ccc3n2)cc1 ZINC000026989206 561832282 /nfs/dbraw/zinc/83/22/82/561832282.db2.gz IGCOGMKEZHVKBC-UHFFFAOYSA-N -1 0 604.653 8.390 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2o1 ZINC000026990693 561832537 /nfs/dbraw/zinc/83/25/37/561832537.db2.gz UBBYULUJHDIHFB-UHFFFAOYSA-N -1 0 617.536 6.618 1 0 KKAFRM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncnc(OCCOc3ncc(Br)cn3)c2-c2ccc(C)cc2)cc1 ZINC000026992807 561832823 /nfs/dbraw/zinc/83/28/23/561832823.db2.gz XWEIDHGQLRWUTR-UHFFFAOYSA-N -1 0 612.550 5.951 1 0 KKAFRM COc1ccccc1Sc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCOc1ncc(Br)cn1 ZINC000027077857 561834457 /nfs/dbraw/zinc/83/44/57/561834457.db2.gz VPKFBXMVSAVCOM-UHFFFAOYSA-N -1 0 646.589 5.745 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2cscn2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027195176 561844253 /nfs/dbraw/zinc/84/42/53/561844253.db2.gz CWKUHZMAENOGGX-LJAQVGFWSA-N -1 0 559.757 6.257 1 0 KKAFRM CN(C)C(=O)CCS[C@H](SCCC(=O)[O-])c1cccc(SCc2ccc3ccccc3n2)c1 ZINC000027213035 561847733 /nfs/dbraw/zinc/84/77/33/561847733.db2.gz TYSFBPNMAZWKNH-RUZDIDTESA-N -1 0 500.711 5.945 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cn(Cc3ccc(-c4ccccc4)cc3)cn2)cc1-c1ccccc1)C(=O)[O-] ZINC000027438455 561860463 /nfs/dbraw/zinc/86/04/63/561860463.db2.gz ADQZTKWUARPOTO-XIFFEERXSA-N -1 0 590.749 6.814 1 0 KKAFRM CCOC(=O)C[C@H](C[C@@]1(C)C(=O)C[C@H](CC)[C@H]2[C@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21)C(=O)[O-] ZINC000027517699 561861434 /nfs/dbraw/zinc/86/14/34/561861434.db2.gz ZDPNSRXIAOCESG-KQMDSQCPSA-N -1 0 518.779 7.557 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000027518449 561862236 /nfs/dbraw/zinc/86/22/36/561862236.db2.gz MOXPXJYZTWAWIQ-VWLOTQADSA-N -1 0 530.584 5.113 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2cccc(Cl)n2)c1 ZINC000027521306 561863888 /nfs/dbraw/zinc/86/38/88/561863888.db2.gz CPTPCKPMEIITER-AXSXGGAZSA-N -1 0 536.137 7.795 1 0 KKAFRM CCC(=O)OCC(C)(C)CN1c2ccc(Cl)cc2[C@@H](c2cccc(OC)c2OC)O[C@H](CC(=O)N2CCC(CC(=O)[O-])CC2)C1=O ZINC000027521323 561864002 /nfs/dbraw/zinc/86/40/02/561864002.db2.gz DBSCBFZOBJQHFU-DLFZDVPBSA-N -1 0 659.176 5.261 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CSC3)c1 ZINC000027522456 561864556 /nfs/dbraw/zinc/86/45/56/561864556.db2.gz IISZUJHNGQJOEV-SZNWCZRISA-N -1 0 559.797 7.888 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc(C(F)(F)F)cn2)c1 ZINC000027521932 561864295 /nfs/dbraw/zinc/86/42/95/561864295.db2.gz SZDFJWULJMPHIK-OXIVNLASSA-N -1 0 569.689 8.160 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027522977 561864721 /nfs/dbraw/zinc/86/47/21/561864721.db2.gz ZBFPRXQMXLPZGV-SANMLTNESA-N -1 0 675.250 9.269 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027522974 561864724 /nfs/dbraw/zinc/86/47/24/561864724.db2.gz ZBFPRXQMXLPZGV-AREMUKBSSA-N -1 0 675.250 9.269 1 0 KKAFRM Cc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)nc1CC(C)C ZINC000027523471 561865104 /nfs/dbraw/zinc/86/51/04/561865104.db2.gz AOFPEKPLQQABJA-LUYLJPJYSA-N -1 0 571.827 8.648 1 0 KKAFRM CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCCc1ccccc1 ZINC000027550841 561867877 /nfs/dbraw/zinc/86/78/77/561867877.db2.gz MIHZWSQPXITQHW-XHDJHXHHSA-N -1 0 594.774 6.139 1 0 KKAFRM CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC[C@@H](C)N1C(=O)Cc1ccc2ccccc2c1 ZINC000027556975 561869782 /nfs/dbraw/zinc/86/97/82/561869782.db2.gz VJTOLFRXBFXPAT-OBVGZQLQSA-N -1 0 550.699 6.096 1 0 KKAFRM CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C ZINC000027558359 561870000 /nfs/dbraw/zinc/87/00/00/561870000.db2.gz DJDHRNOOCBDZKP-KKUQBAQOSA-N -1 0 539.650 5.148 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000027652910 561876998 /nfs/dbraw/zinc/87/69/98/561876998.db2.gz JVKCFBRVLIFZAS-WNKJDRNQSA-N -1 0 699.535 5.403 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000027653750 561877050 /nfs/dbraw/zinc/87/70/50/561877050.db2.gz NAJHRSPELCBBQS-AMYQOBTNSA-N -1 0 644.577 5.298 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000027657215 561877902 /nfs/dbraw/zinc/87/79/02/561877902.db2.gz HTFUVFQHZHRUQQ-FYJXMEIRSA-N -1 0 706.457 5.753 1 0 KKAFRM CCCCc1nnc(SCc2cccc(C(=O)OC)c2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027706696 561878956 /nfs/dbraw/zinc/87/89/56/561878956.db2.gz SWQZAQULGGGFKC-UHFFFAOYSA-N -1 0 558.660 5.698 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(OCOC(=O)CC1CCCCC1)OCOC(=O)CC1CCCCC1)S(=O)(=O)[O-] ZINC000027717440 561880263 /nfs/dbraw/zinc/88/02/63/561880263.db2.gz NQHMNQZKBHOTPB-SECPXFOMSA-N -1 0 716.915 9.958 1 0 KKAFRM CCCCCCC(=O)OCOP(=O)(OCOC(=O)CCCCCC)[C@@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-] ZINC000027723862 561880722 /nfs/dbraw/zinc/88/07/22/561880722.db2.gz ACVCJMQIXTWXOO-WASSBEGJSA-N -1 0 692.893 9.958 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C)S(=O)(=O)[O-] ZINC000027724598 561880809 /nfs/dbraw/zinc/88/08/09/561880809.db2.gz KXDSQNSTEQBQIE-RMAOBYBRSA-N -1 0 608.731 7.330 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(OCOC(=O)c1ccccc1)OCOC(=O)c1ccccc1)S(=O)(=O)[O-] ZINC000027725845 561880823 /nfs/dbraw/zinc/88/08/23/561880823.db2.gz GMGOKBLGSRPSIT-XGNIUULZSA-N -1 0 676.765 8.645 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)C2CCCCC2)cc1 ZINC000027738575 561882166 /nfs/dbraw/zinc/88/21/66/561882166.db2.gz CPADDNAHPXAQNL-LJAQVGFWSA-N -1 0 570.690 5.675 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000027741322 561882667 /nfs/dbraw/zinc/88/26/67/561882667.db2.gz PRAQNLQOJOFZRC-MHZLTWQESA-N -1 0 583.493 5.565 1 0 KKAFRM CN(CCCNC(=O)c1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027880704 561889060 /nfs/dbraw/zinc/88/90/60/561889060.db2.gz GLOHBWCBAUMDKA-JGCGQSQUSA-N -1 0 594.604 5.987 1 0 KKAFRM CCCCNC(=O)Nc1c([O-])c2ccc(Oc3nc4c(c(CC)nn4-c4cc(Cl)cc(Cl)c4)c(N)n3)cc2oc1=O ZINC000027900515 561890856 /nfs/dbraw/zinc/89/08/56/561890856.db2.gz HMAGOFLZFHPUPJ-UHFFFAOYSA-N -1 0 598.447 5.793 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(C2CC2)o1 ZINC000028015849 561897238 /nfs/dbraw/zinc/89/72/38/561897238.db2.gz RYILNFVKWBUBQJ-BJKOFHAPSA-N -1 0 549.672 5.132 1 0 KKAFRM CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)[O-])c2c1 ZINC000028092291 561900091 /nfs/dbraw/zinc/90/00/91/561900091.db2.gz GNSOUSOCISFCDV-MHZLTWQESA-N -1 0 553.619 5.667 1 0 KKAFRM CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCc2ccccc2)s1)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl ZINC000028109005 561902777 /nfs/dbraw/zinc/90/27/77/561902777.db2.gz WQZDOPPAAWCMDI-UHFFFAOYSA-N -1 0 607.519 6.077 1 0 KKAFRM CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[P@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000028229914 561908969 /nfs/dbraw/zinc/90/89/69/561908969.db2.gz PDPKCIVZWUPRKX-BJJUCXOISA-N -1 0 706.821 6.234 1 0 KKAFRM CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(CCC)c1 ZINC000028116733 561903744 /nfs/dbraw/zinc/90/37/44/561903744.db2.gz CQXXJDPHDGWXIK-UHFFFAOYSA-N -1 0 576.763 6.955 1 0 KKAFRM CC(C)COC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028116796 561903941 /nfs/dbraw/zinc/90/39/41/561903941.db2.gz BOQAMFAQAXSFIX-UHFFFAOYSA-N -1 0 559.475 5.490 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccccc4)cc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028130847 561905641 /nfs/dbraw/zinc/90/56/41/561905641.db2.gz LSRCKLCZCMWKGS-UHFFFAOYSA-N -1 0 508.061 8.639 1 0 KKAFRM CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[P@](=O)([O-])C[C@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1 ZINC000028229922 561908976 /nfs/dbraw/zinc/90/89/76/561908976.db2.gz PDPKCIVZWUPRKX-XLDNGHKCSA-N -1 0 706.821 6.234 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@](C)(CCC(=O)[O-])CC3=O)ccc(C(C)=O)c1O ZINC000028242092 561910463 /nfs/dbraw/zinc/91/04/63/561910463.db2.gz LKJPJRQNDCCZIL-SSEXGKCCSA-N -1 0 526.626 5.936 1 0 KKAFRM COc1ccc2c(c1)c(CC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028252743 561911107 /nfs/dbraw/zinc/91/11/07/561911107.db2.gz WIZQTRLYPJYENB-SANMLTNESA-N -1 0 544.007 5.136 1 0 KKAFRM C[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028345142 561914728 /nfs/dbraw/zinc/91/47/28/561914728.db2.gz UPWUKLAOHOIVIU-TUEZWOAASA-N -1 0 527.790 6.738 1 0 KKAFRM CC(C)(C)n1nc(C2CC2)c2c1nc(C1CC1)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c1ccc(F)cc1 ZINC000028265721 561912583 /nfs/dbraw/zinc/91/25/83/561912583.db2.gz OCHTXQNSGGRTAU-DDVDASKDSA-N -1 0 507.606 5.347 1 0 KKAFRM O=C([O-])[C@H](c1cccc(Cl)c1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028330784 561912714 /nfs/dbraw/zinc/91/27/14/561912714.db2.gz MTACKLDUVMCJLI-PMACEKPBSA-N -1 0 581.193 5.560 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(CCC(=O)[O-])cc2)cc1)Cc1ccc(F)cc1F ZINC000028331598 561912780 /nfs/dbraw/zinc/91/27/80/561912780.db2.gz RPMFAHWVBZTSBT-UHFFFAOYSA-N -1 0 580.653 6.661 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC[C@@H]1c1ccc(Cl)cc1 ZINC000028341639 561914265 /nfs/dbraw/zinc/91/42/65/561914265.db2.gz WOQXYBMEUFDBJX-RTWAWAEBSA-N -1 0 567.210 6.033 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1)N1C(=O)C=C(c2ccccc2Br)N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028343329 561914474 /nfs/dbraw/zinc/91/44/74/561914474.db2.gz MPAGIHSKIGKKGZ-XBBWARJSSA-N -1 0 630.366 7.525 1 0 KKAFRM CC(C)c1ccc(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)[O-])cc2)CCc2ccc(-c3ccccc3)cc2)cc1 ZINC000028232511 561909310 /nfs/dbraw/zinc/90/93/10/561909310.db2.gz CMFMDHVGTDZSEU-UHFFFAOYSA-N -1 0 580.794 8.752 1 0 KKAFRM CN(C(=O)Cc1ccccc1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352314 561915677 /nfs/dbraw/zinc/91/56/77/561915677.db2.gz URXBXAULDOOJFP-VWLOTQADSA-N -1 0 561.465 6.862 1 0 KKAFRM COc1ccc(C(=O)N(CC(C)C)c2cccc([C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])c2)cc1 ZINC000028357224 561916344 /nfs/dbraw/zinc/91/63/44/561916344.db2.gz SJYZPJGBMJDYNR-MUUNZHRXSA-N -1 0 619.545 7.968 1 0 KKAFRM CC(C)CN(C(=O)c1cccs1)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028357209 561916346 /nfs/dbraw/zinc/91/63/46/561916346.db2.gz YWCBZRPSFKBFBQ-XMMPIXPASA-N -1 0 595.548 8.021 1 0 KKAFRM O=C([O-])c1nc2cc(-n3cnc(COC(=O)Nc4ccc(C(F)(F)F)cc4)c3)c(C(F)(F)F)cc2[nH]c1=O ZINC000028364321 561917374 /nfs/dbraw/zinc/91/73/74/561917374.db2.gz OOWSRILLURUKGS-UHFFFAOYSA-N -1 0 541.364 5.006 1 0 KKAFRM COc1ccc2c(ccc(Br)c2C(=O)N(CC(=O)[O-])C(=O)OCC(C)(C)C)c1C(F)(F)F ZINC000028381805 561920194 /nfs/dbraw/zinc/92/01/94/561920194.db2.gz HPCJRAQIZWLYIH-UHFFFAOYSA-N -1 0 520.298 5.339 1 0 KKAFRM Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@@](C)(Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000028456441 561923858 /nfs/dbraw/zinc/92/38/58/561923858.db2.gz XLIQVPZXRKMXIC-KXQOOQHDSA-N -1 0 589.732 8.701 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@](C)(Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000028458013 561924284 /nfs/dbraw/zinc/92/42/84/561924284.db2.gz BMQHLQSJYWHFHJ-DHUJRADRSA-N -1 0 547.651 7.712 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)cc2)cc1)C(=O)[O-] ZINC000028458685 561924476 /nfs/dbraw/zinc/92/44/76/561924476.db2.gz GGJDCLDUCIBTBH-PMERELPUSA-N -1 0 647.731 5.540 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccnc3cc(Cl)ccc32)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028471103 561926993 /nfs/dbraw/zinc/92/69/93/561926993.db2.gz AYUMFEOOWJWUDS-WPDQHLHMSA-N -1 0 654.204 5.281 1 0 KKAFRM O=C([O-])[C@]1(Cc2ccccc2)Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1 ZINC000028474100 561927486 /nfs/dbraw/zinc/92/74/86/561927486.db2.gz YPBFUAJSFFYEOF-VWLOTQADSA-N -1 0 522.903 6.088 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1Br ZINC000028474438 561927613 /nfs/dbraw/zinc/92/76/13/561927613.db2.gz JSVZERXVTQQPLV-MGBGTMOVSA-N -1 0 682.408 9.957 1 0 KKAFRM Cc1c(Oc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc21 ZINC000028474729 561927626 /nfs/dbraw/zinc/92/76/26/561927626.db2.gz NOWYXMPKECMLMR-ZDUSSCGKSA-N -1 0 581.330 7.930 1 0 KKAFRM CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Sc2ccc(Br)cc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1 ZINC000028475497 561927997 /nfs/dbraw/zinc/92/79/97/561927997.db2.gz WENYWFZFOOANMI-XWODRAHCSA-N -1 0 663.675 5.555 1 0 KKAFRM COc1ccc(-c2ccccc2O[C@@H]2C[C@@H](C(=O)CC3(C(=O)[O-])CC3)[C@@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)C2)cc1 ZINC000028477670 561928545 /nfs/dbraw/zinc/92/85/45/561928545.db2.gz WVXKEAMMIBAEGM-DPFXMESBSA-N -1 0 674.835 5.755 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc1 ZINC000028526012 561931856 /nfs/dbraw/zinc/93/18/56/561931856.db2.gz VEZFHBRVVUVDEY-OHGCLVLYSA-N -1 0 605.654 5.568 1 0 KKAFRM CC(C)(C)CC(=O)Nc1ccc2c(cc(C(=O)Nc3ccc(C(=O)[O-])cc3)n2Cc2ccccc2F)c1 ZINC000028526537 561932191 /nfs/dbraw/zinc/93/21/91/561932191.db2.gz UFBZYOGTDHEOJB-UHFFFAOYSA-N -1 0 501.558 6.154 1 0 KKAFRM CCc1ccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c2c1O ZINC000028528769 561933270 /nfs/dbraw/zinc/93/32/70/561933270.db2.gz USIMDPVZFWUXPH-VWLOTQADSA-N -1 0 550.633 5.316 1 0 KKAFRM COc1c2c(C)c(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1Cl ZINC000028528858 561933421 /nfs/dbraw/zinc/93/34/21/561933421.db2.gz IRPQGYYABIPNQJ-DEOSSOPVSA-N -1 0 571.051 5.710 1 0 KKAFRM Cc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(N3CCOCC3)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028566364 561936242 /nfs/dbraw/zinc/93/62/42/561936242.db2.gz MXINXELDYOYJFG-UHFFFAOYSA-N -1 0 546.667 6.744 1 0 KKAFRM Cc1c(CCS(=O)(=O)CCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028566534 561936385 /nfs/dbraw/zinc/93/63/85/561936385.db2.gz YKEFGFHRBSXKTI-UHFFFAOYSA-N -1 0 572.126 7.139 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2ccc(Cl)cc2n1C(c1ccccc1)c1ccccc1 ZINC000028566675 561936432 /nfs/dbraw/zinc/93/64/32/561936432.db2.gz IYZZOLDSWUYRPT-UHFFFAOYSA-N -1 0 544.072 6.955 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2cc(F)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028566679 561936490 /nfs/dbraw/zinc/93/64/90/561936490.db2.gz QUNCXZMEYXBNGL-UHFFFAOYSA-N -1 0 527.617 6.441 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2-c2ccccc2)cc1 ZINC000028567064 561936596 /nfs/dbraw/zinc/93/65/96/561936596.db2.gz KDQLOOWPDFTGOK-UHFFFAOYSA-N -1 0 558.077 8.919 1 0 KKAFRM Cc1c(CC[S@](=O)c2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028567079 561936600 /nfs/dbraw/zinc/93/66/00/561936600.db2.gz PFZDVGZJUMSHRH-DIPNUNPCSA-N -1 0 528.073 7.289 1 0 KKAFRM C=C1N=C(C)C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C1C(=O)OCCC(c1ccccn1)c1ccccn1 ZINC000028568243 561937245 /nfs/dbraw/zinc/93/72/45/561937245.db2.gz BYUOFIBSOBKYKW-JSXOWFROSA-N -1 0 503.986 6.055 1 0 KKAFRM CN1c2ccc(Sc3ccc(OC(F)(F)F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708819 561950414 /nfs/dbraw/zinc/95/04/14/561950414.db2.gz RFSIKHPICUTFEY-UHFFFAOYSA-N -1 0 630.732 10.034 1 0 KKAFRM COc1ccc(CSc2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)cc1 ZINC000028708822 561950457 /nfs/dbraw/zinc/95/04/57/561950457.db2.gz OJAQFZKCUYDNCF-UHFFFAOYSA-N -1 0 590.789 9.285 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(C(=O)NCc5cccc(C(=O)[O-])c5)cc4)cc3)C[C@@]21C ZINC000028709072 561950543 /nfs/dbraw/zinc/95/05/43/561950543.db2.gz AZGKKFZISNZDCK-GZKQBEFDSA-N -1 0 682.861 7.605 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(C(=O)NCC(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709055 561950597 /nfs/dbraw/zinc/95/05/97/561950597.db2.gz DGSMGRSHJNRNSU-MYYQLPNJSA-N -1 0 606.763 5.791 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc([C@@H](C)C(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709079 561950624 /nfs/dbraw/zinc/95/06/24/561950624.db2.gz APFRDVMUOQCPTQ-PCFTZDIQSA-N -1 0 577.765 7.165 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)C1=O ZINC000028655890 561946859 /nfs/dbraw/zinc/94/68/59/561946859.db2.gz ONZZXSSEWMDVCA-UHFFFAOYSA-N -1 0 571.678 5.506 1 0 KKAFRM CCCCCCOc1cc(-c2cc(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)ccc1OC ZINC000028703048 561947620 /nfs/dbraw/zinc/94/76/20/561947620.db2.gz YLZNOBTVIDYVKA-UHFFFAOYSA-N -1 0 690.790 5.882 1 0 KKAFRM COc1ccc(O[C@@H](COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000028704675 561948820 /nfs/dbraw/zinc/94/88/20/561948820.db2.gz MXNLHAGXHFWJTB-QFIPXVFZSA-N -1 0 522.541 6.105 1 0 KKAFRM CC(C)(C)c1ccc(NC(=O)CCC(=O)Nc2ccc(-c3ccc(OCC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000028705145 561948896 /nfs/dbraw/zinc/94/88/96/561948896.db2.gz YBCFDQPVBKKDIX-UHFFFAOYSA-N -1 0 543.447 6.779 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1)c1ccccc21 ZINC000028707171 561949947 /nfs/dbraw/zinc/94/99/47/561949947.db2.gz IANSYGGLLGYEIV-CLJLJLNGSA-N -1 0 570.661 5.911 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccc(O)cc3O)cc2)cc1 ZINC000028755523 561955592 /nfs/dbraw/zinc/95/55/92/561955592.db2.gz FZMFCAOBSMODLI-JGCGQSQUSA-N -1 0 572.682 8.312 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)Nc1cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)ccc1O ZINC000028756692 561956389 /nfs/dbraw/zinc/95/63/89/561956389.db2.gz CYTWCLJZNYAHRM-UHFFFAOYSA-N -1 0 539.587 8.014 1 0 KKAFRM COc1ccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc54)cc3)cc(Br)c2OCC(=O)[O-])c(OC)c1 ZINC000028758350 561957273 /nfs/dbraw/zinc/95/72/73/561957273.db2.gz KJYMPAGIGIWZEW-UHFFFAOYSA-N -1 0 665.605 9.736 1 0 KKAFRM CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[C@H](OC(=O)CCC(=O)[O-])C2 ZINC000028762762 561958571 /nfs/dbraw/zinc/95/85/71/561958571.db2.gz HEBMVDJWWMFEBW-KRWDZBQOSA-N -1 0 598.480 5.064 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C ZINC000028767439 561959951 /nfs/dbraw/zinc/95/99/51/561959951.db2.gz QDKJEEQYGZGXKJ-UHFFFAOYSA-N -1 0 536.654 5.809 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)Cc2ccc(C(F)(F)F)cc2)c1C ZINC000028768153 561960303 /nfs/dbraw/zinc/96/03/03/561960303.db2.gz UIXIDUJBKFHBRP-UHFFFAOYSA-N -1 0 624.641 6.634 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(F)(F)F)c1C ZINC000028767971 561960305 /nfs/dbraw/zinc/96/03/05/561960305.db2.gz TWNPZFARHUKPBV-UHFFFAOYSA-N -1 0 548.543 5.325 1 0 KKAFRM COc1cccc(Sc2c3cc(OC)c(OCc4ccccc4)cc3n(Cc3ccc4c(c3)OCO4)c2C(=O)[O-])c1 ZINC000028770629 561961264 /nfs/dbraw/zinc/96/12/64/561961264.db2.gz OUYVTZBZGJXGRX-UHFFFAOYSA-N -1 0 569.635 6.864 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 ZINC000028819987 561965933 /nfs/dbraw/zinc/96/59/33/561965933.db2.gz HXCAQOXKJBHAOG-GDLZYMKVSA-N -1 0 609.645 7.563 1 0 KKAFRM CC(=O)OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820909 561965996 /nfs/dbraw/zinc/96/59/96/561965996.db2.gz KMRHXMYPPSQILJ-DEOSSOPVSA-N -1 0 532.390 6.028 1 0 KKAFRM COc1ccc([C@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000028820984 561966140 /nfs/dbraw/zinc/96/61/40/561966140.db2.gz UVOUAAFQOMZWKK-LJAQVGFWSA-N -1 0 545.591 6.568 1 0 KKAFRM CSc1ccc([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c(=O)oc3ccccc3c2[O-])cc1 ZINC000028820968 561966144 /nfs/dbraw/zinc/96/61/44/561966144.db2.gz KDQIHACJIMYHED-GDLZYMKVSA-N -1 0 561.659 7.282 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(C(F)(F)F)c1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820961 561966146 /nfs/dbraw/zinc/96/61/46/561966146.db2.gz XVEQRPZDOZYYNU-NDEPHWFRSA-N -1 0 583.562 7.578 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1ccc(Br)cc1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820964 561966188 /nfs/dbraw/zinc/96/61/88/561966188.db2.gz PDSOZWDRBTXPJR-MUUNZHRXSA-N -1 0 594.461 7.322 1 0 KKAFRM Cc1cc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c(c1OCC(=O)[O-])CCC2 ZINC000028822321 561966910 /nfs/dbraw/zinc/96/69/10/561966910.db2.gz RWRTYMGJKGDYLQ-UHFFFAOYSA-N -1 0 502.554 6.837 1 0 KKAFRM CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(C(C)(C)C(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000028823593 561968274 /nfs/dbraw/zinc/96/82/74/561968274.db2.gz DTZKZNPNNCEVDZ-UHFFFAOYSA-N -1 0 598.556 7.027 1 0 KKAFRM CCC(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824036 561968776 /nfs/dbraw/zinc/96/87/76/561968776.db2.gz KQVXJRGYCXLEJP-UHFFFAOYSA-N -1 0 509.650 7.333 1 0 KKAFRM CCCN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824092 561968852 /nfs/dbraw/zinc/96/88/52/561968852.db2.gz MXDUECRJFKOPDQ-UHFFFAOYSA-N -1 0 617.765 9.085 1 0 KKAFRM CCCN1c2ccc(NS(=O)(=O)CCC)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824145 561969161 /nfs/dbraw/zinc/96/91/61/561969161.db2.gz ZGQVDYPFNQVUGH-UHFFFAOYSA-N -1 0 587.786 7.916 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825463 561970790 /nfs/dbraw/zinc/97/07/90/561970790.db2.gz HSTVLXWZJQXEFX-UHFFFAOYSA-N -1 0 505.464 6.117 1 0 KKAFRM COc1cccc(-c2nc3ccc(C(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])cc3nc2-c2cccc(OC)c2)c1 ZINC000028879851 561976565 /nfs/dbraw/zinc/97/65/65/561976565.db2.gz NRMHEBCJGYLDMP-PMERELPUSA-N -1 0 588.620 5.594 1 0 KKAFRM CC(=O)N(c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1)C(C)C ZINC000028894076 561978779 /nfs/dbraw/zinc/97/87/79/561978779.db2.gz FPCOZRWDVAYAIQ-UHFFFAOYSA-N -1 0 628.745 7.223 1 0 KKAFRM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028897074 561979250 /nfs/dbraw/zinc/97/92/50/561979250.db2.gz HYCDEKUTIVZNDE-UHFFFAOYSA-N -1 0 626.860 5.441 1 0 KKAFRM COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1cc(CCC(=O)c2ccc(O)cc2)c(OC)cc1OC ZINC000028968096 561985460 /nfs/dbraw/zinc/98/54/60/561985460.db2.gz QFWXEYRQNKRQDH-MUUNZHRXSA-N -1 0 542.628 6.409 1 0 in-vivo KKAFRM CCCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972057 561985992 /nfs/dbraw/zinc/98/59/92/561985992.db2.gz JTHIGAJBJXDELA-FQEVSTJZSA-N -1 0 540.673 7.445 1 0 KKAFRM CCCCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972090 561985996 /nfs/dbraw/zinc/98/59/96/561985996.db2.gz AUYMQQZRLPEWIO-NRFANRHFSA-N -1 0 554.700 7.835 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC2CCCCC2)cc1 ZINC000028974066 561986265 /nfs/dbraw/zinc/98/62/65/561986265.db2.gz VVOMUIBXQQMBGG-MFMCTBQISA-N -1 0 570.711 5.724 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccccc1-c1ccccc1 ZINC000028973951 561986266 /nfs/dbraw/zinc/98/62/66/561986266.db2.gz RXXRCOPYYHNIIS-GGXMVOPNSA-N -1 0 550.636 5.268 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Oc2ccccc2)cc1 ZINC000028974109 561986272 /nfs/dbraw/zinc/98/62/72/561986272.db2.gz PUGFRSOVVAORPJ-VAVYLYDRSA-N -1 0 566.635 5.394 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973568 561986297 /nfs/dbraw/zinc/98/62/97/561986297.db2.gz IHXYDMMVEDLUPK-DHIUTWEWSA-N -1 0 540.563 5.283 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978086 561987546 /nfs/dbraw/zinc/98/75/46/561987546.db2.gz CKXJADBCEBWSHG-NSOVKSMOSA-N -1 0 610.733 5.108 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCc3ccccc3)CC[C@H]2C(=O)[O-])c1 ZINC000029045082 561992422 /nfs/dbraw/zinc/99/24/22/561992422.db2.gz SYXYLISWDVAZME-GDLZYMKVSA-N -1 0 552.627 6.441 1 0 KKAFRM Cc1cc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc(C)c1O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029051476 561994427 /nfs/dbraw/zinc/99/44/27/561994427.db2.gz KRSDONHKIAXHAC-HKBQPEDESA-N -1 0 613.761 6.288 1 0 KKAFRM COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)cc1 ZINC000029123764 561996988 /nfs/dbraw/zinc/99/69/88/561996988.db2.gz CNTQGDRAAHSWDB-SANMLTNESA-N -1 0 532.612 5.883 1 0 KKAFRM O=C([O-])CCC/C=C\c1c(Cc2cccnc2)ccc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029202896 562004750 /nfs/dbraw/zinc/00/47/50/562004750.db2.gz BKPPBKJHSDOPPX-PNHLZPSZSA-N -1 0 525.070 5.430 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2ccccc2c1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029210405 562005708 /nfs/dbraw/zinc/00/57/08/562005708.db2.gz JBQIMJBYDBPKHX-FQLXRVMXSA-N -1 0 638.592 6.020 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ncccc21 ZINC000029214828 562006361 /nfs/dbraw/zinc/00/63/61/562006361.db2.gz VEDMGEVPPMSBFU-URLMMPGGSA-N -1 0 696.632 5.591 1 0 KKAFRM O=C([O-])[C@H](CCc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029215708 562006480 /nfs/dbraw/zinc/00/64/80/562006480.db2.gz DUAIOZPFMYOJPV-UIOOFZCWSA-N -1 0 602.559 5.257 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029217345 562006690 /nfs/dbraw/zinc/00/66/90/562006690.db2.gz VKYBCBMSAYASIX-QHCPKHFHSA-N -1 0 560.478 5.392 1 0 KKAFRM C[C@@](Cc1ccccc1)(NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029217370 562006728 /nfs/dbraw/zinc/00/67/28/562006728.db2.gz UZPCMZSMKQMINA-RNAHPLFWSA-N -1 0 602.559 5.257 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000029218069 562006865 /nfs/dbraw/zinc/00/68/65/562006865.db2.gz FTQRMPGHGDAZMV-UALKVDKFSA-N -1 0 703.708 5.345 1 0 KKAFRM CCCCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000029325349 562013342 /nfs/dbraw/zinc/01/33/42/562013342.db2.gz LJPWCUGCUMKLIH-UHFFFAOYSA-N -1 0 610.846 7.581 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3ccc4ccccc4c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000029325070 562013365 /nfs/dbraw/zinc/01/33/65/562013365.db2.gz RHGWTZLTHWILHB-UHFFFAOYSA-N -1 0 586.197 9.619 1 0 KKAFRM COc1ccccc1N1CCN(CCCOc2ccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)cc2OCc2ccccc2)CC1 ZINC000029326948 562013540 /nfs/dbraw/zinc/01/35/40/562013540.db2.gz PWGKDARGXJMRHC-UHFFFAOYSA-N -1 0 661.799 6.916 1 0 KKAFRM CCCOc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-] ZINC000029251752 562011240 /nfs/dbraw/zinc/01/12/40/562011240.db2.gz YPBPZJHPGUUGME-GMQQYTKMSA-N -1 0 504.583 5.406 1 0 KKAFRM C/C(=C\C(=O)[O-])c1cc2c(cccc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OCC(F)(F)F)s1 ZINC000029339432 562014895 /nfs/dbraw/zinc/01/48/95/562014895.db2.gz XNZQZHPNELIADG-LFIBNONCSA-N -1 0 504.614 8.592 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(CSc3ccccc3)cs2)c1 ZINC000029342929 562015754 /nfs/dbraw/zinc/01/57/54/562015754.db2.gz UJNNARZFPPTALZ-LKCJCFKCSA-N -1 0 629.913 9.495 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000029347938 562016641 /nfs/dbraw/zinc/01/66/41/562016641.db2.gz DOIVJLSCACGVGR-IEECAZRNSA-N -1 0 616.663 6.400 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3cscn3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000029335131 562014197 /nfs/dbraw/zinc/01/41/97/562014197.db2.gz NNVBLNBINLNDML-UHFFFAOYSA-N -1 0 543.154 7.922 1 0 KKAFRM COc1ccc(C2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4ccnc5ccccc54)cc3)C(=O)[O-])CCCC2)cc1 ZINC000029410786 562021676 /nfs/dbraw/zinc/02/16/76/562021676.db2.gz IKVJIZOLXQQMNM-NDEPHWFRSA-N -1 0 537.616 5.120 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)O[C@@H](C)c3ccccc3)ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000029466529 562024512 /nfs/dbraw/zinc/02/45/12/562024512.db2.gz YSWHREGDDIVEIE-IBGZPJMESA-N -1 0 547.991 5.909 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029475993 562026442 /nfs/dbraw/zinc/02/64/42/562026442.db2.gz ZMBSWXHULOPCIY-UHFFFAOYSA-N -1 0 573.715 5.724 1 0 KKAFRM C=C(C(=O)N1C[C@@H]2[C@](C(=O)[O-])(C1)[C@@H]1CC[C@@]2(c2ccc3c(c2)CCO3)c2ccccc21)c1ccccc1OC ZINC000029477249 562026552 /nfs/dbraw/zinc/02/65/52/562026552.db2.gz PLBCYIBFZOZCMD-PIQFPXANSA-N -1 0 521.613 5.050 1 0 KKAFRM CCCS(=O)(=O)c1cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(C(=O)[O-])cc1 ZINC000029489440 562029073 /nfs/dbraw/zinc/02/90/73/562029073.db2.gz OKELITCEOCXTNO-LOSJGSFVSA-N -1 0 646.780 6.367 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1cc2c(cc1Br)CC[C@H](C(=O)[O-])O2 ZINC000029546595 562029990 /nfs/dbraw/zinc/02/99/90/562029990.db2.gz CUGACTHDKBZJSV-JOCHJYFZSA-N -1 0 535.431 5.716 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2cc(CC(C)C)sc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000029562247 562033523 /nfs/dbraw/zinc/03/35/23/562033523.db2.gz CSOGXUCCWJNWIV-UHFFFAOYSA-N -1 0 586.783 6.705 1 0 KKAFRM O=C([O-])CCCC/C=C(/c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 ZINC000029566975 562034565 /nfs/dbraw/zinc/03/45/65/562034565.db2.gz ZNRZNAHHOIANAO-MUXKCCDJSA-N -1 0 529.681 7.294 1 0 KKAFRM CCC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000034799773 562040634 /nfs/dbraw/zinc/04/06/34/562040634.db2.gz VJMYLKNTGZJGFQ-CHQNGUEUSA-N -1 0 707.817 6.375 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799788 562040641 /nfs/dbraw/zinc/04/06/41/562040641.db2.gz POAFNNRQISTGEJ-QUBOUHRKSA-N -1 0 657.804 7.130 1 0 KKAFRM CCCCc1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C2Cc3ccccc3C2)cc1 ZINC000035087301 562044777 /nfs/dbraw/zinc/04/47/77/562044777.db2.gz RRPXHJYJEJESBN-UHFFFAOYSA-N -1 0 513.638 5.435 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802395 562041883 /nfs/dbraw/zinc/04/18/83/562041883.db2.gz DJUDJCFUDCLJSQ-UHFFFAOYSA-N -1 0 545.523 5.691 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccc5F)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802371 562041907 /nfs/dbraw/zinc/04/19/07/562041907.db2.gz GVQBOJQAYUWFEZ-UHFFFAOYSA-N -1 0 546.511 5.086 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000036175911 562049097 /nfs/dbraw/zinc/04/90/97/562049097.db2.gz QVYYLUKFJCBJPC-SSEXGKCCSA-N -1 0 519.601 6.095 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCO)cc1 ZINC000035275095 562045127 /nfs/dbraw/zinc/04/51/27/562045127.db2.gz XBZOZISQGZLAKL-UHFFFAOYSA-N -1 0 526.032 6.787 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCC(=O)[O-])CC[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 ZINC000035570530 562045264 /nfs/dbraw/zinc/04/52/64/562045264.db2.gz PWSMDEUHKJXBGS-JBRUBANPSA-N -1 0 514.747 6.777 1 0 KKAFRM CN(C)C(=O)CCS[C@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268370 562052457 /nfs/dbraw/zinc/05/24/57/562052457.db2.gz UEQKTSFDQCPOSN-RUZDIDTESA-N -1 0 519.088 5.885 1 0 KKAFRM C[C@@H](CS[C@@H](CCc1ccccc1C(=O)N(C)CO)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268442 562052533 /nfs/dbraw/zinc/05/25/33/562052533.db2.gz PZVKOQTVIUEKOI-JRPXNJEYSA-N -1 0 593.145 6.617 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)ccc1OCC(=O)[O-] ZINC000037866898 562062295 /nfs/dbraw/zinc/06/22/95/562062295.db2.gz SCUJVBGQGKKGBG-UHFFFAOYSA-N -1 0 594.464 6.959 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] ZINC000037866906 562062297 /nfs/dbraw/zinc/06/22/97/562062297.db2.gz SRWPNLNKDRQTGQ-UHFFFAOYSA-N -1 0 576.489 8.289 1 0 KKAFRM Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] ZINC000037866916 562062310 /nfs/dbraw/zinc/06/23/10/562062310.db2.gz BWJLROJDSHHWFJ-UHFFFAOYSA-N -1 0 576.558 9.122 1 0 KKAFRM Cc1nc(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c(-c2ccc(Cl)cc2)o1 ZINC000036350418 562058084 /nfs/dbraw/zinc/05/80/84/562058084.db2.gz RLWCSFNCSWFWBW-UHFFFAOYSA-N -1 0 542.035 8.103 1 0 KKAFRM CN(C)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000036350412 562058125 /nfs/dbraw/zinc/05/81/25/562058125.db2.gz XUMVNVAISTUOEN-UHFFFAOYSA-N -1 0 580.128 8.872 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(OC(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] ZINC000037866908 562062323 /nfs/dbraw/zinc/06/23/23/562062323.db2.gz VUNLJZCICIDKRJ-UHFFFAOYSA-N -1 0 592.488 8.169 1 0 KKAFRM CCN(CC)C(=O)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036351403 562058236 /nfs/dbraw/zinc/05/82/36/562058236.db2.gz AEYGSVAIGHARQY-UHFFFAOYSA-N -1 0 606.642 5.251 1 0 KKAFRM CCCC1CCC(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000036351411 562058360 /nfs/dbraw/zinc/05/83/60/562058360.db2.gz FTYSYSFLUFOSSA-UHFFFAOYSA-N -1 0 549.590 6.183 1 0 KKAFRM O=C([O-])Cc1ccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000037866932 562062342 /nfs/dbraw/zinc/06/23/42/562062342.db2.gz GIVLJFANLOYRFJ-UHFFFAOYSA-N -1 0 535.767 5.998 1 0 KKAFRM O=C([O-])Cc1cccc(-c2noc(-c3ccccc3Cl)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 ZINC000037866939 562062377 /nfs/dbraw/zinc/06/23/77/562062377.db2.gz JYAAMGHQVBAUOL-UHFFFAOYSA-N -1 0 545.806 6.405 1 0 KKAFRM CC(C)(Oc1ccc(CNC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(F)(F)F)cc1)C(=O)[O-] ZINC000036757876 562061370 /nfs/dbraw/zinc/06/13/70/562061370.db2.gz HCSJCPSQGSDDFT-UHFFFAOYSA-N -1 0 532.462 6.020 1 0 KKAFRM O=C([O-])c1cc(-c2ccc(-c3c(-c4ccc5c(c4)OCO5)noc3-c3ccsc3)cc2)nc2ccccc21 ZINC000038140345 562062844 /nfs/dbraw/zinc/06/28/44/562062844.db2.gz YJLRLBPNNUFJEB-UHFFFAOYSA-N -1 0 518.550 7.379 3 0 KKAFRM COc1cc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145767 562064549 /nfs/dbraw/zinc/06/45/49/562064549.db2.gz PRKFUHFQCDGDDE-OZXSUGGESA-N -1 0 558.052 5.562 3 0 KKAFRM CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@H](COc1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000038149592 562066033 /nfs/dbraw/zinc/06/60/33/562066033.db2.gz NIFOQZBOAOCXKN-HSZRJFAPSA-N -1 0 575.933 6.926 1 0 KKAFRM CC1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOCC(=O)[O-])c3S1 ZINC000038158067 562070010 /nfs/dbraw/zinc/07/00/10/562070010.db2.gz AXHIEUTYFUDEKB-QFIPXVFZSA-N -1 0 599.152 7.664 1 0 KKAFRM C[C@@H](SCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158078 562070067 /nfs/dbraw/zinc/07/00/67/562070067.db2.gz NKIWADZHZNTNNU-DHIUTWEWSA-N -1 0 629.247 8.770 1 0 KKAFRM CC(C)C(=O)c1ccc(OCc2ccc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc3)cc2)cc1 ZINC000038257599 562070761 /nfs/dbraw/zinc/07/07/61/562070761.db2.gz JGTIIKHYSZFICL-AREMUKBSSA-N -1 0 509.624 5.159 1 0 in-vitro KKAFRM O=C([O-])CCCCNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377653 562071631 /nfs/dbraw/zinc/07/16/31/562071631.db2.gz ANYUCRJJKHLZON-DQEYMECFSA-N -1 0 680.326 5.846 1 0 KKAFRM C[C@@H](C(=O)[O-])c1cccc2ccc(OCCCOc3ccc(CC(=O)NCCc4ccccc4)cc3)cc21 ZINC000040403433 562074688 /nfs/dbraw/zinc/07/46/88/562074688.db2.gz ICTRYYTTXDUIMC-HSZRJFAPSA-N -1 0 511.618 5.777 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)[O-])cn(C)c2c1 ZINC000039258291 562072973 /nfs/dbraw/zinc/07/29/73/562072973.db2.gz JTRRVYQZHXAOGI-UHFFFAOYSA-N -1 0 550.442 7.911 1 0 in-vitro KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(ccn2Cc2cccc(C(=O)[O-])c2)c1 ZINC000039289726 562072995 /nfs/dbraw/zinc/07/29/95/562072995.db2.gz FCSGTZIUJUNGAC-UHFFFAOYSA-N -1 0 535.427 8.052 1 0 in-vitro KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000040405605 562074948 /nfs/dbraw/zinc/07/49/48/562074948.db2.gz SIVVDUDKHBTSKI-CLOONOSVSA-N -1 0 505.615 5.796 1 0 in-vitro KKAFRM CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000040566788 562078001 /nfs/dbraw/zinc/07/80/01/562078001.db2.gz DMPHLXCNYAYZNW-VRGBNVQASA-N -1 0 526.802 8.585 1 0 KKAFRM COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@H]21 ZINC000040614177 562078534 /nfs/dbraw/zinc/07/85/34/562078534.db2.gz VVMGZVYQOSAGQE-ZXMWXTMJSA-N -1 0 530.746 6.815 1 0 KKAFRM CCOc1cc(F)c(C[C@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847354 562080432 /nfs/dbraw/zinc/08/04/32/562080432.db2.gz KGCCMHIRXXLQQG-IDWMWTGGSA-N -1 0 507.646 6.276 1 0 KKAFRM C[C@H](Cc1ccc(OCCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040899219 562083281 /nfs/dbraw/zinc/08/32/81/562083281.db2.gz CLUGNJBSPRTJQL-XMMPIXPASA-N -1 0 503.639 5.431 1 0 KKAFRM CC1(C)C[C@@H](OC(=O)c2ccccc2)[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000042806677 562089828 /nfs/dbraw/zinc/08/98/28/562089828.db2.gz LVUITJIRGWGGRG-YNZRGXEZSA-N -1 0 574.802 8.277 1 0 KKAFRM COc1ccc2c(=O)cc(-c3ccc(O)c(-c4c(=O)cc([O-])c5c(O)cc(-c6ccc(O)cc6)oc4-5)c3)oc2c1 ZINC000070450806 560049231 /nfs/dbraw/zinc/04/92/31/560049231.db2.gz LZEKELFEQPQVCM-UHFFFAOYSA-N -1 0 536.492 5.731 1 0 biogenic,in-vitro KKAFRM CC1(C)CCC[C@@]2(C)[C@@H]1CC(=O)[C@]13CC[C@H]4[C@H](C(=O)[O-])[C@@]5(C)CCCC(C)(C)[C@H]5C[C@@]4(OC(=O)[C@H]21)O3 ZINC000095913988 560056238 /nfs/dbraw/zinc/05/62/38/560056238.db2.gz ODGNNLIOBJLXBP-AHCHEFLXSA-N -1 0 500.676 5.764 1 0 biogenic,in-vitro KKAFRM COc1cc(O)c2c(c1)O[C@@H](c1ccc(Oc3cc(-c4cc(=O)c5c(O)cc([O-])cc5o4)ccc3O)cc1)CC2=O ZINC000086050540 560066033 /nfs/dbraw/zinc/06/60/33/560066033.db2.gz TZBLLOYCSKFUSP-RUZDIDTESA-N -1 0 554.507 5.790 1 0 biogenic,in-vitro KKAFRM CC[C@H](O)[C@H](CCCO)Oc1cc([O-])cc2oc(-c3cc(Cc4ccccc4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569394 560069964 /nfs/dbraw/zinc/06/99/64/560069964.db2.gz XTYNSLBUSTUDOY-UIOOFZCWSA-N -1 0 562.659 5.657 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@]23CO[C@@]1(O)C[C@H](O)[C@H]2[C@]1(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]2(C)[C@H]1CC3 ZINC000085530720 560073427 /nfs/dbraw/zinc/07/34/27/560073427.db2.gz OMVRXAPFZSMXHQ-RDMPTYHYSA-N -1 0 516.763 6.403 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@@]23CO[C@@]1(O)C[C@]14C=CC[C@]5([C@H](CC1)C[C@@]1(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]1(C)[C@H]5CC2)[C@@H]34 ZINC000085530735 560073446 /nfs/dbraw/zinc/07/34/46/560073446.db2.gz CMPNBCSTVVJJOT-UKFQEQEJSA-N -1 0 550.824 7.988 1 0 biogenic,in-vitro KKAFRM CCC[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1(CO2)[C@]3(CO)[C@@]54C ZINC000085530696 560073453 /nfs/dbraw/zinc/07/34/53/560073453.db2.gz BWPSGYSDNMXCNJ-ZXWAEAEQSA-N -1 0 556.828 7.040 1 0 biogenic,in-vitro KKAFRM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)[C@H](O)C[C@@H]3[C@H](c4ccnc(N)c4)CC[C@@H]32)[C@H](O)C1 ZINC000085492537 560075187 /nfs/dbraw/zinc/07/51/87/560075187.db2.gz MXIYRMHMXASONI-RWCVXFQXSA-N -1 0 586.814 5.195 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CC[C@@H](CCC(=O)[O-])CCC(C)C)CCc2c(CC)cccc2CC1 ZINC000085490781 560075433 /nfs/dbraw/zinc/07/54/33/560075433.db2.gz QXZAGTISTZDFAM-QWVVJYGOSA-N -1 0 598.909 8.369 1 0 biogenic,in-vitro KKAFRM CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)[O-])CCc2ccccc2CC1 ZINC000085490731 560075438 /nfs/dbraw/zinc/07/54/38/560075438.db2.gz NYDUEMZPWQBJGL-JXLRDNMZSA-N -1 0 516.719 5.115 1 0 biogenic,in-vitro KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@@H]1O[C@@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175674 560197399 /nfs/dbraw/zinc/19/73/99/560197399.db2.gz BBMULGJBVDDDNI-KWYDDDQSSA-N -1 0 590.798 5.842 1 0 in-vitro KKAFRM CC(C)(C)Sc1c2cc(OCc3ccccn3)ccc2n(Cc2ccc(-c3ncccn3)cc2)c1CC(C)(C)C(=O)[O-] ZINC000043022647 562644971 /nfs/dbraw/zinc/64/49/71/562644971.db2.gz HKMFVKRDAUAEAG-UHFFFAOYSA-N -1 0 580.754 7.665 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C\Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(Cl)cc32)cc1 ZINC000043068109 562645459 /nfs/dbraw/zinc/64/54/59/562645459.db2.gz VWXKUHBUBXZWML-FPLPWBNLSA-N -1 0 553.014 5.788 1 0 KKAFRM O=S(=O)([N-]c1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000043075662 562645694 /nfs/dbraw/zinc/64/56/94/562645694.db2.gz PXRPGWWOEVBVOR-UHFFFAOYSA-N -1 0 517.484 7.799 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000043197267 562646831 /nfs/dbraw/zinc/64/68/31/562646831.db2.gz UHZSDVNOWGZQIJ-DEOSSOPVSA-N -1 0 543.632 7.985 1 0 KKAFRM COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)cc1 ZINC000043524529 562649093 /nfs/dbraw/zinc/64/90/93/562649093.db2.gz SBQZKKBGRNQKBM-BUQVXQDWSA-N -1 0 616.883 9.507 1 0 KKAFRM COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)cc1 ZINC000043524519 562649112 /nfs/dbraw/zinc/64/91/12/562649112.db2.gz SBQZKKBGRNQKBM-SCXKXSFSSA-N -1 0 616.883 9.507 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccc(Br)cc1)C2 ZINC000043532083 562649258 /nfs/dbraw/zinc/64/92/58/562649258.db2.gz QMLMMQAWSDFSKB-AREMUKBSSA-N -1 0 526.383 5.107 1 0 KKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1 ZINC000043543853 562649449 /nfs/dbraw/zinc/64/94/49/562649449.db2.gz GUFJKCVSAILOEH-LLVKDONJSA-N -1 0 549.876 6.911 1 0 KKAFRM [O-]c1c(Br)cc(Br)cc1Oc1c(O)cc(Br)cc1Br ZINC000043544073 562649610 /nfs/dbraw/zinc/64/96/10/562649610.db2.gz FJIJWARHPUGHGQ-UHFFFAOYSA-N -1 0 517.793 5.940 1 0 KKAFRM C[C@@H](C(=O)[O-])c1ccc2c3cc(Cl)ccc3n(Cc3cccc(NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)c3)c2c1 ZINC000043544044 562649618 /nfs/dbraw/zinc/64/96/18/562649618.db2.gz BAYGSTGKAYTEQD-UIYLQKGOSA-N -1 0 605.160 6.349 1 0 KKAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000043552629 562649651 /nfs/dbraw/zinc/64/96/51/562649651.db2.gz DYZSVWAIMLXXMW-UHFFFAOYSA-N -1 0 557.466 5.043 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044265542 562652805 /nfs/dbraw/zinc/65/28/05/562652805.db2.gz CLYIJNHXCLGLOW-MRLTYDNFSA-N -1 0 630.760 10.215 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCCCCCCCCc1cc(N)cc(CC(=O)[O-])c1)[C@@H]2O ZINC000044304980 562653323 /nfs/dbraw/zinc/65/33/23/562653323.db2.gz NYQVSNROMYMKQE-VDAJJNOOSA-N -1 0 603.888 8.969 1 0 KKAFRM CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)COS(=O)(=O)[O-] ZINC000044351518 562654709 /nfs/dbraw/zinc/65/47/09/562654709.db2.gz KCHRANFEUBAZTH-UBMCIHALSA-N -1 0 540.807 6.019 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)[C@@H](OC(=O)c6ccc(O)cc6)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]2C1 ZINC000044352255 562655116 /nfs/dbraw/zinc/65/51/16/562655116.db2.gz QNPDXTIZTMEDPN-QGVAWUPOSA-N -1 0 592.817 7.775 1 0 KKAFRM CC[C@@H](C)[C@@H](NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000044352540 562655175 /nfs/dbraw/zinc/65/51/75/562655175.db2.gz LVIRCADOCWBCDI-FGGAVLPOSA-N -1 0 611.908 8.191 1 0 KKAFRM CC[C@H](C)[C@@H](NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000044352542 562655188 /nfs/dbraw/zinc/65/51/88/562655188.db2.gz LVIRCADOCWBCDI-CFUOIPHMSA-N -1 0 611.908 8.191 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2cc(Cl)c(NC(=O)Nc3ccccc3Cl)cc2Cl)cc1 ZINC000044358693 562655347 /nfs/dbraw/zinc/65/53/47/562655347.db2.gz HYXDOLUWKMWHER-ROUUACIJSA-N -1 0 594.854 6.550 1 0 KKAFRM COc1cc(C)c2c(c1)O[C@@]1(C)Cc3cc4c(c(O)c3[C@@H]2O1)C(=O)c1c(O)c(Cl)c([O-])c(Cl)c1C4(C)C ZINC000044386840 562655972 /nfs/dbraw/zinc/65/59/72/562655972.db2.gz ZGJMIZXNGYVIRM-IXCJQBJRSA-N -1 0 543.399 6.068 1 0 KKAFRM CC(C)c1onc(COc2c(Cl)cc(F)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404378 562656410 /nfs/dbraw/zinc/65/64/10/562656410.db2.gz OLXIKSCPGNDGSA-VOTSOKGWSA-N -1 0 590.862 8.924 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)C4CCCCC4)cc3)cc2)cc1)C(=O)[O-] ZINC000044405816 562656728 /nfs/dbraw/zinc/65/67/28/562656728.db2.gz CYVZQRKPMGDNKM-GDLZYMKVSA-N -1 0 549.689 6.083 1 0 KKAFRM CC(C)c1onc(COc2ccccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044405940 562656737 /nfs/dbraw/zinc/65/67/37/562656737.db2.gz QZVZJGSLHFLYBE-ZHACJKMWSA-N -1 0 538.427 8.131 1 0 KKAFRM COC(=O)[C@@H]1[C@@H](OS(=O)(=O)[O-])CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@H]([C@H](C)C[C@@H](O)C=C(C)C)[C@@]1(C)CC3 ZINC000044430459 562657538 /nfs/dbraw/zinc/65/75/38/562657538.db2.gz CJTOMRNUZCVNGX-WBQUUXFCSA-N -1 0 552.774 6.040 1 0 KKAFRM Cc1ccc(-c2c(SCC(=O)Nc3ccc(-c4ccc(OCC(=O)[O-])cc4)cc3Cl)ccn2C)c(Cl)c1 ZINC000044430514 562657544 /nfs/dbraw/zinc/65/75/44/562657544.db2.gz MNXOCSPFGUAMNJ-UHFFFAOYSA-N -1 0 555.483 7.169 1 0 KKAFRM CC(C)(C)c1ccc(-c2c[nH]nc2OCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000044430690 562657645 /nfs/dbraw/zinc/65/76/45/562657645.db2.gz JLJKYEKBNAPOGV-UHFFFAOYSA-N -1 0 552.458 6.993 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000045287101 562660220 /nfs/dbraw/zinc/66/02/20/562660220.db2.gz SLCBBINUUITQFO-SANMLTNESA-N -1 0 503.605 5.342 1 0 KKAFRM O=C1c2ccccc2S[C@@H](c2c[nH]c3ccccc32)N1c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000045288175 562660235 /nfs/dbraw/zinc/66/02/35/562660235.db2.gz WCJIXYBECUTCQM-MHZLTWQESA-N -1 0 512.616 5.815 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)[C@H]1CCCc2ccccc21 ZINC000045350291 562661732 /nfs/dbraw/zinc/66/17/32/562661732.db2.gz ZTFHATCSSCJYIL-LJAQVGFWSA-N -1 0 512.005 7.551 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000045357856 562661957 /nfs/dbraw/zinc/66/19/57/562661957.db2.gz IELOKBJPULMYRW-KECSPFHLSA-N -1 0 530.790 8.905 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(F)c3F)ccc2CCC(=O)[O-])c1 ZINC000045366810 562662098 /nfs/dbraw/zinc/66/20/98/562662098.db2.gz DAPQMHVIKFLWDP-AREMUKBSSA-N -1 0 509.593 6.695 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccccc3Cl)ccc2CCC(=O)[O-])c1 ZINC000045367075 562662102 /nfs/dbraw/zinc/66/21/02/562662102.db2.gz MXQJLUASAXQHCM-HHHXNRCGSA-N -1 0 508.058 7.070 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cccc(Cl)c3)ccc2CCC(=O)[O-])c1 ZINC000045369940 562662202 /nfs/dbraw/zinc/66/22/02/562662202.db2.gz VSONIJBYVAGXHF-MUUNZHRXSA-N -1 0 508.058 7.070 1 0 KKAFRM CS(=O)(=O)Nc1cccc(-c2nc(C(c3ccc(F)cc3)c3ccc(F)cc3)sc2CC(=O)[O-])c1 ZINC000045372034 562662244 /nfs/dbraw/zinc/66/22/44/562662244.db2.gz HPMMJZLXNSUBFH-UHFFFAOYSA-N -1 0 514.575 5.267 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1scc(-c2ccc3ccccc3c2)c1C(=O)OCc1ccccc1 ZINC000045391000 562662574 /nfs/dbraw/zinc/66/25/74/562662574.db2.gz LTAAJRYNIKWAMI-ZEQRLZLVSA-N -1 0 513.615 6.755 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(CC(=O)[O-])c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049034149 562663482 /nfs/dbraw/zinc/66/34/82/562663482.db2.gz SGPLBNVKPYVVGW-UHFFFAOYSA-N -1 0 513.537 7.019 1 0 KKAFRM CC(=O)c1cn(CC(=O)COc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(C(=O)[O-])cc12 ZINC000049035692 562663566 /nfs/dbraw/zinc/66/35/66/562663566.db2.gz KHTUUPXVZQXOJJ-UHFFFAOYSA-N -1 0 511.452 6.001 1 0 KKAFRM COc1ccc(-c2nc(COc3cccc(CN(CC(=O)[O-])C(=O)Oc4ccc(C)cc4)c3)c(C)o2)cc1 ZINC000049067579 562663953 /nfs/dbraw/zinc/66/39/53/562663953.db2.gz FFHBRHCAYNKEBM-UHFFFAOYSA-N -1 0 516.550 5.632 1 0 KKAFRM CC(C)=CCC[C@@]1(C)Oc2c3c(c(O)cc2O)-c2oc4cc([O-])c(CC=C(C)C)c(O)c4c(=O)c2C[C@@H]31 ZINC000049113059 562664620 /nfs/dbraw/zinc/66/46/20/562664620.db2.gz NNOHQDGLBSBWNG-YVGXBJCXSA-N -1 0 504.579 6.328 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccccn5)cc4c(S(=O)(=O)C(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000049615759 562666651 /nfs/dbraw/zinc/66/66/51/562666651.db2.gz SWWQOAMPMCAOIU-UHFFFAOYSA-N -1 0 641.790 6.960 1 0 KKAFRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000049626225 562667062 /nfs/dbraw/zinc/66/70/62/562667062.db2.gz QUAMCQQOGHXFGQ-UHFFFAOYSA-N -1 0 527.362 6.138 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049694833 562669770 /nfs/dbraw/zinc/66/97/70/562669770.db2.gz LJTPOGJBTKOYFA-PDDLMNHVSA-N -1 0 618.978 5.683 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000049709266 562671238 /nfs/dbraw/zinc/67/12/38/562671238.db2.gz URBDIYADQFVBLP-LJAQVGFWSA-N -1 0 533.584 5.425 1 0 KKAFRM C[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc2[nH]c(C(=O)[O-])cc2c1 ZINC000049745879 562674129 /nfs/dbraw/zinc/67/41/29/562674129.db2.gz NFFYFDLPEGTDLD-QGZVFWFLSA-N -1 0 539.592 5.738 1 0 KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc([O-])c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049756550 562675105 /nfs/dbraw/zinc/67/51/05/562675105.db2.gz MRMMGDLQIQYRDA-JNTXBSKJSA-N -1 0 590.798 5.610 1 0 KKAFRM Cc1ccc(NC(=O)c2[n-]c(C(F)(F)F)nc2-c2ccccc2C(F)(F)F)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049756868 562675300 /nfs/dbraw/zinc/67/53/00/562675300.db2.gz HDHDPRIKYKNFQA-UHFFFAOYSA-N -1 0 586.496 6.666 1 0 KKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000049766548 562677105 /nfs/dbraw/zinc/67/71/05/562677105.db2.gz WIRJDSFCSUNLAH-SANMLTNESA-N -1 0 531.546 6.958 1 0 KKAFRM CC(C)C(=O)N1CCC[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049767317 562677511 /nfs/dbraw/zinc/67/75/11/562677511.db2.gz TYHITTOVFUIEAW-DEOSSOPVSA-N -1 0 599.237 7.913 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@@H]3CCCN3C(=O)c3ccccc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049771786 562678438 /nfs/dbraw/zinc/67/84/38/562678438.db2.gz CZMJSUUPFMVBBO-MHZLTWQESA-N -1 0 633.254 8.571 1 0 KKAFRM CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049771818 562678444 /nfs/dbraw/zinc/67/84/44/562678444.db2.gz WWIOHGHMZYZZAI-DEOSSOPVSA-N -1 0 629.263 8.665 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c([S@@](=O)C(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049774580 562678623 /nfs/dbraw/zinc/67/86/23/562678623.db2.gz RSVONCQLRLKDFH-ZAPUMOQYSA-N -1 0 635.226 7.259 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)o1 ZINC000049774787 562678742 /nfs/dbraw/zinc/67/87/42/562678742.db2.gz CTWLAZLRHVGONE-UHFFFAOYSA-N -1 0 606.315 7.663 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nc([N-]S(=O)(=O)c2cc(Cl)c(Cl)s2)no1 ZINC000049775481 562679101 /nfs/dbraw/zinc/67/91/01/562679101.db2.gz FKSFUQRGCQKPTK-UHFFFAOYSA-N -1 0 606.315 7.663 1 0 KKAFRM O=C([O-])c1cccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)c1 ZINC000049776282 562679336 /nfs/dbraw/zinc/67/93/36/562679336.db2.gz QRSZAEWTIVHVNV-UHFFFAOYSA-N -1 0 679.238 7.914 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNC(=O)OCc2ccccc2)cc1 ZINC000049776389 562679491 /nfs/dbraw/zinc/67/94/91/562679491.db2.gz MAAUCVFWKLYSQR-UHFFFAOYSA-N -1 0 659.182 8.721 1 0 KKAFRM CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1)n1cc([C@@](C)(NC(=O)c2ccsc2)C(C)C)nn1 ZINC000049780097 562681354 /nfs/dbraw/zinc/68/13/54/562681354.db2.gz SGDPFKMGWVEIQU-JHOBJCJYSA-N -1 0 593.706 5.053 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049780822 562682331 /nfs/dbraw/zinc/68/23/31/562682331.db2.gz BZMUHPHCPVKBAC-FNORWQNLSA-N -1 0 576.310 5.969 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049781340 562682941 /nfs/dbraw/zinc/68/29/41/562682941.db2.gz GOEFYRYOHBADTM-JLHYYAGUSA-N -1 0 565.434 5.394 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cccc5ccccc53)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049783919 562683287 /nfs/dbraw/zinc/68/32/87/562683287.db2.gz CDBZRGWQXZFISO-WXKAHTKJSA-N -1 0 580.665 6.430 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049785558 562684037 /nfs/dbraw/zinc/68/40/37/562684037.db2.gz CVBAJVGHQQXFDA-UHFFFAOYSA-N -1 0 529.536 6.855 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000049792822 562684561 /nfs/dbraw/zinc/68/45/61/562684561.db2.gz NHVNKXRITFZVNC-UHFFFAOYSA-N -1 0 599.298 8.207 1 0 KKAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 ZINC000049803208 562686086 /nfs/dbraw/zinc/68/60/86/562686086.db2.gz RMDMQWBLROBEJO-SANMLTNESA-N -1 0 561.497 5.667 1 0 KKAFRM CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=S)[N-]c6ccccc6)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C ZINC000049803702 562686186 /nfs/dbraw/zinc/68/61/86/562686186.db2.gz COHPFPKNFGTJLS-DWTAHWIJSA-N -1 0 591.946 10.215 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CC[C@@H](O)C2)cc1 ZINC000049852129 562688794 /nfs/dbraw/zinc/68/87/94/562688794.db2.gz ODHPFDFHGLILJV-WJOKGBTCSA-N -1 0 702.273 5.781 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049864992 562689334 /nfs/dbraw/zinc/68/93/34/562689334.db2.gz PKHDDSKORXIELY-UHFFFAOYSA-N -1 0 591.607 8.394 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 ZINC000049867218 562689337 /nfs/dbraw/zinc/68/93/37/562689337.db2.gz LSVQRPZKIHNTEO-GDLZYMKVSA-N -1 0 533.584 5.425 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)C1 ZINC000049878208 562690473 /nfs/dbraw/zinc/69/04/73/562690473.db2.gz BKTFKTNMAUVMID-LLVKDONJSA-N -1 0 528.915 5.570 1 0 KKAFRM CC(C)c1onc(COc2c(F)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000049881613 562690948 /nfs/dbraw/zinc/69/09/48/562690948.db2.gz UGWKNILJZSXUDF-MDZDMXLPSA-N -1 0 556.417 8.271 1 0 KKAFRM C[C@H]1C(=O)NCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049888794 562691470 /nfs/dbraw/zinc/69/14/70/562691470.db2.gz UFZHQYRGLLGGSU-MHZLTWQESA-N -1 0 729.299 5.534 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CCSCC2)cc1 ZINC000049889172 562691822 /nfs/dbraw/zinc/69/18/22/562691822.db2.gz WLCWVNNTXMSLJN-UHFFFAOYSA-N -1 0 718.341 6.763 1 0 KKAFRM Cc1cc(C)n(CCS(=O)(=O)NCCc2c(CCCc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)n1 ZINC000049898463 562692586 /nfs/dbraw/zinc/69/25/86/562692586.db2.gz MBZWISPIBNWXIM-UHFFFAOYSA-N -1 0 709.312 7.781 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccncc2)cc1 ZINC000049898636 562692727 /nfs/dbraw/zinc/69/27/27/562692727.db2.gz NGOXLJSKSKCLJH-UHFFFAOYSA-N -1 0 680.226 7.309 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@H]3CNC(C)=O)nc2-c2ccc(C)cc2F)c1 ZINC000049898663 562692734 /nfs/dbraw/zinc/69/27/34/562692734.db2.gz VMKOQEOIJXMLBL-MUUNZHRXSA-N -1 0 649.723 5.704 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CCC(O)CC2)cc1 ZINC000049898900 562693022 /nfs/dbraw/zinc/69/30/22/562693022.db2.gz BCIDNTXIJHEESE-UHFFFAOYSA-N -1 0 716.300 6.171 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CCNC2=S)cc1 ZINC000049899534 562693225 /nfs/dbraw/zinc/69/32/25/562693225.db2.gz HXJHDYQDGNPNOG-UHFFFAOYSA-N -1 0 717.313 5.904 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@H]3C(=O)NC(C)C)nc2-c2ccc(C)cc2)c1 ZINC000049899588 562693266 /nfs/dbraw/zinc/69/32/66/562693266.db2.gz XEPDAVKYYAQBPR-UMSFTDKQSA-N -1 0 645.760 5.953 1 0 KKAFRM CC(=O)N(CCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000049918222 562694610 /nfs/dbraw/zinc/69/46/10/562694610.db2.gz SFXQZNSONSORHP-ZEQRLZLVSA-N -1 0 654.232 7.885 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2coc(C)n2)c1OC ZINC000049926518 562694731 /nfs/dbraw/zinc/69/47/31/562694731.db2.gz KZQNDFFVZLIJCF-MHZLTWQESA-N -1 0 523.626 6.190 1 0 KKAFRM CCCCc1ccc(-c2ccccc2OCC(=O)Nc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2)c(F)c1F ZINC000049942620 562695596 /nfs/dbraw/zinc/69/55/96/562695596.db2.gz NWQCOOHTNXRLBS-UHFFFAOYSA-N -1 0 535.543 6.034 1 0 KKAFRM CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1OC(=O)CCC ZINC000049946814 562695611 /nfs/dbraw/zinc/69/56/11/562695611.db2.gz DAGOKHXMUGNERH-NNEARDRISA-N -1 0 612.892 8.762 1 0 KKAFRM O=c1cc(-c2ccc(OCc3ccc(Cl)nc3)cc2)oc2cc(OCc3ccc(Cl)nc3)cc([O-])c12 ZINC000053276533 562697084 /nfs/dbraw/zinc/69/70/84/562697084.db2.gz BATUOPVUCCEVJZ-UHFFFAOYSA-N -1 0 521.356 6.420 1 0 KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc([O-])c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000058522951 562698537 /nfs/dbraw/zinc/69/85/37/562698537.db2.gz MRMMGDLQIQYRDA-MVJHEQRDSA-N -1 0 590.798 5.610 1 0 KKAFRM CC(=O)O[P@](=O)([O-])[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000058555522 562699253 /nfs/dbraw/zinc/69/92/53/562699253.db2.gz PMEYQZKMPIDPSL-WIZSLEGPSA-N -1 0 646.673 6.433 1 0 KKAFRM C[C@H](CCNC(=O)OCc1ccc(C(=O)[O-])cc1)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058562888 562699324 /nfs/dbraw/zinc/69/93/24/562699324.db2.gz VMSFTJQGIUFPDS-YHWAEDBJSA-N -1 0 541.729 5.628 1 0 KKAFRM C[C@@H](Nc1ccc(C(=O)[O-])cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058563728 562699450 /nfs/dbraw/zinc/69/94/50/562699450.db2.gz XHLLNJOYHVNYNF-CQSZACIVSA-N -1 0 592.401 8.390 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000058591855 562700512 /nfs/dbraw/zinc/70/05/12/562700512.db2.gz PUGRJWDDOOZFET-FRXPANAUSA-N -1 0 601.055 5.078 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2c(Cl)cccc2Cl)=NO1 ZINC000059629847 562702093 /nfs/dbraw/zinc/70/20/93/562702093.db2.gz AVPIHYOGNDHDFW-DCFHFQCYSA-N -1 0 609.293 6.248 1 0 KKAFRM C[C@H](C1=NO[C@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1)c1ccccc1 ZINC000059630049 562702100 /nfs/dbraw/zinc/70/21/00/562702100.db2.gz QYLJGOVKEZPOFK-HMWINLLGSA-N -1 0 568.457 5.696 1 0 KKAFRM CC(C)CCCCCCCCCCCCCCOCCCO[P@](=O)([O-])CO[C@H](CO)Cn1cnc2c1ncnc2N ZINC000059779302 562702282 /nfs/dbraw/zinc/70/22/82/562702282.db2.gz AFYBRMBNNNXCLD-SANMLTNESA-N -1 0 599.754 6.080 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)cc(C)c1 ZINC000060327313 562702736 /nfs/dbraw/zinc/70/27/36/562702736.db2.gz YRJCEWMAXISNJN-DEOSSOPVSA-N -1 0 545.079 6.947 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2c(c1)OCCO2 ZINC000060328081 562702773 /nfs/dbraw/zinc/70/27/73/562702773.db2.gz UGJSUBXSNTWCHH-JOCHJYFZSA-N -1 0 575.061 6.101 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(Cl)cc(Cl)c1 ZINC000060328557 562702818 /nfs/dbraw/zinc/70/28/18/562702818.db2.gz QSWOAJPLPBXEMV-HXUWFJFHSA-N -1 0 585.915 7.637 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000060328559 562702830 /nfs/dbraw/zinc/70/28/30/562702830.db2.gz JBBBCEIFHAHVTJ-AREMUKBSSA-N -1 0 587.160 7.687 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(CNC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2)n1 ZINC000062224424 562704417 /nfs/dbraw/zinc/70/44/17/562704417.db2.gz XURONLXFEDEDTQ-DHIUTWEWSA-N -1 0 515.614 5.097 1 0 KKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)c4ccccc4C(=O)[O-])[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000064446957 562705299 /nfs/dbraw/zinc/70/52/99/562705299.db2.gz RPYFGYAFKMRTJD-BRPGETAVSA-N -1 0 568.795 7.117 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)/C=C\C(=O)[O-])c(C)c(C)c2O1 ZINC000064447841 562705469 /nfs/dbraw/zinc/70/54/69/562705469.db2.gz OSBCDIKAZNCDGT-HGURYZMCSA-N -1 0 508.699 8.133 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 ZINC000064548581 562707829 /nfs/dbraw/zinc/70/78/29/562707829.db2.gz JVDJFEBBTZQZBV-SVBPBHIXSA-N -1 0 582.657 5.238 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-])[C@H]3[C@@H]1CC[C@@H]2O ZINC000066058957 562709187 /nfs/dbraw/zinc/70/91/87/562709187.db2.gz SALSEHUIHYTBRK-CCLNJNCTSA-N -1 0 616.752 9.415 1 0 KKAFRM Cc1ccccc1-c1cnc(N(C)c2ccc(Cl)cc2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-] ZINC000066065949 562709196 /nfs/dbraw/zinc/70/91/96/562709196.db2.gz FRVNKFKLLJOWQY-SANMLTNESA-N -1 0 560.054 6.042 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 ZINC000066058826 562709208 /nfs/dbraw/zinc/70/92/08/562709208.db2.gz SBJWFJAFNSJVJI-KRWDZBQOSA-N -1 0 607.507 6.828 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@@H](O)c1cccc(F)c1Cl ZINC000066066032 562709245 /nfs/dbraw/zinc/70/92/45/562709245.db2.gz NSDMPRXBJOCOJX-QUGAMOGWSA-N -1 0 567.485 5.697 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1ccc(F)cc1Cl ZINC000066066033 562709259 /nfs/dbraw/zinc/70/92/59/562709259.db2.gz OACXAXFUBQXTOY-MRDQGFSESA-N -1 0 567.485 5.697 1 0 KKAFRM Cc1nc(NC(=O)[C@@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000066066165 562709305 /nfs/dbraw/zinc/70/93/05/562709305.db2.gz BJLCEFDFIQCWIA-OAQYLSRUSA-N -1 0 545.011 6.858 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)[C@@H](C1CCCCC1)n1c2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1 ZINC000066073852 562709554 /nfs/dbraw/zinc/70/95/54/562709554.db2.gz PIBRONKWELTHEW-RUZDIDTESA-N -1 0 523.967 7.093 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1cc(F)ccc1Cl ZINC000066074016 562709685 /nfs/dbraw/zinc/70/96/85/562709685.db2.gz QKCQWTVPEPGGDL-MRDQGFSESA-N -1 0 567.485 5.697 1 0 KKAFRM CCOc1ccccc1[C@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000066077519 562710262 /nfs/dbraw/zinc/71/02/62/562710262.db2.gz VKBLREAORYIWRA-NGOKVRLYSA-N -1 0 559.103 5.303 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)c1 ZINC000066079145 562710558 /nfs/dbraw/zinc/71/05/58/562710558.db2.gz CBDFUANPRUDRNM-VWLOTQADSA-N -1 0 523.967 7.093 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 ZINC000066104609 562711758 /nfs/dbraw/zinc/71/17/58/562711758.db2.gz PPBZXPCGKJZRTM-UHFFFAOYSA-N -1 0 578.374 6.675 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)n2cc(-c3ccc(-c4ccccc4COc4cccc5ccccc54)cc3)nn2)cc1 ZINC000066122964 562712404 /nfs/dbraw/zinc/71/24/04/562712404.db2.gz WUZOZLVAEMEMLW-UHFFFAOYSA-N -1 0 561.619 6.280 1 0 KKAFRM Cc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000066148715 562713693 /nfs/dbraw/zinc/71/36/93/562713693.db2.gz LCXCNVBZXSFFOJ-ZCYQVOJMSA-N -1 0 526.452 5.954 3 0 KKAFRM C[C@H](NC(=O)c1cc(Cl)cc2c1N(Cc1ccc(C(F)(F)F)cc1)CC2)c1ccc(C(=O)[O-])cc1 ZINC000066251608 562714538 /nfs/dbraw/zinc/71/45/38/562714538.db2.gz TYLLPEYPUNWQOQ-HNNXBMFYSA-N -1 0 502.920 6.111 1 0 KKAFRM O=C([O-])/C=C/c1ccc(OC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ccccc4NC(=O)C3)CCCC2)cc1 ZINC000071294920 562717013 /nfs/dbraw/zinc/71/70/13/562717013.db2.gz PDAVHWXEODTZRJ-XMHGGMMESA-N -1 0 631.729 7.054 1 0 KKAFRM Cn1c(Br)c(Br)c(Br)c1-c1cc(Br)cc(Br)c1[O-] ZINC000071295531 562717270 /nfs/dbraw/zinc/71/72/70/562717270.db2.gz OXKSYHIMCVKEED-UHFFFAOYSA-N -1 0 567.695 6.210 1 0 KKAFRM CCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071296947 562717677 /nfs/dbraw/zinc/71/76/77/562717677.db2.gz NCWCKTNFULGDMU-HXUWFJFHSA-N -1 0 516.059 6.389 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071315931 562717739 /nfs/dbraw/zinc/71/77/39/562717739.db2.gz CFDMYSOWNDTWLE-LJQANCHMSA-N -1 0 600.055 7.370 1 0 KKAFRM Cc1c(C)c(S(=O)(=O)N(CCCC(F)(F)F)c2cccc(-c3ccc(Cl)cc3)c2C)ccc1O[C@H](C)C(=O)[O-] ZINC000071316741 562718057 /nfs/dbraw/zinc/71/80/57/562718057.db2.gz LKVUTGRIULEFGJ-HXUWFJFHSA-N -1 0 584.056 7.322 1 0 KKAFRM O=C([O-])[C@@H]1Cc2c3ccccc3n(C(=O)c3cccc(F)c3F)c2[C@H]2C=C(Cl)C[C@@H](c3ccc(Br)cc3)N21 ZINC000071317218 562718141 /nfs/dbraw/zinc/71/81/41/562718141.db2.gz WUQLWJCPCPQKOE-GVAUOCQISA-N -1 0 597.843 6.991 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)ccc1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071329960 562719028 /nfs/dbraw/zinc/71/90/28/562719028.db2.gz BVTKQJBNQKCSOL-OAQYLSRUSA-N -1 0 530.086 6.780 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cccnc1 ZINC000071331443 562719277 /nfs/dbraw/zinc/71/92/77/562719277.db2.gz PLAMFCUZJKGWMB-QGOAFFKASA-N -1 0 564.686 6.533 1 0 KKAFRM Cc1nc(C(=O)[C@H](Oc2ccc(SCCCCCc3ccccc3)cc2)C(C)C)sc1CCCC(=O)[O-] ZINC000071332325 562719368 /nfs/dbraw/zinc/71/93/68/562719368.db2.gz JIUDOUCGALEPNX-GDLZYMKVSA-N -1 0 539.763 7.650 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1nc2ccccc2[nH]1 ZINC000071333569 562719479 /nfs/dbraw/zinc/71/94/79/562719479.db2.gz KNQZGLGWDSVTQZ-HMMYKYKNSA-N -1 0 603.723 7.014 1 0 KKAFRM Cc1nc(C(=O)[C@H](C)Oc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)[O-] ZINC000071333742 562719507 /nfs/dbraw/zinc/71/95/07/562719507.db2.gz RWIZIVMQIZHTSD-NRFANRHFSA-N -1 0 511.709 7.014 1 0 KKAFRM Cc1cccnc1-c1c(C2CCCCC2)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cc2n1C ZINC000071334067 562719529 /nfs/dbraw/zinc/71/95/29/562719529.db2.gz WFYQFLLSSKPYMY-XMHGGMMESA-N -1 0 578.713 6.841 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cnco1 ZINC000071340548 562719785 /nfs/dbraw/zinc/71/97/85/562719785.db2.gz CZBHOUBVRQSHQT-LFIBNONCSA-N -1 0 554.647 6.126 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccc(N)cn1 ZINC000071340956 562719882 /nfs/dbraw/zinc/71/98/82/562719882.db2.gz SHKIPWYTBRFCSM-WOJGMQOQSA-N -1 0 579.701 6.115 1 0 KKAFRM CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc12 ZINC000071340970 562719884 /nfs/dbraw/zinc/71/98/84/562719884.db2.gz FKARFQGYDAKAKQ-UHFFFAOYSA-N -1 0 518.557 7.121 1 0 KKAFRM O=C([O-])CCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000071341561 562720031 /nfs/dbraw/zinc/72/00/31/562720031.db2.gz IFIVOQDHVBJTCL-AZGAKELHSA-N -1 0 608.290 6.232 1 0 KKAFRM CO[C@H]1C=C(CC[C@H]2/C(=C/OS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)[C@@H](OC)O1 ZINC000072104680 562720535 /nfs/dbraw/zinc/72/05/35/562720535.db2.gz FKYWBCHSQAJDTQ-CQCHFAHYSA-N -1 0 512.709 6.030 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@@H](Oc3ccc(OCc4ccccc4)cc3)C(=O)[O-])ccc2o1 ZINC000072113126 562722251 /nfs/dbraw/zinc/72/22/51/562722251.db2.gz KLONYSMIKNAABZ-MGBGTMOVSA-N -1 0 588.660 7.620 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(I)cc3)C(=O)[O-])ccc2o1 ZINC000072113478 562722401 /nfs/dbraw/zinc/72/24/01/562722401.db2.gz XZULLPPZXXUMMH-SANMLTNESA-N -1 0 608.432 6.646 1 0 KKAFRM O=C([O-])[C@H](CO)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000072123789 562725038 /nfs/dbraw/zinc/72/50/38/562725038.db2.gz AEQNWAKXCRUVBS-RMMPXIALSA-N -1 0 709.796 5.111 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(c2)C[C@@H](C(=O)[O-])C3)cc1 ZINC000072125185 562725208 /nfs/dbraw/zinc/72/52/08/562725208.db2.gz NECTWCGVXCXHKE-NRFANRHFSA-N -1 0 522.428 7.817 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(Cn2ccc3ccc(C(=O)[O-])cc32)cc1 ZINC000072125987 562725272 /nfs/dbraw/zinc/72/52/72/562725272.db2.gz QIFBFMHDWHANKN-UHFFFAOYSA-N -1 0 535.427 8.052 1 0 KKAFRM C/C(=C\c1cc(-c2ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3-c3ccc(Cl)cc3)cc2)n(C2CCCCC2)n1)C(=O)[O-] ZINC000072131632 562726681 /nfs/dbraw/zinc/72/66/81/562726681.db2.gz KHVPJRYUZJVYCK-NJNXFGOHSA-N -1 0 654.207 8.040 1 0 KKAFRM O=C([O-])CCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000072133978 562727046 /nfs/dbraw/zinc/72/70/46/562727046.db2.gz BYGRZUBINAXJEF-VPUSJEBWSA-N -1 0 622.317 6.622 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3C(=O)[O-])[C@@]2(O)C1 ZINC000072138057 562728618 /nfs/dbraw/zinc/72/86/18/562728618.db2.gz BXANCHVWMRWRPX-GWUNFKCGSA-N -1 0 610.832 7.688 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccccc1Cl ZINC000072179377 562732298 /nfs/dbraw/zinc/73/22/98/562732298.db2.gz FQVWUUJRODLBNO-HSBSSIIGSA-N -1 0 503.957 6.037 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000072316987 562733101 /nfs/dbraw/zinc/73/31/01/562733101.db2.gz NKVLENIRXUJTOR-UHFFFAOYSA-N -1 0 547.655 6.649 1 0 KKAFRM O=C([O-])CN(C1(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)CCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000072316385 562733141 /nfs/dbraw/zinc/73/31/41/562733141.db2.gz LJASMNBCJZEIKW-UHFFFAOYSA-N -1 0 524.853 6.469 1 0 KKAFRM Cc1nn(-c2ccc(F)cc2)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)C(C)(C)C ZINC000073160629 562734030 /nfs/dbraw/zinc/73/40/30/562734030.db2.gz UATKNSLTWCCYOI-HNNXBMFYSA-N -1 0 526.556 5.304 1 0 KKAFRM COc1ccc(CC(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1CN(C(=O)OCc1ccccc1)C1CCC1 ZINC000073162515 562734162 /nfs/dbraw/zinc/73/41/62/562734162.db2.gz JBIYMJVQXSFADE-UHFFFAOYSA-N -1 0 527.539 6.699 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3cccnc3)cc2)nc1 ZINC000073169137 562734832 /nfs/dbraw/zinc/73/48/32/562734832.db2.gz NOUDUNZGBPIGQQ-UHFFFAOYSA-N -1 0 593.793 8.578 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)[O-] ZINC000073197112 562735280 /nfs/dbraw/zinc/73/52/80/562735280.db2.gz VCEKVWGKCWGOBX-DBZIORCRSA-N -1 0 519.751 7.613 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccc(F)cc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000073197354 562735326 /nfs/dbraw/zinc/73/53/26/562735326.db2.gz SGICQOPXUHBZIZ-UHFFFAOYSA-N -1 0 549.646 6.822 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000073275744 562737267 /nfs/dbraw/zinc/73/72/67/562737267.db2.gz RZHJGXXCTIXCRI-DXZZRTBASA-N -1 0 618.855 8.032 1 0 KKAFRM COc1cccc([C@@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)c1 ZINC000073312485 562737907 /nfs/dbraw/zinc/73/79/07/562737907.db2.gz SUUVNWCZSXLJOX-JGCGQSQUSA-N -1 0 599.709 6.699 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(O)cc3)ccc2c1 ZINC000073314068 562737979 /nfs/dbraw/zinc/73/79/79/562737979.db2.gz DWRYOZQMPVMGPY-HKBQPEDESA-N -1 0 585.682 6.396 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6ccc(F)cc6n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082136663 562739015 /nfs/dbraw/zinc/73/90/15/562739015.db2.gz NYMDWHNSBRZCCH-UHFFFAOYSA-N -1 0 677.842 9.570 1 0 KKAFRM O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000082138007 562739102 /nfs/dbraw/zinc/73/91/02/562739102.db2.gz YYVCSHFGHNSUDA-UHFFFAOYSA-N -1 0 638.442 6.676 1 0 KKAFRM O=C(COc1ccc(-c2cc3ccccc3[nH]2)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000082152149 562740000 /nfs/dbraw/zinc/74/00/00/562740000.db2.gz RWRYPSCTOQUAST-UHFFFAOYSA-N -1 0 504.593 5.110 1 0 KKAFRM CCCCCS(=O)(=O)[N-]C(=O)CCc1cc(C2CC2)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000082154352 562740346 /nfs/dbraw/zinc/74/03/46/562740346.db2.gz CZUGCMSQWBYDPK-UHFFFAOYSA-N -1 0 505.990 5.050 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000082154847 562740404 /nfs/dbraw/zinc/74/04/04/562740404.db2.gz ZQKYDWGMDALSOQ-YRLAADBYSA-N -1 0 521.723 7.814 1 0 KKAFRM O=C([O-])Cc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2nc(CCOCc3ccccc3)cs2)c1 ZINC000082158120 562741022 /nfs/dbraw/zinc/74/10/22/562741022.db2.gz IQMKTZJMVCUBEI-UHFFFAOYSA-N -1 0 545.665 6.017 1 0 KKAFRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cc(N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)n2)cc1 ZINC000082170428 562741454 /nfs/dbraw/zinc/74/14/54/562741454.db2.gz LECXGIZIWYJDJT-HKBQPEDESA-N -1 0 702.034 7.674 1 0 KKAFRM COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)[O-])c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc(OC)c1OC ZINC000082170610 562741525 /nfs/dbraw/zinc/74/15/25/562741525.db2.gz ZUZCMEBCENUTKW-ZGPJEIQWSA-N -1 0 638.749 5.282 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000082181739 562741876 /nfs/dbraw/zinc/74/18/76/562741876.db2.gz CGNJSLAZLYEAJR-JMUIDKNASA-N -1 0 667.850 5.300 1 0 KKAFRM CC(C)[C@@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](C(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C ZINC000082186168 562742386 /nfs/dbraw/zinc/74/23/86/562742386.db2.gz NBEXCWSOFZSABN-PVJOKMEKSA-N -1 0 631.690 5.208 1 0 KKAFRM O=c1cc(OCc2ccccc2)cc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(OCc3ccccc3)c([O-])c1-2 ZINC000084564476 562743331 /nfs/dbraw/zinc/74/33/31/562743331.db2.gz JVDLTTOJECGMFV-UHFFFAOYSA-N -1 0 662.738 9.482 1 0 KKAFRM COc1ccc([C@@H](Cc2ccc(-c3cc(C(=O)[O-])on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000084596402 562743693 /nfs/dbraw/zinc/74/36/93/562743693.db2.gz MZRTXTPBAYMJCA-JOCHJYFZSA-N -1 0 501.926 6.126 1 0 KKAFRM CC(C)(C(=O)[O-])c1cnc(C(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c2ccccc21 ZINC000084616327 562744588 /nfs/dbraw/zinc/74/45/88/562744588.db2.gz GWHLMNZOBUDWTE-UHFFFAOYSA-N -1 0 500.982 5.454 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ccoc4CCC3)CCCC2)cc1 ZINC000084633312 562745713 /nfs/dbraw/zinc/74/57/13/562745713.db2.gz BJHHZVIHEHNTEA-SFQUDFHCSA-N -1 0 605.735 7.674 1 0 KKAFRM CCCCN(C(=O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl)c1cccc(C(=O)[O-])c1 ZINC000084634036 562745847 /nfs/dbraw/zinc/74/58/47/562745847.db2.gz RJMSQJXUFVTOKU-UHFFFAOYSA-N -1 0 615.941 9.149 1 0 KKAFRM [O-]c1c(Br)cc([C@H](O)c2nccc3c4cc(Br)ccc4[nH]c32)cc1Br ZINC000084652568 562746571 /nfs/dbraw/zinc/74/65/71/562746571.db2.gz AUGUEGFHBNYNML-KRWDZBQOSA-N -1 0 527.010 5.791 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(Cc2ccccc2)C(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000084652972 562746699 /nfs/dbraw/zinc/74/66/99/562746699.db2.gz WRJFXINCIXIBPR-UHFFFAOYSA-N -1 0 649.958 9.549 1 0 KKAFRM Cc1ccc(-c2cccc(C[C@H](O)/C=C/[C@H]3CCC(=O)N3CCSc3nc(C(=O)[O-])cs3)c2)cc1 ZINC000084668935 562747812 /nfs/dbraw/zinc/74/78/12/562747812.db2.gz PJFILWNETZMJRD-RBJONROZSA-N -1 0 508.665 5.060 1 0 KKAFRM Cc1ccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)[O-])cs4)c3)nc2c1 ZINC000084669705 562748033 /nfs/dbraw/zinc/74/80/33/562748033.db2.gz JCIWYGNAXZWKCG-KSFASEQNSA-N -1 0 549.674 5.201 1 0 KKAFRM CCCN(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000084669907 562748102 /nfs/dbraw/zinc/74/81/02/562748102.db2.gz KQIVWUBTRDKRCR-UHFFFAOYSA-N -1 0 503.595 6.159 1 0 KKAFRM Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)[O-])c(F)c2)c1 ZINC000084670174 562748182 /nfs/dbraw/zinc/74/81/82/562748182.db2.gz JPWZYPXRWUGUJZ-UHFFFAOYSA-N -1 0 525.642 5.695 1 0 KKAFRM CCCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c2)cc1C)CCC ZINC000084670627 562748335 /nfs/dbraw/zinc/74/83/35/562748335.db2.gz WGIFKPLTHFGJCE-XZIKCTTASA-N -1 0 524.742 7.359 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CCCCCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711154 562750630 /nfs/dbraw/zinc/75/06/30/562750630.db2.gz YNLWXOXNYOWCGU-SSEXGKCCSA-N -1 0 627.794 10.326 1 0 KKAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCCCCNC1=O ZINC000084711661 562750683 /nfs/dbraw/zinc/75/06/83/562750683.db2.gz OIIKQCKUPSFILY-UHFFFAOYSA-N -1 0 590.746 5.543 1 0 KKAFRM 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/nfs/dbraw/zinc/78/53/87/562785387.db2.gz JKLLSMKXEMXBDA-BAKTURSRSA-N -1 0 791.898 5.715 1 0 KKAFRM CCC[C@H](NC(=O)[C@@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095613555 562786366 /nfs/dbraw/zinc/78/63/66/562786366.db2.gz UAATUVIJOYTBES-XEDARBIKSA-N -1 0 769.940 5.316 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2ccc(F)c(Cl)c2)cc1 ZINC000095615649 562787429 /nfs/dbraw/zinc/78/74/29/562787429.db2.gz ZGGQQXUABMVAPW-UHFFFAOYSA-N -1 0 763.740 9.256 1 0 KKAFRM COc1cccc(C(=O)Cn2c(=O)c3cc(C4CC4)sc3n(Cc3ccc(-c4ccccc4-c4nc(=O)o[n-]4)cc3)c2=O)c1 ZINC000096169965 562790929 /nfs/dbraw/zinc/79/09/29/562790929.db2.gz NFMSULBFOWOXHJ-UHFFFAOYSA-N -1 0 606.660 5.465 1 0 KKAFRM Cc1cccc(C)c1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000096171974 562791210 /nfs/dbraw/zinc/79/12/10/562791210.db2.gz XLDAXYAARTVRGM-AAVZYEHQSA-N -1 0 624.863 5.998 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(F)c1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171984 562791211 /nfs/dbraw/zinc/79/12/11/562791211.db2.gz WLOLDKMHCGBJNM-BPBHNCSOSA-N -1 0 614.799 5.521 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2c(F)cnn21 ZINC000096178389 562792673 /nfs/dbraw/zinc/79/26/73/562792673.db2.gz KCBHHNRDAGPPMD-UHFFFAOYSA-N -1 0 615.706 5.460 1 0 KKAFRM CC(C)(C)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)[C@@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000096258543 562792871 /nfs/dbraw/zinc/79/28/71/562792871.db2.gz BIUBEXLIOLBQRQ-UMSFTDKQSA-N -1 0 681.855 7.762 1 0 KKAFRM COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)[C@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000096258548 562792877 /nfs/dbraw/zinc/79/28/77/562792877.db2.gz RYTIHZLGOCXTHP-SSEXGKCCSA-N -1 0 629.691 5.184 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000096258566 562792917 /nfs/dbraw/zinc/79/29/17/562792917.db2.gz IPDLKUJERQCVPG-MUUNZHRXSA-N -1 0 605.619 5.445 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2cc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])ccc2F)c(Cl)c1 ZINC000096269877 562793051 /nfs/dbraw/zinc/79/30/51/562793051.db2.gz ASZJCGOCZYMHMB-XGCWNURASA-N -1 0 577.026 5.423 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2)=NO1 ZINC000096271081 562793646 /nfs/dbraw/zinc/79/36/46/562793646.db2.gz BEEUFHHXCZXYSU-WNCULLNHSA-N -1 0 527.404 5.268 1 0 KKAFRM O=C([O-])c1sc2cc(N3C(=S)N=NC3c3ccc(Br)c(Cl)c3)ccc2c1Cl ZINC000096273167 562794404 /nfs/dbraw/zinc/79/44/04/562794404.db2.gz FDALUGOJNPJEQL-UHFFFAOYSA-N -1 0 501.214 6.205 1 0 KKAFRM C=Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283228 562794822 /nfs/dbraw/zinc/79/48/22/562794822.db2.gz RDEWVVNVZDTDJG-UHFFFAOYSA-N -1 0 523.593 5.248 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283768 562794963 /nfs/dbraw/zinc/79/49/63/562794963.db2.gz NTMPGUAYNNAYJT-QHCPKHFHSA-N -1 0 567.951 6.410 1 0 KKAFRM Cc1cccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000096283763 562794973 /nfs/dbraw/zinc/79/49/73/562794973.db2.gz IXXFFDFADBJDMH-XMMPIXPASA-N -1 0 513.981 5.699 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cccc(Cl)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283764 562794976 /nfs/dbraw/zinc/79/49/76/562794976.db2.gz HXYWYEIVQXYQMP-QHCPKHFHSA-N -1 0 534.399 6.044 1 0 KKAFRM CC(C)(C)OC(=O)N(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000096284647 562795230 /nfs/dbraw/zinc/79/52/30/562795230.db2.gz JIIKUDCJQQASHH-UHFFFAOYSA-N -1 0 712.690 6.993 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccc(C)c2)cc1 ZINC000096284691 562795282 /nfs/dbraw/zinc/79/52/82/562795282.db2.gz DOXROKWYKRQTAY-UHFFFAOYSA-N -1 0 640.802 7.179 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)[O-])cn3)c3nnc(C(C)C)n3-c3ccc(Cl)cc32)c1OC ZINC000096285787 562795927 /nfs/dbraw/zinc/79/59/27/562795927.db2.gz WHCKOFISANLQMD-DHIUTWEWSA-N -1 0 538.004 5.207 1 0 KKAFRM CC(C)=CCC[C@]1(C(=O)[O-])C[C@@]12[C@@H](OC(C)=O)C[C@@]1(C)[C@@H]2C[C@@H](O)[C@H]2[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]21C ZINC000096898935 562796738 /nfs/dbraw/zinc/79/67/38/562796738.db2.gz JLYJGBJQXWQKEA-PAVXYTHOSA-N -1 0 530.746 5.746 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cc7ccccc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096900329 562796777 /nfs/dbraw/zinc/79/67/77/562796777.db2.gz RKUOZQPYOYQPON-JKSHRDJASA-N -1 0 539.804 9.135 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(Cl)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096902173 562797271 /nfs/dbraw/zinc/79/72/71/562797271.db2.gz GQPAUCRVASOYIO-FDWPCWODSA-N -1 0 562.238 9.721 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c6cc(Cl)ccc6[nH]c5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096903157 562797855 /nfs/dbraw/zinc/79/78/55/562797855.db2.gz POCQPEBCOGFBIJ-ADDSILEVSA-N -1 0 661.371 9.862 1 0 KKAFRM CS(=O)(=O)Nc1ccccc1CC[C@@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000096903960 562798063 /nfs/dbraw/zinc/79/80/63/562798063.db2.gz WASJKTLOOXVDAR-MUUNZHRXSA-N -1 0 585.147 6.721 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ccccc2C)cc1 ZINC000096909572 562799593 /nfs/dbraw/zinc/79/95/93/562799593.db2.gz OJMLBCJMWGXJOP-GDLZYMKVSA-N -1 0 521.657 6.867 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000096909575 562799599 /nfs/dbraw/zinc/79/95/99/562799599.db2.gz RSJJIKXMNJSHBD-MUUNZHRXSA-N -1 0 525.620 6.698 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2ncccn2)cc1 ZINC000096909580 562799610 /nfs/dbraw/zinc/79/96/10/562799610.db2.gz DEAVJKJURZRSJV-AREMUKBSSA-N -1 0 509.606 5.348 1 0 in-vitro KKAFRM COc1cccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(-c5cccc(C(=O)[O-])c5)c(O)c43)cc2)c1O ZINC000096913632 562800289 /nfs/dbraw/zinc/80/02/89/562800289.db2.gz LOJXJNGGOBHABS-UHFFFAOYSA-N -1 0 502.910 5.424 1 0 KKAFRM CC(=O)n1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000096921724 562801540 /nfs/dbraw/zinc/80/15/40/562801540.db2.gz FSFFGNVXROLSPZ-UHFFFAOYSA-N -1 0 546.556 5.040 1 0 KKAFRM C[C@H](C=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000096929770 562803140 /nfs/dbraw/zinc/80/31/40/562803140.db2.gz PXVVZXBSCZHSDW-DYNCNFGKSA-N -1 0 650.817 8.272 1 0 KKAFRM CCCc1nc2c(cc(NC(=O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000096935318 562804062 /nfs/dbraw/zinc/80/40/62/562804062.db2.gz GJJWDDROTHWGIF-UHFFFAOYSA-N -1 0 503.602 6.963 1 0 KKAFRM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000096937785 562804334 /nfs/dbraw/zinc/80/43/34/562804334.db2.gz YMJFGFSESCIZHS-CBCFXIOASA-N -1 0 638.806 7.818 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@@H](Cc3ccc4c(c3)OCO4)C(=O)[O-])CC[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 ZINC000098083530 562805441 /nfs/dbraw/zinc/80/54/41/562805441.db2.gz LBZICMOLAINVTD-KZEYUROPSA-N -1 0 661.924 8.080 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000098085304 562805788 /nfs/dbraw/zinc/80/57/88/562805788.db2.gz QDSLDBHRHAHSHX-NDEPHWFRSA-N -1 0 533.690 7.601 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208264 562805982 /nfs/dbraw/zinc/80/59/82/562805982.db2.gz AXQMSOFCQLTJGV-ZJTSJXPUSA-N -1 0 568.563 6.524 1 0 in-vitro KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@](C)(Cc2ccc(C(=O)[O-])cn2)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208283 562806021 /nfs/dbraw/zinc/80/60/21/562806021.db2.gz OTQRFDJHHZHHNT-LNHQPZRBSA-N -1 0 659.632 6.721 1 0 in-vitro KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(CC(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000098208282 562806032 /nfs/dbraw/zinc/80/60/32/562806032.db2.gz HNLHOKSDTBAERS-CWIPYCOQSA-N -1 0 695.706 7.514 1 0 in-vitro KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccccn3)c2)C(=O)O1 ZINC000100032251 562806193 /nfs/dbraw/zinc/80/61/93/562806193.db2.gz XBRRPGJDAAOTLK-GIGWZHCTSA-N -1 0 536.650 5.848 1 0 KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@@H](CC)c2cccc([N-]S(=O)(=O)c3ccccn3)c2)C(=O)O1 ZINC000100032249 562806196 /nfs/dbraw/zinc/80/61/96/562806196.db2.gz XBRRPGJDAAOTLK-PWUYWRBVSA-N -1 0 536.650 5.848 1 0 KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(N)cn3)c2)C(=O)O1 ZINC000100032091 562806208 /nfs/dbraw/zinc/80/62/08/562806208.db2.gz XSDWBXWFQFLGKW-PWUYWRBVSA-N -1 0 551.665 5.430 1 0 KKAFRM O=c1cc(C(CC2CC2)CC2CC2)oc([O-])c1[C@H](c1cccc(CS(=O)(=O)c2ccccn2)c1)C1CC1 ZINC000100044969 562806377 /nfs/dbraw/zinc/80/63/77/562806377.db2.gz UVPFSGQRUDOKFF-NDEPHWFRSA-N -1 0 519.663 5.940 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1)C(=O)[O-] ZINC000103250216 562820232 /nfs/dbraw/zinc/82/02/32/562820232.db2.gz STHHWRMRUPLWFM-MRXNPFEDSA-N -1 0 555.951 7.584 1 0 KKAFRM CCCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c3ccccc3c(=O)n(C)c2-c2nnn[n-]2)cc1 ZINC000101060605 562808967 /nfs/dbraw/zinc/80/89/67/562808967.db2.gz LWBSJIKSQSETPN-UHFFFAOYSA-N -1 0 518.625 5.138 1 0 KKAFRM CC(=O)NCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c([O-])c2ccccc2n(C)c1=O ZINC000101091439 562809185 /nfs/dbraw/zinc/80/91/85/562809185.db2.gz MWIXZCARDKYENS-RUZDIDTESA-N -1 0 544.449 5.347 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)C=Cc3ccccc3)c1)C1CC1)CCCCCC2 ZINC000101177272 562809664 /nfs/dbraw/zinc/80/96/64/562809664.db2.gz BWIMNVKVJXKONH-QHLVILHISA-N -1 0 505.636 5.959 1 0 KKAFRM Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c2cccc(Br)c2)c([O-])c2ccccc21 ZINC000101425603 562810666 /nfs/dbraw/zinc/81/06/66/562810666.db2.gz JOUBULJINPWKBS-WJOKGBTCSA-N -1 0 621.531 6.997 1 0 KKAFRM Cc1c([C@@H](c2ccc(Cl)cc2Cl)c2c([O-])c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C ZINC000101498414 562811052 /nfs/dbraw/zinc/81/10/52/562811052.db2.gz NHBXRQRKMMKNMD-HSZRJFAPSA-N -1 0 507.373 5.783 1 0 KKAFRM Cc1cc(S(=O)(=O)Nc2nc3cc(C(C)(C)C)sc3c(=O)n2Cc2ccccc2)c([S-])cc1Cl ZINC000101574131 562811303 /nfs/dbraw/zinc/81/13/03/562811303.db2.gz ACCBVUFBGZWJHK-UHFFFAOYSA-N -1 0 534.128 5.855 1 0 KKAFRM CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCC(=O)OC[C@@H](O)[C@@H]1OC(=O)C(O)=C1[O-] ZINC000101718005 562812027 /nfs/dbraw/zinc/81/20/27/562812027.db2.gz YFOBFUQOJMURSO-OSZSAUOYSA-N -1 0 551.721 5.634 1 0 KKAFRM COc1cc(-c2cc(SC)nc([N-]c3nc(NC(C)(C)C)nc(NC(C)(C)C)n3)n2)cc(OC)c1OC ZINC000101839513 562812268 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O=C([O-])Cc1c(-c2ccccc2)nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c1-c1ccccc1 ZINC000168903629 562851560 /nfs/dbraw/zinc/85/15/60/562851560.db2.gz APDZRCXXAMEQSO-UHFFFAOYSA-N -1 0 537.619 7.298 1 0 KKAFRM CCc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cc2)c(CC)c1CC(=O)[O-] ZINC000168940419 562851609 /nfs/dbraw/zinc/85/16/09/562851609.db2.gz JQENCRACPCBQGX-UHFFFAOYSA-N -1 0 507.940 5.286 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)OC[C@H](O)[C@H]4OC(=O)C(O)=C4[O-])CC[C@]23C)C1(C)C ZINC000169293434 562852096 /nfs/dbraw/zinc/85/20/96/562852096.db2.gz IWBUKSHBKFWVLE-JOTLYORFSA-N -1 0 656.857 6.733 1 0 KKAFRM O=c1oc2ccccc2c([O-])c1[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000169301579 562852939 /nfs/dbraw/zinc/85/29/39/562852939.db2.gz QUNMLCCVZLKSGL-REUBFRLUSA-N -1 0 527.414 6.742 1 0 KKAFRM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccc4c3cccc4-c3ccc(C(F)(F)F)cc3)c2)s1 ZINC000169307543 562853851 /nfs/dbraw/zinc/85/38/51/562853851.db2.gz KXUQBAVGZKLDRT-UHFFFAOYSA-N -1 0 570.618 6.840 1 0 KKAFRM COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308592 562854128 /nfs/dbraw/zinc/85/41/28/562854128.db2.gz JDPZIHQYSDDHJX-PMERELPUSA-N -1 0 753.754 5.585 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4nnnn4C4CCCCC4)c4ccc(C(C)C)cc4)CC3)cc21 ZINC000169308575 562854140 /nfs/dbraw/zinc/85/41/40/562854140.db2.gz DIGRSGYHLQNWTG-PMERELPUSA-N -1 0 601.727 5.385 1 0 KKAFRM CC(C)(C)n1nnnc1[C@H](c1ccco1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308604 562854154 /nfs/dbraw/zinc/85/41/54/562854154.db2.gz DMCKYPGHYCPKAY-MHZLTWQESA-N -1 0 653.637 5.152 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169309638 562854392 /nfs/dbraw/zinc/85/43/92/562854392.db2.gz FZOPKODHJVPVBM-FRCGYQLOSA-N -1 0 675.650 7.524 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2nc(C(=O)[O-])cs2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309654 562854457 /nfs/dbraw/zinc/85/44/57/562854457.db2.gz JKNAPKZDFAXRMN-JTQASVMASA-N -1 0 663.689 7.446 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C3(C(=O)[O-])CC3)s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169310013 562854580 /nfs/dbraw/zinc/85/45/80/562854580.db2.gz HHQVGGDYUPWBRZ-ZVFFISPPSA-N -1 0 703.754 7.864 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2nc(CC(=O)[O-])n[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169310018 562854581 /nfs/dbraw/zinc/85/45/81/562854581.db2.gz SWESMVFNRHMZQJ-KKRKAPGZSA-N -1 0 661.652 6.037 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169310598 562854867 /nfs/dbraw/zinc/85/48/67/562854867.db2.gz UARURYJDNJXKCJ-FVXHTOHKSA-N -1 0 587.639 6.115 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2ncccc2C(F)(F)F)=NC12CCC(C(C)(C)C)CC2 ZINC000169312977 562855541 /nfs/dbraw/zinc/85/55/41/562855541.db2.gz WLPYVUOHZRLBBD-RCXZAMPPSA-N -1 0 652.766 6.675 1 0 KKAFRM CCCCCCc1cc2c([O-])c([C@@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)c(CCCCCC)cc4[C@@H]3O)c(=O)oc2cc1O ZINC000169317007 562855886 /nfs/dbraw/zinc/85/58/86/562855886.db2.gz FJVQTSLWKQYTDJ-MVIDNBQJSA-N -1 0 614.735 7.556 1 0 KKAFRM O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1[O-] ZINC000169328453 562858382 /nfs/dbraw/zinc/85/83/82/562858382.db2.gz XZTONAZXDPRIPR-UHFFFAOYSA-N -1 0 575.571 6.174 1 0 KKAFRM [NH3+][C@@H](Cc1cc(Br)c(Oc2cc(Br)c([O-])c(Br)c2)c(Br)c1)C(=O)[O-] ZINC000169337933 562860169 /nfs/dbraw/zinc/86/01/69/562860169.db2.gz MMYXUHIKRVTMFN-LBPRGKRZSA-N -1 0 588.872 5.189 1 0 KKAFRM O=S(=O)([N-]c1nc(-c2ccccc2C(F)(F)F)nc2ccccc21)c1ccc(-c2ccnc(C(F)(F)F)c2)cc1 ZINC000169340095 562860557 /nfs/dbraw/zinc/86/05/57/562860557.db2.gz DTDJTRADYWEVKQ-UHFFFAOYSA-N -1 0 574.506 7.197 1 0 KKAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343866 562861289 /nfs/dbraw/zinc/86/12/89/562861289.db2.gz PDUADWDQQOEDHO-UHFFFAOYSA-N -1 0 660.881 6.372 1 0 KKAFRM COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)[O-])C4CC4)ccn3)cc2[C@H](OC)C(C)(C)C)c(F)cn1 ZINC000169346887 562861871 /nfs/dbraw/zinc/86/18/71/562861871.db2.gz RZTLKFPSCIVFLI-ZTOMLWHTSA-N -1 0 522.617 6.572 1 0 KKAFRM Cc1c(O)ccc2c(OS(=O)(=O)c3ccc4ccccc4c3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349084 562862411 /nfs/dbraw/zinc/86/24/11/562862411.db2.gz FDNIEVKZXIEBIG-UHFFFAOYSA-N -1 0 585.634 6.084 1 0 KKAFRM Cc1ccc(S(=O)(=O)Oc2c3cc(Br)c([O-])c(C)c3oc(=O)c2NC(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000169349096 562862459 /nfs/dbraw/zinc/86/24/59/562862459.db2.gz YFDUHVZEKBQEHL-UHFFFAOYSA-N -1 0 628.497 6.002 1 0 KKAFRM CCc1c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)nn(-c2ccnc3cc(Cl)ccc32)c1-c1c(OC)cccc1OC ZINC000169352856 562863270 /nfs/dbraw/zinc/86/32/70/562863270.db2.gz WZQNVNSPKOSEAU-MHZLTWQESA-N -1 0 577.081 6.084 1 0 KKAFRM Cc1cc(O[C@@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C2CC(C)(C)C2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000169694317 562865273 /nfs/dbraw/zinc/86/52/73/562865273.db2.gz FAWURTSYOBLHRC-SANMLTNESA-N -1 0 543.586 6.269 1 0 KKAFRM CCCn1cc(CC(=O)[O-])c2cc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)ccc21 ZINC000198508015 562872749 /nfs/dbraw/zinc/87/27/49/562872749.db2.gz YLYIMMAFBVEATF-UHFFFAOYSA-N -1 0 508.014 6.759 1 0 KKAFRM O=C([O-])Cc1c[nH]c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4Cl)c3)cc12 ZINC000198508077 562872773 /nfs/dbraw/zinc/87/27/73/562872773.db2.gz NCBNZMVSLKRUJI-UHFFFAOYSA-N -1 0 500.378 6.529 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000198554877 562872777 /nfs/dbraw/zinc/87/27/77/562872777.db2.gz ADUYAJIFZKXWCR-WJOKGBTCSA-N -1 0 516.641 7.553 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000198554703 562872785 /nfs/dbraw/zinc/87/27/85/562872785.db2.gz UEFHAPYDMRIRPQ-WJOKGBTCSA-N -1 0 516.641 7.553 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000198554680 562872786 /nfs/dbraw/zinc/87/27/86/562872786.db2.gz UEFHAPYDMRIRPQ-HKBQPEDESA-N -1 0 516.641 7.553 1 0 KKAFRM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000199335806 562872920 /nfs/dbraw/zinc/87/29/20/562872920.db2.gz XQSKXQCRYOENGC-NRFANRHFSA-N -1 0 550.630 7.310 1 0 KKAFRM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000199336045 562872927 /nfs/dbraw/zinc/87/29/27/562872927.db2.gz XQSKXQCRYOENGC-OAQYLSRUSA-N -1 0 550.630 7.310 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3Cl)cc12 ZINC000199475823 562872945 /nfs/dbraw/zinc/87/29/45/562872945.db2.gz LZOGSUAKBUOZLL-FQEVSTJZSA-N -1 0 605.056 8.835 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3F)cc12 ZINC000199476004 562872979 /nfs/dbraw/zinc/87/29/79/562872979.db2.gz QKTSBTIDGCRCRA-FQEVSTJZSA-N -1 0 588.601 8.321 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](c3cccc(C(C)C)c3)C3CC3)cc12 ZINC000199676214 562873053 /nfs/dbraw/zinc/87/30/53/562873053.db2.gz QWBMMUAFOHSGAA-BHVANESWSA-N -1 0 570.733 8.676 1 0 KKAFRM O=C([O-])c1sc(-c2ccc(Cl)c(Cl)c2)cc1NC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000201709331 562873579 /nfs/dbraw/zinc/87/35/79/562873579.db2.gz ASEGFHJTKLPSGA-UHFFFAOYSA-N -1 0 511.430 7.654 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]c1=O ZINC000202311052 562873628 /nfs/dbraw/zinc/87/36/28/562873628.db2.gz MCQPOVKFZUSIKA-GDLZYMKVSA-N -1 0 553.014 5.853 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(OCc3ccsc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202318039 562873656 /nfs/dbraw/zinc/87/36/56/562873656.db2.gz YZBHAGQOPQAVNB-GDLZYMKVSA-N -1 0 518.034 5.928 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(NCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202318833 562873703 /nfs/dbraw/zinc/87/37/03/562873703.db2.gz KIERIOVQFXMROZ-AREMUKBSSA-N -1 0 525.008 5.693 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(C(F)(F)C2CC2)c(F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203669284 562874050 /nfs/dbraw/zinc/87/40/50/562874050.db2.gz WBOQRYAJUUACNW-UHFFFAOYSA-N -1 0 540.563 6.278 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(Cl)cn(C)c2c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203768458 562874094 /nfs/dbraw/zinc/87/40/94/562874094.db2.gz DNDGNOVARUIRDU-UHFFFAOYSA-N -1 0 520.010 5.782 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(c2ncc3ccccc3c2C2CC2)[C@H]2CCc3cc(OC(F)(F)F)ccc32)cc1 ZINC000203766946 562874106 /nfs/dbraw/zinc/87/41/06/562874106.db2.gz RLONLJJPXIVWOF-VWLOTQADSA-N -1 0 568.573 6.592 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(CN2CCOCC2)cc1)C1CC1 ZINC000203987709 562874246 /nfs/dbraw/zinc/87/42/46/562874246.db2.gz FVTRBSAXCYPYRL-UHFFFAOYSA-N -1 0 548.470 7.083 1 0 KKAFRM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(Cn5ccnc5)cc4)c3c2)cc(Cl)c1O ZINC000203988768 562874282 /nfs/dbraw/zinc/87/42/82/562874282.db2.gz HFIRJBLPXDARCG-UHFFFAOYSA-N -1 0 525.008 6.851 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000204674992 562874550 /nfs/dbraw/zinc/87/45/50/562874550.db2.gz UHTMZPBAWRONNS-LJAQVGFWSA-N -1 0 525.004 6.493 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000204946047 562874621 /nfs/dbraw/zinc/87/46/21/562874621.db2.gz NAYOHIXUMXMHKW-UHFFFAOYSA-N -1 0 573.501 8.122 1 0 KKAFRM C[C@@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)c1csc2ccccc21 ZINC000205002585 562874686 /nfs/dbraw/zinc/87/46/86/562874686.db2.gz VBVKYPBOJUVVQY-VWLOTQADSA-N -1 0 518.557 5.418 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)N[C@H]2CCOC2)cc1 ZINC000205053435 562874897 /nfs/dbraw/zinc/87/48/97/562874897.db2.gz SGRWUSIHMIWBGQ-IBGZPJMESA-N -1 0 539.440 6.668 1 0 KKAFRM Cn1cc(-c2cc(-c3ccncc3)cc(C(F)(F)F)c2)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205424368 562875344 /nfs/dbraw/zinc/87/53/44/562875344.db2.gz WKEINIMTMDYMQA-UHFFFAOYSA-N -1 0 515.542 5.578 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3nccnc3c2)cc1F ZINC000205514405 562875485 /nfs/dbraw/zinc/87/54/85/562875485.db2.gz OXIKMOBJZKGNHO-UHFFFAOYSA-N -1 0 531.953 5.673 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3[nH]cnc3c2)cc1F ZINC000205524880 562875530 /nfs/dbraw/zinc/87/55/30/562875530.db2.gz DBAHAVPSLKLLAA-UHFFFAOYSA-N -1 0 519.942 5.606 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)[O-])c2ccc(C(F)(F)F)nc21)C(=O)C1CC1 ZINC000205691550 562875683 /nfs/dbraw/zinc/87/56/83/562875683.db2.gz MIRQOMFIRGHWGL-UHFFFAOYSA-N -1 0 513.438 5.449 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)[O-])c2ccc(C)nc21)C(=O)Cc1ccccc1 ZINC000205699455 562875684 /nfs/dbraw/zinc/87/56/84/562875684.db2.gz MRPKRCZFAGKADW-UHFFFAOYSA-N -1 0 509.528 5.571 1 0 KKAFRM COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(-c3c(C)c(CC(=O)[O-])cc4ccc(Cl)cc43)cc2)cc1 ZINC000205726659 562875849 /nfs/dbraw/zinc/87/58/49/562875849.db2.gz LFOFIUHAIJLWJO-UHFFFAOYSA-N -1 0 552.092 6.704 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000205738656 562875875 /nfs/dbraw/zinc/87/58/75/562875875.db2.gz NGZAHMCRAFHCTA-UHFFFAOYSA-N -1 0 503.378 6.721 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(S(C)(=O)=O)cc3)cc12 ZINC000205972420 562876002 /nfs/dbraw/zinc/87/60/02/562876002.db2.gz XDMKOYKMCBBADL-UHFFFAOYSA-N -1 0 566.679 6.005 1 0 KKAFRM COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c1 ZINC000205972554 562876022 /nfs/dbraw/zinc/87/60/22/562876022.db2.gz CDLJJRCMFYXSIQ-QFIPXVFZSA-N -1 0 532.640 7.171 1 0 KKAFRM COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000205964656 562876024 /nfs/dbraw/zinc/87/60/24/562876024.db2.gz QNANVKGUWWFSIH-QFIPXVFZSA-N -1 0 532.640 7.171 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)[C@@H]3COc4ccccc4O3)cc12 ZINC000205977651 562876026 /nfs/dbraw/zinc/87/60/26/562876026.db2.gz GUSPKESWPXTEMH-NBLPZQPVSA-N -1 0 560.650 6.630 1 0 KKAFRM CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000205976485 562876044 /nfs/dbraw/zinc/87/60/44/562876044.db2.gz LTVKSFXRQPYAAJ-QHCPKHFHSA-N -1 0 546.667 7.561 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)[C@H]3COc4ccccc4O3)cc12 ZINC000205977665 562876046 /nfs/dbraw/zinc/87/60/46/562876046.db2.gz GUSPKESWPXTEMH-DHYKOVJISA-N -1 0 560.650 6.630 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000205994880 562876121 /nfs/dbraw/zinc/87/61/21/562876121.db2.gz ROQFGMFKGGEJAT-GMAHTHKFSA-N -1 0 526.677 6.947 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cn3)cc12 ZINC000205992313 562876126 /nfs/dbraw/zinc/87/61/26/562876126.db2.gz UDRDLKOPYAODHR-FQEVSTJZSA-N -1 0 582.498 7.320 1 0 KKAFRM COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000206004337 562876136 /nfs/dbraw/zinc/87/61/36/562876136.db2.gz JKEOQQHYKJOZQG-UHFFFAOYSA-N -1 0 546.623 6.388 1 0 KKAFRM Cc1c(C)n([C@H](C)c2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206010860 562876152 /nfs/dbraw/zinc/87/61/52/562876152.db2.gz MLFXYZDRAAETQC-QTJGBDASSA-N -1 0 540.704 7.508 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206002844 562876153 /nfs/dbraw/zinc/87/61/53/562876153.db2.gz ANVYTPGEGUKCJH-UNMCSNQZSA-N -1 0 510.634 6.527 1 0 KKAFRM Cc1c(C)n(Cc2cc(Cl)cc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206017399 562876183 /nfs/dbraw/zinc/87/61/83/562876183.db2.gz IZIFPJHHGBTWDQ-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000210530499 562877022 /nfs/dbraw/zinc/87/70/22/562877022.db2.gz WFQFQAQNCYHBTC-DGPALRBDSA-N -1 0 578.690 5.582 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc2c(ccnc2N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000215506037 562877353 /nfs/dbraw/zinc/87/73/53/562877353.db2.gz BWTPPWJWWJDPDM-UHFFFAOYSA-N -1 0 520.467 5.126 1 0 KKAFRM COc1cc(Oc2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000215519046 562877395 /nfs/dbraw/zinc/87/73/95/562877395.db2.gz ZRPIOLZRWCXYLY-UHFFFAOYSA-N -1 0 502.527 5.433 1 0 KKAFRM Cc1noc(C)c1-c1cccc(Cn2c(CC3(C(=O)[O-])CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1 ZINC000217363683 562877546 /nfs/dbraw/zinc/87/75/46/562877546.db2.gz VSWQQBBJYSVJBW-UHFFFAOYSA-N -1 0 586.692 7.671 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)cc4F)c3c2)nc1 ZINC000218129757 562877826 /nfs/dbraw/zinc/87/78/26/562877826.db2.gz JQHLTAIOKGJPKW-DHIUTWEWSA-N -1 0 552.444 6.627 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)cc4F)c3c2)nc1 ZINC000218151395 562877851 /nfs/dbraw/zinc/87/78/51/562877851.db2.gz JQHLTAIOKGJPKW-XZOQPEGZSA-N -1 0 552.444 6.627 1 0 KKAFRM Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4F)c3c2)c(F)c1 ZINC000218176534 562877864 /nfs/dbraw/zinc/87/78/64/562877864.db2.gz UIMUUDATBBNBDM-UHFFFAOYSA-N -1 0 609.595 7.984 1 0 KKAFRM Cc1ccc(COc2cc3c(nc(CC(C)(C)C(=O)[O-])n3Cc3ccc(Br)cc3)c(F)c2)nc1 ZINC000218279805 562877873 /nfs/dbraw/zinc/87/78/73/562877873.db2.gz MGUZYUMKLCSLAP-UHFFFAOYSA-N -1 0 526.406 5.922 1 0 KKAFRM CS(=O)(=O)c1ccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1 ZINC000219261356 562877990 /nfs/dbraw/zinc/87/79/90/562877990.db2.gz MTXFWPSEGCYSEJ-UHFFFAOYSA-N -1 0 645.781 7.470 1 0 KKAFRM CC(=O)c1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])c1 ZINC000219598083 562878282 /nfs/dbraw/zinc/87/82/82/562878282.db2.gz ALYWSCYOOKBUAR-UHFFFAOYSA-N -1 0 502.806 8.005 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000219332858 562878064 /nfs/dbraw/zinc/87/80/64/562878064.db2.gz OUKYLVYPEALBQH-UHFFFAOYSA-N -1 0 599.691 6.865 1 0 KKAFRM CC[C@@H](c1ccc(Br)cc1)n1c(CC(C)(C)C(=O)[O-])nc2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000219414227 562878157 /nfs/dbraw/zinc/87/81/57/562878157.db2.gz XVJJNGAWTLNPEP-MHZLTWQESA-N -1 0 572.503 7.579 1 0 KKAFRM CCC(CC)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ncccn2)cc1)C(=O)[O-] ZINC000219398160 562878166 /nfs/dbraw/zinc/87/81/66/562878166.db2.gz RCQZBLBAGUFMMC-UHFFFAOYSA-N -1 0 577.710 7.164 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1Br)C(=O)[O-] ZINC000219430980 562878211 /nfs/dbraw/zinc/87/82/11/562878211.db2.gz CTKFJQUTIYCJCC-UHFFFAOYSA-N -1 0 544.449 6.628 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000219463921 562878227 /nfs/dbraw/zinc/87/82/27/562878227.db2.gz VIQRPXOQCLKTSV-UHFFFAOYSA-N -1 0 551.540 7.023 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)cn1 ZINC000219507184 562878255 /nfs/dbraw/zinc/87/82/55/562878255.db2.gz MKPXNKQGVDAIBB-JSOSNVBQSA-N -1 0 585.664 6.502 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)cc3)c2)CCCC1 ZINC000219522774 562878259 /nfs/dbraw/zinc/87/82/59/562878259.db2.gz QRQMMIFAHQMZPU-UHFFFAOYSA-N -1 0 585.679 8.205 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000219598703 562878275 /nfs/dbraw/zinc/87/82/75/562878275.db2.gz YBDBKJYSRUZYMA-UHFFFAOYSA-N -1 0 562.318 9.187 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(-c3ccsc3)c2)c1 ZINC000220907418 562878701 /nfs/dbraw/zinc/87/87/01/562878701.db2.gz GNFIPHCOJWSBRQ-UHFFFAOYSA-N -1 0 637.455 6.159 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1 ZINC000221567829 562879038 /nfs/dbraw/zinc/87/90/38/562879038.db2.gz VFVJDKGSEZYQQO-VXKWHMMOSA-N -1 0 528.531 5.654 1 0 KKAFRM CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)[O-])cc3)nn2-c2ccc(C(=O)N3CCOCC3)cc2)cc(C(C)(C)C)c1 ZINC000221660804 562879117 /nfs/dbraw/zinc/87/91/17/562879117.db2.gz ZMMNTCYSNDWLJU-UHFFFAOYSA-N -1 0 565.714 6.972 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccccc2F)cc(C)c1Cl ZINC000222705510 562879900 /nfs/dbraw/zinc/87/99/00/562879900.db2.gz JZKGOXRJWHSWCJ-UHFFFAOYSA-N -1 0 586.085 5.078 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(C)(C)C(=O)[O-])c3)c2)CC1 ZINC000224433644 562880428 /nfs/dbraw/zinc/88/04/28/562880428.db2.gz ZFHCHLJDEOWYNZ-UHFFFAOYSA-N -1 0 564.654 7.177 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)[O-])cc3)cc(Oc3ccc(F)cc3F)c2)CC1 ZINC000224427552 562880438 /nfs/dbraw/zinc/88/04/38/562880438.db2.gz AAAQLZOAUALGQJ-UHFFFAOYSA-N -1 0 540.563 6.653 1 0 KKAFRM O=C(c1cnc2c(S(=O)(=O)[N-]c3cccnn3)cnn2c1Nc1cc(Cl)ccc1Cl)N1CCC(c2ccc(F)cc2)CC1 ZINC000224672939 562880474 /nfs/dbraw/zinc/88/04/74/562880474.db2.gz DGCXWUIRALDAQR-UHFFFAOYSA-N -1 0 641.516 5.529 1 0 KKAFRM COc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1nccc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000225113463 562880727 /nfs/dbraw/zinc/88/07/27/562880727.db2.gz NKGHZLKJWHZFKH-UHFFFAOYSA-N -1 0 542.564 6.249 1 0 KKAFRM COc1cc(F)cc(-c2ccc(-c3nccc4cc(S(=O)(=O)[N-]c5ccncn5)ccc43)c(OC)c2)c1 ZINC000225153103 562880774 /nfs/dbraw/zinc/88/07/74/562880774.db2.gz HPNVKQIRXOEUDW-UHFFFAOYSA-N -1 0 516.554 5.316 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(Br)cc3)c(F)c2)nc1 ZINC000226016731 562880818 /nfs/dbraw/zinc/88/08/18/562880818.db2.gz LALHBDKNRRNISP-GOTSBHOMSA-N -1 0 552.444 6.627 1 0 KKAFRM Cc1cc(OC(F)(F)F)ccc1Cn1c2cc(OCc3ccn(C)n3)ccc2nc1[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000226014495 562880822 /nfs/dbraw/zinc/88/08/22/562880822.db2.gz HEAJMYYPAWVRAI-PKTZIBPZSA-N -1 0 542.558 5.963 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@H]4[C@H](C(=O)[O-])C4(C)C)n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1 ZINC000226028866 562880877 /nfs/dbraw/zinc/88/08/77/562880877.db2.gz GUUOZSKHKUQYBQ-DHIUTWEWSA-N -1 0 543.517 6.229 1 0 KKAFRM CCC(CC)(Cc1nc2c(cc(OCc3ccc(C)cn3)cc2F)n1Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000226044305 562880911 /nfs/dbraw/zinc/88/09/11/562880911.db2.gz AVTUUFSDMZANDJ-UHFFFAOYSA-N -1 0 559.560 6.838 1 0 KKAFRM Cn1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)n1 ZINC000226100969 562880926 /nfs/dbraw/zinc/88/09/26/562880926.db2.gz RKTYTKSEUSPJAZ-UHFFFAOYSA-N -1 0 545.643 6.266 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000226100825 562880929 /nfs/dbraw/zinc/88/09/29/562880929.db2.gz WJVYPZBSFSMOIL-IZZNHLLZSA-N -1 0 604.932 7.986 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2F)[C@@H]1C(=O)[O-] ZINC000226107623 562880962 /nfs/dbraw/zinc/88/09/62/562880962.db2.gz RSLCNTCITDEABE-RRPNLBNLSA-N -1 0 574.450 6.938 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1)C(=O)[O-] ZINC000226110030 562880993 /nfs/dbraw/zinc/88/09/93/562880993.db2.gz HZGHMAASTTVPBT-UHFFFAOYSA-N -1 0 584.676 6.631 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2cncs2)c1)C(=O)[O-] ZINC000226109639 562881014 /nfs/dbraw/zinc/88/10/14/562881014.db2.gz YNTWWFKPEMVZLD-UHFFFAOYSA-N -1 0 548.668 6.989 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1)C(=O)[O-] ZINC000226123268 562881029 /nfs/dbraw/zinc/88/10/29/562881029.db2.gz KQMKICGSFJELOJ-UHFFFAOYSA-N -1 0 634.758 6.904 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)cc3)c2)[C@@H]1C(=O)[O-] ZINC000226136127 562881032 /nfs/dbraw/zinc/88/10/32/562881032.db2.gz BEXOMTTVBUZREH-JHOUSYSJSA-N -1 0 571.652 7.842 1 0 KKAFRM O=C(Cc1cc(Cl)c(NC(=O)c2nsc3ccccc32)cc1F)N1C[C@@H](F)C[C@H]1CO[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253677445 562882785 /nfs/dbraw/zinc/88/27/85/562882785.db2.gz ITHNGRATRHTRJN-WNHJNPCNSA-N -1 0 592.064 5.483 1 0 KKAFRM Cc1cc(F)ccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@H]3CC[C@H](C(=O)[O-])CC3)c(F)c2o1 ZINC000253684903 562882848 /nfs/dbraw/zinc/88/28/48/562882848.db2.gz SJVXVMPPDIOWAX-FIRPJDEBSA-N -1 0 545.558 5.300 1 0 KKAFRM CCC(=O)O[C@@H](C)O[P@](=O)(O[C@@H](C)OC(=O)CC)[C@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000253685021 562882870 /nfs/dbraw/zinc/88/28/70/562882870.db2.gz CTIZUTFJLUQZCE-GFLPCHDHSA-N -1 0 586.596 5.840 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CC2)ccc1/C=C/C(=O)[O-] ZINC000299823548 562882923 /nfs/dbraw/zinc/88/29/23/562882923.db2.gz QMDXPIFTPVPYRV-JLHYYAGUSA-N -1 0 628.129 6.344 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CCCC6)sc5c(c([O-])c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299823671 562883000 /nfs/dbraw/zinc/88/30/00/562883000.db2.gz VDCWBKSADLPPOZ-NAEOBDIRSA-N -1 0 807.963 6.258 1 0 KKAFRM Cc1noc(C2CC2)c1Cc1cc(Cl)ccc1-n1cc(CC(=O)[O-])c2ccc(Cc3ccccc3)nc21 ZINC000299827860 562884252 /nfs/dbraw/zinc/88/42/52/562884252.db2.gz PYWCNWSIWXMPPB-UHFFFAOYSA-N -1 0 512.009 6.661 1 0 KKAFRM COc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000299828562 562884540 /nfs/dbraw/zinc/88/45/40/562884540.db2.gz RQZIQKBAAWBJCY-AREMUKBSSA-N -1 0 546.674 5.931 1 0 KKAFRM CC(C)c1ccc(NC(=O)CCC(=O)Nc2cccc(-c3c(I)c4cc(C(=O)[O-])c(O)cc4n3C)c2)cc1 ZINC000299829245 562884786 /nfs/dbraw/zinc/88/47/86/562884786.db2.gz RCBWRNUXEUMNRX-UHFFFAOYSA-N -1 0 625.463 6.335 1 0 KKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(NC(=O)CCCCCCC(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299829395 562884870 /nfs/dbraw/zinc/88/48/70/562884870.db2.gz KALPHGCVQLRJMG-BUALWXDDSA-N -1 0 583.898 8.299 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000299830921 562885405 /nfs/dbraw/zinc/88/54/05/562885405.db2.gz ZNDZBTZKCRWRAY-UHFFFAOYSA-N -1 0 723.951 7.444 1 0 KKAFRM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000299831432 562885579 /nfs/dbraw/zinc/88/55/79/562885579.db2.gz BRNKHWSYACFKQC-UZLBHIALSA-N -1 0 555.638 6.261 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CCC(C)(C)CC2)cc1 ZINC000299834964 562886646 /nfs/dbraw/zinc/88/66/46/562886646.db2.gz UBUMMWDGHYPBOH-MUUNZHRXSA-N -1 0 542.720 6.518 1 0 KKAFRM Cc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000299838010 562887735 /nfs/dbraw/zinc/88/77/35/562887735.db2.gz PXIAYCBQSLLBFU-UHFFFAOYSA-N -1 0 554.705 6.222 1 0 KKAFRM CCCC(=O)N1C[C@H](C(=O)[O-])Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc21 ZINC000299839335 562888163 /nfs/dbraw/zinc/88/81/63/562888163.db2.gz XVRFPOJZAQIRMJ-AREMUKBSSA-N -1 0 516.594 5.319 1 0 KKAFRM COC(=O)CC[C@]1(C)[C@H]2CC[C@@H]3[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]2(C)CC[C@H]1[C@H](C)COC(C)=O ZINC000299846982 562889803 /nfs/dbraw/zinc/88/98/03/562889803.db2.gz BSVLPFLIRWOLJN-WSJAFJOTSA-N -1 0 546.789 7.141 1 0 KKAFRM CCOC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@@H]2CC[C@@H]3[C@H]4[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)C(=O)[O-])cc1 ZINC000299847837 562890088 /nfs/dbraw/zinc/89/00/88/562890088.db2.gz GXHGBCQYCGPGDC-UKHWJOBVSA-N -1 0 668.872 5.558 1 0 KKAFRM CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(F)c(Oc2ncc(CCn3nccn3)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000299847897 562890109 /nfs/dbraw/zinc/89/01/09/562890109.db2.gz XCBTVXBVMIPKDI-UAPYVXQJSA-N -1 0 577.579 6.132 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2ccc(OC[C@H](O)c3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000299854161 562891284 /nfs/dbraw/zinc/89/12/84/562891284.db2.gz VGAHUVFSRICZPZ-SIBVEZHUSA-N -1 0 546.576 5.418 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2ccc(OC[C@@H](O)c3nc(-c4ccccc4)oc3C)cc2)cc1 ZINC000299854160 562891291 /nfs/dbraw/zinc/89/12/91/562891291.db2.gz VGAHUVFSRICZPZ-AFMDSPMNSA-N -1 0 546.576 5.418 1 0 KKAFRM COc1cccc(-c2cc(=O)n(C[C@H]3CCc4c(cccc4OCC(=O)[O-])C3)nc2-c2ccc(C)cc2)c1 ZINC000299855398 562891659 /nfs/dbraw/zinc/89/16/59/562891659.db2.gz DXCNYEIWUOLVFU-NRFANRHFSA-N -1 0 510.590 5.163 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Br)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299856797 562892007 /nfs/dbraw/zinc/89/20/07/562892007.db2.gz CDNIDXJHHWSSAC-OUKQBFOZSA-N -1 0 676.572 5.489 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299858371 562892444 /nfs/dbraw/zinc/89/24/44/562892444.db2.gz GLTSCVBMRODKDO-BUHFOSPRSA-N -1 0 626.689 5.615 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=O)N1CCC(=O)[O-] ZINC000299860020 562892877 /nfs/dbraw/zinc/89/28/77/562892877.db2.gz GHBPFHZBSFDENE-XMMPIXPASA-N -1 0 528.483 5.524 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299862706 562893649 /nfs/dbraw/zinc/89/36/49/562893649.db2.gz NPMJJSYBLGHTHV-VAWYXSNFSA-N -1 0 644.132 5.524 1 0 KKAFRM COc1ccc(CNC(=S)c2ccc(-c3cc(C(=O)[O-])nn3-c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000299864200 562894031 /nfs/dbraw/zinc/89/40/31/562894031.db2.gz QTWCHVWOXHAAPT-UHFFFAOYSA-N -1 0 512.418 6.018 1 0 KKAFRM O=C([O-])c1cc(-c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000299866287 562894638 /nfs/dbraw/zinc/89/46/38/562894638.db2.gz VQGXARLJUIWIIL-UHFFFAOYSA-N -1 0 545.220 6.237 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299866423 562894667 /nfs/dbraw/zinc/89/46/67/562894667.db2.gz OYFYTVWQUWWPRO-OUKQBFOZSA-N -1 0 702.610 6.023 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5ccccc5)c4=S)CC3)c(F)cc2c1=O ZINC000299867037 562894783 /nfs/dbraw/zinc/89/47/83/562894783.db2.gz XIJLJJOOJMZTBA-UHFFFAOYSA-N -1 0 612.687 5.043 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Br)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299867723 562894930 /nfs/dbraw/zinc/89/49/30/562894930.db2.gz YOODVGSEVARCKC-SDNWHVSQSA-N -1 0 661.557 5.704 1 0 KKAFRM O=C([O-])c1cc(-c2cccc(C[NH2+]Cc3ccc(-c4ccc(C(=O)[O-])o4)cc3)c2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000299868052 562894990 /nfs/dbraw/zinc/89/49/90/562894990.db2.gz ZHHUECPVSHFAIA-UHFFFAOYSA-N -1 0 562.409 6.792 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299869032 562895221 /nfs/dbraw/zinc/89/52/21/562895221.db2.gz TUHNQHZBOKOQMZ-VAWYXSNFSA-N -1 0 688.583 5.633 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299870887 562895547 /nfs/dbraw/zinc/89/55/47/562895547.db2.gz XBBBOZJWAHMLGB-SDNWHVSQSA-N -1 0 687.595 6.238 1 0 KKAFRM Cc1ccc(COc2ccc(OCCCOc3ccc4c(c3)c(CC(=O)[O-])cn4Cc3ccccc3)cc2)cc1 ZINC000473081350 562896633 /nfs/dbraw/zinc/89/66/33/562896633.db2.gz CFLSVQQJGLQILQ-UHFFFAOYSA-N -1 0 535.640 7.052 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3ccccc3OCc3ccc(Cl)cc3)cc12 ZINC000473083254 562896772 /nfs/dbraw/zinc/89/67/72/562896772.db2.gz NMVRGLSIAJPJEU-UHFFFAOYSA-N -1 0 556.058 7.397 1 0 KKAFRM CC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473083134 562896773 /nfs/dbraw/zinc/89/67/73/562896773.db2.gz ATGVOFHOFZKLPD-LJAQVGFWSA-N -1 0 615.652 7.910 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473083264 562896813 /nfs/dbraw/zinc/89/68/13/562896813.db2.gz BIXZGCLRWDRIEC-KRWDZBQOSA-N -1 0 627.541 7.500 1 0 KKAFRM Cc1ccc(Oc2cccc(OCCCOc3ccc4c(c3)c(CC(=O)[O-])cn4Cc3ccccc3)c2)cc1 ZINC000473083739 562896835 /nfs/dbraw/zinc/89/68/35/562896835.db2.gz PJXVFJUWCFLYCW-UHFFFAOYSA-N -1 0 521.613 7.265 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(Oc4ccc(Cl)cc4)c3)cc12 ZINC000473083637 562896836 /nfs/dbraw/zinc/89/68/36/562896836.db2.gz OWOWISGDDJAXTB-UHFFFAOYSA-N -1 0 542.031 7.610 1 0 KKAFRM Cc1ccc(COc2cccc(OCCOc3ccc4c(c3)c(CC(=O)[O-])cn4Cc3ccccc3)c2)cc1 ZINC000473085267 562896966 /nfs/dbraw/zinc/89/69/66/562896966.db2.gz WDQFKGLJQOUHPE-UHFFFAOYSA-N -1 0 521.613 6.662 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473086971 562897115 /nfs/dbraw/zinc/89/71/15/562897115.db2.gz JGECKCBLHGDXHC-GOSISDBHSA-N -1 0 609.551 7.361 1 0 KKAFRM COc1nccc(-c2nn([C@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)n1 ZINC000473087564 562897210 /nfs/dbraw/zinc/89/72/10/562897210.db2.gz KRGCJQVFOGAQKA-GOSISDBHSA-N -1 0 605.573 5.881 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21 ZINC000473091475 562897694 /nfs/dbraw/zinc/89/76/94/562897694.db2.gz YPIUGMFQHBZWOR-LJAQVGFWSA-N -1 0 660.693 7.785 1 0 KKAFRM CCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473104178 562898149 /nfs/dbraw/zinc/89/81/49/562898149.db2.gz OQNRWQFLTSBPFQ-INZQZIMRSA-N -1 0 852.645 7.720 1 0 KKAFRM Cc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)ccc1N(CC(=O)[O-])C(=O)c1ccccc1 ZINC000473154233 562902094 /nfs/dbraw/zinc/90/20/94/562902094.db2.gz FNBMYUZXFIOFJY-UHFFFAOYSA-N -1 0 615.748 6.403 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(N(CC(=O)[O-])C(=O)c3ccoc3)cc2)c1 ZINC000473154394 562902117 /nfs/dbraw/zinc/90/21/17/562902117.db2.gz GXLMIEULRPPKSC-UHFFFAOYSA-N -1 0 591.682 5.687 1 0 KKAFRM Cc1c(Cl)c2ccccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473201033 562903825 /nfs/dbraw/zinc/90/38/25/562903825.db2.gz PZTBFDZHFYESNM-UHFFFAOYSA-N -1 0 550.942 6.189 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)[C@H](OC(=O)C[C@@H]4[C@@]5(C)CCC(=O)OC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000473249900 562905148 /nfs/dbraw/zinc/90/51/48/562905148.db2.gz YRXHQPTVCWKAEZ-REMGLVTPSA-N -1 0 518.691 5.125 1 0 KKAFRM CN(Cc1ccnc2ccccc12)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668919 562906107 /nfs/dbraw/zinc/90/61/07/562906107.db2.gz IMWXFYZQAHLFJG-UHFFFAOYSA-N -1 0 523.614 5.827 1 0 KKAFRM CCCCCn1c(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)nc2ccccc21 ZINC000653697680 562907143 /nfs/dbraw/zinc/90/71/43/562907143.db2.gz OYDAXXCFMOAPPQ-UHFFFAOYSA-N -1 0 531.632 5.036 1 0 KKAFRM CCCOc1cc(=O)c2c([O-])c(OCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653701099 562907494 /nfs/dbraw/zinc/90/74/94/562907494.db2.gz WPQBCUYBRTZYCY-UHSQPCAPSA-N -1 0 564.587 5.331 1 0 KKAFRM COC(=O)[C@H](CC(C)C)N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000653710255 562908080 /nfs/dbraw/zinc/90/80/80/562908080.db2.gz HHXVVFZSAPFLCP-PZLZPRKGSA-N -1 0 537.505 5.909 1 0 KKAFRM COC(=O)[C@H](CC(C)C)N[P@@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc2c1 ZINC000653714810 562908453 /nfs/dbraw/zinc/90/84/53/562908453.db2.gz NJYJLZHENCTSPI-OXYFNFBCSA-N -1 0 553.504 5.614 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccco2)cc(C)c1Cl ZINC000653726145 562909120 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CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000653754333 562910828 /nfs/dbraw/zinc/91/08/28/562910828.db2.gz QXBMFJRRKPIAKY-GSDHBNRESA-N -1 0 516.594 5.053 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653754350 562910859 /nfs/dbraw/zinc/91/08/59/562910859.db2.gz WJNVIBVADFEWGY-UHFFFAOYSA-N -1 0 707.853 7.365 1 0 KKAFRM CSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000653757079 562910979 /nfs/dbraw/zinc/91/09/79/562910979.db2.gz IBZARWXGSLQAJM-QFIPXVFZSA-N -1 0 573.726 6.496 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653757179 562911041 /nfs/dbraw/zinc/91/10/41/562911041.db2.gz ULMCNFITOCZJSF-UHFFFAOYSA-N -1 0 691.854 7.399 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653761900 562911339 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562915074 /nfs/dbraw/zinc/91/50/74/562915074.db2.gz YMNCWHKTWVPHSL-LJAQVGFWSA-N -1 0 570.476 7.417 1 0 KKAFRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc([C@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000653847521 562915241 /nfs/dbraw/zinc/91/52/41/562915241.db2.gz PAYMGAZHYVJJLS-PMACEKPBSA-N -1 0 578.540 8.024 1 0 KKAFRM COc1cc(OC)cc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2[C@@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)c1 ZINC000653849279 562915404 /nfs/dbraw/zinc/91/54/04/562915404.db2.gz JSMZATREWQMJQH-HHHXNRCGSA-N -1 0 580.468 6.281 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 ZINC000653850107 562915438 /nfs/dbraw/zinc/91/54/38/562915438.db2.gz RTNIRCAEPMWZSM-VWLOTQADSA-N -1 0 520.416 6.264 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)/C=C\c5ccc(O)cc5)[C@H](O)C[C@@]43C)[C@H]2C1 ZINC000085491530 565126967 /nfs/dbraw/zinc/12/69/67/565126967.db2.gz KWLOAKAXMOYBRK-ZIYKNPLVSA-N -1 0 618.855 8.174 1 0 biogenic,in-vitro KKAFRM CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@]2(O)CCC[C@H]2Cc2ccc(-c3cccc(O)c3)[nH]2)[C@H](O)C1 ZINC000085492670 565127832 /nfs/dbraw/zinc/12/78/32/565127832.db2.gz KRNBYBHHPLNJPF-FATFDLMPSA-N -1 0 608.840 7.173 1 0 biogenic,in-vitro KKAFRM CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@@H]1Oc2c4ccc(c2O[C@H]31)Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC4 ZINC000095911592 565179672 /nfs/dbraw/zinc/17/96/72/565179672.db2.gz KYZZPEGKTBNRRF-LDOHYZHSSA-N -1 0 656.819 10.237 1 0 biogenic,in-vitro KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000100776733 571822351 /nfs/dbraw/zinc/82/23/51/571822351.db2.gz WTRSURIFLHBSLZ-QEAWWPTLSA-N -1 0 574.802 8.133 1 0 endogenous,in-man KKAFRM C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100783691 574412472 /nfs/dbraw/zinc/41/24/72/574412472.db2.gz GZQIINDHMUJEAM-LOFPENBFSA-N -1 0 588.826 5.553 1 0 endogenous,in-man KKAFRM COC(=O)[C@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2C1 ZINC000257639039 574412978 /nfs/dbraw/zinc/41/29/78/574412978.db2.gz YAGYBNOEVSEGSL-MCNUTMFPSA-N -1 0 516.719 5.359 1 0 endogenous,in-man KKAFRM CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000028756917 581095081 /nfs/dbraw/zinc/09/50/81/581095081.db2.gz GILGJJVLNYZSAA-LJAQVGFWSA-N -1 0 506.667 8.653 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@H]4CC[C@@]3(C)[C@H]12 ZINC000026743681 581095622 /nfs/dbraw/zinc/09/56/22/581095622.db2.gz FILHRDIXAYLUHH-AYRRMANBSA-N -1 0 540.697 5.665 1 0 in-vivo KKAFRM CC(C)CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000069482050 291912114 /nfs/dbraw/zinc/91/21/14/291912114.db2.gz XOIBSYJJFVJINZ-CYYIJINESA-N -1 0 554.812 8.010 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@H](Oc6ccccc6)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000069482215 291913776 /nfs/dbraw/zinc/91/37/76/291913776.db2.gz IGNANJFNVVAUKV-XONWOCSYSA-N -1 0 532.809 9.320 1 0 biogenic,in-vitro KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc3c(c2)CCCC3)cc1 ZINC000044308287 551089809 /nfs/dbraw/zinc/08/98/09/551089809.db2.gz SGTLXOZGCVZYAN-UHFFFAOYSA-N -1 0 579.644 7.251 1 0 KKAFRM CCCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2[C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)cc1Cl ZINC000095574908 551090115 /nfs/dbraw/zinc/09/01/15/551090115.db2.gz VEXHFZLCFRSPSZ-SFHVURJKSA-N -1 0 600.930 7.780 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c2ccc3c(c2)CCC3)cc1 ZINC000049878119 551090268 /nfs/dbraw/zinc/09/02/68/551090268.db2.gz MDDANNKYTHKAHR-UHFFFAOYSA-N -1 0 566.510 7.148 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000261103702 551090549 /nfs/dbraw/zinc/09/05/49/551090549.db2.gz GZGAUBCVTUVGJU-OLLUBJOZSA-N -1 0 574.549 7.324 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000068249925 551090834 /nfs/dbraw/zinc/09/08/34/551090834.db2.gz QSZJSUYLKJZUKX-MTABRHERSA-N -1 0 652.671 7.568 1 0 KKAFRM Cc1ccc(C2=CC(C)(C)Oc3c(Br)cc(C(=O)Nc4cc(F)c(C(=O)[O-])c(F)c4)cc32)cc1 ZINC000001895357 561680115 /nfs/dbraw/zinc/68/01/15/561680115.db2.gz WUAPWPUJPJRJLX-UHFFFAOYSA-N -1 0 528.349 6.589 1 0 KKAFRM CC(SCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000001903292 561680147 /nfs/dbraw/zinc/68/01/47/561680147.db2.gz DCEPEKRTTWYYJC-UHFFFAOYSA-N -1 0 586.713 8.022 1 0 KKAFRM CCCc1nc(C(F)(F)C(F)(F)F)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001494544 561676562 /nfs/dbraw/zinc/67/65/62/561676562.db2.gz RQGDXPDTZWGCQI-UHFFFAOYSA-N -1 0 506.435 5.083 1 0 investigational KKAFRM C[C@@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000001533738 561676648 /nfs/dbraw/zinc/67/66/48/561676648.db2.gz DHBXJMYACXFGDK-JRPXNJEYSA-N -1 0 564.147 7.822 1 0 KKAFRM [O-]c1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br ZINC000001565005 561677694 /nfs/dbraw/zinc/67/76/94/561677694.db2.gz LXMNWKJHYOZUQL-UHFFFAOYSA-N -1 0 553.668 6.200 1 0 in-vitro KKAFRM Cc1c2cc(OCc3ccc4ccccc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001914823 561680287 /nfs/dbraw/zinc/68/02/87/561680287.db2.gz IAPHVWDHXFWFFG-UHFFFAOYSA-N -1 0 513.037 7.432 1 0 KKAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2cccs2)nc1 ZINC000002004398 561680331 /nfs/dbraw/zinc/68/03/31/561680331.db2.gz QJOCZMWMMREHAY-UHFFFAOYSA-N -1 0 557.723 5.273 1 0 KKAFRM COc1c(CC=C(C)C)c([O-])c([C@@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660720 561679202 /nfs/dbraw/zinc/67/92/02/561679202.db2.gz BAXWGCKHMROHKQ-TZIWHRDSSA-N -1 0 570.679 5.684 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Nc2nc(-c3cccs3)nc3ccc(I)cc32)cc1 ZINC000001663602 561679360 /nfs/dbraw/zinc/67/93/60/561679360.db2.gz ZHTREVGFEBGGPT-UHFFFAOYSA-N -1 0 591.481 5.964 1 0 KKAFRM CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)([O-])O)cc1)c1ccc(C)cc1 ZINC000003777026 561682284 /nfs/dbraw/zinc/68/22/84/561682284.db2.gz JOINRQQZTBJMDC-VWNXMTODSA-N -1 0 502.548 5.277 1 0 KKAFRM O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 ZINC000003803297 561682652 /nfs/dbraw/zinc/68/26/52/561682652.db2.gz BLFSPSZATDQQMK-NDEPHWFRSA-N -1 0 503.708 6.912 1 0 in-vitro KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000003816171 561683023 /nfs/dbraw/zinc/68/30/23/561683023.db2.gz KUJCTAHPIZEHFR-UHFFFAOYSA-N -1 0 532.641 5.555 1 0 KKAFRM Cn1cc(Cc2cn(CC(=O)N(CC(=O)[O-])Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000003842933 561684085 /nfs/dbraw/zinc/68/40/85/561684085.db2.gz SBMHFUHIBLNLAR-UHFFFAOYSA-N -1 0 679.696 5.798 1 0 KKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 ZINC000003943674 561689682 /nfs/dbraw/zinc/68/96/82/561689682.db2.gz PJUPJKSRBKZKIZ-HHHXNRCGSA-N -1 0 576.476 6.751 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@@H](Cc1ccc(-c3ccccc3)cc1)CCC2 ZINC000003915625 561684761 /nfs/dbraw/zinc/68/47/61/561684761.db2.gz LRLBHWLNEJHHLJ-KFEXDJPSSA-N -1 0 540.635 5.941 1 0 in-vitro KKAFRM CCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003919504 561685554 /nfs/dbraw/zinc/68/55/54/561685554.db2.gz PZIQEBGCLCIQIQ-UHFFFAOYSA-N -1 0 605.820 5.683 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2csc(SC)n2)c1OC ZINC000003927582 561686888 /nfs/dbraw/zinc/68/68/88/561686888.db2.gz MUCFSURAOMWHPO-SANMLTNESA-N -1 0 571.761 7.072 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnn2c1ncc(-c1ccc(F)cc1)c2C1CCCCC1 ZINC000003928000 561686895 /nfs/dbraw/zinc/68/68/95/561686895.db2.gz VRXKLVPUFKAKLK-SANMLTNESA-N -1 0 525.584 5.490 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000003945590 561689884 /nfs/dbraw/zinc/68/98/84/561689884.db2.gz NMVZMWYBCUPLBD-XMMPIXPASA-N -1 0 663.264 10.011 1 0 KKAFRM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)OC ZINC000003940102 561689150 /nfs/dbraw/zinc/68/91/50/561689150.db2.gz UGCQXMLNDCDBGG-MHZLTWQESA-N -1 0 611.724 5.611 1 0 KKAFRM CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCNC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000003952704 561690713 /nfs/dbraw/zinc/69/07/13/561690713.db2.gz XLLBHYOQOOFVLH-LJAQVGFWSA-N -1 0 587.676 6.219 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1cccnc1)c1cccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)c1 ZINC000004675074 561695143 /nfs/dbraw/zinc/69/51/43/561695143.db2.gz LMSWDFLNAYPJJD-QRQIAZFYSA-N -1 0 529.681 7.294 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005957660 561700703 /nfs/dbraw/zinc/70/07/03/561700703.db2.gz KQAYCLXEQVMWMJ-XZWHSSHBSA-N -1 0 633.742 5.368 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(c4ccc(SCC(=O)[O-])cc4)[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033354262 553929005 /nfs/dbraw/zinc/92/90/05/553929005.db2.gz LFYAXIZCYSPNER-ZPGRZCPFSA-N -1 0 697.860 7.102 2 0 KKAFRM CC(C)C/C=C/C1=NN(c2cccc(S(=O)(=O)[O-])c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009739 561701697 /nfs/dbraw/zinc/70/16/97/561701697.db2.gz GPGNZNHYQCLSRN-LNJOJYBOSA-N -1 0 528.681 5.145 1 0 KKAFRM COc1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)[O-])c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000006009729 561701698 /nfs/dbraw/zinc/70/16/98/561701698.db2.gz DLAZWWXTRZZSCN-VSOVPVGVSA-N -1 0 578.697 5.265 1 0 KKAFRM O=C1CS[C@@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009736 561701704 /nfs/dbraw/zinc/70/17/04/561701704.db2.gz ABMBJDYFYWLVDW-LTDXDOBXSA-N -1 0 554.700 5.318 1 0 KKAFRM CSc1nc(N[C@H](Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)[O-])c(C(=O)c2ccccc2)s1 ZINC000012358119 561710280 /nfs/dbraw/zinc/71/02/80/561710280.db2.gz SJCMFFSBQPFMEF-HSZRJFAPSA-N -1 0 588.711 5.860 1 0 KKAFRM CCO[C@@H](Cc1ccc(OCCn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1)C(=O)[O-] ZINC000012358196 561710284 /nfs/dbraw/zinc/71/02/84/561710284.db2.gz MFNINLDQACVMCQ-DEOSSOPVSA-N -1 0 561.270 6.431 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358490 561710576 /nfs/dbraw/zinc/71/05/76/561710576.db2.gz BSYLKYWBLKSLBJ-VWLOTQADSA-N -1 0 512.027 6.957 1 0 KKAFRM Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358529 561710595 /nfs/dbraw/zinc/71/05/95/561710595.db2.gz QUFDAJDYOPXGGD-UUWRZZSWSA-N -1 0 533.624 7.403 1 0 KKAFRM CCCCN(Cc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000012725891 561711132 /nfs/dbraw/zinc/71/11/32/561711132.db2.gz GLYBKWIRMABSSB-NDEPHWFRSA-N -1 0 500.639 5.486 3 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000013437650 561712071 /nfs/dbraw/zinc/71/20/71/561712071.db2.gz QFBHHQYVJOIBDA-DEOSSOPVSA-N -1 0 516.557 5.435 1 0 KKAFRM COc1cccc(OC)c1-c1ccc(C[C@@H](Nc2ccc(S(=O)(=O)c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000013439272 561712377 /nfs/dbraw/zinc/71/23/77/561712377.db2.gz NDABWQNECMYXRV-RUZDIDTESA-N -1 0 517.603 5.311 1 0 KKAFRM COc1cccc(OC)c1-c1ccc(C[C@H](Nc2ccc(S(=O)(=O)c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000013439275 561712386 /nfs/dbraw/zinc/71/23/86/561712386.db2.gz NDABWQNECMYXRV-VWLOTQADSA-N -1 0 517.603 5.311 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccccc1Br)C(=O)c1ccc(Cl)cc1Cl ZINC000013494012 561716754 /nfs/dbraw/zinc/71/67/54/561716754.db2.gz ZLGJFQYOXCTUGQ-NRFANRHFSA-N -1 0 507.211 6.094 1 0 KKAFRM O=C([O-])COc1cccc2c(CCSC(c3ccccc3)(c3ccccc3)C(F)(F)F)c(CO)oc21 ZINC000013671562 561723802 /nfs/dbraw/zinc/72/38/02/561723802.db2.gz UQAGCAUWYZNISV-UHFFFAOYSA-N -1 0 516.537 6.170 1 0 KKAFRM Cc1ccccc1-c1nc(C(=O)Nc2ccc(N(C)C)c(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674715 561723878 /nfs/dbraw/zinc/72/38/78/561723878.db2.gz UKVCYRKKYUVFFC-UHFFFAOYSA-N -1 0 526.681 6.551 1 0 KKAFRM Cc1ccccc1-c1nc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674713 561723881 /nfs/dbraw/zinc/72/38/81/561723881.db2.gz FKSHXOWRGIUYLQ-UHFFFAOYSA-N -1 0 501.602 6.624 1 0 KKAFRM Cc1c(CCCCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678395 561724313 /nfs/dbraw/zinc/72/43/13/561724313.db2.gz VGTHAPHFJJDORC-UHFFFAOYSA-N -1 0 524.060 8.341 1 0 KKAFRM CCCCc1nc2ccc(N(C)S(=O)(=O)CCC)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732059 561725345 /nfs/dbraw/zinc/72/53/45/561725345.db2.gz WMFUISBCAOLGDW-UHFFFAOYSA-N -1 0 519.667 5.968 1 0 KKAFRM O=C([O-])CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1cccnc1 ZINC000013733186 561725415 /nfs/dbraw/zinc/72/54/15/561725415.db2.gz KVNYICIYEISPHS-ZXKDJJQISA-N -1 0 518.557 5.308 1 0 KKAFRM O=C([O-])CCC/C=C(/c1cccnc1)c1ccc2c(c1)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000013733273 561725430 /nfs/dbraw/zinc/72/54/30/561725430.db2.gz KHQYDHFXPAZDBK-VNWDDFOMSA-N -1 0 511.043 5.257 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2c[nH]nn2)c1OC ZINC000013740550 561726016 /nfs/dbraw/zinc/72/60/16/561726016.db2.gz ZQCFGHVVUMADNA-VWLOTQADSA-N -1 0 509.603 5.011 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](CC(C)C)c2ccccc2)c1 ZINC000013742364 561726225 /nfs/dbraw/zinc/72/62/25/561726225.db2.gz INWIJMBQRFVKAJ-BYYANBMRSA-N -1 0 524.661 7.562 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCCc1c(-c2ccc(C(=O)[O-])cc2)cn(Cc2cccnc2)c1-3 ZINC000013742705 561726335 /nfs/dbraw/zinc/72/63/35/561726335.db2.gz MLYPEJAEERBLRW-UHFFFAOYSA-N -1 0 504.674 7.801 1 0 KKAFRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744237 561726595 /nfs/dbraw/zinc/72/65/95/561726595.db2.gz MSYTWGRTZFXVLE-HXOBKFHXSA-N -1 0 510.631 5.398 1 0 KKAFRM COc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1 ZINC000013747512 561726997 /nfs/dbraw/zinc/72/69/97/561726997.db2.gz XRZLQRNEJHEDNN-UHFFFAOYSA-N -1 0 518.720 6.982 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1 ZINC000013747572 561727093 /nfs/dbraw/zinc/72/70/93/561727093.db2.gz SFIIWUOLFKHLIY-UHFFFAOYSA-N -1 0 529.658 7.680 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(CC(C)C)CC(C)C)c1 ZINC000013760643 561727589 /nfs/dbraw/zinc/72/75/89/561727589.db2.gz NMSYCYWNCNQZNH-FCDQGJHFSA-N -1 0 504.671 7.560 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCC3CCCCC3)co2)cc1)c1cccnc1 ZINC000013782521 561729697 /nfs/dbraw/zinc/72/96/97/561729697.db2.gz WMXZEBHSAJEWND-LUOAPIJWSA-N -1 0 531.653 6.140 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)cc1 ZINC000013828005 561733140 /nfs/dbraw/zinc/73/31/40/561733140.db2.gz GPDPEDZYDMMVIC-VWLOTQADSA-N -1 0 519.045 5.779 1 0 KKAFRM CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)[O-])n1Cc1ccc(I)cc1 ZINC000013831903 561733440 /nfs/dbraw/zinc/73/34/40/561733440.db2.gz KJVRLNBQTUKOTM-SFQUDFHCSA-N -1 0 506.409 5.651 1 0 KKAFRM CCCCn1c2ccc(OCc3ccc(-c4ccccc4)cn3)c3c2c(c1CC(C)(C)C(=O)[O-])S[C@H](C)C3 ZINC000013832967 561733737 /nfs/dbraw/zinc/73/37/37/561733737.db2.gz VMSIESGTKJKYPT-OAQYLSRUSA-N -1 0 528.718 7.772 1 0 KKAFRM CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)CCCC(=O)[O-] ZINC000013835885 561734337 /nfs/dbraw/zinc/73/43/37/561734337.db2.gz ZQFJAYPXULOTOI-NDXMFXSYSA-N -1 0 519.034 6.013 1 0 KKAFRM Cc1nc(C(=O)[C@H](Oc2ccc(SCCCCCc3ccccc3)cc2)c2ccccc2)sc1CCCC(=O)[O-] ZINC000014128221 561736959 /nfs/dbraw/zinc/73/69/59/561736959.db2.gz PAJFUDDDDRLYEN-JGCGQSQUSA-N -1 0 573.780 8.367 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2csc(OC)n2)c1OC ZINC000014254639 561738528 /nfs/dbraw/zinc/73/85/28/561738528.db2.gz PKXKEQQNXAOFDZ-AREMUKBSSA-N -1 0 555.693 6.358 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H](Cc2ccccc2)C(C)(C)C)C(=O)[O-])cc1 ZINC000014946713 561744162 /nfs/dbraw/zinc/74/41/62/561744162.db2.gz VYHHUOJHTPBTJY-SXOMAYOGSA-N -1 0 544.758 5.286 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC(C)C)cc1 ZINC000014946763 561744317 /nfs/dbraw/zinc/74/43/17/561744317.db2.gz ZMNUYIKTJGCNHC-PMERELPUSA-N -1 0 578.731 5.804 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000014946780 561744319 /nfs/dbraw/zinc/74/43/19/561744319.db2.gz NOUUYGLUXBQXTQ-PMERELPUSA-N -1 0 562.732 5.584 1 0 KKAFRM CC(C)CN(C(=O)c1ccccc1)[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000014946770 561744339 /nfs/dbraw/zinc/74/43/39/561744339.db2.gz SNDWZSJWKANRDD-LJAQVGFWSA-N -1 0 528.649 5.947 1 0 KKAFRM CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000014946769 561744355 /nfs/dbraw/zinc/74/43/55/561744355.db2.gz WFVLXAJTZZDGIZ-LJAQVGFWSA-N -1 0 564.704 5.496 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4c(cccc4F)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955207 561747232 /nfs/dbraw/zinc/74/72/32/561747232.db2.gz YVHGLSYFEGTDEN-PZJWPPBQSA-N -1 0 521.599 5.439 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1cc(C)ccc1C ZINC000014963294 561748975 /nfs/dbraw/zinc/74/89/75/561748975.db2.gz FJQOIVAGPXCDDW-UHFFFAOYSA-N -1 0 525.605 5.850 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(F)cccc3F)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963446 561749077 /nfs/dbraw/zinc/74/90/77/561749077.db2.gz JFYFASKMSZLLPS-NRFANRHFSA-N -1 0 501.316 5.913 1 0 KKAFRM Cc1cc(Cl)c(C(=O)N[C@H](Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)[O-])c(Cl)n1 ZINC000014963592 561749176 /nfs/dbraw/zinc/74/91/76/561749176.db2.gz VQROSQYIAGWBBN-HXUWFJFHSA-N -1 0 549.241 6.645 1 0 KKAFRM CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)O[C@@H](CCC2CCCCC2)c2cncs2)CC1)C(=O)[O-] ZINC000014963996 561749268 /nfs/dbraw/zinc/74/92/68/561749268.db2.gz BJWFIOSIGHDXLF-SVBPBHIXSA-N -1 0 599.819 6.472 1 0 KKAFRM CS(=O)(=O)[N-]c1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2s1 ZINC000014965615 561749780 /nfs/dbraw/zinc/74/97/80/561749780.db2.gz MVJOUDCJKKXKMC-UHFFFAOYSA-N -1 0 540.520 6.262 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC000014966043 561749838 /nfs/dbraw/zinc/74/98/38/561749838.db2.gz GWZJIEHVGSRWQJ-SFTDATJTSA-N -1 0 573.543 5.917 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1C ZINC000014966029 561749865 /nfs/dbraw/zinc/74/98/65/561749865.db2.gz FHRCPGGLVYYPQM-GOTSBHOMSA-N -1 0 519.573 5.206 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccn2)c1C(=O)NCc1ccccc1 ZINC000014967820 561750267 /nfs/dbraw/zinc/75/02/67/561750267.db2.gz NSBZOVKKHKKXHM-CLJLJLNGSA-N -1 0 573.665 5.386 1 0 KKAFRM COc1ccccc1CCNC(=O)c1cc(Oc2c(Br)cc(CC(=O)[O-])cc2Br)ccc1O ZINC000014969340 561750544 /nfs/dbraw/zinc/75/05/44/561750544.db2.gz LZJNSIDSVOXSRG-UHFFFAOYSA-N -1 0 579.241 5.318 1 0 KKAFRM CCCC[C@H](NC(=O)O[C@H](Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 ZINC000014972278 561751496 /nfs/dbraw/zinc/75/14/96/561751496.db2.gz GMHBWGMFTPGDOI-UKILVPOCSA-N -1 0 623.698 5.211 1 0 KKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(-c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972512 561751604 /nfs/dbraw/zinc/75/16/04/561751604.db2.gz FWTLKBYOKWCAEO-UHFFFAOYSA-N -1 0 512.531 7.827 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(C)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000014976977 561752302 /nfs/dbraw/zinc/75/23/02/561752302.db2.gz OQAKDJLSFYPIPF-UHFFFAOYSA-N -1 0 573.860 7.979 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2ccsc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000021290106 561758906 /nfs/dbraw/zinc/75/89/06/561758906.db2.gz NUSIKGTVAZPOLW-RUZDIDTESA-N -1 0 541.629 5.743 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(-c2ccccc2)cc1)C[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000025990993 561764750 /nfs/dbraw/zinc/76/47/50/561764750.db2.gz BLSXPNUDVKINQR-LCRMXPIESA-N -1 0 514.666 6.183 1 0 KKAFRM CCCCCN(C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)C[C@H]1C(=O)[O-])c1ccccc1 ZINC000026159881 561768482 /nfs/dbraw/zinc/76/84/82/561768482.db2.gz NMDYNRKZGOCBLO-MHZLTWQESA-N -1 0 514.626 5.832 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(C=O)c(CC)nc2CCC)cc1 ZINC000026160003 561768485 /nfs/dbraw/zinc/76/84/85/561768485.db2.gz ZPSPESNKZSTNEL-UHFFFAOYSA-N -1 0 511.644 5.141 1 0 KKAFRM CC(C)[C@@H](OC(=O)C(C)(C)C)n1nnc(-c2ccccc2-c2ccc(Oc3c(C(=O)[O-])c4ccccc4nc3C3CC3)cc2)n1 ZINC000026160479 561768575 /nfs/dbraw/zinc/76/85/75/561768575.db2.gz OMSQPRZIJLTFMM-JGCGQSQUSA-N -1 0 605.695 7.667 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(Br)c1 ZINC000026162555 561768670 /nfs/dbraw/zinc/76/86/70/561768670.db2.gz SKPAGJONYMKFEL-UHFFFAOYSA-N -1 0 620.566 5.877 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000026161957 561768684 /nfs/dbraw/zinc/76/86/84/561768684.db2.gz JTIOTPJAIFIFFX-MHZLTWQESA-N -1 0 523.633 5.702 1 0 KKAFRM CCc1nc(CC)n(Cc2ccc3oc(-c4ccccc4[N-]S(=O)(=O)C(F)(F)F)c(Br)c3c2)c1C(=O)NC ZINC000026162849 561768710 /nfs/dbraw/zinc/76/87/10/561768710.db2.gz PRWPCOBKSLLDSH-UHFFFAOYSA-N -1 0 613.456 5.853 1 0 KKAFRM CCCCc1ncc(C=C(Cc2cccs2)C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000026163944 561768944 /nfs/dbraw/zinc/76/89/44/561768944.db2.gz SCWWFIUVYGCBTH-HKWRFOASSA-N -1 0 643.567 7.402 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Oc2ccc(C(=O)NC[C@H](F)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168519 561769590 /nfs/dbraw/zinc/76/95/90/561769590.db2.gz RCMCOMRENMFXOA-XZWHSSHBSA-N -1 0 568.645 6.562 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026172501 561770150 /nfs/dbraw/zinc/77/01/50/561770150.db2.gz XNNDVZWCQPPMHC-RUZDIDTESA-N -1 0 556.581 6.052 1 0 KKAFRM Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccsc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000026293799 561781041 /nfs/dbraw/zinc/78/10/41/561781041.db2.gz PZBNHZOXFOMEDO-IOWSJCHKSA-N -1 0 579.722 6.009 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000026180945 561771731 /nfs/dbraw/zinc/77/17/31/561771731.db2.gz ZDFSYAOXTZGFDT-NDEPHWFRSA-N -1 0 538.648 5.339 1 0 KKAFRM COc1ccc(-c2nc3n(c2CN(C)CCc2ccccn2)c(=O)c(-c2cccc([S-])c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026279860 561778892 /nfs/dbraw/zinc/77/88/92/561778892.db2.gz PRZCBMSOLMQEGT-UHFFFAOYSA-N -1 0 619.766 6.693 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026392469 561786151 /nfs/dbraw/zinc/78/61/51/561786151.db2.gz UDDCVNQAOBQZEZ-QPKFISTISA-N -1 0 648.643 5.105 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccc(F)cc2)cc1)C(C)(C)C ZINC000026392941 561786152 /nfs/dbraw/zinc/78/61/52/561786152.db2.gz IKJQAKILPMDYQE-XRKRLSELSA-N -1 0 566.654 5.713 1 0 KKAFRM CCCSC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026393631 561786298 /nfs/dbraw/zinc/78/62/98/561786298.db2.gz AEOGPKLNXHHMSN-QQWJIEJLSA-N -1 0 680.710 5.058 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccc(C)cc2)cc1)C(C)(C)C ZINC000026396227 561786983 /nfs/dbraw/zinc/78/69/83/561786983.db2.gz WNPLPMIXLXNWFU-LOYHVIPDSA-N -1 0 562.691 5.882 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CCCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026396561 561787150 /nfs/dbraw/zinc/78/71/50/561787150.db2.gz VPODUSBOCNZAFZ-ZSBKDRTMSA-N -1 0 604.192 5.140 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2cccc(F)c2)cc1)C(C)(C)C ZINC000026397265 561787333 /nfs/dbraw/zinc/78/73/33/561787333.db2.gz WQBAMGDQVHWIOJ-LMSSTIIKSA-N -1 0 566.654 5.713 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026397406 561787423 /nfs/dbraw/zinc/78/74/23/561787423.db2.gz VAQVSMUJBPTVIS-LMSSTIIKSA-N -1 0 583.109 6.227 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2Cl)cc1)C(C)(C)C ZINC000026402284 561788674 /nfs/dbraw/zinc/78/86/74/561788674.db2.gz ZSRPSCNAFVEYRR-XRKRLSELSA-N -1 0 583.109 6.227 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccc(OC)cc2)cc1)C(C)(C)C ZINC000026402301 561788772 /nfs/dbraw/zinc/78/87/72/561788772.db2.gz DMUZNXFYXIXAFS-PQHLKRTFSA-N -1 0 578.690 5.582 1 0 KKAFRM CC(C)O[C@@H](Cc1ccc(OCc2noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1)C(=O)[O-] ZINC000026403460 561789033 /nfs/dbraw/zinc/78/90/33/561789033.db2.gz POVZJFCCQNWRJN-SFHVURJKSA-N -1 0 518.410 5.774 1 0 KKAFRM CCC[C@@H](Oc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000026466674 561789882 /nfs/dbraw/zinc/78/98/82/561789882.db2.gz RQFIOXPFEDCKHA-MGBGTMOVSA-N -1 0 629.266 10.355 1 0 KKAFRM COc1ccc(OC)c(-c2ccc([C@@H](CC(=O)[O-])NC(=O)[C@]3(C)CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000026480151 561791583 /nfs/dbraw/zinc/79/15/83/561791583.db2.gz QMQCRXWZYJCGTE-IRPSRAIASA-N -1 0 621.539 5.553 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)Cc3cccc4ccccc43)c2=O)cc1 ZINC000026480471 561791684 /nfs/dbraw/zinc/79/16/84/561791684.db2.gz ROCLWJSLVGHWTI-MGBGTMOVSA-N -1 0 645.756 5.638 1 0 KKAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc(F)cc2OC(F)(F)F)cc1 ZINC000026488715 561792896 /nfs/dbraw/zinc/79/28/96/561792896.db2.gz FQZRKFPOPDBXEO-PKTZIBPZSA-N -1 0 649.446 6.183 1 0 KKAFRM Cc1oc(C2CCCCC2)nc1CCOc1ccc(/C=C(\CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000026491019 561793264 /nfs/dbraw/zinc/79/32/64/561793264.db2.gz GDIIKRFQNXBIFB-LOBFVOGUSA-N -1 0 520.670 6.159 1 0 KKAFRM CS(=O)(=O)CCCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026494912 561794124 /nfs/dbraw/zinc/79/41/24/561794124.db2.gz GRKQLMXUWWDASB-QFIPXVFZSA-N -1 0 583.534 5.133 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507475 561796829 /nfs/dbraw/zinc/79/68/29/561796829.db2.gz NZTAZJDYGSXAMS-NSOVKSMOSA-N -1 0 560.691 6.483 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)C(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026567020 561797254 /nfs/dbraw/zinc/79/72/54/561797254.db2.gz BXKRYTWOXGKZKY-UHFFFAOYSA-N -1 0 588.876 9.193 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(CCc2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026571324 561798167 /nfs/dbraw/zinc/79/81/67/561798167.db2.gz NGIBWHCRTISQMK-AREMUKBSSA-N -1 0 628.687 9.278 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc([C@@H]2C[C@H]2c2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026573717 561798746 /nfs/dbraw/zinc/79/87/46/561798746.db2.gz UQJBBYJBUQUDNA-CLCZQPDDSA-N -1 0 640.698 9.764 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCO[P@](=O)([O-])Oc1ccccc1Cl ZINC000026576722 561800566 /nfs/dbraw/zinc/80/05/66/561800566.db2.gz DPQGNBRJNQDTDP-XMMPIXPASA-N -1 0 594.045 6.130 1 0 KKAFRM CCCCc1ccc(COc2ccc3c4c(c(CC(C)(C)C(=O)[O-])n3Cc3ccc(Cl)cc3)S[C@H](C)Cc42)nc1 ZINC000026666505 561811311 /nfs/dbraw/zinc/81/13/11/561811311.db2.gz DNMJJTUXOLEAAH-OAQYLSRUSA-N -1 0 577.190 8.350 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)CC(=O)[O-])c3S1 ZINC000026667742 561811576 /nfs/dbraw/zinc/81/15/76/561811576.db2.gz APXDSQONCWBBQU-HSZRJFAPSA-N -1 0 611.207 9.064 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1(=O)=O ZINC000026670309 561812184 /nfs/dbraw/zinc/81/21/84/561812184.db2.gz NLMNEVIHJVRDCQ-QFIPXVFZSA-N -1 0 629.178 7.356 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)n1 ZINC000026671093 561812420 /nfs/dbraw/zinc/81/24/20/561812420.db2.gz GBYVJKRBUNPVLB-ILFWFZRHSA-N -1 0 584.676 5.673 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc2c1OCCC2=O ZINC000026723495 561815536 /nfs/dbraw/zinc/81/55/36/561815536.db2.gz PCGXMMSIGYNWJC-VWLOTQADSA-N -1 0 510.583 5.213 1 0 KKAFRM CCC[C@@H](COc1ccccc1Oc1ccccc1C(=O)[O-])Cc1cc(O)c(-c2ccc(F)cc2)cc1CC ZINC000026726938 561816055 /nfs/dbraw/zinc/81/60/55/561816055.db2.gz BQNQOMRESIJCJF-JOCHJYFZSA-N -1 0 528.620 8.289 1 0 KKAFRM C[C@](Cc1ccc(Br)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026727825 561816318 /nfs/dbraw/zinc/81/63/18/561816318.db2.gz HMGDEYJMBGQTPV-OQARJILHSA-N -1 0 597.550 5.457 1 0 KKAFRM CC[C@H](CC(=O)[O-])S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000026729828 561816700 /nfs/dbraw/zinc/81/67/00/561816700.db2.gz SHPNVYORMASEAZ-FGIHNOBOSA-N -1 0 574.186 8.946 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@H](CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC(C)C)cc1 ZINC000026736763 561817629 /nfs/dbraw/zinc/81/76/29/561817629.db2.gz WNYDFZKPKIXAQS-ABYGYWHVSA-N -1 0 544.652 5.045 1 0 KKAFRM O=C(NCCS(=O)(=O)[O-])n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026738944 561817715 /nfs/dbraw/zinc/81/77/15/561817715.db2.gz XGVRPEQTMRKHMA-MUUNZHRXSA-N -1 0 590.658 5.114 1 0 KKAFRM CC(C)(Oc1cccc(CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)[O-] ZINC000026747370 561819025 /nfs/dbraw/zinc/81/90/25/561819025.db2.gz ABCWIDLSWVPNPO-UHFFFAOYSA-N -1 0 624.521 7.208 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)Cc2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000026850179 561827162 /nfs/dbraw/zinc/82/71/62/561827162.db2.gz SAVJQJYEOVAGCP-WUFINQPMSA-N -1 0 575.658 5.008 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000026973999 561830645 /nfs/dbraw/zinc/83/06/45/561830645.db2.gz PDLRMEVVAPMLSR-MXBOTTGLSA-N -1 0 531.674 6.248 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000026973984 561830670 /nfs/dbraw/zinc/83/06/70/561830670.db2.gz PDLRMEVVAPMLSR-SUYBVONHSA-N -1 0 531.674 6.248 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000026973991 561830714 /nfs/dbraw/zinc/83/07/14/561830714.db2.gz PDLRMEVVAPMLSR-HVNZXBJASA-N -1 0 531.674 6.248 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4cc(F)cc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026975839 561830953 /nfs/dbraw/zinc/83/09/53/561830953.db2.gz RITWDJLFSHWLCS-UHFFFAOYSA-N -1 0 526.451 5.947 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1 ZINC000026980067 561831248 /nfs/dbraw/zinc/83/12/48/561831248.db2.gz PMGUDAQYMXUKEI-UHFFFAOYSA-N -1 0 567.985 6.372 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026981414 561831392 /nfs/dbraw/zinc/83/13/92/561831392.db2.gz OLKUCEAMOZLPSI-UHFFFAOYSA-N -1 0 526.451 5.947 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000026985881 561831895 /nfs/dbraw/zinc/83/18/95/561831895.db2.gz DTQSORRPTAWCFK-SMXONETASA-N -1 0 702.833 5.877 1 0 KKAFRM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026993904 561832890 /nfs/dbraw/zinc/83/28/90/561832890.db2.gz WQPYGRKAOXZYEH-JTZWTTIBSA-N -1 0 693.914 6.136 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccccn2)c1 ZINC000027077729 561834451 /nfs/dbraw/zinc/83/44/51/561834451.db2.gz ZFQMMJJQAFLPQA-UHFFFAOYSA-N -1 0 550.637 5.229 1 0 KKAFRM CO[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)[O-])C(C)(C)C)c1ccccc1 ZINC000027102988 561839312 /nfs/dbraw/zinc/83/93/12/561839312.db2.gz FOOIUOKCYUZPDW-YCLCTBJKSA-N -1 0 558.719 6.068 1 0 KKAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2F)c2ccccc2C(=O)C[C@H]1C(=O)CC(=O)[O-] ZINC000027108210 561840714 /nfs/dbraw/zinc/84/07/14/561840714.db2.gz DULPIFZCJNQTLS-FKVSENEQSA-N -1 0 588.676 5.181 1 0 KKAFRM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000027213980 561847800 /nfs/dbraw/zinc/84/78/00/561847800.db2.gz RCPPREQPVRXKSR-LSYYVWMOSA-N -1 0 681.462 6.056 1 0 KKAFRM CC(=O)[C@H]1CC[C@@H]2[C@@H]3[C@H](Sc4ccc(NC(=O)N=S(=O)([O-])c5ccc(C)cc5)cc4)CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027315650 561851514 /nfs/dbraw/zinc/85/15/14/561851514.db2.gz YSNVGHNSFPEGCP-UAQPXJDSSA-N -1 0 634.864 7.518 1 0 KKAFRM Cn1ccnc1S(=O)(=O)Cc1cccc([C@H](c2c([O-])cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027317634 561851891 /nfs/dbraw/zinc/85/18/91/561851891.db2.gz GHMJSCWBXPMWLF-AREMUKBSSA-N -1 0 522.667 5.279 1 0 KKAFRM C[C@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000027324190 561853124 /nfs/dbraw/zinc/85/31/24/561853124.db2.gz RSRBQNJACKXCPP-NRFANRHFSA-N -1 0 504.586 6.014 1 0 KKAFRM CN(CCc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000027326157 561853692 /nfs/dbraw/zinc/85/36/92/561853692.db2.gz KZVHHFUKPTXKTE-UHFFFAOYSA-N -1 0 526.614 5.528 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000027425790 561858410 /nfs/dbraw/zinc/85/84/10/561858410.db2.gz PCXMELFTIIQIIF-DOJGLMCHSA-N -1 0 707.871 6.907 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(N[C@@H](C(=O)[O-])c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000027427768 561858798 /nfs/dbraw/zinc/85/87/98/561858798.db2.gz YGTGXBGVWRJJFN-HSZRJFAPSA-N -1 0 550.503 6.934 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429503 561858942 /nfs/dbraw/zinc/85/89/42/561858942.db2.gz JAKCRXOLNCFAGC-DOJGLMCHSA-N -1 0 707.871 6.907 1 0 KKAFRM CCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027430384 561859202 /nfs/dbraw/zinc/85/92/02/561859202.db2.gz ZFRCSMMBLAERFG-DWACAAAGSA-N -1 0 511.640 5.374 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCc2ccccc2C(=O)[O-])c3S1 ZINC000027522306 561864395 /nfs/dbraw/zinc/86/43/95/561864395.db2.gz HNKTZEFUHNHVJY-VWLOTQADSA-N -1 0 645.224 9.504 1 0 KKAFRM CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccccc2C(=O)[O-])c1CC(C)C ZINC000027517570 561861297 /nfs/dbraw/zinc/86/12/97/561861297.db2.gz ZXEDEODLNUWHIH-UHFFFAOYSA-N -1 0 558.646 8.298 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Sc1ccccc1C(=O)[O-] ZINC000027517718 561861468 /nfs/dbraw/zinc/86/14/68/561861468.db2.gz CAVSVHMDTRPSFI-UHFFFAOYSA-N -1 0 560.687 8.411 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000027517862 561861600 /nfs/dbraw/zinc/86/16/00/561861600.db2.gz DSHYGKAKVRNSRB-AOYPEHQESA-N -1 0 576.694 5.344 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CCOCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027518114 561861924 /nfs/dbraw/zinc/86/19/24/561861924.db2.gz ONPPNKKWBXFNOH-LJAQVGFWSA-N -1 0 549.627 5.792 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000027518384 561862247 /nfs/dbraw/zinc/86/22/47/561862247.db2.gz VNYQZPJONHDQNZ-SANMLTNESA-N -1 0 544.611 5.156 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc(-c3ccccc3)cn2)c1 ZINC000027521588 561864054 /nfs/dbraw/zinc/86/40/54/561864054.db2.gz CZJYWNTYOQKSBJ-PYBKWVRVSA-N -1 0 577.790 8.808 1 0 KKAFRM CCc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)nc1C ZINC000027521736 561864151 /nfs/dbraw/zinc/86/41/51/561864151.db2.gz PJVNGFRHENPVNP-ILZHQVLHSA-N -1 0 543.773 8.012 1 0 KKAFRM COc1ccc(Cl)cc1C(=O)NCCc1ccc(C[C@@](C)(Oc2ccc(C(C)C)cc2)C(=O)[O-])cc1 ZINC000027527040 561866548 /nfs/dbraw/zinc/86/65/48/561866548.db2.gz BMKVKYAEQJMMBB-GDLZYMKVSA-N -1 0 510.030 5.909 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(Br)cc(C)c(OC(=O)OC)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550434 561867718 /nfs/dbraw/zinc/86/77/18/561867718.db2.gz MOKLLQLCMBPHPV-XZLFFALTSA-N -1 0 727.730 7.044 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c([N+]#N)cc(C)c([O-])c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550910 561867902 /nfs/dbraw/zinc/86/79/02/561867902.db2.gz HCDUZJOJWRIWON-DQBJLQAUSA-O -1 0 617.804 6.327 1 0 KKAFRM CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccccc2[S-])C(C(=O)Nc2ccccc2Cl)=C(C)N1 ZINC000027552495 561868357 /nfs/dbraw/zinc/86/83/57/561868357.db2.gz JJINTTXXWNTCST-UHFFFAOYSA-N -1 0 524.473 6.794 1 0 KKAFRM CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCC)O[P@](=O)([O-])CCCc1ccccc1 ZINC000027552413 561868374 /nfs/dbraw/zinc/86/83/74/561868374.db2.gz NEIVDWDBIVCGCM-ZLPBPMGLSA-N -1 0 580.747 5.749 1 0 KKAFRM C[C@@H](OCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)[O-])c3cccnc3)cc2)n1)C1CCCCC1 ZINC000027625696 561873157 /nfs/dbraw/zinc/87/31/57/561873157.db2.gz VDSYMHSEFRKHET-OHPKEMRTSA-N -1 0 559.707 6.919 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N(Cc1cc2c(cc1Cl)OCO2)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027644080 561875534 /nfs/dbraw/zinc/87/55/34/561875534.db2.gz VUGYHBCNAYCAQG-AVAOGFIGSA-N -1 0 546.963 5.017 1 0 KKAFRM CC(C)CNc1cc(NS(=O)(=O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc2c(Cl)n[nH]c21 ZINC000027650824 561876598 /nfs/dbraw/zinc/87/65/98/561876598.db2.gz RCCKJVSWJIPUFI-UHFFFAOYSA-N -1 0 522.980 6.771 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000027655645 561877446 /nfs/dbraw/zinc/87/74/46/561877446.db2.gz JHIFZKHAPGQZHE-UHFFFAOYSA-N -1 0 506.687 6.755 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@H]1C2CCC(CC2)N1S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000027657216 561877966 /nfs/dbraw/zinc/87/79/66/561877966.db2.gz HTFUVFQHZHRUQQ-ASNXJVIMSA-N -1 0 706.457 5.753 1 0 KKAFRM CCCCc1nnc(S[C@@H](C(=O)OC)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027657987 561878272 /nfs/dbraw/zinc/87/82/72/561878272.db2.gz KKHSURYKUWQMJN-AREMUKBSSA-N -1 0 558.660 5.626 1 0 KKAFRM CCCc1nc2ccc(-c3nc4ccccc4n3C)nc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000027722306 561880738 /nfs/dbraw/zinc/88/07/38/561880738.db2.gz IMUOXKWBWQNQQR-UHFFFAOYSA-N -1 0 501.590 6.351 1 0 KKAFRM CCC(=O)O[C@H](OP(=O)(O[C@@H](OC(=O)CC)C(C)C)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-])C(C)C ZINC000027730032 561881321 /nfs/dbraw/zinc/88/13/21/561881321.db2.gz DYYCSKMPRLGJMD-IDZRBWSNSA-N -1 0 642.704 7.112 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@@H](O)C2CCCCC2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027759173 561883791 /nfs/dbraw/zinc/88/37/91/561883791.db2.gz JGIGBEKDNKBDDC-HRVFRSNESA-N -1 0 558.744 6.777 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000027763767 561884343 /nfs/dbraw/zinc/88/43/43/561884343.db2.gz CEKDCNUHZKZGEF-ZEQRLZLVSA-N -1 0 621.534 5.280 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cn(Cc3cccc4ccccc43)cn2)cc1-c1ccccc1)C(=O)[O-] ZINC000027867384 561887837 /nfs/dbraw/zinc/88/78/37/561887837.db2.gz CLZPPNRFLQMJGP-HKBQPEDESA-N -1 0 564.711 6.300 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(C(=O)NC(C)C)c1OC ZINC000027891813 561889915 /nfs/dbraw/zinc/88/99/15/561889915.db2.gz LCOBFNPHFDALDJ-SANMLTNESA-N -1 0 527.658 5.365 1 0 in-vivo KKAFRM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=S)SCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000027979349 561891451 /nfs/dbraw/zinc/89/14/51/561891451.db2.gz ICRFAHPLBWEPSD-GGYQXMIJSA-N -1 0 522.861 8.596 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](CCC(=O)[O-])CC3)ccc(-c2cscn2)c1OC ZINC000027979775 561891603 /nfs/dbraw/zinc/89/16/03/561891603.db2.gz QXRBKLSXANWSNZ-QFIPXVFZSA-N -1 0 553.721 7.130 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CC2)nc1OCCCNS(=O)(=O)c1cccs1 ZINC000028019057 561897986 /nfs/dbraw/zinc/89/79/86/561897986.db2.gz AEDJOIBTFWFFLB-UHFFFAOYSA-N -1 0 659.812 5.283 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nc(C(=O)[O-])c(-c2ccccc2)o1 ZINC000028021382 561898577 /nfs/dbraw/zinc/89/85/77/561898577.db2.gz QRKUSMQJMUQDFZ-RRPNLBNLSA-N -1 0 585.705 5.921 1 0 KKAFRM CCCc1sc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028089230 561899690 /nfs/dbraw/zinc/89/96/90/561899690.db2.gz AMWBNAUCSURVEV-BJKOFHAPSA-N -1 0 567.756 5.675 1 0 KKAFRM O=C([O-])C1CCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028092487 561900210 /nfs/dbraw/zinc/90/02/10/561900210.db2.gz DFODFKSDZXIEHN-UHFFFAOYSA-N -1 0 589.479 6.861 1 0 KKAFRM CC(C)=CCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[n-]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028102811 561901920 /nfs/dbraw/zinc/90/19/20/561901920.db2.gz BUAMETILSPHQJG-UHFFFAOYSA-N -1 0 571.486 5.800 1 0 KKAFRM O=C([O-])[C@@H](CCCCNC(=O)OCc1ccccc1)SC[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028112818 561903232 /nfs/dbraw/zinc/90/32/32/561903232.db2.gz OEEJAFJTSZSUOI-DNQXCXABSA-N -1 0 514.644 5.071 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)CC2CCCCC2)nc1C(=O)[O-] ZINC000028113272 561903392 /nfs/dbraw/zinc/90/33/92/561903392.db2.gz UAYDAFZHDUZNPZ-BJKOFHAPSA-N -1 0 536.673 5.074 1 0 KKAFRM COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)C(=O)[O-])cc1OC ZINC000028115593 561903662 /nfs/dbraw/zinc/90/36/62/561903662.db2.gz KVQKZPOIFZVYQW-SANMLTNESA-N -1 0 514.582 5.176 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)c2nnn[n-]2)cc1 ZINC000028130735 561905618 /nfs/dbraw/zinc/90/56/18/561905618.db2.gz XXHKZJJTXXVUAO-NDEPHWFRSA-N -1 0 588.734 5.563 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3ccccc3OC(C)(C)C(=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 ZINC000028130460 561905692 /nfs/dbraw/zinc/90/56/92/561905692.db2.gz SGUDWIZALUVLKT-UHFFFAOYSA-N -1 0 541.522 6.378 1 0 KKAFRM CCC[C@@H](Oc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(=O)[O-] ZINC000028133467 561906165 /nfs/dbraw/zinc/90/61/65/561906165.db2.gz UNNWWBCMUJHNAH-HHHXNRCGSA-N -1 0 555.549 6.768 1 0 KKAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](CCCCNC(=O)OCc4ccccc4)C(=O)[O-])CCCC3)cc2)c1 ZINC000028218477 561907079 /nfs/dbraw/zinc/90/70/79/561907079.db2.gz DHHPTHXAIIQLOJ-WJOKGBTCSA-N -1 0 629.754 5.842 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028226790 561908180 /nfs/dbraw/zinc/90/81/80/561908180.db2.gz SJEDBXQOLCNVJP-RYSBZKOCSA-N -1 0 740.838 6.287 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1Cc1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1Cc1ccccc1 ZINC000028244733 561910703 /nfs/dbraw/zinc/91/07/03/561910703.db2.gz QOIUVXYKSPVXQD-NSOVKSMOSA-N -1 0 725.547 7.363 1 0 KKAFRM CC(C)C[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028334386 561913126 /nfs/dbraw/zinc/91/31/26/561913126.db2.gz UTLXWZDTYYCZOK-KOBAOQNKSA-N -1 0 569.871 7.765 1 0 KKAFRM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000028342395 561914319 /nfs/dbraw/zinc/91/43/19/561914319.db2.gz XPJQCKZMLAPANY-PMACEKPBSA-N -1 0 580.300 5.272 1 0 KKAFRM CC(C)CN(C(=O)C1CCCCC1)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028346422 561914915 /nfs/dbraw/zinc/91/49/15/561914915.db2.gz FZQOZKVAFGCHRB-HHHXNRCGSA-N -1 0 595.567 8.226 1 0 KKAFRM CCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352468 561915691 /nfs/dbraw/zinc/91/56/91/561915691.db2.gz FXNGYKSGVMSVJB-DEOSSOPVSA-N -1 0 613.582 8.090 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352541 561915821 /nfs/dbraw/zinc/91/58/21/561915821.db2.gz WEJSUWDWHXERKS-DEOSSOPVSA-N -1 0 569.529 7.692 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCC(=O)[O-])c2)cc1 ZINC000028363027 561917213 /nfs/dbraw/zinc/91/72/13/561917213.db2.gz PXUJKWQRDCMLNY-UHFFFAOYSA-N -1 0 546.645 5.829 1 0 KKAFRM CC(C)c1cc(-c2cccc(Br)c2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000028364938 561917281 /nfs/dbraw/zinc/91/72/81/561917281.db2.gz MDIHVFPXTQKIHF-LLZSMSLNSA-N -1 0 516.407 5.904 1 0 KKAFRM COc1ccc(Cc2sc3ccccc3c2-c2ccc(-c3ccc(O[C@H](Cc4ccccc4)C(=O)[O-])cc3)cc2)cc1OC ZINC000028467031 561926311 /nfs/dbraw/zinc/92/63/11/561926311.db2.gz HQVKTDGYKXAHDS-UUWRZZSWSA-N -1 0 600.736 8.918 1 0 KKAFRM CCCc1cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)ccc1O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000028474036 561927493 /nfs/dbraw/zinc/92/74/93/561927493.db2.gz LOSOXMZJXJDUSG-QNGWXLTQSA-N -1 0 566.697 9.385 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2nc(C3CCCCCCCCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000028528036 561932622 /nfs/dbraw/zinc/93/26/22/561932622.db2.gz VWBAQTYDRNIYOF-UHFFFAOYSA-N -1 0 559.795 8.898 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3ccc(Oc4cc(Cl)c[nH]4)cc3c(Oc3cccc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528082 561932768 /nfs/dbraw/zinc/93/27/68/561932768.db2.gz UVCGQEKYMUYURA-UHFFFAOYSA-N -1 0 568.979 9.211 1 0 KKAFRM O=C([O-])C1=C(C(=O)Nc2cc(Br)c(OCc3c(F)cccc3Cl)c(Br)c2)CCC1 ZINC000028525699 561931486 /nfs/dbraw/zinc/93/14/86/561931486.db2.gz GCFDRIDFVKBEMX-UHFFFAOYSA-N -1 0 547.602 6.087 1 0 KKAFRM COc1c2c(C)c(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1Br ZINC000028528767 561933275 /nfs/dbraw/zinc/93/32/75/561933275.db2.gz HHHAELOQIYTSIY-XMMPIXPASA-N -1 0 615.502 5.819 1 0 KKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21 ZINC000028565417 561936216 /nfs/dbraw/zinc/93/62/16/561936216.db2.gz BVFHNBILEFPJHJ-CLJLJLNGSA-N -1 0 511.618 7.088 1 0 KKAFRM Cc1c(CCC(=O)NCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028566461 561936409 /nfs/dbraw/zinc/93/64/09/561936409.db2.gz GZGOCQSUOUYMTB-UHFFFAOYSA-N -1 0 537.059 7.188 1 0 KKAFRM O=C([O-])c1ccc(OC[C@H](O)Cc2cn(C(c3ccccc3)c3ccccc3)c3cc(Cl)ccc23)cc1 ZINC000028567522 561936631 /nfs/dbraw/zinc/93/66/31/561936631.db2.gz GIRRXIJFICRZIJ-AREMUKBSSA-N -1 0 512.005 6.613 1 0 KKAFRM Cc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Br)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028567237 561936644 /nfs/dbraw/zinc/93/66/44/561936644.db2.gz VTKQMYBNXZEBGS-UHFFFAOYSA-N -1 0 540.457 7.670 1 0 KKAFRM CC[C@@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028567825 561936993 /nfs/dbraw/zinc/93/69/93/561936993.db2.gz FCJIZDBDUYVVGN-IFMALSPDSA-N -1 0 541.488 7.450 1 0 KKAFRM CC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(C(F)(F)F)N1 ZINC000028568403 561937222 /nfs/dbraw/zinc/93/72/22/561937222.db2.gz CVCCPDLNTOSRRP-VWLOTQADSA-N -1 0 555.980 6.967 1 0 KKAFRM C=C1N=C(C)C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1C(=O)OCCC(c1ccccc1)c1ccccc1 ZINC000028568279 561937239 /nfs/dbraw/zinc/93/72/39/561937239.db2.gz OJSOLYAYFTWUPT-SYWZTQOGSA-N -1 0 502.010 7.265 1 0 KKAFRM CC1=C(C(=O)[O-])[C@@H](c2cccc(Cl)c2)C(C(=O)OCCC(c2ccccc2)c2ccccc2)=C(C(F)(F)F)N1 ZINC000028568402 561937266 /nfs/dbraw/zinc/93/72/66/561937266.db2.gz CVCCPDLNTOSRRP-RUZDIDTESA-N -1 0 555.980 6.967 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000028570256 561938622 /nfs/dbraw/zinc/93/86/22/561938622.db2.gz DSDBOLCIKZMYGE-XCKMVBSPSA-N -1 0 530.746 5.748 1 0 KKAFRM Cc1ccc(C(Oc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c2ccc(C)cc2)cc1 ZINC000028571698 561939528 /nfs/dbraw/zinc/93/95/28/561939528.db2.gz HJMQWRCMSAEVJK-UHFFFAOYSA-N -1 0 530.668 8.692 1 0 KKAFRM CN1c2ccc(N3CCOCC3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708878 561950545 /nfs/dbraw/zinc/95/05/45/561950545.db2.gz DSAIQLIDGWVPPY-UHFFFAOYSA-N -1 0 523.677 6.821 1 0 KKAFRM CCCCNS(=O)(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708844 561950570 /nfs/dbraw/zinc/95/05/70/561950570.db2.gz DGXKKIIOHSKWHR-UHFFFAOYSA-N -1 0 573.759 7.063 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Br)c(Br)c2)cc1 ZINC000028650373 561945899 /nfs/dbraw/zinc/94/58/99/561945899.db2.gz QEPXZBPJIPFLAZ-OALUTQOASA-N -1 0 649.311 6.114 1 0 KKAFRM C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2Br)C(=O)[O-] ZINC000028652952 561946127 /nfs/dbraw/zinc/94/61/27/561946127.db2.gz WQAMYBHLKLHBNJ-IZKCBNJNSA-N -1 0 707.622 5.262 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C23CC4CC(CC(C4)C2)C3)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655777 561946672 /nfs/dbraw/zinc/94/66/72/561946672.db2.gz ZJQCLCIESPIJML-UHFFFAOYSA-N -1 0 570.690 5.801 1 0 KKAFRM CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000028705147 561948900 /nfs/dbraw/zinc/94/89/00/561948900.db2.gz IGHDGSYPBBTGNR-UHFFFAOYSA-N -1 0 570.502 6.292 1 0 KKAFRM CC(C)(C)c1ccc(N(CC(F)(F)F)C(=O)CCC(=O)Nc2ccc(-c3ccc(OCC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000028705165 561948946 /nfs/dbraw/zinc/94/89/46/561948946.db2.gz XCCFJHCFVPDUFR-UHFFFAOYSA-N -1 0 625.471 7.736 1 0 KKAFRM CCN(C(=O)OCC(=O)Nc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705197 561948953 /nfs/dbraw/zinc/94/89/53/561948953.db2.gz IXDZEGQXUKHHES-UHFFFAOYSA-N -1 0 557.474 7.187 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1cccc(F)c1)c1ccccc21 ZINC000028707176 561949962 /nfs/dbraw/zinc/94/99/62/561949962.db2.gz NKZMCLGKDPHJJY-CLJLJLNGSA-N -1 0 588.651 6.050 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1c(Br)cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1Br ZINC000028758911 561957500 /nfs/dbraw/zinc/95/75/00/561957500.db2.gz JSVZERXVTQQPLV-XIFFEERXSA-N -1 0 682.408 9.957 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccc(F)cc3)cc2)cc1 ZINC000028757578 561956885 /nfs/dbraw/zinc/95/68/85/561956885.db2.gz IMQBGSILNRDJIN-JGCGQSQUSA-N -1 0 558.674 9.040 1 0 KKAFRM Cc1ccc2oc(Cc3ccccc3)c(-c3ccc(-c4ccc(O[C@H](Cc5ccccc5)C(=O)[O-])cc4)cc3)c2c1 ZINC000028757666 561956932 /nfs/dbraw/zinc/95/69/32/561956932.db2.gz IKTVCARCSZSWIW-PGUFJCEWSA-N -1 0 538.643 8.741 1 0 KKAFRM O=C([O-])CCNc1cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)ccc1OCCc1ccccc1 ZINC000028757915 561957145 /nfs/dbraw/zinc/95/71/45/561957145.db2.gz RYWPCDXFHJREIE-UHFFFAOYSA-N -1 0 567.685 8.866 1 0 KKAFRM COc1cccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc54)cc3)cc(Br)c2OCC(=O)[O-])c1 ZINC000028758385 561957269 /nfs/dbraw/zinc/95/72/69/561957269.db2.gz HQALDKFFRYFTKP-UHFFFAOYSA-N -1 0 635.579 9.728 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNC(=O)CC(C)(C)C)c1C ZINC000028760155 561957846 /nfs/dbraw/zinc/95/78/46/561957846.db2.gz GBHZRMWZYDRRRK-UHFFFAOYSA-N -1 0 522.627 5.467 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761507 561958072 /nfs/dbraw/zinc/95/80/72/561958072.db2.gz UTSFQPTVPZNJJH-WDYNHAJCSA-N -1 0 548.664 5.574 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CC1CCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761327 561958095 /nfs/dbraw/zinc/95/80/95/561958095.db2.gz JSOUFOXMENBKFM-UIOOFZCWSA-N -1 0 512.631 5.131 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028762573 561958471 /nfs/dbraw/zinc/95/84/71/561958471.db2.gz SMXPIECMTBWEDK-FTJBHMTQSA-N -1 0 514.647 5.377 1 0 KKAFRM COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])cc(C)oc1=O ZINC000028820915 561966048 /nfs/dbraw/zinc/96/60/48/561966048.db2.gz JIAJGRUVTSNTEM-MHZLTWQESA-N -1 0 588.454 6.486 1 0 KKAFRM CNC(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824097 561968813 /nfs/dbraw/zinc/96/88/13/561968813.db2.gz GLCXHEQYPMKZNS-UHFFFAOYSA-N -1 0 510.638 6.736 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824154 561969211 /nfs/dbraw/zinc/96/92/11/561969211.db2.gz JPJVQVRLRJICIF-UHFFFAOYSA-N -1 0 611.739 7.924 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(OC(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825470 561970766 /nfs/dbraw/zinc/97/07/66/561970766.db2.gz PMPUQJLQCPEQEM-UHFFFAOYSA-N -1 0 517.500 6.166 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(-c3ccccc3)c(C3CCCCC3)nc2c1 ZINC000028879966 561976682 /nfs/dbraw/zinc/97/66/82/561976682.db2.gz FEEJKNLZICAQIW-NDEPHWFRSA-N -1 0 518.617 6.252 1 0 KKAFRM Cc1ccc(-c2nc3ccc(C(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])cc3nc2-c2ccc(C)cc2)cc1 ZINC000028879836 561976524 /nfs/dbraw/zinc/97/65/24/561976524.db2.gz BJLVAGLETCAXPN-PMERELPUSA-N -1 0 556.622 6.193 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]2C1 ZINC000028877251 561975872 /nfs/dbraw/zinc/97/58/72/561975872.db2.gz LVPTWBCSDJITDR-PRKKRGOPSA-N -1 0 712.844 6.432 1 0 KKAFRM COc1cccc(-c2nc3ccc(C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])cc3nc2-c2cccc(OC)c2)c1 ZINC000028879436 561976262 /nfs/dbraw/zinc/97/62/62/561976262.db2.gz WWMDEUYNMCCPCE-PMERELPUSA-N -1 0 572.621 5.888 1 0 KKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc2OCC1 ZINC000028894124 561978772 /nfs/dbraw/zinc/97/87/72/561978772.db2.gz NLMKZPVITPSVKD-UHFFFAOYSA-N -1 0 635.761 6.989 1 0 KKAFRM CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000028897181 561979237 /nfs/dbraw/zinc/97/92/37/561979237.db2.gz HWQGGIXQSUAZLL-UHFFFAOYSA-N -1 0 645.803 6.492 1 0 KKAFRM COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)[O-])CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962476 561984522 /nfs/dbraw/zinc/98/45/22/561984522.db2.gz ZHFPIMSXEZPRLC-PMERELPUSA-N -1 0 548.998 6.124 1 0 KKAFRM COCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972139 561985990 /nfs/dbraw/zinc/98/59/90/561985990.db2.gz SWOPRZXVWFJBNG-SFHVURJKSA-N -1 0 512.550 5.188 1 0 KKAFRM CC(C)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972116 561986021 /nfs/dbraw/zinc/98/60/21/561986021.db2.gz OZOLMCRNOXGXAX-LJQANCHMSA-N -1 0 510.578 6.198 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(-c2ccccc2)c1 ZINC000028973977 561986284 /nfs/dbraw/zinc/98/62/84/561986284.db2.gz LGYCFRCRBVRZAL-XRKRLSELSA-N -1 0 550.636 5.268 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(CCc2ccccc2)c1 ZINC000028974016 561986296 /nfs/dbraw/zinc/98/62/96/561986296.db2.gz LQTXZPNLURATTD-IGYGKHONSA-N -1 0 578.690 5.387 1 0 KKAFRM Cc1cc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c3cccc4C(F)(F)F)c2)c(C)cc1CC(=O)[O-] ZINC000028978841 561988040 /nfs/dbraw/zinc/98/80/40/561988040.db2.gz NVCNWULYEHGNKG-UHFFFAOYSA-N -1 0 555.596 8.334 1 0 KKAFRM O=C([O-])Cc1cccc2c(OCc3cccc(-c4c(Cc5ccccc5)cnc5c4cccc5C(F)(F)F)c3)cccc12 ZINC000028978883 561988045 /nfs/dbraw/zinc/98/80/45/561988045.db2.gz BHKSYENPDNOBLX-UHFFFAOYSA-N -1 0 577.602 8.871 1 0 KKAFRM O=C([O-])c1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c4cccc5C(F)(F)F)c3)cccc12 ZINC000028978895 561988059 /nfs/dbraw/zinc/98/80/59/561988059.db2.gz KJPPQVNZYDPQRM-UHFFFAOYSA-N -1 0 562.591 8.975 1 0 KKAFRM COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@H]21 ZINC000029041905 561991374 /nfs/dbraw/zinc/99/13/74/561991374.db2.gz VVMGZVYQOSAGQE-LWNNOHHKSA-N -1 0 530.746 6.815 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)OCC(C)C)CC[C@@H]2CC(=O)[O-])c1 ZINC000029045542 561992527 /nfs/dbraw/zinc/99/25/27/561992527.db2.gz IMJNPIXMADXNLJ-AOYPEHQESA-N -1 0 520.626 5.944 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCCC(=O)Nc2cccc3ccccc32)nn1 ZINC000029049322 561994033 /nfs/dbraw/zinc/99/40/33/561994033.db2.gz RSPKMGDZBNPGGF-UHFFFAOYSA-N -1 0 532.556 6.334 1 0 KKAFRM CCc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCC(=O)c2ccc(OC)cc2)[n-]c1=O ZINC000029057996 561995347 /nfs/dbraw/zinc/99/53/47/561995347.db2.gz 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AACZCKZTUMTPKO-UHFFFAOYSA-N -1 0 578.644 6.199 1 0 KKAFRM Cc1c(C)c(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCc2ccncc2)ccc1OCC(=O)[O-] ZINC000042807442 562090213 /nfs/dbraw/zinc/09/02/13/562090213.db2.gz QOVRZVRUKFJQMJ-UHFFFAOYSA-N -1 0 569.601 7.490 1 0 KKAFRM O=C([O-])[C@@H]1CC=C2CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)C1)[C@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000103524888 560051256 /nfs/dbraw/zinc/05/12/56/560051256.db2.gz SKQMUOMLUSIGOF-NRWOMEDOSA-N -1 0 512.734 8.553 1 0 biogenic,in-vitro KKAFRM COc1ccc(-c2cc(=O)c3cc(O)c(-c4c([O-])c5c(=O)cc(OC)cc-5oc4-c4ccc(OC)cc4)c(OC)c3o2)cc1 ZINC000095918756 560054425 /nfs/dbraw/zinc/05/44/25/560054425.db2.gz OJNWGSSJVRDSGL-UHFFFAOYSA-N -1 0 594.572 6.346 1 0 biogenic,in-vitro KKAFRM CC(C)Cc1cc(-c2oc3cc([O-])c4c(c3c(=O)c2O)O[C@@H](CCO)CC4)cc(Cc2cccc(O)c2)c1O ZINC000085569383 560069906 /nfs/dbraw/zinc/06/99/06/560069906.db2.gz SKRCENKNFREHIM-JOCHJYFZSA-N -1 0 532.589 5.148 1 0 biogenic,in-vitro KKAFRM 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6.707 1 0 biogenic,in-vitro KKAFRM CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)[O-])CC[C@]2(C)CC[C@]31C ZINC000004165687 560197207 /nfs/dbraw/zinc/19/72/07/560197207.db2.gz MAAVNXPPBHQXNL-JFIQKXBLSA-N -1 0 552.708 6.295 1 0 in-vitro KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175673 560197391 /nfs/dbraw/zinc/19/73/91/560197391.db2.gz BBMULGJBVDDDNI-QPARRAJLSA-N -1 0 590.798 5.842 1 0 in-vitro KKAFRM O=C([O-])CCN1CCc2c(c3c(cccc3F)n2Cc2cccc(/C=C/c3ccc4cc(F)c(F)cc4n3)c2)C1 ZINC000043059258 562645133 /nfs/dbraw/zinc/64/51/33/562645133.db2.gz XHBCJHHCLXBLOP-VQHVLOKHSA-N -1 0 541.573 6.658 1 0 KKAFRM CSc1nccc(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3sccc3-c3nc4ccccc4s3)s2)n1 ZINC000043061609 562645184 /nfs/dbraw/zinc/64/51/84/562645184.db2.gz KZMOUTZWACZZNE-UHFFFAOYSA-N -1 0 566.758 5.232 1 0 KKAFRM Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(C(=O)[O-])CCC2)c1 ZINC000043078296 562645746 /nfs/dbraw/zinc/64/57/46/562645746.db2.gz NEIOEHYODVHBBU-UHFFFAOYSA-N -1 0 557.952 7.167 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CCc1nc2cccc(Nc3cccc(C(=O)[O-])c3)c2o1 ZINC000043079509 562645823 /nfs/dbraw/zinc/64/58/23/562645823.db2.gz NIJIXTNBQUWRSU-UHFFFAOYSA-N -1 0 536.415 8.140 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ncccc4NC(=O)C3)CCCC2)cc1 ZINC000043104819 562646023 /nfs/dbraw/zinc/64/60/23/562646023.db2.gz JEPWKAPNFNIAPK-SFQUDFHCSA-N -1 0 631.733 6.482 1 0 KKAFRM O=C([O-])C[C@H]1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043123193 562646238 /nfs/dbraw/zinc/64/62/38/562646238.db2.gz NHGLOTPMMQNRGG-SYZXBLONSA-N -1 0 507.033 7.641 1 0 KKAFRM O=C([O-])C1(NC(=O)c2cc(F)c3ccccc3c2OCc2ccc(SC(F)(F)F)cc2)CCOCC1 ZINC000043178771 562646711 /nfs/dbraw/zinc/64/67/11/562646711.db2.gz LZZCGOLLRHCWBK-UHFFFAOYSA-N -1 0 523.504 5.533 1 0 KKAFRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1 ZINC000043524375 562649050 /nfs/dbraw/zinc/64/90/50/562649050.db2.gz MPWFFQJJNUOJHK-NRFANRHFSA-N -1 0 566.676 5.355 1 0 KKAFRM C[C@H](C(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000043628171 562650357 /nfs/dbraw/zinc/65/03/57/562650357.db2.gz OPPNSMHXPFHBDT-JATFKWJPSA-N -1 0 594.793 5.838 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](/N=C/c6ccc(F)c(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043845782 562651004 /nfs/dbraw/zinc/65/10/04/562651004.db2.gz PKMKSKJNMXBRRG-URNUCLNKSA-N -1 0 581.832 9.574 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](/N=C/c6ccc(F)c(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043845784 562651020 /nfs/dbraw/zinc/65/10/20/562651020.db2.gz PKMKSKJNMXBRRG-MEPQYOIJSA-N -1 0 581.832 9.574 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044053009 562651902 /nfs/dbraw/zinc/65/19/02/562651902.db2.gz PVJHCINJAHGBJW-CHDKBHGASA-N -1 0 588.679 9.044 1 0 KKAFRM CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@](C)(CCC(=O)[O-])[C@@H](C(C)(C)O)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]32C)CO1 ZINC000044281606 562653209 /nfs/dbraw/zinc/65/32/09/562653209.db2.gz DDEKDHXQVXNARU-JGAASLSSSA-N -1 0 588.826 6.317 1 0 KKAFRM CCCC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000044305575 562653515 /nfs/dbraw/zinc/65/35/15/562653515.db2.gz KXIFYPWJPYSMIY-SBFMVFAKSA-N -1 0 540.785 7.764 1 0 KKAFRM COC(=O)CC[C@]1(COC(C)=O)C2=CC[C@]3(C)[C@@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)[O-])OC(C)=O)CC[C@@]3(C)C2=CC[C@H]1C(C)(C)O ZINC000044306008 562653649 /nfs/dbraw/zinc/65/36/49/562653649.db2.gz IQKAWHUEZWYQHM-SGTCUYSDSA-N -1 0 616.792 5.948 1 0 KKAFRM CC[C@H](C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000044306968 562653900 /nfs/dbraw/zinc/65/39/00/562653900.db2.gz WVLBJJGQOYFFGO-YSVLRDGBSA-N -1 0 570.811 7.139 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCCCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000044308145 562654202 /nfs/dbraw/zinc/65/42/02/562654202.db2.gz GSDAWSOZZDGTJJ-NVROOQTQSA-N -1 0 585.870 6.881 1 0 KKAFRM CC(C)(CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C)C(=O)[O-] ZINC000044351371 562654652 /nfs/dbraw/zinc/65/46/52/562654652.db2.gz NZUPOWIVCPHOCT-PPHFNVEESA-N -1 0 588.870 7.793 1 0 KKAFRM CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)C[C@@H]1CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)[O-])[C@@H](O)CC[C@]2(C)[C@@H]31 ZINC000044351949 562654961 /nfs/dbraw/zinc/65/49/61/562654961.db2.gz MZNVFBWGMTXXDI-RDUGODHGSA-N -1 0 557.819 8.830 1 0 KKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2cc(C(=O)c3ccncc3)ccc21 ZINC000044352081 562654973 /nfs/dbraw/zinc/65/49/73/562654973.db2.gz ASRAVNHIRAGAPY-UHFFFAOYSA-N -1 0 550.655 7.084 1 0 KKAFRM Cc1cc(NC(=O)Nc2ccccc2Cl)c(Cl)cc1CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(C(=O)[O-])cc1 ZINC000044352319 562655096 /nfs/dbraw/zinc/65/50/96/562655096.db2.gz IIABHYNBTSJROG-PMACEKPBSA-N -1 0 574.436 6.205 1 0 KKAFRM CCC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000044352379 562655126 /nfs/dbraw/zinc/65/51/26/562655126.db2.gz IZCJSSWQLDQMIN-WDXTXLKTSA-N -1 0 526.758 7.374 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1)C(=O)[O-] ZINC000044359798 562655515 /nfs/dbraw/zinc/65/55/15/562655515.db2.gz LWHZXDYTGUIQFY-INIZCTEOSA-N -1 0 575.959 7.272 1 0 KKAFRM [O-]c1cc(Br)c(Br)c(Br)c1Oc1c(O)cc(Br)cc1Br ZINC000044388409 562656348 /nfs/dbraw/zinc/65/63/48/562656348.db2.gz CMVKVDYOAXWOGA-UHFFFAOYSA-N -1 0 596.689 6.703 1 0 KKAFRM COc1ccccc1-c1csc(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2ccc(SC(F)(F)F)cc2)n1 ZINC000044417066 562657014 /nfs/dbraw/zinc/65/70/14/562657014.db2.gz SWIHUIGRFYPTCP-UHFFFAOYSA-N -1 0 587.645 6.973 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-] ZINC000044417519 562657159 /nfs/dbraw/zinc/65/71/59/562657159.db2.gz GKZSILIAFXNPRA-GHQZQFNUSA-N -1 0 514.747 6.631 1 0 KKAFRM CC[C@@H](OCc1ccccc1)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC000044430390 562657487 /nfs/dbraw/zinc/65/74/87/562657487.db2.gz BEYABHAZRRWMOS-DGPALRBDSA-N -1 0 553.659 6.587 1 0 KKAFRM O=C([O-])CCc1ccc(OCc2ccc(C[C@@H](CCc3ccccn3)c3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000044430371 562657491 /nfs/dbraw/zinc/65/74/91/562657491.db2.gz KUWSLGKTURXEPB-GDLZYMKVSA-N -1 0 548.708 7.760 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C(=O)[O-])C2CCC3(CC2)OCCO3)c(C)c1 ZINC000044430698 562657632 /nfs/dbraw/zinc/65/76/32/562657632.db2.gz PXLOSBDARKDVEX-HHHXNRCGSA-N -1 0 545.636 5.525 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6sc(N)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000045301486 562660508 /nfs/dbraw/zinc/66/05/08/562660508.db2.gz KRVCHLIPXSYGHJ-KNVGJEHWSA-N -1 0 510.788 7.625 1 0 KKAFRM COc1ccc([C@H](CC(C)C)NC(=O)c2cc(COc3ccccc3)ccc2CCC(=O)[O-])cc1OC ZINC000045356786 562661917 /nfs/dbraw/zinc/66/19/17/562661917.db2.gz MOTOKILOGAVSPV-SANMLTNESA-N -1 0 505.611 5.817 1 0 KKAFRM Cc1ccnc(NCc2cccc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)c2)c1 ZINC000045364735 562662039 /nfs/dbraw/zinc/66/20/39/562662039.db2.gz ZRRDVEJNFGIFLZ-NDEPHWFRSA-N -1 0 507.634 6.020 1 0 KKAFRM CCCc1nc2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000045373986 562662268 /nfs/dbraw/zinc/66/22/68/562662268.db2.gz JNILOFBNNHPODI-LJAQVGFWSA-N -1 0 531.656 7.283 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3cc(F)cc(F)c3)ccc2CCC(=O)[O-])c1 ZINC000045374206 562662343 /nfs/dbraw/zinc/66/23/43/562662343.db2.gz XQYOJCNMIBBAEQ-MUUNZHRXSA-N -1 0 509.593 6.695 1 0 KKAFRM Cc1oc(-c2ccccc2Cl)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049072701 562664184 /nfs/dbraw/zinc/66/41/84/562664184.db2.gz CBAMKUWAFADTHH-UHFFFAOYSA-N -1 0 520.969 6.276 1 0 KKAFRM CCCCOc1ccc(-c2cccc(C(=O)[O-])c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049109574 562664531 /nfs/dbraw/zinc/66/45/31/562664531.db2.gz ZQMRWLOZDCPEGS-UHFFFAOYSA-N -1 0 503.492 6.627 1 0 KKAFRM CC[C@@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000049605930 562666434 /nfs/dbraw/zinc/66/64/34/562666434.db2.gz CSMUMGBDUUSWKP-ZCYQVOJMSA-N -1 0 643.274 9.365 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000049709268 562671308 /nfs/dbraw/zinc/67/13/08/562671308.db2.gz URBDIYADQFVBLP-GDLZYMKVSA-N -1 0 533.584 5.425 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000049772260 562678557 /nfs/dbraw/zinc/67/85/57/562678557.db2.gz JDJRTNDFULUKQJ-UHFFFAOYSA-N -1 0 715.218 8.192 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049774630 562678665 /nfs/dbraw/zinc/67/86/65/562678665.db2.gz DNHZIQUHIDDATB-UHFFFAOYSA-N -1 0 558.509 6.440 1 0 KKAFRM Cc1cn(Cc2ccc(F)c(F)c2)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)no1 ZINC000049775057 562678872 /nfs/dbraw/zinc/67/88/72/562678872.db2.gz VDLWBLVYGLGZJT-UHFFFAOYSA-N -1 0 533.478 6.149 1 0 KKAFRM COc1c(Br)c(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1[O-] ZINC000049776261 562679302 /nfs/dbraw/zinc/67/93/02/562679302.db2.gz DXFJHCHPUKLLGC-UHFFFAOYSA-N -1 0 610.716 7.006 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000049776337 562679348 /nfs/dbraw/zinc/67/93/48/562679348.db2.gz ZHHDCBLVPXBKBS-UHFFFAOYSA-N -1 0 713.683 8.568 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3cccs3)n4C3CCCCC3)CCC2)cc1 ZINC000049777740 562680483 /nfs/dbraw/zinc/68/04/83/562680483.db2.gz UCFATWBELRLLLZ-LFIBNONCSA-N -1 0 568.699 6.659 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049778048 562680825 /nfs/dbraw/zinc/68/08/25/562680825.db2.gz BONJIRURBUJMTG-UHFFFAOYSA-N -1 0 599.627 8.048 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCOCC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000049780031 562681276 /nfs/dbraw/zinc/68/12/76/562681276.db2.gz MSIXHHQWTQNSCX-UHFFFAOYSA-N -1 0 668.165 8.418 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(Cn3cccn3)cc2OCCc2ccc3ccccc3c2)cc1Cl ZINC000049780626 562682015 /nfs/dbraw/zinc/68/20/15/562682015.db2.gz NHYQFTFAZLIILG-UHFFFAOYSA-N -1 0 588.129 6.106 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC000049780969 562682504 /nfs/dbraw/zinc/68/25/04/562682504.db2.gz IYTYFFFPCZGGAT-UHFFFAOYSA-N -1 0 620.694 5.729 1 0 KKAFRM CCCc1cnc(N2CCC(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)(c3cccc(OC)c3)CC2)nc1 ZINC000049780971 562682533 /nfs/dbraw/zinc/68/25/33/562682533.db2.gz IQWFXBLWVWKDMF-UHFFFAOYSA-N -1 0 594.778 5.663 1 0 KKAFRM Cc1cccc(Nc2cc(Cl)nc(S[C@@H](C(=O)[O-])c3ccc(-c4ccccc4)c4ccccc43)n2)c1C ZINC000049781379 562683035 /nfs/dbraw/zinc/68/30/35/562683035.db2.gz HSUVSHFOIBHSHP-MUUNZHRXSA-N -1 0 526.061 8.229 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049781380 562683042 /nfs/dbraw/zinc/68/30/42/562683042.db2.gz FFMXUNLIUHLEMS-JLHYYAGUSA-N -1 0 587.431 6.304 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049781386 562683047 /nfs/dbraw/zinc/68/30/47/562683047.db2.gz RZWWSHIRKIGVTP-ZHACJKMWSA-N -1 0 593.460 6.365 1 0 KKAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 ZINC000049784062 562683405 /nfs/dbraw/zinc/68/34/05/562683405.db2.gz PDAWGEUNLGZMEW-HZHHUVPKSA-N -1 0 570.670 5.693 1 0 KKAFRM CO[C@H]1CC2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n3[C@@H]2c2cccc(F)c2)c2ccccc21 ZINC000049784400 562683571 /nfs/dbraw/zinc/68/35/71/562683571.db2.gz PPUYQISPVMXQHC-KYLRXDFDSA-N -1 0 578.621 5.561 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049784856 562683807 /nfs/dbraw/zinc/68/38/07/562683807.db2.gz KFZLGIUUXIFPQJ-BUHFOSPRSA-N -1 0 552.986 5.650 1 0 KKAFRM COc1ccc(-c2nc(SCCOc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000049785590 562684044 /nfs/dbraw/zinc/68/40/44/562684044.db2.gz AXNJWHYVWXFMPK-UHFFFAOYSA-N -1 0 537.659 6.437 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cccc3ccccc32)cc1 ZINC000049785627 562684050 /nfs/dbraw/zinc/68/40/50/562684050.db2.gz YGJIZLUQVPBHKD-UHFFFAOYSA-N -1 0 511.599 6.990 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000049785898 562684162 /nfs/dbraw/zinc/68/41/62/562684162.db2.gz KIXWLNQYVKDCLT-UHFFFAOYSA-N -1 0 600.286 7.602 1 0 KKAFRM CC(=O)O[C@H]1[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]34C)[C@]2(C)CO)OC[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000049823188 562687074 /nfs/dbraw/zinc/68/70/74/562687074.db2.gz ADJGVADBICKKNW-DSLSCRDMSA-N -1 0 730.936 6.382 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CSc2ccccc2)cc1 ZINC000049841447 562688391 /nfs/dbraw/zinc/68/83/91/562688391.db2.gz JUMPZQXIDXLIHI-UHFFFAOYSA-N -1 0 711.305 8.464 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)C[C@H](c1c[nH]c2ccc(Br)cc21)c1ccc(C(F)(F)F)cc1 ZINC000049852117 562688769 /nfs/dbraw/zinc/68/87/69/562688769.db2.gz ITCXJXPXCOIRGX-HOFKKMOUSA-N -1 0 631.445 6.338 1 0 KKAFRM O=C([O-])[C@H]1CCCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)C1 ZINC000049878205 562690458 /nfs/dbraw/zinc/69/04/58/562690458.db2.gz BKTFKTNMAUVMID-NSHDSACASA-N -1 0 528.915 5.570 1 0 KKAFRM C[C@H](C(=O)[O-])[C@@H](O)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c6cc7c(cc6[nH]c5[C@]4(C)[C@@]3(C)CC[C@]2(O)O1)C[C@H]1C7=CC(C)(C)OC1(C)C ZINC000049889077 562691756 /nfs/dbraw/zinc/69/17/56/562691756.db2.gz BVXANUMPSJDELO-WOYQAOQOSA-N -1 0 617.827 6.517 1 0 KKAFRM O=C([O-])COc1ccc(Cc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049889280 562691939 /nfs/dbraw/zinc/69/19/39/562691939.db2.gz RBERAMDXODUGQT-UHFFFAOYSA-N -1 0 679.238 7.649 1 0 KKAFRM CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccsc3C(=O)[O-])cc2C(=O)Nc2ccc(C(N)=[NH2+])cc2)c(C(=O)[O-])c1 ZINC000049889531 562692192 /nfs/dbraw/zinc/69/21/92/562692192.db2.gz HDONSMHRHAXQRM-UHFFFAOYSA-N -1 0 584.654 5.401 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O ZINC000049898250 562692389 /nfs/dbraw/zinc/69/23/89/562692389.db2.gz WSWPNGAODCKAHB-IFRVZBAOSA-N -1 0 634.854 7.147 1 0 KKAFRM Cc1ccccc1CS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898624 562692722 /nfs/dbraw/zinc/69/27/22/562692722.db2.gz HYUFSRHVBMKCNP-UHFFFAOYSA-N -1 0 691.293 8.776 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049898802 562692877 /nfs/dbraw/zinc/69/28/77/562692877.db2.gz MJWNCARJMXLNBF-JLTAZCJQSA-N -1 0 661.924 8.093 1 0 KKAFRM C[C@H](C(=O)[O-])N(C)C(=O)Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000049918219 562694630 /nfs/dbraw/zinc/69/46/30/562694630.db2.gz KJERMCGZUOOLBP-XZOQPEGZSA-N -1 0 640.205 7.495 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1)N1CCc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1 ZINC000049918360 562694684 /nfs/dbraw/zinc/69/46/84/562694684.db2.gz DDJXKQZPZJZTCI-UHFFFAOYSA-N -1 0 683.077 6.409 1 0 KKAFRM CN(C)C(=O)Nc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000049938126 562695091 /nfs/dbraw/zinc/69/50/91/562695091.db2.gz GGCIRHBWBZUBDJ-UHFFFAOYSA-N -1 0 641.143 9.039 1 0 KKAFRM CCCC[C@@H](C(=O)Nc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1)n1cc([C@@](C)(NC(=O)c2ccsc2)C2CCCCC2)nn1 ZINC000049942302 562695410 /nfs/dbraw/zinc/69/54/10/562695410.db2.gz KPCMBZIEVTUEFL-UBOZLPQGSA-N -1 0 633.771 5.977 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3ccc(Cl)cc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049942498 562695540 /nfs/dbraw/zinc/69/55/40/562695540.db2.gz URKBBYWJVDIPES-UHFFFAOYSA-N -1 0 679.238 7.914 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)c(F)s3)cc2Cl)CC1 ZINC000053230312 562696692 /nfs/dbraw/zinc/69/66/92/562696692.db2.gz WPHUOGQIPMUSNW-UHFFFAOYSA-N -1 0 546.905 5.709 1 0 KKAFRM CC(C)Cc1cc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)[O-])CC4)c(Cl)c3)sc2F)ccc1F ZINC000053294537 562697302 /nfs/dbraw/zinc/69/73/02/562697302.db2.gz BIQYWRPWWYQMLX-UHFFFAOYSA-N -1 0 535.016 5.889 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053296042 562697377 /nfs/dbraw/zinc/69/73/77/562697377.db2.gz GIXSYKRXZUIYOJ-QRVIBDJDSA-N -1 0 554.418 5.971 1 0 KKAFRM CCCC[C@@H](Sc1nc(OCCCCc2ccccc2)cc(OCCCCc2ccccc2)n1)C(=O)[O-] ZINC000053297734 562697459 /nfs/dbraw/zinc/69/74/59/562697459.db2.gz WIHMGIAQEOABFS-AREMUKBSSA-N -1 0 522.711 7.016 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053314190 562697645 /nfs/dbraw/zinc/69/76/45/562697645.db2.gz XSKCGRSXBXIREY-YUMHPJSZSA-N -1 0 525.582 6.362 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCCC(=O)[O-])cc3)C[C@@]21C ZINC000055760855 562697796 /nfs/dbraw/zinc/69/77/96/562697796.db2.gz MOMUOZHPMJSJOU-ONBGVYQJSA-N -1 0 557.775 7.202 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(OCc3ccc4ccc(C)cc4n3)ccc2OC1(C)C ZINC000058468562 562697938 /nfs/dbraw/zinc/69/79/38/562697938.db2.gz CVDSOAXGLZLWEL-SVBPBHIXSA-N -1 0 630.685 6.498 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(CNC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2)n1 ZINC000058506475 562698353 /nfs/dbraw/zinc/69/83/53/562698353.db2.gz XURONLXFEDEDTQ-XZOQPEGZSA-N -1 0 515.614 5.097 1 0 KKAFRM O=C([O-])c1c(-c2ccc3c(c2)OC=CO3)sc2c(C3CC3)c(Cc3cccc4ccccc43)cc(=O)n12 ZINC000058538142 562698777 /nfs/dbraw/zinc/69/87/77/562698777.db2.gz VLBNQGQNDPLSOL-UHFFFAOYSA-N -1 0 507.567 6.590 1 0 KKAFRM C[C@H](Oc1cccc(C(=O)[O-])c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058538400 562698824 /nfs/dbraw/zinc/69/88/24/562698824.db2.gz OYQTZOXIZXROCL-AWEZNQCLSA-N -1 0 593.385 8.357 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)C(=O)c2cccc(C(=O)[O-])c2)c(C(F)(F)F)n1 ZINC000058575875 562699643 /nfs/dbraw/zinc/69/96/43/562699643.db2.gz RSRLSXKQQSDZIS-UHFFFAOYSA-N -1 0 608.400 7.739 1 0 KKAFRM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H]2OCO[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000058590448 562700296 /nfs/dbraw/zinc/70/02/96/562700296.db2.gz UNVOKDLQUFKROH-LXLYTFERSA-N -1 0 695.600 5.856 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C ZINC000058655398 562701353 /nfs/dbraw/zinc/70/13/53/562701353.db2.gz SUDOZCYSAWMAFV-PMACEKPBSA-N -1 0 658.667 6.529 1 0 KKAFRM CC(C)CCN(Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000059275902 562701933 /nfs/dbraw/zinc/70/19/33/562701933.db2.gz RUKPAMAXIPDVLG-GDLZYMKVSA-N -1 0 579.625 9.658 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(OCc2cc(F)cc(F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000059260983 562701955 /nfs/dbraw/zinc/70/19/55/562701955.db2.gz RHTCSQQCFNRGMX-QFIPXVFZSA-N -1 0 512.902 8.097 1 0 KKAFRM O=C([O-])c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1 ZINC000059634822 562702101 /nfs/dbraw/zinc/70/21/01/562702101.db2.gz OPKQGGZAZZCIJB-LJAQVGFWSA-N -1 0 556.663 5.194 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2F)=NO1 ZINC000059629809 562702110 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526.452 5.954 3 0 KKAFRM CCc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066139488 562713500 /nfs/dbraw/zinc/71/35/00/562713500.db2.gz FMJCAPALBKMQFF-UIOOFZCWSA-N -1 0 540.479 6.208 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066166882 562714180 /nfs/dbraw/zinc/71/41/80/562714180.db2.gz CMNRHGQJDDVNAL-DQEYMECFSA-N -1 0 526.452 5.954 3 0 KKAFRM CC1(C)CC[C@]2(COC(=O)CC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000066258348 562714935 /nfs/dbraw/zinc/71/49/35/562714935.db2.gz MBWAOVUFBNPKDU-LNBHZDOHSA-N -1 0 526.758 7.375 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000070631570 562716398 /nfs/dbraw/zinc/71/63/98/562716398.db2.gz PMRGZMORCRUODW-SCSBYZNTSA-N -1 0 568.795 6.902 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071297001 562717737 /nfs/dbraw/zinc/71/77/37/562717737.db2.gz FMXAKYUKNGWYKW-NRFANRHFSA-N -1 0 530.086 6.780 1 0 KKAFRM CC(C)CCCCCCCCCCCCCCOCCCO[P@](=O)([O-])CO[C@H](CO)Cn1ccc(N)nc1=O ZINC000071316446 562717954 /nfs/dbraw/zinc/71/79/54/562717954.db2.gz JAWOXKXSTNCVBC-SANMLTNESA-N -1 0 575.728 5.497 1 0 KKAFRM CC(C)C[C@@H]1c2ccc(Cl)cc2[C@@H](c2ccccc2Cl)CN(CC(=O)NCCCCCC(=O)[O-])C1=O ZINC000071317104 562718140 /nfs/dbraw/zinc/71/81/40/562718140.db2.gz LFTDPLLBAFQCLO-DNQXCXABSA-N -1 0 533.496 5.858 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071317406 562718234 /nfs/dbraw/zinc/71/82/34/562718234.db2.gz DPVVRLPGCOQZLR-HXUWFJFHSA-N -1 0 564.531 7.433 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCCC3)ccc21 ZINC000071332532 562719388 /nfs/dbraw/zinc/71/93/88/562719388.db2.gz XSEXRLUMYKCCHE-UHFFFAOYSA-N -1 0 591.712 6.625 1 0 KKAFRM Cc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cc1Cl ZINC000071334079 562719558 /nfs/dbraw/zinc/71/95/58/562719558.db2.gz LSWJHWMUMFPYGZ-CPNJWEJPSA-N -1 0 612.170 8.100 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cccc2[nH]ccc21 ZINC000071340782 562719807 /nfs/dbraw/zinc/71/98/07/562719807.db2.gz DBQLNMNPCXJRIG-XMHGGMMESA-N -1 0 602.735 7.619 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccc2[nH]ccc2c1 ZINC000071341129 562719885 /nfs/dbraw/zinc/71/98/85/562719885.db2.gz ZEHNTLTZXWGXNL-WOJGMQOQSA-N -1 0 602.735 7.619 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000071342086 562720107 /nfs/dbraw/zinc/72/01/07/562720107.db2.gz NQLZNQDWPCNSHC-JHCVUJRGSA-N -1 0 522.733 5.529 1 0 KKAFRM Cc1c(CC(=O)[O-])c2ccccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(Cl)c1 ZINC000072110812 562721842 /nfs/dbraw/zinc/72/18/42/562721842.db2.gz SNSGVPMIGUZIHF-IBGZPJMESA-N -1 0 504.970 5.195 1 0 KKAFRM CC(=O)c1ccc(O[C@@H](Cc2ccc3oc(CCCc4nc(-c5ccccc5)oc4C)nc3c2)C(=O)[O-])cc1 ZINC000072113284 562722297 /nfs/dbraw/zinc/72/22/97/562722297.db2.gz FMXLLGXKYJYKJK-NDEPHWFRSA-N -1 0 524.573 6.244 1 0 KKAFRM COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCC(C(=O)[O-])CC2)c(OC(C)C)c1 ZINC000072113703 562722450 /nfs/dbraw/zinc/72/24/50/562722450.db2.gz AOOPKPSXUALIGS-URLMMPGGSA-N -1 0 610.538 7.251 1 0 KKAFRM COc1ccc(O[C@@H](Cc2ccc3oc(CCCc4nc(-c5ccccc5)oc4C)nc3c2)C(=O)[O-])cc1 ZINC000072114155 562722623 /nfs/dbraw/zinc/72/26/23/562722623.db2.gz NUEKTXPDLANICS-MHZLTWQESA-N -1 0 512.562 6.050 1 0 KKAFRM COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCC(C)(C)C)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000072114730 562722789 /nfs/dbraw/zinc/72/27/89/562722789.db2.gz QLESLSWFDOITID-WKRVVKTRSA-N -1 0 631.210 6.338 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1cccc2ccccc21 ZINC000072116547 562723164 /nfs/dbraw/zinc/72/31/64/562723164.db2.gz JJEKFUSEYYLDSV-UHFFFAOYSA-N -1 0 586.710 6.145 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000072125718 562725210 /nfs/dbraw/zinc/72/52/10/562725210.db2.gz SCHHRIACRUJXBG-UHFFFAOYSA-N -1 0 522.388 7.592 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3sc(C(=O)[O-])cc3n2)cc1 ZINC000072125849 562725248 /nfs/dbraw/zinc/72/52/48/562725248.db2.gz PFUBFRHYUMFKMM-UHFFFAOYSA-N -1 0 539.440 8.326 1 0 KKAFRM C/C(=C\c1nn(C2CCCCC2)c(-c2ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3-c3ccc(Cl)cc3)cc2)c1Br)C(=O)[O-] ZINC000072128762 562726290 /nfs/dbraw/zinc/72/62/90/562726290.db2.gz JYUOVPFYSYLUED-DARPEHSRSA-N -1 0 733.103 8.802 1 0 KKAFRM O=C([O-])CCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000072133977 562727071 /nfs/dbraw/zinc/72/70/71/562727071.db2.gz BYGRZUBINAXJEF-BDYUSTAISA-N -1 0 622.317 6.622 1 0 KKAFRM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000072134799 562727343 /nfs/dbraw/zinc/72/73/43/562727343.db2.gz ALCLFRAJEMGOIC-GNBJCERTSA-N -1 0 652.667 5.029 3 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(S(C)(=O)=O)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000072142701 562729616 /nfs/dbraw/zinc/72/96/16/562729616.db2.gz WNPRTODMFDBUTE-QROXQBBHSA-N -1 0 556.813 6.591 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)N[C@H](CO)C(=O)[O-])CC[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]2[C@H]1C ZINC000072176191 562731551 /nfs/dbraw/zinc/73/15/51/562731551.db2.gz XEKVAWKHTPZSKX-IJWCKDQHSA-N -1 0 543.789 5.567 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000072178685 562732154 /nfs/dbraw/zinc/73/21/54/562732154.db2.gz YVEPCRMWSAAWMS-OAJCAZATSA-N -1 0 503.957 6.037 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000072316226 562733073 /nfs/dbraw/zinc/73/30/73/562733073.db2.gz MSSQOQPKGAMUSY-LEAFIULHSA-N -1 0 539.028 5.412 1 0 in-vitro KKAFRM COc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(OC)nc3)cc2)nc1 ZINC000073159601 562734019 /nfs/dbraw/zinc/73/40/19/562734019.db2.gz PPTKTPNWMPZZEO-UHFFFAOYSA-N -1 0 639.818 8.287 1 0 KKAFRM O=C([O-])CCC(=O)N1CCc2cc(-c3noc(-c4ccc(-c5cccs5)c(C(F)(F)F)c4)n3)ccc21 ZINC000073160778 562734079 /nfs/dbraw/zinc/73/40/79/562734079.db2.gz ZYUGGXWRMOUNLQ-UHFFFAOYSA-N -1 0 513.497 5.905 1 0 KKAFRM O=C([O-])c1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000073197127 562735298 /nfs/dbraw/zinc/73/52/98/562735298.db2.gz IQGGNPSKGMPPJQ-UHFFFAOYSA-N -1 0 533.820 7.300 1 0 KKAFRM Cc1ccc2onc(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)[O-])c4)c4cc(C(F)(F)F)ccc43)c2c1 ZINC000073199642 562736033 /nfs/dbraw/zinc/73/60/33/562736033.db2.gz FCNCSHGVFAKITJ-CQSZACIVSA-N -1 0 545.901 5.814 1 0 KKAFRM CCCCNC(=O)c1ccc(Oc2ccc(Cc3nn[nH]n3)cc2OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000073224141 562736626 /nfs/dbraw/zinc/73/66/26/562736626.db2.gz RUZKBEROPVMYHR-UHFFFAOYSA-N -1 0 605.504 5.229 1 0 KKAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3ccc(Cl)cc3)c2)n1 ZINC000073310383 562737798 /nfs/dbraw/zinc/73/77/98/562737798.db2.gz FZLGDIHXQOETBY-PCBIHFGQSA-N -1 0 529.083 5.405 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000073313805 562737956 /nfs/dbraw/zinc/73/79/56/562737956.db2.gz HGMVESCHSMFWDD-KZASKYRPSA-N -1 0 568.795 7.060 1 0 KKAFRM CCCCC/C=C/C/C=C/CCCCCCCC(=O)Oc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000073312979 562737991 /nfs/dbraw/zinc/73/79/91/562737991.db2.gz HRNBMOKPODDQHV-BGWNQKRASA-N -1 0 636.917 11.638 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c2ccc(C(F)(F)F)cc2n(Cc2cc([C@@]3(C)OC(=O)[N-]C3=O)ccc2Cl)c1=O ZINC000082157206 562740846 /nfs/dbraw/zinc/74/08/46/562740846.db2.gz FEORCGDJSCLLMT-AREMUKBSSA-N -1 0 586.910 5.144 1 0 KKAFRM O=C([O-])Cc1cccc(-n2nc(C3CC3)cc2NC(=O)Nc2nc(CCOCc3ccccc3)cs2)c1 ZINC000082158464 562741145 /nfs/dbraw/zinc/74/11/45/562741145.db2.gz NFGVTAKGARDFBO-UHFFFAOYSA-N -1 0 517.611 5.237 1 0 KKAFRM C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCC(=O)[O-] ZINC000082164823 562741262 /nfs/dbraw/zinc/74/12/62/562741262.db2.gz XYOHFRGALQKTRF-UWLGOHHASA-N -1 0 626.787 5.089 1 0 KKAFRM Cc1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])cc1 ZINC000084324189 562742857 /nfs/dbraw/zinc/74/28/57/562742857.db2.gz VSNKFXIOLIYGTR-JJBSANDOSA-N -1 0 610.836 5.690 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])c(Cl)c1 ZINC000084586794 562743411 /nfs/dbraw/zinc/74/34/11/562743411.db2.gz RWKWEYKLIJYDKE-UHFFFAOYSA-N -1 0 649.958 9.549 1 0 KKAFRM CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CCC(=O)[O-])c3c2ccn3C)s1 ZINC000084597017 562743894 /nfs/dbraw/zinc/74/38/94/562743894.db2.gz ANXCDVJVRQJREN-UHFFFAOYSA-N -1 0 530.572 6.180 1 0 KKAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)[O-])c3ccc(Br)cc3)c2)c(OC)c1 ZINC000084602528 562744014 /nfs/dbraw/zinc/74/40/14/562744014.db2.gz FWLIUEWZQJQCJJ-GIPLCNRYSA-N -1 0 606.491 5.307 1 0 KKAFRM CC(=O)C[C@]1(O)C(=O)c2oc3cc4c(c(=O)c-3c([O-])c2C(CC=C(C)C)(CC=C(C)C)C1=O)C=CC(C)(C)O4 ZINC000084603942 562744225 /nfs/dbraw/zinc/74/42/25/562744225.db2.gz VDCUEILRTFTERJ-HKBQPEDESA-N -1 0 534.605 5.109 1 0 KKAFRM CC(C)=CCc1c([O-])cc2oc3c(c(=O)c2c1O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C3=O ZINC000084603936 562744229 /nfs/dbraw/zinc/74/42/29/562744229.db2.gz YESGPFGMANPCDL-MGBGTMOVSA-N -1 0 548.676 6.516 1 0 KKAFRM O=C([O-])Cc1cnc(C(=O)c2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 ZINC000084616935 562744709 /nfs/dbraw/zinc/74/47/09/562744709.db2.gz HLUOZNJHQSVRMX-UHFFFAOYSA-N -1 0 507.373 5.971 1 0 KKAFRM COc1ccc(-c2oc3ccc(OCc4cccc(I)c4)cc3c2C(=O)[O-])cc1 ZINC000084652180 562746467 /nfs/dbraw/zinc/74/64/67/562746467.db2.gz OHDUJTCYZLJZGJ-UHFFFAOYSA-N -1 0 500.288 5.990 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000084652595 562746613 /nfs/dbraw/zinc/74/66/13/562746613.db2.gz SVZWSGKBAHHLCD-UHFFFAOYSA-N -1 0 528.476 7.735 1 0 KKAFRM COc1ccc(-c2c(C3CCCCC3)c3ccc4cc3n2CC(=O)NCCCCCN(C)S(=O)(=O)[N-]C4=O)cc1 ZINC000084654600 562747288 /nfs/dbraw/zinc/74/72/88/562747288.db2.gz HWIWROIHPIOYQW-UHFFFAOYSA-N -1 0 566.724 5.146 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCCNc2nc3ccccc3s2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654961 562747378 /nfs/dbraw/zinc/74/73/78/562747378.db2.gz XGLXZTFJSOLCED-FQEVSTJZSA-N -1 0 530.433 5.520 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(Br)(Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084668963 562747802 /nfs/dbraw/zinc/74/78/02/562747802.db2.gz YUCFZNWDNKKDIR-RKYFVHDISA-N -1 0 614.503 8.474 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(Oc3ccccc3)c2)cc1 ZINC000084669134 562747921 /nfs/dbraw/zinc/74/79/21/562747921.db2.gz QVOBOZQDJMJNMK-UHFFFAOYSA-N -1 0 551.683 8.221 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6sc(N)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084669648 562748046 /nfs/dbraw/zinc/74/80/46/562748046.db2.gz RASMIZWADITSSW-NXEQSAOGSA-N -1 0 512.804 7.561 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1 ZINC000084670528 562748312 /nfs/dbraw/zinc/74/83/12/562748312.db2.gz GLJMIJZDLOPFJA-UHFFFAOYSA-N -1 0 543.582 7.327 1 0 KKAFRM COc1cc(OC)cc(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084670526 562748341 /nfs/dbraw/zinc/74/83/41/562748341.db2.gz NHDCQMOKBRUHJP-UHFFFAOYSA-N -1 0 519.638 6.445 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000084670699 562748367 /nfs/dbraw/zinc/74/83/67/562748367.db2.gz VNSPMTLPZYYNIV-UHFFFAOYSA-N -1 0 559.833 7.955 1 0 KKAFRM CCCCN(C(=O)c1cccc(C(=O)[O-])c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl ZINC000084671306 562748541 /nfs/dbraw/zinc/74/85/41/562748541.db2.gz XSVHNRMIBMLYBR-UHFFFAOYSA-N -1 0 615.941 9.149 1 0 KKAFRM COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(-n2cc(C(=O)[O-])nn2)s1 ZINC000084688823 562749278 /nfs/dbraw/zinc/74/92/78/562749278.db2.gz QPLKZFZCJRJJEF-UHFFFAOYSA-N -1 0 548.050 5.244 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(COCC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084691018 562749768 /nfs/dbraw/zinc/74/97/68/562749768.db2.gz CTXRYLSNLUBMOC-PDDLMNHVSA-N -1 0 583.081 5.429 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CC(C)C)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084709483 562750296 /nfs/dbraw/zinc/75/02/96/562750296.db2.gz XSSCXIKATZTDKI-OAQYLSRUSA-N -1 0 509.615 7.789 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711127 562750656 /nfs/dbraw/zinc/75/06/56/562750656.db2.gz DUZVPJRZUHZSMN-AREMUKBSSA-N -1 0 571.686 8.765 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1cccc2ccccc21)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084712103 562750738 /nfs/dbraw/zinc/75/07/38/562750738.db2.gz ZLIUZMRTTZRXTE-MUUNZHRXSA-N -1 0 593.692 9.138 1 0 KKAFRM Cc1cccc(-c2sc3c(-c4cn(C)c5ccccc45)c(COc4cccc5ccccc54)cc(=O)n3c2C(=O)[O-])c1 ZINC000084712852 562750845 /nfs/dbraw/zinc/75/08/45/562750845.db2.gz VNZKFQUXFZQASF-UHFFFAOYSA-N -1 0 570.670 7.926 1 0 KKAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCCCN(C)C1=O ZINC000084727663 562751404 /nfs/dbraw/zinc/75/14/04/562751404.db2.gz LTHKMHZATSPXJT-UHFFFAOYSA-N -1 0 590.746 5.495 1 0 in-vitro KKAFRM COc1cccc(NC(=O)N(CCCCC2CCCCC2)CCc2ccc(SC(C)(C)C(=O)[O-])cc2)c1 ZINC000084730277 562751618 /nfs/dbraw/zinc/75/16/18/562751618.db2.gz ZUEQERZRCCIEQQ-UHFFFAOYSA-N -1 0 526.743 7.478 1 0 KKAFRM CC1=CCC[C@@H](C)[C@]1(C)CC[C@@]1(C)[C@@H]2CC[C@@]3(C)[C@@H]4Cc5c(c([C@@H](O)C(=O)[O-])ccc5O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000084740685 562752101 /nfs/dbraw/zinc/75/21/01/562752101.db2.gz BIWPAJKWWZONNW-XYXYNGENSA-N -1 0 592.861 8.097 1 0 KKAFRM Cc1ccc(Oc2ccc(CN(Cc3cc(F)cc(F)c3)c3c(Br)cc(CC(=O)[O-])cc3Br)cc2)c(C)c1 ZINC000084741777 562752195 /nfs/dbraw/zinc/75/21/95/562752195.db2.gz BFFDALZJIKNQKR-UHFFFAOYSA-N -1 0 645.338 8.733 1 0 KKAFRM CCc1cc(OCCCS(C)(=O)=O)cc(CC)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084759477 562752950 /nfs/dbraw/zinc/75/29/50/562752950.db2.gz XVTKVGIZQCELOW-RUZDIDTESA-N -1 0 552.689 5.822 1 0 KKAFRM Cc1cc(OCCCN2CCCC2=O)cc(C)c1-c1cccc(COc2ccc(CCC(=O)[O-])c(F)c2)c1 ZINC000084759542 562752994 /nfs/dbraw/zinc/75/29/94/562752994.db2.gz FKCANYSFMNFPSV-UHFFFAOYSA-N -1 0 519.613 6.097 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@@H]2NC(=O)c2cc3cc(O[P@@](=O)([O-])OCc4ccccc4)ccc3[nH]2)cc1 ZINC000095539592 562755181 /nfs/dbraw/zinc/75/51/81/562755181.db2.gz JUMCEANFVBLYLD-QAZBPYKKSA-N -1 0 826.868 8.321 1 0 KKAFRM CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000095549233 562759812 /nfs/dbraw/zinc/75/98/12/562759812.db2.gz QYZRZUSLVCIWGS-UHFFFAOYSA-N -1 0 819.981 5.166 1 0 KKAFRM O=c1c2cc(S(=O)(=O)[O-])ccc2nc(COc2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000095550158 562759956 /nfs/dbraw/zinc/75/99/56/562759956.db2.gz ZHSJFIJTAOJLDZ-UHFFFAOYSA-N -1 0 730.409 9.410 1 0 KKAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc([N-]S(=O)(=O)c5ccc(Br)s5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000095550197 562759970 /nfs/dbraw/zinc/75/99/70/562759970.db2.gz ROXQXESWFMGMOD-JEFBXYLFSA-N -1 0 757.637 5.472 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(OC(=O)c2ccc(Br)cc2)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000095557971 562762294 /nfs/dbraw/zinc/76/22/94/562762294.db2.gz BUZRFVVZQDMYDA-OZULOYDXSA-N -1 0 773.802 8.118 1 0 KKAFRM C[C@@H](Oc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C(=O)N(C)Cc4ccc(F)cc4)c4ccccc4)ccc3n2)cc1)C(=O)[O-] ZINC000095558816 562762553 /nfs/dbraw/zinc/76/25/53/562762553.db2.gz IFRHYCUCKUPKFP-BVFDSDPOSA-N -1 0 710.762 7.275 1 0 KKAFRM CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)[O-])ccc2O)n3Cc2ccc(OC)c(O)c2)n1 ZINC000095562193 562763627 /nfs/dbraw/zinc/76/36/27/562763627.db2.gz GWMXQQVRRSFOFF-UHFFFAOYSA-N -1 0 564.598 6.186 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@H]1C3=O)C(=O)[C@]2(C/C=C(/C)C(=O)[O-])OC4(C)C ZINC000095564062 562764163 /nfs/dbraw/zinc/76/41/63/562764163.db2.gz UYPYPAISERHQAO-MXQVURAJSA-N -1 0 630.778 7.319 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(COCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095572513 562769440 /nfs/dbraw/zinc/76/94/40/562769440.db2.gz PVYONNKWQLSIMS-INEJIFKHSA-N -1 0 504.752 7.834 1 0 KKAFRM O=S(=O)([N-]c1cnc(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000095573685 562769754 /nfs/dbraw/zinc/76/97/54/562769754.db2.gz ZPGFCNQSTHXLPQ-UHFFFAOYSA-N -1 0 514.312 6.549 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@@](C)(COCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095574084 562769882 /nfs/dbraw/zinc/76/98/82/562769882.db2.gz PVYONNKWQLSIMS-LWPQGVMLSA-N -1 0 504.752 7.834 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cccc(C)n3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095574496 562769962 /nfs/dbraw/zinc/76/99/62/562769962.db2.gz SFVLWEMOLWCMOJ-LSDHQDQOSA-N -1 0 590.724 6.985 1 0 KKAFRM Cc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)cs1 ZINC000095574510 562770022 /nfs/dbraw/zinc/77/00/22/562770022.db2.gz BHAXVRVZVAKYSK-UHFFFAOYSA-N -1 0 609.752 6.749 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ccsc1 ZINC000095575244 562770262 /nfs/dbraw/zinc/77/02/62/562770262.db2.gz QEBKBVZYGHFOMB-XNTDXEJSSA-N -1 0 581.738 7.344 1 0 KKAFRM COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)n1 ZINC000095577070 562770841 /nfs/dbraw/zinc/77/08/41/562770841.db2.gz MFMIFXISIKHXEK-QGOAFFKASA-N -1 0 592.696 6.296 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1ncccn1 ZINC000095577064 562770865 /nfs/dbraw/zinc/77/08/65/562770865.db2.gz CZVSBWCLILQIDA-LFIBNONCSA-N -1 0 577.685 6.072 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cc3)c4C3CCCC3)ccc21 ZINC000095577420 562770932 /nfs/dbraw/zinc/77/09/32/562770932.db2.gz DJICLQKUMQDDQH-UHFFFAOYSA-N -1 0 611.142 7.493 1 0 KKAFRM CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)cs1 ZINC000095578203 562771141 /nfs/dbraw/zinc/77/11/41/562771141.db2.gz GRBUSGUQRJKIFL-LFIBNONCSA-N -1 0 611.768 6.414 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccncc3)c4C3CCCC3)ccc21 ZINC000095579275 562771455 /nfs/dbraw/zinc/77/14/55/562771455.db2.gz PRRYVACXECGKKR-UHFFFAOYSA-N -1 0 577.685 6.235 1 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)cn1 ZINC000095579163 562771468 /nfs/dbraw/zinc/77/14/68/562771468.db2.gz HPCFEWFMLGKFAC-LDADJPATSA-N -1 0 590.724 6.985 1 0 KKAFRM Cc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)cs1 ZINC000095579332 562771529 /nfs/dbraw/zinc/77/15/29/562771529.db2.gz GDOXBEWEGRCWQY-UHFFFAOYSA-N -1 0 597.741 6.605 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(C)cn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095579761 562771642 /nfs/dbraw/zinc/77/16/42/562771642.db2.gz NKXQYKHBGIXDFX-FCDQGJHFSA-N -1 0 590.724 6.985 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(C)nc3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095580280 562771783 /nfs/dbraw/zinc/77/17/83/562771783.db2.gz ITSCQXQVFONJOQ-ZBJSNUHESA-N -1 0 590.724 6.985 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(C(F)(F)F)cn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095580190 562771808 /nfs/dbraw/zinc/77/18/08/562771808.db2.gz MAESSUICRRFMME-DYTRJAOYSA-N -1 0 644.694 7.696 1 0 KKAFRM Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cnccn3)cc2Cl)ccn1 ZINC000095581858 562772327 /nfs/dbraw/zinc/77/23/27/562772327.db2.gz POXSZMOSFUISPK-UHFFFAOYSA-N -1 0 506.346 5.160 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2cncnc2)cc1F ZINC000095582932 562772789 /nfs/dbraw/zinc/77/27/89/562772789.db2.gz LGPBUENWJNQTFL-UHFFFAOYSA-N -1 0 530.912 6.005 1 0 KKAFRM O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)n1)N1CCC1 ZINC000095583501 562772923 /nfs/dbraw/zinc/77/29/23/562772923.db2.gz ACESIAOYPOWDHX-UHFFFAOYSA-N -1 0 580.450 5.485 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2Cc2ccccc2)c(F)c1 ZINC000095584048 562773117 /nfs/dbraw/zinc/77/31/17/562773117.db2.gz XPQKIPUNOBZUGD-UHFFFAOYSA-N -1 0 541.029 6.441 1 0 KKAFRM O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)c1)N1CC(O)C1 ZINC000095584113 562773169 /nfs/dbraw/zinc/77/31/69/562773169.db2.gz MDQANSDUWBTHEW-UHFFFAOYSA-N -1 0 595.461 5.061 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095584646 562773301 /nfs/dbraw/zinc/77/33/01/562773301.db2.gz OWPYGSXSZDQFCR-UHFFFAOYSA-N -1 0 518.445 5.303 1 0 KKAFRM COc1c(CC=C(C)C)c(O)c(C(C)=O)c([O-])c1Cc1c(O)c(C(C)=O)c(O)c(CC=C(C)C)c1OC ZINC000095585951 562773808 /nfs/dbraw/zinc/77/38/08/562773808.db2.gz SQDDGCHCPZMCOU-UHFFFAOYSA-N -1 0 512.599 5.540 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1cnc(N2CCC(COc3cccc(C(=O)[O-])c3)CC2)nc1 ZINC000095588461 562774663 /nfs/dbraw/zinc/77/46/63/562774663.db2.gz QCIXYCUEDNMSCZ-UHFFFAOYSA-N -1 0 562.626 6.444 1 0 KKAFRM CCCc1oc(=O)c([C@H](c2ccccc2)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c([O-])c1C(C)C ZINC000095588779 562774751 /nfs/dbraw/zinc/77/47/51/562774751.db2.gz OIBBWFLGWHQBFZ-XMMPIXPASA-N -1 0 520.622 6.430 1 0 KKAFRM NC(=O)c1cncc(Oc2c(Cl)cc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 ZINC000095588846 562774805 /nfs/dbraw/zinc/77/48/05/562774805.db2.gz UOVZAVLNUTTZBU-UHFFFAOYSA-N -1 0 507.182 5.387 1 0 KKAFRM O=C([O-])c1cccc(OCC2CCN(c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cn3)CC2)c1 ZINC000095589529 562775007 /nfs/dbraw/zinc/77/50/07/562775007.db2.gz JSOAEDIQDNLXQO-UHFFFAOYSA-N -1 0 537.616 5.907 1 0 KKAFRM CCCCOc1cccc(C(=O)Nc2ccc(N3CCC(COc4cccc(C(=O)[O-])c4)CC3)nc2)c1 ZINC000095591192 562775504 /nfs/dbraw/zinc/77/55/04/562775504.db2.gz KRCRMMQFQQFARB-UHFFFAOYSA-N -1 0 503.599 5.506 1 0 KKAFRM O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 ZINC000095594096 562776397 /nfs/dbraw/zinc/77/63/97/562776397.db2.gz BPZOEMKYRIFPIG-UHFFFAOYSA-N -1 0 614.309 7.123 1 0 KKAFRM CCC[C@H](C(=O)[O-])N1C(=O)[C@H](Cc2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000095603156 562780404 /nfs/dbraw/zinc/78/04/04/562780404.db2.gz BPTXICQAEGSTHS-ZJSPYRCASA-N -1 0 530.423 6.638 1 0 KKAFRM CC(C)(C)[S@](=O)N1Cc2cc(C(=O)[O-])nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095605111 562781375 /nfs/dbraw/zinc/78/13/75/562781375.db2.gz WYZIXXCOOAVGGW-BUFIKQNTSA-N -1 0 504.608 5.561 3 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2ccccc2C(F)(F)F)[C@H](C(=O)[O-])C3)c1 ZINC000095606040 562781855 /nfs/dbraw/zinc/78/18/55/562781855.db2.gz SABZVPLBZKCOLJ-ZUTVHTERSA-N -1 0 763.288 6.554 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)/C(F)=C/c1ccccc1 ZINC000095606024 562781863 /nfs/dbraw/zinc/78/18/63/562781863.db2.gz ZGBSTPVEFABOSR-YOURIZNBSA-N -1 0 741.291 5.367 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccccc1F ZINC000095606091 562781878 /nfs/dbraw/zinc/78/18/78/562781878.db2.gz OOPXCAFBIRGEQD-UVIRAJKCSA-N -1 0 751.252 6.684 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000095606078 562781890 /nfs/dbraw/zinc/78/18/90/562781890.db2.gz MDTDLWVNUMQKBO-XMGLVOBQSA-N -1 0 768.600 7.486 1 0 KKAFRM CCC[C@H](NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095607020 562782592 /nfs/dbraw/zinc/78/25/92/562782592.db2.gz YKDZJDSNOBOEEI-ITAALJQASA-N -1 0 770.924 5.743 1 0 KKAFRM O=C([O-])[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1c(Br)cc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000095608559 562783598 /nfs/dbraw/zinc/78/35/98/562783598.db2.gz ATICEAYKVFZDBK-YTTGMZPUSA-N -1 0 781.522 9.869 1 0 KKAFRM COC(=O)[C@H](CCNC(=O)c1ccccc1C(=O)[O-])Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc43)cc2)cc1Br ZINC000095608597 562783603 /nfs/dbraw/zinc/78/36/03/562783603.db2.gz YRLJYLHQSJYDKP-XIFFEERXSA-N -1 0 813.564 9.790 1 0 KKAFRM Cc1cc(Oc2c(/C=C(/C(=O)[O-])c3ccncc3)sc3cc(OCc4ccc(-c5ccccc5)cc4)c(OCc4ccc(-c5ccccc5)cc4)cc32)ccc1Cl ZINC000095609740 562783975 /nfs/dbraw/zinc/78/39/75/562783975.db2.gz SJPGUIOCIRIKPR-SISPBFPDSA-N -1 0 786.349 13.168 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccccc2C(O)(C(F)(F)F)C(F)(F)F)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000095610419 562784372 /nfs/dbraw/zinc/78/43/72/562784372.db2.gz PTQNWRHPFTVLJE-PVOYRIJTSA-N -1 0 734.611 10.748 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000095612689 562785753 /nfs/dbraw/zinc/78/57/53/562785753.db2.gz QJWBAXBHYLDSEO-UHFFFAOYSA-N -1 0 748.128 9.221 1 0 KKAFRM CCN(CC)C(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000095612928 562785900 /nfs/dbraw/zinc/78/59/00/562785900.db2.gz MHOPTQKTBICWMN-WDYNHAJCSA-N -1 0 736.434 6.993 1 0 KKAFRM Cc1ccc(/C=C/C(=O)N2Cc3c(cc(I)c(OCc4cccc(C(F)(F)F)c4)c3I)C[C@H]2C(=O)[O-])cc1 ZINC000095614291 562786550 /nfs/dbraw/zinc/78/65/50/562786550.db2.gz SPYKZDJVVJJOAU-ZUTVHTERSA-N -1 0 747.289 6.853 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccc(Cl)nc1)c1ccncc1 ZINC000095615337 562787226 /nfs/dbraw/zinc/78/72/26/562787226.db2.gz DPQQXVIIONQTJW-JBFMKSPFSA-N -1 0 773.310 12.254 1 0 KKAFRM Cc1cccc(C)c1SCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000095615692 562787479 /nfs/dbraw/zinc/78/74/79/562787479.db2.gz DYZDNNFGIJSBDC-UHFFFAOYSA-N -1 0 739.359 9.081 1 0 KKAFRM O=C([O-])CCc1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000095615833 562787568 /nfs/dbraw/zinc/78/75/68/562787568.db2.gz ATBZLJGREVYQGX-UHFFFAOYSA-N -1 0 791.338 7.906 1 0 KKAFRM O=C([O-])Cc1cc(I)c(Oc2cc(I)c(OC[C@@H]3CO3)c(I)c2)c(I)c1 ZINC000095617362 562787989 /nfs/dbraw/zinc/78/79/89/562787989.db2.gz NLEOBUBCNMDZFK-JTQLQIEISA-N -1 0 803.894 5.302 1 0 KKAFRM COc1cc(F)ccc1C(=O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c1=O ZINC000096169972 562790922 /nfs/dbraw/zinc/79/09/22/562790922.db2.gz JVNKBWAPONONSA-UHFFFAOYSA-N -1 0 624.650 5.191 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258549 562792873 /nfs/dbraw/zinc/79/28/73/562792873.db2.gz GHTKXZOHLJALNN-MUUNZHRXSA-N -1 0 705.633 7.205 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2ccc(F)c([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(Cl)c1 ZINC000096269881 562793061 /nfs/dbraw/zinc/79/30/61/562793061.db2.gz BRSQQSIXEONPIL-XGCWNURASA-N -1 0 577.026 5.423 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2cc(F)cc([C@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(Cl)c1 ZINC000096269879 562793065 /nfs/dbraw/zinc/79/30/65/562793065.db2.gz JGMXYJRCSVVJHM-DNOBIOAJSA-N -1 0 577.026 5.423 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(CC[C@H]3C(=O)[O-])CCC4)cc2C2=CCCC2(C)C)c1 ZINC000096270312 562793183 /nfs/dbraw/zinc/79/31/83/562793183.db2.gz KDMSXLJVDHQNNV-LWQYYNMXSA-N -1 0 540.675 8.352 1 0 KKAFRM O=C([O-])c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3ccccc3OC(F)(F)F)c3ccccc32)c1 ZINC000096270365 562793216 /nfs/dbraw/zinc/79/32/16/562793216.db2.gz ICINAXKSSWVRFJ-CYYJNZCTSA-N -1 0 515.487 6.789 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283774 562794971 /nfs/dbraw/zinc/79/49/71/562794971.db2.gz PXQFOMCFQUXMBP-QHCPKHFHSA-N -1 0 534.399 6.044 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(F)c(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283807 562794993 /nfs/dbraw/zinc/79/49/93/562794993.db2.gz UVQOTZGAWDPWLJ-HSZRJFAPSA-N -1 0 552.389 6.184 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096283826 562795042 /nfs/dbraw/zinc/79/50/42/562795042.db2.gz JMLZANPUPVANFX-QHCPKHFHSA-N -1 0 567.951 6.410 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284634 562795192 /nfs/dbraw/zinc/79/51/92/562795192.db2.gz SBHOAUNHLJZUIG-UHFFFAOYSA-N -1 0 737.143 7.911 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284635 562795223 /nfs/dbraw/zinc/79/52/23/562795223.db2.gz FEUHWZOEOBJQHP-UHFFFAOYSA-N -1 0 737.143 7.911 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2c(F)cc(F)c(F)c2F)cc1 ZINC000096284658 562795235 /nfs/dbraw/zinc/79/52/35/562795235.db2.gz MSXJZVJUQYHNHT-UHFFFAOYSA-N -1 0 698.735 7.427 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284646 562795240 /nfs/dbraw/zinc/79/52/40/562795240.db2.gz ITZWPYNRWGKKQN-UHFFFAOYSA-N -1 0 702.698 7.258 1 0 KKAFRM CCCN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000096284695 562795263 /nfs/dbraw/zinc/79/52/63/562795263.db2.gz RIKUOHVGVVXCPB-UHFFFAOYSA-N -1 0 578.731 6.081 1 0 KKAFRM Cc1ccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000096284676 562795273 /nfs/dbraw/zinc/79/52/73/562795273.db2.gz AAZDMFVKJQKTQQ-UHFFFAOYSA-N -1 0 640.802 7.179 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000096284689 562795281 /nfs/dbraw/zinc/79/52/81/562795281.db2.gz PHZDGGVXZAPHJU-UHFFFAOYSA-N -1 0 694.772 7.890 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccc(F)c2)cc1 ZINC000096284687 562795285 /nfs/dbraw/zinc/79/52/85/562795285.db2.gz JMDFCZIIPKDGCK-UHFFFAOYSA-N -1 0 644.765 7.010 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)C3CCCCC3)sc2-c2ccccc2)c1 ZINC000096285486 562795752 /nfs/dbraw/zinc/79/57/52/562795752.db2.gz RXDVRRLCEKEDMY-XIFFEERXSA-N -1 0 659.808 8.320 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)cc1F ZINC000096285487 562795768 /nfs/dbraw/zinc/79/57/68/562795768.db2.gz QSUSYMJEVYSFAI-QNGWXLTQSA-N -1 0 738.841 8.993 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)[O-])cn3)c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1OC ZINC000096285785 562795920 /nfs/dbraw/zinc/79/59/20/562795920.db2.gz MHNXCSOGTDQEAW-WOJBJXKFSA-N -1 0 563.920 5.102 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000096904487 562798363 /nfs/dbraw/zinc/79/83/63/562798363.db2.gz DRIHBCAFYYEGLI-IGMOWHQGSA-N -1 0 791.990 5.138 1 0 KKAFRM CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)[O-])cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc21 ZINC000096906446 562798810 /nfs/dbraw/zinc/79/88/10/562798810.db2.gz UESIMBAHDWYCHS-UHFFFAOYSA-N -1 0 826.782 7.129 1 0 KKAFRM CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OS(=O)(=O)[O-])c(OC)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc21 ZINC000096906816 562798882 /nfs/dbraw/zinc/79/88/82/562798882.db2.gz AAEAPWXSBCFLFB-UHFFFAOYSA-N -1 0 826.782 7.129 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000096915566 562801034 /nfs/dbraw/zinc/80/10/34/562801034.db2.gz BJFLQQFMBZHWKK-JBJZXSFLSA-N -1 0 554.812 7.722 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)[C@H]5CC=CC[C@@H]5C(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 ZINC000096927789 562802690 /nfs/dbraw/zinc/80/26/90/562802690.db2.gz JHTFVLNGWJTJBI-UVYSYLEFSA-N -1 0 540.704 7.029 1 0 KKAFRM CC(C)N(Cc1ccc(C(=O)N(Cc2ccc(CCC(=O)[O-])cc2)C(C)C)cc1)C(=O)c1ccccc1 ZINC000096928999 562803005 /nfs/dbraw/zinc/80/30/05/562803005.db2.gz UXNPHKBYMVURQI-UHFFFAOYSA-N -1 0 500.639 5.805 1 0 KKAFRM COc1ccc(COc2ccc(-c3ccc(COc4ccccc4CC[N@H+](CCCCC(=O)[O-])Cc4ccc(C(=O)[O-])cc4)cc3)cc2)cc1 ZINC000096938319 562804470 /nfs/dbraw/zinc/80/44/70/562804470.db2.gz YKQDTKISERXWAN-UHFFFAOYSA-N -1 0 673.806 8.518 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000098085301 562805818 /nfs/dbraw/zinc/80/58/18/562805818.db2.gz XDJYAFLOPHBJRT-MUUNZHRXSA-N -1 0 519.663 7.427 1 0 KKAFRM CCCc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000098085303 562805830 /nfs/dbraw/zinc/80/58/30/562805830.db2.gz QDSLDBHRHAHSHX-MUUNZHRXSA-N -1 0 533.690 7.601 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc(C(=S)NCc3ccc(-c4ccnn4-c4ccc(Cl)c(Cl)c4)cc3)c(Cl)c2)o1 ZINC000098208052 562805975 /nfs/dbraw/zinc/80/59/75/562805975.db2.gz XXQKNGSPGDXDMG-UHFFFAOYSA-N -1 0 582.896 7.923 1 0 in-vitro KKAFRM Cc1ccc(-c2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)c2)c2ccccc12 ZINC000098208300 562805990 /nfs/dbraw/zinc/80/59/90/562805990.db2.gz DEQMGQKUTHTLOR-UHFFFAOYSA-N -1 0 509.583 7.107 1 0 in-vitro KKAFRM CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208289 562806027 /nfs/dbraw/zinc/80/60/27/562806027.db2.gz UQONPZNBMIQADI-NEUULRRLSA-N -1 0 556.508 5.470 1 0 in-vitro KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(=O)[O-])cn2)O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208288 562806031 /nfs/dbraw/zinc/80/60/31/562806031.db2.gz OTQRFDJHHZHHNT-OZLMZZSTSA-N -1 0 659.632 6.721 1 0 in-vitro KKAFRM COc1ccc([C@@H](c2oc3c(c2[O-])c(OC)cc(OC)c3Cl)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000101169910 562809583 /nfs/dbraw/zinc/80/95/83/562809583.db2.gz OSJRZMYTBINECU-DFHRPNOPSA-N -1 0 510.970 5.331 1 0 KKAFRM O=C([O-])[C@H]1CC[C@@H](COc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101208426 562809983 /nfs/dbraw/zinc/80/99/83/562809983.db2.gz VHJSCKJBRABOFP-QFBLVHQRSA-N -1 0 617.608 7.017 1 0 KKAFRM C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2/C=C/C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000101337534 562810341 /nfs/dbraw/zinc/81/03/41/562810341.db2.gz KFXHQWRXIHSFQV-XYYIANASSA-N -1 0 551.398 5.440 1 0 KKAFRM Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101419146 562810626 /nfs/dbraw/zinc/81/06/26/562810626.db2.gz VAHMHSTXFFNMNL-GDLZYMKVSA-N -1 0 612.604 7.204 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2cccc(Br)c2)c([O-])c2ccccc21 ZINC000101425599 562810658 /nfs/dbraw/zinc/81/06/58/562810658.db2.gz TTYJVAAAFMPNHL-LJAQVGFWSA-N -1 0 607.504 7.068 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000101489578 562811016 /nfs/dbraw/zinc/81/10/16/562811016.db2.gz NAVUENWUQYYRDV-DEOSSOPVSA-N -1 0 548.488 6.654 1 0 KKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C([O-])=C(C(=O)OC)S(=O)(=O)c4ccccc4)cc3OC)c2c1 ZINC000102199310 562812923 /nfs/dbraw/zinc/81/29/23/562812923.db2.gz VUJSISZEBJKNLY-JIYROHSKSA-N -1 0 618.752 6.051 1 0 KKAFRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(N(CCc1ccccc1)C1=NC[C@@H](C)S1)(C(F)(F)F)C(F)(F)F ZINC000102939850 562813619 /nfs/dbraw/zinc/81/36/19/562813619.db2.gz NMHAUEGEWDUFAM-MRXNPFEDSA-N -1 0 542.549 5.830 1 0 KKAFRM Cc1cccc(C)c1OC[C@H]1CC[C@@H](C(=O)Nc2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)CC1 ZINC000103025894 562814069 /nfs/dbraw/zinc/81/40/69/562814069.db2.gz ZIKKLAMFJKDYIA-FHWLQOOXSA-N -1 0 522.573 5.233 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(OC)c(OC)c1)c1ccc(Oc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169854 562814756 /nfs/dbraw/zinc/81/47/56/562814756.db2.gz JQASOANYWFFRAG-HTCWZNLXSA-N -1 0 547.629 5.884 1 0 KKAFRM CCOC(=O)C(=Cc1ccc(OC)c(OC)c1)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169850 562814773 /nfs/dbraw/zinc/81/47/73/562814773.db2.gz DYIIKUKGCMEQIB-WPUHHHFCSA-N -1 0 533.602 5.494 1 0 KKAFRM COC(=O)C(=Cc1cccc(OC)c1OC)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103170557 562814787 /nfs/dbraw/zinc/81/47/87/562814787.db2.gz SZDNHOVYAYHRDT-KZVLXBEFSA-N -1 0 519.575 5.104 1 0 KKAFRM O=C1CCCCCCCCCC[C@H](NC(=O)[N-]S(=O)(=O)[C@H]2CCCCCCCCCCC2=O)CCCO1 ZINC000103175676 562815086 /nfs/dbraw/zinc/81/50/86/562815086.db2.gz NXFWLMJETMAGNV-AHWVRZQESA-N -1 0 542.783 6.074 1 0 KKAFRM CCCCn1nc(C)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2ccccc2)cc1 ZINC000103188990 562815583 /nfs/dbraw/zinc/81/55/83/562815583.db2.gz UMZJPBPEFGZEKF-UHFFFAOYSA-N -1 0 503.624 5.748 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[nH]n2)cc1 ZINC000103215772 562817101 /nfs/dbraw/zinc/81/71/01/562817101.db2.gz QZKOUVUQAAFPGD-UHFFFAOYSA-N -1 0 524.654 5.394 1 0 KKAFRM Cc1cc([C@@H]2C[C@@H]2[C@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000103229934 562818051 /nfs/dbraw/zinc/81/80/51/562818051.db2.gz MAQRGNLQYZPEBN-KYPHJKQUSA-N -1 0 542.550 7.146 1 0 KKAFRM CCC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000103233051 562818427 /nfs/dbraw/zinc/81/84/27/562818427.db2.gz DDIHZTFUIFPFOO-OAQYLSRUSA-N -1 0 522.523 6.466 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)s2)NC1=S ZINC000103235548 562818728 /nfs/dbraw/zinc/81/87/28/562818728.db2.gz YVQOROYLJVNMMX-TVNWYLLRSA-N -1 0 503.432 5.475 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)C(=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)NC1=S ZINC000103237151 562819009 /nfs/dbraw/zinc/81/90/09/562819009.db2.gz QFPAMOOQTRDETL-TVNWYLLRSA-N -1 0 531.815 5.116 1 0 KKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)c1cccc2ccccc21 ZINC000103240149 562819413 /nfs/dbraw/zinc/81/94/13/562819413.db2.gz UCPBLSHCPJHPDF-JOCHJYFZSA-N -1 0 539.469 7.722 1 0 KKAFRM CCC[C@@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240751 562819510 /nfs/dbraw/zinc/81/95/10/562819510.db2.gz OCJLEXZRSBIUSL-HKBQPEDESA-N -1 0 527.596 6.142 1 0 KKAFRM CCCC[C@@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240755 562819517 /nfs/dbraw/zinc/81/95/17/562819517.db2.gz FWBFUJQLOWGANX-YTTGMZPUSA-N -1 0 541.623 6.532 1 0 KKAFRM CCCN(C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])C(=O)c1cccc(CCc2ccccc2)c1 ZINC000103242732 562819648 /nfs/dbraw/zinc/81/96/48/562819648.db2.gz ZWELVFMOZIRFJZ-SANMLTNESA-N -1 0 504.652 5.420 1 0 KKAFRM CC[C@@H](CS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243837 562819709 /nfs/dbraw/zinc/81/97/09/562819709.db2.gz XQBLZSNCUVVCBF-KWLZBDKBSA-N -1 0 526.482 5.355 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1)C(=O)[O-] ZINC000103250179 562820198 /nfs/dbraw/zinc/82/01/98/562820198.db2.gz YNDQRNMLFMGURO-MRXNPFEDSA-N -1 0 531.918 7.820 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)n1)C(=O)[O-] ZINC000103250135 562820239 /nfs/dbraw/zinc/82/02/39/562820239.db2.gz HXVCFWQPVFGPII-GOSISDBHSA-N -1 0 519.092 6.620 1 0 KKAFRM CCCc1[nH]c2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263763 562821796 /nfs/dbraw/zinc/82/17/96/562821796.db2.gz HQQXSUYKGASMSB-HKBQPEDESA-N -1 0 530.668 7.958 1 0 KKAFRM CCCn1nc2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263776 562821803 /nfs/dbraw/zinc/82/18/03/562821803.db2.gz HXPLAMBXLGASEL-SSEXGKCCSA-N -1 0 531.656 7.283 1 0 KKAFRM O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@@H]2c2cccs2)cc1 ZINC000103276994 562823237 /nfs/dbraw/zinc/82/32/37/562823237.db2.gz JYCMGFZEHOILAU-JYFHCDHNSA-N -1 0 530.700 5.561 1 0 KKAFRM O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@H]2c2cccs2)cc1 ZINC000103276992 562823238 /nfs/dbraw/zinc/82/32/38/562823238.db2.gz JYCMGFZEHOILAU-OZXSUGGESA-N -1 0 530.700 5.561 1 0 KKAFRM CCn1cc([C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000103296316 562824559 /nfs/dbraw/zinc/82/45/59/562824559.db2.gz IRSFNAANHUHAKL-HHHXNRCGSA-N -1 0 504.608 5.150 1 0 KKAFRM O=C([O-])C[C@@H]1OCCn2c3ccc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)cc3c(Cl)c21 ZINC000114896604 562828526 /nfs/dbraw/zinc/82/85/26/562828526.db2.gz JOZNBTAMWQQWLF-QFIPXVFZSA-N -1 0 507.936 7.096 1 0 KKAFRM O=C([O-])CNC(=O)c1ccc([C@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000115372252 562828845 /nfs/dbraw/zinc/82/88/45/562828845.db2.gz YTQLUZBGWZQARS-YADHBBJMSA-N -1 0 611.909 7.844 1 0 KKAFRM O=C([O-])c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cn1 ZINC000115371493 562828850 /nfs/dbraw/zinc/82/88/50/562828850.db2.gz WIPJMZDAHAGGLW-OALUTQOASA-N -1 0 555.845 8.123 1 0 KKAFRM O=C([O-])c1ccc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cn1 ZINC000115371491 562828856 /nfs/dbraw/zinc/82/88/56/562828856.db2.gz WIPJMZDAHAGGLW-RTBURBONSA-N -1 0 555.845 8.123 1 0 KKAFRM O=C([O-])CN(C1(c2ccc(-c3ccc(Cl)cc3Cl)cc2)CCC1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000118577558 562830367 /nfs/dbraw/zinc/83/03/67/562830367.db2.gz VHGKQLHJJUPOCF-UHFFFAOYSA-N -1 0 556.414 6.417 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])cc1 ZINC000135715432 562831046 /nfs/dbraw/zinc/83/10/46/562831046.db2.gz JHPSLFHGWGTITM-NAKRPHOHSA-N -1 0 540.616 6.036 1 0 KKAFRM Cc1ccc(COc2ccc(C[C@H](NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)[O-])cc2)cc1 ZINC000136317182 562831162 /nfs/dbraw/zinc/83/11/62/562831162.db2.gz SUGCTLMGWFHNMX-MHZLTWQESA-N -1 0 540.019 5.968 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccc3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000138959262 562832257 /nfs/dbraw/zinc/83/22/57/562832257.db2.gz NVQGSWNVCJNWAH-KNTRCKAVSA-N -1 0 605.735 7.291 1 0 KKAFRM Cc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1cccc2c1ccn2-c1ccccc1C(=O)[O-] ZINC000139477793 562832522 /nfs/dbraw/zinc/83/25/22/562832522.db2.gz AJTGBHBZGOFQSK-UHFFFAOYSA-N -1 0 525.612 6.897 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cncc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140210955 562832966 /nfs/dbraw/zinc/83/29/66/562832966.db2.gz ARMQEXPEPILDKM-XYYXAZEESA-N -1 0 619.214 6.310 1 0 KKAFRM Cc1cc2c(cc1[C@H](OCc1ccc(SC(F)(F)F)cc1)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000140683137 562833275 /nfs/dbraw/zinc/83/32/75/562833275.db2.gz KSBADTDMSYIHGK-HHHXNRCGSA-N -1 0 542.663 8.960 1 0 KKAFRM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000141258429 562833533 /nfs/dbraw/zinc/83/35/33/562833533.db2.gz SPJYYHRCQGVTHT-UHFFFAOYSA-N -1 0 572.050 5.692 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCc4ccc(C(=O)[O-])cc43)s2)c1 ZINC000142022149 562833907 /nfs/dbraw/zinc/83/39/07/562833907.db2.gz ZMSHGABGMAFUCJ-XMMPIXPASA-N -1 0 512.513 5.551 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142176893 562833995 /nfs/dbraw/zinc/83/39/95/562833995.db2.gz AYTXEKRLUZLIRO-DEOSSOPVSA-N -1 0 512.513 5.551 1 0 KKAFRM Cc1cc(Nc2cc(OC3CCCC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142193881 562834013 /nfs/dbraw/zinc/83/40/13/562834013.db2.gz KSASAGNLUPHYJX-SSEXGKCCSA-N -1 0 542.661 6.244 1 0 KKAFRM Cc1cc(Nc2cc(C3CCC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142211232 562834030 /nfs/dbraw/zinc/83/40/30/562834030.db2.gz NBFTVJLMSCIABA-GDLZYMKVSA-N -1 0 512.635 6.190 1 0 KKAFRM Cc1cc(Nc2cc(O[C@H]3CCOC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142347573 562834159 /nfs/dbraw/zinc/83/41/59/562834159.db2.gz CGPASJOJARANMP-LGGPFLRQSA-N -1 0 544.633 5.090 1 0 KKAFRM CC(C)(C)n1cc(CN2CC[C@@]3(C2)CN(c2ccc(C(=O)[O-])cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623543 562836492 /nfs/dbraw/zinc/83/64/92/562836492.db2.gz BKWNZAPXGXJSPH-HHHXNRCGSA-N -1 0 528.531 5.022 1 0 KKAFRM Cc1nc2ccc(CCCC(=O)N[C@H](Cc3ccc(-c4ccccc4)cc3)C[C@@H](C)C(=O)[O-])cc2s1 ZINC000145695876 562837510 /nfs/dbraw/zinc/83/75/10/562837510.db2.gz RTROYMXMLRVHBZ-IBVKSMDESA-N -1 0 500.664 6.433 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 ZINC000145936889 562837798 /nfs/dbraw/zinc/83/77/98/562837798.db2.gz FSZHJSDNFAWWHR-UHFFFAOYSA-N -1 0 519.523 6.251 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)N2CCCCC2)C2CC2)C1=O ZINC000147213553 562839161 /nfs/dbraw/zinc/83/91/61/562839161.db2.gz HLRWFQSMFDJFQQ-QXMDYEBFSA-N -1 0 607.600 6.126 1 0 KKAFRM CC[C@@H](c1ncccn1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000147282933 562839249 /nfs/dbraw/zinc/83/92/49/562839249.db2.gz YKFHMVNLZCJNBT-JVOXNHGTSA-N -1 0 512.437 6.473 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147371151 562839342 /nfs/dbraw/zinc/83/93/42/562839342.db2.gz GTJXZSWECBRXED-WRXSBIAOSA-N -1 0 556.078 6.009 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000148145592 562840336 /nfs/dbraw/zinc/84/03/36/562840336.db2.gz VKVMFEQRXMGIQT-UHFFFAOYSA-N -1 0 537.513 6.390 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(F)c2)cn1 ZINC000148226158 562840614 /nfs/dbraw/zinc/84/06/14/562840614.db2.gz RXLZUOCHKXNHJQ-UHFFFAOYSA-N -1 0 538.406 6.678 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000148258494 562840771 /nfs/dbraw/zinc/84/07/71/562840771.db2.gz BSONYMXGOVWMFY-UHFFFAOYSA-N -1 0 588.413 7.558 1 0 KKAFRM CS(=O)(=O)c1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)[O-])nc2)c1 ZINC000148330949 562841062 /nfs/dbraw/zinc/84/10/62/562841062.db2.gz DGQLXGHFQFSMGB-UHFFFAOYSA-N -1 0 564.063 5.289 1 0 KKAFRM CCCCC[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000148345672 562841094 /nfs/dbraw/zinc/84/10/94/562841094.db2.gz HFXHLNFJXQIPEB-WZZFPTNTSA-N -1 0 638.644 7.322 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cc(F)cc(F)c3)cc2)cn1 ZINC000148347096 562841114 /nfs/dbraw/zinc/84/11/14/562841114.db2.gz HIFUFEAVSBKYHS-UHFFFAOYSA-N -1 0 521.951 6.164 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000148438796 562841291 /nfs/dbraw/zinc/84/12/91/562841291.db2.gz PMGCBSXFWYFXPT-UHFFFAOYSA-N -1 0 521.951 6.164 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3C(F)(F)F)cc2)cn1 ZINC000148771007 562841761 /nfs/dbraw/zinc/84/17/61/562841761.db2.gz QFCSTVOVTJPITJ-UHFFFAOYSA-N -1 0 553.968 6.904 1 0 KKAFRM CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc4ccc(I)cc4c3)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl ZINC000150340709 562843151 /nfs/dbraw/zinc/84/31/51/562843151.db2.gz DKJBPPVETUSFTM-UHFFFAOYSA-N -1 0 866.222 7.952 1 0 in-vitro KKAFRM COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(=O)[O-])[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]2[C@@H](C)[C@@H](OC(C)=O)C[C@H]12 ZINC000150588656 562845989 /nfs/dbraw/zinc/84/59/89/562845989.db2.gz VOMOJHSXQJPCCP-BBZFSHILSA-N -1 0 802.826 5.280 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2ccc(-c3cccnc3)cc2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597061 562846753 /nfs/dbraw/zinc/84/67/53/562846753.db2.gz ZALFYELKEPOBLO-UHFFFAOYSA-N -1 0 782.201 6.322 1 0 KKAFRM CC(=O)Oc1cc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1C(=O)[O-] ZINC000150597668 562846790 /nfs/dbraw/zinc/84/67/90/562846790.db2.gz MXLQNCLPTUVOQV-UHFFFAOYSA-N -1 0 668.637 5.907 1 0 KKAFRM Cc1ccc(S(=O)(=O)CNC(=O)[C@H](c2ccc(OC[P@@](=O)([O-])O)cc2)N(CCc2c[nH]c3ccccc23)C(=O)c2cc(Br)cc(Br)c2[O-])cc1 ZINC000150603632 562847471 /nfs/dbraw/zinc/84/74/71/562847471.db2.gz MCOWYUIJBDATBV-HKBQPEDESA-N -1 0 849.491 6.195 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCN(C(=O)OC(C)(C)C)C(=O)[C@@H]2C1 ZINC000150604320 562847648 /nfs/dbraw/zinc/84/76/48/562847648.db2.gz NEMVTFSLQPBTAU-AXVSOIHHSA-N -1 0 655.748 5.757 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6Cl)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000150606307 562847932 /nfs/dbraw/zinc/84/79/32/562847932.db2.gz MKXLCUQMWAGKJU-KVDGGHBMSA-N -1 0 693.365 10.240 1 0 KKAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C)C(=O)[O-] ZINC000150622413 562848879 /nfs/dbraw/zinc/84/88/79/562848879.db2.gz UUWFTJGLQJXXED-AAIHVULCSA-N -1 0 847.382 6.743 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000161738878 562849205 /nfs/dbraw/zinc/84/92/05/562849205.db2.gz CVFQOKIBZTWREC-UDWBKMJLSA-N -1 0 763.983 5.644 1 0 KKAFRM O=C(NCCS(=O)(=O)[O-])c1ccc([C@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000163858611 562849444 /nfs/dbraw/zinc/84/94/44/562849444.db2.gz KCIHDFUMQGXFFF-PKTZIBPZSA-N -1 0 661.991 7.647 1 0 KKAFRM CS(=O)(=O)[N-]C(=O)c1ccc([C@@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000163876146 562849452 /nfs/dbraw/zinc/84/94/52/562849452.db2.gz RQKFFSAFDLENHQ-FCHUYYIVSA-N -1 0 631.965 7.719 1 0 KKAFRM O=C(NCCS(=O)(=O)[O-])c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000163858517 562849473 /nfs/dbraw/zinc/84/94/73/562849473.db2.gz KCIHDFUMQGXFFF-GOTSBHOMSA-N -1 0 661.991 7.647 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[O-])C[C@@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000164760184 562849711 /nfs/dbraw/zinc/84/97/11/562849711.db2.gz DGROTVCEUFXOSG-JDFJVJSLSA-N -1 0 667.228 6.075 1 0 KKAFRM COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)[N-]S(=O)(=O)C4(C)CC4)NC3=O)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000164794457 562849746 /nfs/dbraw/zinc/84/97/46/562849746.db2.gz DPXBWCMINVFLHU-UFPOUHGLSA-N -1 0 773.378 5.536 1 0 KKAFRM O=C([O-])C[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)Oc1ccc2c(c1)CCC2 ZINC000166248831 562850397 /nfs/dbraw/zinc/85/03/97/562850397.db2.gz JAYBMUAHCCPDIQ-VWLOTQADSA-N -1 0 505.998 5.384 1 0 KKAFRM CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC=C4[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@](C)(CO)[C@H]1O ZINC000169301505 562852928 /nfs/dbraw/zinc/85/29/28/562852928.db2.gz YNWZQUOHFYSDGT-WDJXHXDLSA-N -1 0 530.746 5.604 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 ZINC000169303644 562853239 /nfs/dbraw/zinc/85/32/39/562853239.db2.gz NNGGCCVTTBTMDO-UHFFFAOYSA-N -1 0 542.642 6.359 1 0 KKAFRM Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)[N-]N3C(=O)CS[C@@H]3c3ccc(Cl)cc3)nc12 ZINC000169307144 562853733 /nfs/dbraw/zinc/85/37/33/562853733.db2.gz JACJQEPVGJNOEK-MUUNZHRXSA-N -1 0 541.036 5.363 1 0 KKAFRM CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308588 562854139 /nfs/dbraw/zinc/85/41/39/562854139.db2.gz VDQLAKGBBNJZGE-GDLZYMKVSA-N -1 0 663.676 5.559 1 0 KKAFRM O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(I)cc(I)c1[O-] ZINC000169328437 562858355 /nfs/dbraw/zinc/85/83/55/562858355.db2.gz ZAOAVLFVSAJCBE-UHFFFAOYSA-N -1 0 591.570 6.299 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4nnnn4C4CCCCC4)c4ccc(F)cc4)CC3)c(F)cc2c1=O ZINC000169308630 562854167 /nfs/dbraw/zinc/85/41/67/562854167.db2.gz CEAMQZZYRASVCT-JGCGQSQUSA-N -1 0 707.704 6.448 1 0 KKAFRM CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308608 562854168 /nfs/dbraw/zinc/85/41/68/562854168.db2.gz SXHQMHQNTMQLON-LJAQVGFWSA-N -1 0 681.666 5.698 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2nc(CC(=O)[O-])cs2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309636 562854375 /nfs/dbraw/zinc/85/43/75/562854375.db2.gz XCRGKBIGLYHHMI-HEBVPBOISA-N -1 0 677.716 7.375 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169310580 562854832 /nfs/dbraw/zinc/85/48/32/562854832.db2.gz BNIWMFUACZLOPT-WRXSBIAOSA-N -1 0 572.533 6.523 1 0 KKAFRM O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(I)cc(I)c1[O-] ZINC000169328449 562858388 /nfs/dbraw/zinc/85/83/88/562858388.db2.gz IUHUYJVHOABGDI-UHFFFAOYSA-N -1 0 541.126 5.521 1 0 KKAFRM CC1=CC[C@@H]2CCCC[C@@H]2[C@H]1N1C(=O)[C@H]2[C@@H](C1=O)[C@]13C=C(C(C)C)[C@H]2C[C@@H]1[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC3 ZINC000169311925 562855245 /nfs/dbraw/zinc/85/52/45/562855245.db2.gz FMMMDNUMDFBOKC-WOQDAWLMSA-N -1 0 547.780 7.022 1 0 KKAFRM CN(C(=O)c1cc(I)cc(I)c1[O-])c1ccc(Oc2ccccc2)cc1 ZINC000169328426 562858392 /nfs/dbraw/zinc/85/83/92/562858392.db2.gz IPJOKQHNXOGTDE-UHFFFAOYSA-N -1 0 571.152 5.670 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCCS(=O)(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169313230 562855578 /nfs/dbraw/zinc/85/55/78/562855578.db2.gz VQDSZALDDISTPV-GSPICBFDSA-N -1 0 678.723 7.743 1 0 KKAFRM C[C@H](NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=NC23CCC(C(C)(C)C)CC3)cc1)c1nnn[n-]1 ZINC000169313232 562855606 /nfs/dbraw/zinc/85/56/06/562855606.db2.gz SSFDSCROUPZZIQ-SCMCWZEVSA-N -1 0 666.698 8.129 1 0 KKAFRM Cc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=[NH+]N2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000169334389 562859488 /nfs/dbraw/zinc/85/94/88/562859488.db2.gz WTDCITYAOVFRGK-WJOKGBTCSA-N -1 0 583.783 5.770 1 0 KKAFRM COc1ccc(-c2coc3cc(OCCN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6-c5ccc(F)cc5)CC4)cc(=O)c-3c2O)cc1 ZINC000169337482 562860093 /nfs/dbraw/zinc/86/00/93/562860093.db2.gz OFCFREKJJCUEPO-UHFFFAOYSA-N -1 0 695.675 5.656 1 0 KKAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)C3CCCC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343870 562861278 /nfs/dbraw/zinc/86/12/78/562861278.db2.gz LTXBOIQWSBBUNC-UHFFFAOYSA-N -1 0 610.821 5.132 1 0 KKAFRM CCn1c(CCCc2ccc(-c3ccc([N-]S(=O)(=O)c4ccccc4)nc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343883 562861309 /nfs/dbraw/zinc/86/13/09/562861309.db2.gz VCNWUXCYLQFCAQ-UHFFFAOYSA-N -1 0 609.796 6.449 1 0 KKAFRM COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)[O-])C4CC4)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000169346179 562861730 /nfs/dbraw/zinc/86/17/30/562861730.db2.gz QQCZDUGRRKGNPC-OZXSUGGESA-N -1 0 518.629 7.132 1 0 KKAFRM O=C([O-])c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(Oc7ccccc7F)cc6)c5c4)cc32)c1 ZINC000169348525 562862312 /nfs/dbraw/zinc/86/23/12/562862312.db2.gz SVGRTPDVPKCMFY-UHFFFAOYSA-N -1 0 566.632 8.989 1 0 KKAFRM O=C([O-])c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(C(F)(F)F)cc6)c5c4)cc32)c1 ZINC000169348522 562862313 /nfs/dbraw/zinc/86/23/13/562862313.db2.gz MGVHVQSZAIHMQG-UHFFFAOYSA-N -1 0 524.542 8.077 1 0 KKAFRM CC(C)Cc1ccc([C@H](C)C(=O)OC[C@H](OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)[C@@H]2OC(=O)C(O)=C2[O-])cc1 ZINC000169350038 562862717 /nfs/dbraw/zinc/86/27/17/562862717.db2.gz YLRTWOVRXHIUHH-JCLHTKIOSA-N -1 0 552.664 5.699 1 0 KKAFRM Cc1nc(-c2ccc(-c3ccncc3)cc2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)[O-] ZINC000169352748 562863244 /nfs/dbraw/zinc/86/32/44/562863244.db2.gz UJFPIBNJRKYTAR-HKBQPEDESA-N -1 0 522.645 7.360 1 0 KKAFRM COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000169352857 562863258 /nfs/dbraw/zinc/86/32/58/562863258.db2.gz JAGBNGLKOGHGPP-UHFFFAOYSA-N -1 0 549.027 5.666 1 0 KKAFRM O=C([O-])CCC(=O)OCC1(CO[C@@]2(c3ccc(Cl)cc3)c3c(cccc3Cl)C(=O)N2Cc2ccc(Br)cc2)CC1 ZINC000169699792 562867591 /nfs/dbraw/zinc/86/75/91/562867591.db2.gz PNBMTSWQBLBZDE-PMERELPUSA-N -1 0 647.349 6.818 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C ZINC000169700283 562867714 /nfs/dbraw/zinc/86/77/14/562867714.db2.gz BQSBUXFNJUOCGS-JOCHJYFZSA-N -1 0 546.495 6.133 1 0 KKAFRM C[C@@]1(C2CCCCC2)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169700294 562867717 /nfs/dbraw/zinc/86/77/17/562867717.db2.gz HTYBVPZUZATDHI-MUUNZHRXSA-N -1 0 544.479 5.368 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000169702703 562868563 /nfs/dbraw/zinc/86/85/63/562868563.db2.gz GNFVKVXPCKCYQR-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704412 562868951 /nfs/dbraw/zinc/86/89/51/562868951.db2.gz IPCWPMKGLFZOGM-SANMLTNESA-N -1 0 508.550 5.860 1 0 KKAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)COC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F ZINC000169710394 562870670 /nfs/dbraw/zinc/87/06/70/562870670.db2.gz MWQLTYPGCVGPCZ-SNVBAGLBSA-N -1 0 559.290 5.068 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2cc([Si](C)(C)C)sc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000170111590 562871484 /nfs/dbraw/zinc/87/14/84/562871484.db2.gz BKXAMFYITFYZJT-UHFFFAOYSA-N -1 0 602.858 6.051 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(F)(F)F)nc3)cc12 ZINC000199335844 562872933 /nfs/dbraw/zinc/87/29/33/562872933.db2.gz TXADUHCIFUMRQM-FQEVSTJZSA-N -1 0 571.599 7.576 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])c1 ZINC000200624594 562873368 /nfs/dbraw/zinc/87/33/68/562873368.db2.gz OFSFPJPNBYCWAS-IGKIAQTJSA-N -1 0 526.589 5.646 1 0 KKAFRM Nc1ccccc1COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])Cc3ccc(-c4ccc(Cl)cc4)cc3C2)cc1 ZINC000202318315 562873658 /nfs/dbraw/zinc/87/36/58/562873658.db2.gz PVHNREZPJQCDEL-HKBQPEDESA-N -1 0 527.020 5.449 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccc(Cl)s3)cc2C1 ZINC000202317304 562873661 /nfs/dbraw/zinc/87/36/61/562873661.db2.gz IRLJLIKWFVOFKG-LJAQVGFWSA-N -1 0 536.024 6.068 1 0 KKAFRM Cc1cc(-c2ccc(Cl)cc2)cn2cc(C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)[O-])nc12 ZINC000202317210 562873680 /nfs/dbraw/zinc/87/36/80/562873680.db2.gz PTCKWBHTDIXPNJ-MHZLTWQESA-N -1 0 540.019 5.968 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202320669 562873705 /nfs/dbraw/zinc/87/37/05/562873705.db2.gz OYMSSMFARJWZGA-RUZDIDTESA-N -1 0 526.980 5.054 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2cccc(F)c2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1 ZINC000202323393 562873731 /nfs/dbraw/zinc/87/37/31/562873731.db2.gz ZRNUWJSECRXGKP-HHHXNRCGSA-N -1 0 543.978 6.897 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)C3CC3)c(F)c2)c2ncc3ccccc3c2C2CC2)cc1 ZINC000203669308 562874063 /nfs/dbraw/zinc/87/40/63/562874063.db2.gz SZDZFJKNRBAWKN-UHFFFAOYSA-N -1 0 566.601 6.847 1 0 KKAFRM COc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c2ccccc21 ZINC000203665548 562874064 /nfs/dbraw/zinc/87/40/64/562874064.db2.gz MGBBEJWYTMWVHK-UHFFFAOYSA-N -1 0 546.523 5.544 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000205053475 562874898 /nfs/dbraw/zinc/87/48/98/562874898.db2.gz YLMYXHRYEGMGAK-HXUWFJFHSA-N -1 0 553.467 7.058 1 0 KKAFRM Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncns4)cc3F)cc12 ZINC000205537048 562875540 /nfs/dbraw/zinc/87/55/40/562875540.db2.gz CYBITNCPJFQMIJ-UHFFFAOYSA-N -1 0 535.941 5.453 1 0 KKAFRM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4nc(-c5ccc(C(=O)[O-])cc5)sc4C)o3)nc2s1 ZINC000205676735 562875663 /nfs/dbraw/zinc/87/56/63/562875663.db2.gz NAPYSXDOWLMEBA-UHFFFAOYSA-N -1 0 548.602 5.930 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)[O-])c2ccc(C(F)(F)F)nc12)C(=O)C1CC1 ZINC000205699435 562875678 /nfs/dbraw/zinc/87/56/78/562875678.db2.gz STKYUESDCUPRRF-UHFFFAOYSA-N -1 0 513.438 5.584 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cncc(C4CC4)c3)cc12 ZINC000205968117 562876003 /nfs/dbraw/zinc/87/60/03/562876003.db2.gz XBWZDNVXZYDHRJ-QFIPXVFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc12 ZINC000205970539 562876023 /nfs/dbraw/zinc/87/60/23/562876023.db2.gz XFBNSOFEWINXAL-UHFFFAOYSA-N -1 0 544.695 7.899 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(OC(F)(F)F)c3)cc12 ZINC000205973878 562876036 /nfs/dbraw/zinc/87/60/36/562876036.db2.gz ULDFXGIIGHXCHO-UHFFFAOYSA-N -1 0 572.583 7.500 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NC[C@H]3COc4ccccc4C3)cc12 ZINC000205975497 562876043 /nfs/dbraw/zinc/87/60/43/562876043.db2.gz MBGGATWAWMXBBU-VWLOTQADSA-N -1 0 544.651 6.653 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(F)(F)F)cc12 ZINC000205987880 562876076 /nfs/dbraw/zinc/87/60/76/562876076.db2.gz DUYBNDTYUWFXKQ-NRFANRHFSA-N -1 0 586.610 8.061 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C4CC4)nc3)cc12 ZINC000205987146 562876088 /nfs/dbraw/zinc/87/60/88/562876088.db2.gz OCMRCQQELDIZEH-QFIPXVFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(-c4ccccc4)cc3)cc12 ZINC000205991800 562876090 /nfs/dbraw/zinc/87/60/90/562876090.db2.gz XKNOKZFJZXAJGT-UHFFFAOYSA-N -1 0 564.685 8.269 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](CO)c3ccccc3)cc12 ZINC000205998254 562876093 /nfs/dbraw/zinc/87/60/93/562876093.db2.gz RPMOMJICIICUOA-PMERELPUSA-N -1 0 518.613 6.135 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc12 ZINC000205991632 562876120 /nfs/dbraw/zinc/87/61/20/562876120.db2.gz DJJBUAMECAYUCC-UHFFFAOYSA-N -1 0 564.685 8.191 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2ccncc2)c1 ZINC000206110510 562876290 /nfs/dbraw/zinc/87/62/90/562876290.db2.gz SMOITNGFALEXMK-UHFFFAOYSA-N -1 0 512.538 6.240 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])c1 ZINC000209370653 562876877 /nfs/dbraw/zinc/87/68/77/562876877.db2.gz PWZFOKWHYLVOCW-LSYYVWMOSA-N -1 0 540.616 6.036 1 0 KKAFRM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000211329203 562877076 /nfs/dbraw/zinc/87/70/76/562877076.db2.gz QCKNUULMQUKCGB-RGRQWMLTSA-N -1 0 783.141 6.759 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](Cc2ccc(Br)cc2)NC(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000211323516 562877086 /nfs/dbraw/zinc/87/70/86/562877086.db2.gz WDPPIULNYFKXCG-XLDNGHKCSA-N -1 0 762.723 6.414 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000211323277 562877100 /nfs/dbraw/zinc/87/71/00/562877100.db2.gz ACNZOBNVDMFAHH-XLDNGHKCSA-N -1 0 683.827 5.651 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000213122148 562877164 /nfs/dbraw/zinc/87/71/64/562877164.db2.gz VGXYGECPCDQSNI-OFSOJUDTSA-N -1 0 613.135 6.236 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2-n2ccnc2)c1 ZINC000215504238 562877378 /nfs/dbraw/zinc/87/73/78/562877378.db2.gz SWFJQYMBRRLTCS-UHFFFAOYSA-N -1 0 501.515 5.364 1 0 KKAFRM COc1nc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000215519915 562877423 /nfs/dbraw/zinc/87/74/23/562877423.db2.gz LHDUXFYCCLJXTC-UHFFFAOYSA-N -1 0 527.990 5.417 1 0 KKAFRM COc1cc(-c2ccc(-c3nccc4cc(S(=O)(=O)[N-]c5ccncn5)ccc43)c(OC)c2)ccc1F ZINC000215519174 562877435 /nfs/dbraw/zinc/87/74/35/562877435.db2.gz CEPNVOSNKMHHPC-UHFFFAOYSA-N -1 0 516.554 5.316 1 0 KKAFRM COc1cc(-c2cc(F)cc(F)c2)c(F)cc1-c1nccc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000215513981 562877445 /nfs/dbraw/zinc/87/74/45/562877445.db2.gz HHYGQXGPTBIGDW-UHFFFAOYSA-N -1 0 528.537 5.647 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000218129645 562877803 /nfs/dbraw/zinc/87/78/03/562877803.db2.gz RPNGLHUBZFJLRE-RPWUZVMVSA-N -1 0 534.454 6.488 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(Br)cc4F)c3c2)nc1 ZINC000218151479 562877852 /nfs/dbraw/zinc/87/78/52/562877852.db2.gz JQHLTAIOKGJPKW-PKTZIBPZSA-N -1 0 552.444 6.627 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000218261951 562877877 /nfs/dbraw/zinc/87/78/77/562877877.db2.gz MDVDIVZWVRHBPO-LEWJYISDSA-N -1 0 546.521 5.793 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4F)c3c2)nc1 ZINC000218151767 562877869 /nfs/dbraw/zinc/87/78/69/562877869.db2.gz WWLRDKURMACETQ-BJKOFHAPSA-N -1 0 538.417 6.093 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000219046121 562877983 /nfs/dbraw/zinc/87/79/83/562877983.db2.gz OEQZPFWOEOOISR-AKTKKGGCSA-N -1 0 747.882 7.155 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccoc3)c2)CCCC1 ZINC000219261125 562878002 /nfs/dbraw/zinc/87/80/02/562878002.db2.gz IPDSMHMBGGUXND-UHFFFAOYSA-N -1 0 557.650 7.659 1 0 KKAFRM C[C@](Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)(C(=O)[O-])c1ccccc1 ZINC000219432190 562878216 /nfs/dbraw/zinc/87/82/16/562878216.db2.gz HOQGGVVBUPYBCF-UUWRZZSWSA-N -1 0 606.520 7.559 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(Br)c2)CCCC1 ZINC000219536340 562878286 /nfs/dbraw/zinc/87/82/86/562878286.db2.gz URCKNBYHIXYPAV-UHFFFAOYSA-N -1 0 570.487 7.162 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Br)n3)cc12 ZINC000220434957 562878499 /nfs/dbraw/zinc/87/84/99/562878499.db2.gz QVYBBKLFLNUXHA-FQEVSTJZSA-N -1 0 582.498 7.320 1 0 KKAFRM CS(=O)(=O)Nc1ccc(-c2cccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@H]3CCCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000220525532 562878560 /nfs/dbraw/zinc/87/85/60/562878560.db2.gz QCVADDPVWVPATF-LQJZCPKCSA-N -1 0 660.796 7.609 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000220524377 562878568 /nfs/dbraw/zinc/87/85/68/562878568.db2.gz BCWNITZZYDQYSA-FTJBHMTQSA-N -1 0 559.588 7.589 1 0 KKAFRM CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCCC[C@H]1O[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000220956671 562878713 /nfs/dbraw/zinc/87/87/13/562878713.db2.gz LCQWPZMPNVZPDB-WYMJOSIYSA-N -1 0 601.674 5.165 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000221032011 562878724 /nfs/dbraw/zinc/87/87/24/562878724.db2.gz UTBADYWVJGFMEB-UHFFFAOYSA-N -1 0 695.897 6.663 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(-c3ccccc3)c2)c1 ZINC000221042554 562878747 /nfs/dbraw/zinc/87/87/47/562878747.db2.gz BKPNRKXXSDKCRM-UHFFFAOYSA-N -1 0 631.426 6.098 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(Br)cc4F)c3c2)nc1 ZINC000221567558 562879021 /nfs/dbraw/zinc/87/90/21/562879021.db2.gz JQHLTAIOKGJPKW-GOTSBHOMSA-N -1 0 552.444 6.627 1 0 KKAFRM CC(C)C[C@@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)C1 ZINC000224433718 562880437 /nfs/dbraw/zinc/88/04/37/562880437.db2.gz WCDFXVWDGHHCSI-HKBQPEDESA-N -1 0 550.627 6.787 1 0 in-vitro KKAFRM CC(C)[C@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)C1 ZINC000224440001 562880463 /nfs/dbraw/zinc/88/04/63/562880463.db2.gz DJIXMLDGVRLHIK-PMERELPUSA-N -1 0 536.600 6.397 1 0 KKAFRM O=C(c1cnc2c(S(=O)(=O)[N-]c3ncccn3)cnn2c1Nc1cc(Cl)ccc1Cl)N1CCC(c2ccc(F)cc2)CC1 ZINC000224743279 562880532 /nfs/dbraw/zinc/88/05/32/562880532.db2.gz GARGQGYDLMLQBM-UHFFFAOYSA-N -1 0 641.516 5.529 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2-c2ccncc2)c1 ZINC000225050137 562880678 /nfs/dbraw/zinc/88/06/78/562880678.db2.gz MYMRPRZDNVYAHJ-UHFFFAOYSA-N -1 0 512.538 6.240 1 0 KKAFRM COc1cc(-c2cc(C)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225121119 562880759 /nfs/dbraw/zinc/88/07/59/562880759.db2.gz NCSHKODKRSAKCS-UHFFFAOYSA-N -1 0 500.555 5.616 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1 ZINC000226034098 562880880 /nfs/dbraw/zinc/88/08/80/562880880.db2.gz HCBVSQDKTYZYKT-FCHUYYIVSA-N -1 0 514.504 5.120 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)c(F)c4)c3c2)n1 ZINC000226029103 562880882 /nfs/dbraw/zinc/88/08/82/562880882.db2.gz WXKKKRPRBJDHOI-UXHICEINSA-N -1 0 546.521 5.793 1 0 KKAFRM Cc1ccc(COc2cc3c(cc2Cl)nc([C@H]2CCCC[C@H]2C(=O)[O-])n3Cc2ccc(OC(F)(F)F)cc2F)nc1 ZINC000226050091 562880904 /nfs/dbraw/zinc/88/09/04/562880904.db2.gz CICGCHBRFUJEIR-LEWJYISDSA-N -1 0 591.989 7.417 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F)C(=O)[O-] ZINC000226038149 562880917 /nfs/dbraw/zinc/88/09/17/562880917.db2.gz ZOHJLDBHPSRSIK-UHFFFAOYSA-N -1 0 608.636 7.656 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4cccc(F)c4n3)ccc2n1Cc1ccc(Br)cc1 ZINC000226104836 562880965 /nfs/dbraw/zinc/88/09/65/562880965.db2.gz ZKHUMQAIJXTOGM-LOSJGSFVSA-N -1 0 588.477 7.472 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Cl)cc2Cl)[C@@H]1C(=O)[O-] ZINC000226101175 562880976 /nfs/dbraw/zinc/88/09/76/562880976.db2.gz BPVQSSISAYCJHP-RRPNLBNLSA-N -1 0 546.454 7.343 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cscn2)cc1)C(=O)[O-] ZINC000226115037 562880998 /nfs/dbraw/zinc/88/09/98/562880998.db2.gz QGIBAHLRRPKKJY-UHFFFAOYSA-N -1 0 548.668 6.989 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2cnccc2c1)C(=O)[O-] ZINC000226110601 562881005 /nfs/dbraw/zinc/88/10/05/562881005.db2.gz UAKKWVNCOMZQBF-UHFFFAOYSA-N -1 0 516.601 6.413 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226116486 562881012 /nfs/dbraw/zinc/88/10/12/562881012.db2.gz SMFNAUXRERWOAT-UHFFFAOYSA-N -1 0 598.703 7.470 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1OC(F)(F)F ZINC000226130535 562881019 /nfs/dbraw/zinc/88/10/19/562881019.db2.gz ZJIWOTHYEHYSNI-RPBOFIJWSA-N -1 0 575.587 7.469 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1 ZINC000226127188 562881026 /nfs/dbraw/zinc/88/10/26/562881026.db2.gz ZNJOXPRVZKICEZ-UIOOFZCWSA-N -1 0 575.587 7.469 1 0 KKAFRM Cc1ccccc1-c1ccc(Cn2c(CC(C)(C)C(=O)[O-])nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1 ZINC000226124606 562881036 /nfs/dbraw/zinc/88/10/36/562881036.db2.gz NBXYFPAUNXOXIF-UHFFFAOYSA-N -1 0 555.678 7.841 1 0 KKAFRM O=C(Cc1ccc(NC(=O)c2c[nH]c3ccccc23)c(Cl)c1)N1C[C@@H](F)C[C@H]1CO[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253679547 562882819 /nfs/dbraw/zinc/88/28/19/562882819.db2.gz XGNHXBRBECYIIH-TUFLPTIASA-N -1 0 556.034 5.215 1 0 KKAFRM CC(C)c1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc1 ZINC000253684661 562882853 /nfs/dbraw/zinc/88/28/53/562882853.db2.gz NHESOSRPJQSKDJ-DUYHBEBVSA-N -1 0 521.702 6.654 1 0 KKAFRM COc1ccc(/C=C\C(=O)[O-])c(OCc2cn(-c3ccc(NC(=O)c4ccccc4)cc3)nn2)c1CC=C(C)C ZINC000299824064 562883176 /nfs/dbraw/zinc/88/31/76/562883176.db2.gz AMIILCOJLXXQAT-WQRHYEAKSA-N -1 0 538.604 5.714 1 0 KKAFRM COc1cccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)C[C@@H](OC(=O)C=C(C)C)[C@]5(C(=O)[O-])CC[C@]34C)C2(C)C)c1 ZINC000299824536 562883270 /nfs/dbraw/zinc/88/32/70/562883270.db2.gz CJFLBULDBHDVQT-HNTWMIBOSA-N -1 0 688.946 9.595 1 0 KKAFRM COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3cccs3)cc2)cc1 ZINC000299824727 562883390 /nfs/dbraw/zinc/88/33/90/562883390.db2.gz LRWQEJAQCYTBLN-QFIPXVFZSA-N -1 0 538.676 5.684 1 0 KKAFRM CC(C)[C@@H](CS(=O)(=O)N1CCCC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299825231 562883508 /nfs/dbraw/zinc/88/35/08/562883508.db2.gz DTXORMFVVHILOQ-GCMXZSHTSA-N -1 0 595.589 5.982 1 0 KKAFRM Cc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3cccs3)cc2)cc1 ZINC000299825378 562883540 /nfs/dbraw/zinc/88/35/40/562883540.db2.gz MBAIZCVCYSZBMG-QFIPXVFZSA-N -1 0 522.677 5.984 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299825791 562883691 /nfs/dbraw/zinc/88/36/91/562883691.db2.gz FVOVISWXQXMSBW-HLONXGDCSA-N -1 0 624.903 9.073 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6cccc(OC)c6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299829045 562884686 /nfs/dbraw/zinc/88/46/86/562884686.db2.gz PHZJPIBTHYIHHP-HCCXQGLSSA-N -1 0 688.946 9.595 1 0 KKAFRM COc1cccc2c3c([nH]c21)C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@]42C)[C@@]1(C)C3 ZINC000299829421 562884871 /nfs/dbraw/zinc/88/48/71/562884871.db2.gz UQJHWWNAVRMRGY-WHUFRLSNSA-N -1 0 557.819 8.932 1 0 KKAFRM CCOC(=O)c1c(Cc2ccccc2)oc2cc(OC)c(OCc3nc4ccc(OS(=O)(=O)[O-])cc4s3)cc21 ZINC000299830163 562885158 /nfs/dbraw/zinc/88/51/58/562885158.db2.gz WXTIOOXJRWMLPQ-UHFFFAOYSA-N -1 0 569.613 5.579 1 0 KKAFRM C[C@]1(C(=O)[O-])CN(c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)c2c1c(Cl)ccc2O ZINC000299833899 562886313 /nfs/dbraw/zinc/88/63/13/562886313.db2.gz OFECMUPSNGJBAJ-QHCPKHFHSA-N -1 0 530.393 5.842 1 0 KKAFRM COc1ccc(C(=O)Nc2ccc(Oc3ccc(N(C(=O)[C@H]4CC[C@H](C)CC4)C(C)C)c(C(=O)[O-])c3)cc2)cc1 ZINC000299847448 562889918 /nfs/dbraw/zinc/88/99/18/562889918.db2.gz QTXXVFNPTKTUBW-AFARHQOCSA-N -1 0 544.648 7.006 1 0 KKAFRM CCOC(=O)c1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-] ZINC000299847682 562890022 /nfs/dbraw/zinc/89/00/22/562890022.db2.gz BDMOWEOVVCSLOV-UKIXHDIXSA-N -1 0 668.872 5.558 1 0 KKAFRM C[C@@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848666 562890300 /nfs/dbraw/zinc/89/03/00/562890300.db2.gz VBXNSOKXYNYHDV-MAADTABRSA-N -1 0 711.941 6.729 1 0 KKAFRM O=C([O-])C1CCN(c2ccc(Nc3ncc(C(=O)Nc4c(F)cccc4Cl)c(NC[C@H]4CCCO4)n3)cc2)CC1 ZINC000299852146 562890865 /nfs/dbraw/zinc/89/08/65/562890865.db2.gz OBUNCICRXATIOL-HXUWFJFHSA-N -1 0 569.037 5.157 1 0 KKAFRM COc1ccc(-n2c(-c3ccc(O)cc3)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000299855046 562891562 /nfs/dbraw/zinc/89/15/62/562891562.db2.gz AWRCPIJLDWVUIS-UHFFFAOYSA-N -1 0 642.713 5.051 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299857274 562892107 /nfs/dbraw/zinc/89/21/07/562892107.db2.gz FDMWQCMAAAAAIA-SZXQPVLSSA-N -1 0 613.673 7.233 1 0 KKAFRM COc1ccc(C2=NN(c3ccc(C(=O)[O-])cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299857296 562892172 /nfs/dbraw/zinc/89/21/72/562892172.db2.gz FFGCRJHDBSHTHB-XMMPIXPASA-N -1 0 544.604 5.959 1 0 KKAFRM COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21 ZINC000299857662 562892325 /nfs/dbraw/zinc/89/23/25/562892325.db2.gz OKWUAJNPQZHKEL-UHFFFAOYSA-N -1 0 515.975 5.076 1 0 KKAFRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccc(Cl)cc3)cc2)n1 ZINC000299857930 562892371 /nfs/dbraw/zinc/89/23/71/562892371.db2.gz FUUNNKUOYSTIJC-QQXSKIMKSA-N -1 0 612.067 5.489 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccccc5O)n(Cc5ccc(Cl)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299859019 562892565 /nfs/dbraw/zinc/89/25/65/562892565.db2.gz HEMGSBSTRYQADJ-UHFFFAOYSA-N -1 0 661.159 5.755 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)c(C)c(-c2ccc(F)cn2)n3C2CCCCC2)ccc1/C=C/C(=O)[O-] ZINC000299859609 562892789 /nfs/dbraw/zinc/89/27/89/562892789.db2.gz FZTGTPRMLNBLRK-QGOAFFKASA-N -1 0 627.717 6.695 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(Cl)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299861965 562893449 /nfs/dbraw/zinc/89/34/49/562893449.db2.gz IXGOMOBBXNXBLI-SFQUDFHCSA-N -1 0 630.145 6.590 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299862029 562893507 /nfs/dbraw/zinc/89/35/07/562893507.db2.gz JBCSSGQERVEKBD-NTCAYCPXSA-N -1 0 622.726 5.866 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccccc5O)n(Cc5ccc(F)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299866202 562894597 /nfs/dbraw/zinc/89/45/97/562894597.db2.gz VHOHXPLBXBARSJ-UHFFFAOYSA-N -1 0 644.704 5.241 1 0 KKAFRM COc1ccc(Cn2c(-c3cccc(O)c3)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000299866524 562894650 /nfs/dbraw/zinc/89/46/50/562894650.db2.gz WBYUUZAKDBFAAJ-UHFFFAOYSA-N -1 0 656.740 5.110 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)OCCOc6no[n+]([O-])c6S(=O)(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299866607 562894707 /nfs/dbraw/zinc/89/47/07/562894707.db2.gz PDDUDAJACTULQC-DILCGDDZSA-N -1 0 825.034 7.497 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N2CC(C(=O)[O-])C2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299868689 562895177 /nfs/dbraw/zinc/89/51/77/562895177.db2.gz SETAPPWUUITUNL-UNVYQVKTSA-N -1 0 663.664 5.982 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299868910 562895205 /nfs/dbraw/zinc/89/52/05/562895205.db2.gz SRBOXKZEGANLLS-SDNWHVSQSA-N -1 0 608.699 5.476 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299869013 562895242 /nfs/dbraw/zinc/89/52/42/562895242.db2.gz SYPCFOLBROHVAD-OUKQBFOZSA-N -1 0 658.159 5.914 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473087971 562897241 /nfs/dbraw/zinc/89/72/41/562897241.db2.gz MZAPCEDIBZJFHN-JGCGQSQUSA-N -1 0 628.691 8.905 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473091480 562897692 /nfs/dbraw/zinc/89/76/92/562897692.db2.gz YQWKQQFUAPWMJC-SSEXGKCCSA-N -1 0 713.675 9.280 1 0 KKAFRM Cc1cc(-n2cc3c(n2)CCCC3)ccc1[C@@H](CCC(F)(F)F)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000473100683 562898091 /nfs/dbraw/zinc/89/80/91/562898091.db2.gz JNFRSIVSORDPKM-ATIYNZHBSA-N -1 0 569.628 5.887 1 0 KKAFRM COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)[N-]c4nnc(C)s4)cc3)cc(C(=O)NCCc3ccccc3F)c2)cn1 ZINC000473132754 562900293 /nfs/dbraw/zinc/90/02/93/562900293.db2.gz VZZBNVUECPZBOU-UHFFFAOYSA-N -1 0 632.743 5.442 1 0 KKAFRM O=C([O-])c1ccc2[nH]c(=NCCCCOc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c3)sc2c1 ZINC000473154543 562902211 /nfs/dbraw/zinc/90/22/11/562902211.db2.gz IHYPYGQLWRZCEJ-UHFFFAOYSA-N -1 0 502.548 5.167 1 0 KKAFRM Cc1ccc2c(c1)c(C(=O)[O-])c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnn3)cc2Cl)(c2ccccc2)CC1 ZINC000473154933 562902311 /nfs/dbraw/zinc/90/23/11/562902311.db2.gz NBDSNPLEJYAVSO-MUUNZHRXSA-N -1 0 561.429 5.202 1 0 KKAFRM Cc1ncn(-c2cc(Cl)c(C(=O)N[C@]3(c4ccccc4)CCc4c(C(=O)[O-])c5cc(C)ccc5n4C3)c(Cl)c2)n1 ZINC000473155208 562902380 /nfs/dbraw/zinc/90/23/80/562902380.db2.gz QFZANDXOHZBYHY-SSEXGKCCSA-N -1 0 574.468 6.116 1 0 KKAFRM O=C([O-])[C@H](CCCn1cc(-c2ccc(Br)cc2)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000473169064 562903117 /nfs/dbraw/zinc/90/31/17/562903117.db2.gz LYHKQAFVCYVOFB-VWLOTQADSA-N -1 0 561.436 5.480 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1cc2cc(Cl)ccc2n1C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473200907 562903794 /nfs/dbraw/zinc/90/37/94/562903794.db2.gz KRUFHDINTNDWQK-UHFFFAOYSA-N -1 0 520.010 5.782 1 0 KKAFRM Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653661720 562905866 /nfs/dbraw/zinc/90/58/66/562905866.db2.gz AYFZHEZEOZYSCU-NDEPHWFRSA-N -1 0 620.678 5.617 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4OCc4ccccc4)ccc3O[C@H]2CO)ccc1O ZINC000653687479 562906524 /nfs/dbraw/zinc/90/65/24/562906524.db2.gz SNXNJCHNDFOVAZ-PIZIKKFZSA-N -1 0 660.675 6.911 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4OCc4ccccc4)ccc3O[C@@H]2CO)ccc1O ZINC000653687481 562906531 /nfs/dbraw/zinc/90/65/31/562906531.db2.gz SNXNJCHNDFOVAZ-ZLHGTEGGSA-N -1 0 660.675 6.911 1 0 KKAFRM COc1ccc(Cc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c2I)cc1OC ZINC000653714158 562908320 /nfs/dbraw/zinc/90/83/20/562908320.db2.gz GVSMWVPGPFKHTG-UHFFFAOYSA-N -1 0 528.799 5.341 1 0 KKAFRM CC(C)[C@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(OCCF)cc2)cc1)[P@@](=O)([O-])O ZINC000653716022 562908506 /nfs/dbraw/zinc/90/85/06/562908506.db2.gz UHXPHVQOXYZQPP-RUZDIDTESA-N -1 0 521.547 5.053 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721943 562908771 /nfs/dbraw/zinc/90/87/71/562908771.db2.gz PCAPKCSFYXIDLR-UGKGYDQZSA-N -1 0 500.732 5.481 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccoc2)cc(C)c1Cl ZINC000653726118 562909056 /nfs/dbraw/zinc/90/90/56/562909056.db2.gz CGDLPVKXRQHGMX-UHFFFAOYSA-N -1 0 592.501 5.186 1 0 KKAFRM CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000653727966 562909261 /nfs/dbraw/zinc/90/92/61/562909261.db2.gz BZDICYRSPZNHNV-LGSBFBEMSA-N -1 0 556.784 7.346 1 0 KKAFRM CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)[O-])[C@@]2(C)CCC3=C(CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000653730175 562909434 /nfs/dbraw/zinc/90/94/34/562909434.db2.gz FFHZCNIREJAVOS-CRTLAZRUSA-N -1 0 556.784 7.656 1 0 KKAFRM O=c1[n-]c2c(c3cc(-c4cccc(NS(=O)(=O)c5ccc(F)cc5)c4)ccc3oc2=O)n1-c1ccccc1 ZINC000653741184 562910215 /nfs/dbraw/zinc/91/02/15/562910215.db2.gz LWSCTDRCTFTDOV-UHFFFAOYSA-N -1 0 527.533 5.444 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653760123 562911248 /nfs/dbraw/zinc/91/12/48/562911248.db2.gz RBMFHULPMXEBFF-DEOSSOPVSA-N -1 0 545.683 7.244 1 0 KKAFRM CCCc1nc2c(cc(C(=O)N[C@@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653763501 562911485 /nfs/dbraw/zinc/91/14/85/562911485.db2.gz GOEQGNQJUPULCM-LJAQVGFWSA-N -1 0 547.655 6.174 1 0 KKAFRM CC1=C(C)[C@@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](OC(=O)CC(=O)[O-])C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000653782595 562912234 /nfs/dbraw/zinc/91/22/34/562912234.db2.gz OKJOASLJZNAUJH-RQDQFFMUSA-N -1 0 568.751 6.747 1 0 KKAFRM CCOc1ccc(-c2c(NC(=O)c3ccccc3)c(C(=O)[O-])nn2-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000653842136 562914933 /nfs/dbraw/zinc/91/49/33/562914933.db2.gz OMNHLSACIDVOIX-UHFFFAOYSA-N -1 0 519.557 6.681 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000653844306 562915071 /nfs/dbraw/zinc/91/50/71/562915071.db2.gz NBDYDLUJMPETDV-UHFFFAOYSA-N -1 0 739.217 6.106 1 0 KKAFRM C[C@H](CC(=O)[O-])NC(=O)c1ccc([C@@H](C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(c2)CCO3)cc1 ZINC000653847473 562915240 /nfs/dbraw/zinc/91/52/40/562915240.db2.gz BRBJPXYNJFCDKY-QZTJIDSGSA-N -1 0 564.469 6.661 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc3)ccc2c1 ZINC000653847533 562915261 /nfs/dbraw/zinc/91/52/61/562915261.db2.gz QPASRSVTPDZTHX-VQTJNVASSA-N -1 0 602.518 7.888 1 0 KKAFRM CCc1c(OC)cncc1N1C(=O)c2c(c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2Cl)C1=O ZINC000653852887 562915603 /nfs/dbraw/zinc/91/56/03/562915603.db2.gz BIZCMRZLYLYWDA-UHFFFAOYSA-N -1 0 528.030 5.205 1 0 KKAFRM COCCOCCOCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000653861630 562915991 /nfs/dbraw/zinc/91/59/91/562915991.db2.gz DTNFXYVJDSQTEZ-RRLKWQEHSA-N -1 0 616.880 7.464 1 0 KKAFRM O=C([O-])c1cccc([C@H]2C[C@](OCCO)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000653861187 562915999 /nfs/dbraw/zinc/91/59/99/562915999.db2.gz WMCDAJXORMHUQQ-VDVQIJNHSA-N -1 0 628.936 8.238 1 0 KKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H](O)CC[C@@H]2C=C3 ZINC000085489100 565124953 /nfs/dbraw/zinc/12/49/53/565124953.db2.gz YJZKYUDQQXABOO-QKDUKJCHSA-N -1 0 624.862 8.480 1 0 biogenic,in-vitro KKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5C(=O)C[C@]43C)[C@@H]2[C@@H]1C ZINC000100776738 571822457 /nfs/dbraw/zinc/82/24/57/571822457.db2.gz WTRSURIFLHBSLZ-ZWMMBRKLSA-N -1 0 574.802 8.133 1 0 endogenous,in-man KKAFRM COC(=O)[C@@]1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777956 571826109 /nfs/dbraw/zinc/82/61/09/571826109.db2.gz XINANDRKNJRDBH-KEKMECDTSA-N -1 0 516.719 5.358 1 0 endogenous,in-man KKAFRM C[C@@H]1[C@@H](C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000100783653 574412446 /nfs/dbraw/zinc/41/24/46/574412446.db2.gz FEVUQLLYZLSRLB-JTPCWIKBSA-N -1 0 618.855 8.030 1 0 endogenous,in-man KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095910209 291914127 /nfs/dbraw/zinc/91/41/27/291914127.db2.gz KWLOAKAXMOYBRK-UDXCERCISA-N -1 0 618.855 8.174 1 0 biogenic,in-vitro KKAFRM CO[C@@H]1[C@H]2C[C@@H]3C(C)(C)O[C@](C/C=C(/C)C(=O)[O-])(C2=O)[C@@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=CC(C)(C)O4 ZINC000095913748 291963626 /nfs/dbraw/zinc/96/36/26/291963626.db2.gz YWPUDSYPVZVGNW-XHPNYCGVSA-N -1 0 592.685 5.218 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@H]1C=CC[C@]4(CC[C@]56CC=C[C@@]4(CC2)[C@@]5(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@@H]62)[C@H]13 ZINC000085530826 291987415 /nfs/dbraw/zinc/98/74/15/291987415.db2.gz SLKVPRIBPTWMIZ-LYCLVPMMSA-N -1 0 520.754 7.128 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1CC=C2CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CC[C@@H]1Cc4ccccc4C(=O)[C@H]1C3)[C@H](CCCCCC[C@@H]1C=C(CO)CC1)C2 ZINC000150360665 291993016 /nfs/dbraw/zinc/99/30/16/291993016.db2.gz GSOHHWCFOYAACT-GTTLTBCOSA-N -1 0 726.998 9.188 1 0 biogenic,in-vitro KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000036351396 551089194 /nfs/dbraw/zinc/08/91/94/551089194.db2.gz VHURVYZHODPCCB-UHFFFAOYSA-N -1 0 566.485 7.394 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(Cl)cc2)cc1 ZINC000049878434 551089440 /nfs/dbraw/zinc/08/94/40/551089440.db2.gz MYFXPJIUHYQWRX-HSZRJFAPSA-N -1 0 559.009 7.061 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000003933429 551089652 /nfs/dbraw/zinc/08/96/52/551089652.db2.gz DRBYFBHVRFFBIU-HSZRJFAPSA-N -1 0 575.008 6.941 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000044350905 551089680 /nfs/dbraw/zinc/08/96/80/551089680.db2.gz BKFPJEBZTCJJRP-UHFFFAOYSA-N -1 0 580.109 7.578 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(C(F)(F)F)ccc2c1 ZINC000095117922 551089779 /nfs/dbraw/zinc/08/97/79/551089779.db2.gz QMZREIRRGCJPTH-SFHVURJKSA-N -1 0 626.462 8.510 1 0 KKAFRM CCCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2[C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)cc1Cl ZINC000095117926 551090106 /nfs/dbraw/zinc/09/01/06/551090106.db2.gz VEXHFZLCFRSPSZ-GOSISDBHSA-N -1 0 600.930 7.780 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 ZINC000049833190 551090250 /nfs/dbraw/zinc/09/02/50/551090250.db2.gz CTOLIBJXQJXWDY-UHFFFAOYSA-N -1 0 629.660 7.823 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000049833042 551090506 /nfs/dbraw/zinc/09/05/06/551090506.db2.gz FTBIQPJNXCTJIU-UHFFFAOYSA-N -1 0 648.228 9.631 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000001533737 561676631 /nfs/dbraw/zinc/67/66/31/561676631.db2.gz DHBXJMYACXFGDK-DFXYEROKSA-N -1 0 564.147 7.822 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000001534706 561676772 /nfs/dbraw/zinc/67/67/72/561676772.db2.gz UWFKZJIWHDTXTG-QFIPXVFZSA-N -1 0 597.180 8.674 1 0 in-vivo KKAFRM CC(C)(C)Sc1c2cc(OCc3cccnc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535724 561676807 /nfs/dbraw/zinc/67/68/07/561676807.db2.gz WWCSZUZAGBMLQG-UHFFFAOYSA-N -1 0 537.125 7.861 1 0 KKAFRM CC(C)c1csc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(Cl)cc2)n1 ZINC000001535807 561676812 /nfs/dbraw/zinc/67/68/12/561676812.db2.gz MMUIROFVAQDTLY-UHFFFAOYSA-N -1 0 585.235 9.046 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1c(F)cccc1C(F)(F)F ZINC000001996504 561680231 /nfs/dbraw/zinc/68/02/31/561680231.db2.gz XNQLPNVBNWPOSH-SFHVURJKSA-N -1 0 543.300 5.829 1 0 KKAFRM CC[C@@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1 ZINC000001910889 561680263 /nfs/dbraw/zinc/68/02/63/561680263.db2.gz OKUQEVHPQXKPCP-MHZLTWQESA-N -1 0 500.950 6.678 1 0 KKAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)s2)nc1 ZINC000002004403 561680361 /nfs/dbraw/zinc/68/03/61/561680361.db2.gz NZXFROYSERACSM-UHFFFAOYSA-N -1 0 571.750 5.582 1 0 KKAFRM COc1c(CC=C(C)C)c(O)c([C@@H](CC(C)C)c2c3c(c(O)c(C(C)=O)c2O)C[C@@H](C(C)(C)O)O3)c([O-])c1C(C)=O ZINC000001660719 561679135 /nfs/dbraw/zinc/67/91/35/561679135.db2.gz OUNVYFMBWBYCMV-CTNGQTDRSA-N -1 0 570.679 5.684 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000002004085 561680400 /nfs/dbraw/zinc/68/04/00/561680400.db2.gz DPEDHVVGXYCGHY-UHFFFAOYSA-N -1 0 525.638 5.507 1 0 KKAFRM CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000003817163 561682984 /nfs/dbraw/zinc/68/29/84/561682984.db2.gz TVEAXARFLUXLEB-SANMLTNESA-N -1 0 509.599 6.751 1 0 KKAFRM CCCc1c(Cc2cccnc2)cc2c(c1CCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000003828512 561683383 /nfs/dbraw/zinc/68/33/83/561683383.db2.gz POKWOOLRIKWDAS-HSZRJFAPSA-N -1 0 527.086 5.131 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000003925756 561686666 /nfs/dbraw/zinc/68/66/66/561686666.db2.gz DAFPGIVZPJVMTQ-NRFANRHFSA-N -1 0 534.226 6.941 1 0 in-vitro KKAFRM CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=C\CCCC(=O)[O-])c2cccnc2)c1 ZINC000003927201 561686781 /nfs/dbraw/zinc/68/67/81/561686781.db2.gz JILQVWNDRFJPRF-KIBLKLHPSA-N -1 0 604.510 5.629 1 0 KKAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000003932810 561687954 /nfs/dbraw/zinc/68/79/54/561687954.db2.gz DFVJFZOOMUFFGW-UIOOFZCWSA-N -1 0 602.559 5.257 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3cc(F)ccc3s2)c1 ZINC000003946070 561689889 /nfs/dbraw/zinc/68/98/89/561689889.db2.gz DIGAXEWBQSDRKZ-MGUPHCMFSA-N -1 0 575.771 8.495 1 0 KKAFRM O=C([O-])c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1CO2 ZINC000002022169 561680530 /nfs/dbraw/zinc/68/05/30/561680530.db2.gz JULVHFOZDXGLQL-QFIPXVFZSA-N -1 0 523.554 5.097 1 0 KKAFRM Cc1cc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)ccc1OCC(=O)[O-] ZINC000003949277 561690231 /nfs/dbraw/zinc/69/02/31/561690231.db2.gz KIIKIXRVFFFNJS-UHFFFAOYSA-N -1 0 548.296 7.207 1 0 KKAFRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(COc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 ZINC000003962731 561691297 /nfs/dbraw/zinc/69/12/97/561691297.db2.gz QFCQOXTUIKVTDA-UHFFFAOYSA-N -1 0 532.521 5.159 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c5ccccc5oc4C(=O)c4ccccc4)cc3)cc2C2CCCC2)cc1O ZINC000003981796 561692672 /nfs/dbraw/zinc/69/26/72/561692672.db2.gz PCUPDWBBPRVNPZ-UHFFFAOYSA-N -1 0 658.728 8.827 1 0 KKAFRM O=C1CS[C@@]2(CC(/C=C/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009743 561701702 /nfs/dbraw/zinc/70/17/02/561701702.db2.gz ASXJIUKCYSKBQT-SDXCAHGUSA-N -1 0 574.709 5.813 1 0 KKAFRM CCCCOc1ccc([C@H]2Oc3ccc(OCCCC)cc3C(c3ccc4c(c3)OCO4)=C2C(=O)[O-])cc1 ZINC000013473426 561714306 /nfs/dbraw/zinc/71/43/06/561714306.db2.gz XFVWMBBWQKJMOS-SSEXGKCCSA-N -1 0 516.590 6.793 1 0 KKAFRM CCCOC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] ZINC000012358139 561710277 /nfs/dbraw/zinc/71/02/77/561710277.db2.gz XIWMIXZBGBMMEE-NDEPHWFRSA-N -1 0 528.605 5.946 1 0 KKAFRM CCCc1c2onc(-c3ccccc3)c2ccc1OCCCCOc1ccc(CC(C)(C)C(=O)[O-])cc1 ZINC000012358244 561710323 /nfs/dbraw/zinc/71/03/23/561710323.db2.gz NNRIYLOVZFGUOR-UHFFFAOYSA-N -1 0 501.623 7.339 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1CCC ZINC000012358274 561710370 /nfs/dbraw/zinc/71/03/70/561710370.db2.gz HWZLQPWBZNJEHC-MUUNZHRXSA-N -1 0 519.663 7.256 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358522 561710582 /nfs/dbraw/zinc/71/05/82/561710582.db2.gz BWQAEQBADOVIBT-UUWRZZSWSA-N -1 0 533.624 7.403 1 0 KKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(c3cccc(C(F)(F)F)c3)CCCO2)C(=O)[O-])cc1 ZINC000013442292 561712726 /nfs/dbraw/zinc/71/27/26/561712726.db2.gz QOPWOWOFTXTVMY-HOFKKMOUSA-N -1 0 513.512 5.199 1 0 KKAFRM O=C([O-])[C@@H]1Cc2c(ncn2Cc2ccc3ccccc3c2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013446823 561713261 /nfs/dbraw/zinc/71/32/61/561713261.db2.gz GLPARGIKCOZULH-LJAQVGFWSA-N -1 0 501.586 5.255 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(F)c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000013761379 561727783 /nfs/dbraw/zinc/72/77/83/561727783.db2.gz ZFVODTPAFVMUMK-RMTZWNOUSA-N -1 0 512.666 5.600 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000013761380 561727784 /nfs/dbraw/zinc/72/77/84/561727784.db2.gz YPULLLFYLVWNFW-MVERNJQCSA-N -1 0 512.666 5.600 1 0 KKAFRM CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000013529507 561717559 /nfs/dbraw/zinc/71/75/59/561717559.db2.gz UXPYXAYLYNEFFP-SSEXGKCCSA-N -1 0 523.525 6.367 1 0 KKAFRM CN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000013529510 561717568 /nfs/dbraw/zinc/71/75/68/561717568.db2.gz UXPYXAYLYNEFFP-PMERELPUSA-N -1 0 523.525 6.367 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2cccc(C)c2)cc1-c1ccccc1)C(=O)[O-] ZINC000013533189 561717734 /nfs/dbraw/zinc/71/77/34/561717734.db2.gz WMPUAMJSUDYGQE-NDEPHWFRSA-N -1 0 528.678 5.455 1 0 KKAFRM CC(C)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761650 561727899 /nfs/dbraw/zinc/72/78/99/561727899.db2.gz TUHVTOYYHANQMW-MHZLTWQESA-N -1 0 521.679 6.471 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000013553339 561718458 /nfs/dbraw/zinc/71/84/58/561718458.db2.gz FIGYBSUGANAILY-NRFANRHFSA-N -1 0 507.211 6.094 1 0 KKAFRM CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761652 561728010 /nfs/dbraw/zinc/72/80/10/561728010.db2.gz OOAVNTQEOJWXBW-MHZLTWQESA-N -1 0 535.706 6.645 1 0 KKAFRM CCCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761709 561728144 /nfs/dbraw/zinc/72/81/44/561728144.db2.gz WINNFDUWGPPOBZ-QHCPKHFHSA-N -1 0 513.631 6.266 1 0 KKAFRM Cc1cc(C)c(-c2nc(C(=O)Nc3cccc(C(=O)[O-])c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 ZINC000013674723 561723872 /nfs/dbraw/zinc/72/38/72/561723872.db2.gz ZEGDFKWCWZUXQX-UHFFFAOYSA-N -1 0 511.666 7.101 1 0 KKAFRM CCCc1c2[nH]cc(C(=O)C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013678006 561724298 /nfs/dbraw/zinc/72/42/98/561724298.db2.gz GHGWDIVXERLYFN-UHFFFAOYSA-N -1 0 502.489 5.753 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCC[C@@H](C)CCOc1ccc2c(ccn2CC(=O)[O-])c1 ZINC000013677980 561724311 /nfs/dbraw/zinc/72/43/11/561724311.db2.gz CLHNZVNBTRJSNX-KRWDZBQOSA-N -1 0 518.532 6.713 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2[C@@H](CC)C(=O)[O-])c1 ZINC000013677992 561724317 /nfs/dbraw/zinc/72/43/17/561724317.db2.gz CDJPPWZBMMKNCB-FQEVSTJZSA-N -1 0 504.505 6.637 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2[C@H](CC)C(=O)[O-])c1 ZINC000013677994 561724335 /nfs/dbraw/zinc/72/43/35/561724335.db2.gz CDJPPWZBMMKNCB-HXUWFJFHSA-N -1 0 504.505 6.637 1 0 KKAFRM CCCCc1ncc(/C=C(\Cc2cccc(Oc3ccccc3)c2)C(=O)[O-])n1Cc1ccccc1Cl ZINC000013728127 561725142 /nfs/dbraw/zinc/72/51/42/561725142.db2.gz WEVNTHMLXUOYGL-LYBHJNIJSA-N -1 0 501.026 7.430 1 0 KKAFRM CCCCc1nc2c(cccc2NC(=O)NC2CCCCC2)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732035 561725315 /nfs/dbraw/zinc/72/53/15/561725315.db2.gz TXQAUIKPEDSUNE-UHFFFAOYSA-N -1 0 524.665 7.247 1 0 KKAFRM O=C([O-])c1cccc(/C=C(\c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)c1 ZINC000013733243 561725374 /nfs/dbraw/zinc/72/53/74/561725374.db2.gz FVCQVNNARRQDCP-OVVQPSECSA-N -1 0 519.022 5.543 1 0 KKAFRM Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1 ZINC000013747508 561726980 /nfs/dbraw/zinc/72/69/80/561726980.db2.gz YUFPFUGZFYYUCD-UHFFFAOYSA-N -1 0 508.684 6.302 1 0 KKAFRM Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1 ZINC000013747506 561727003 /nfs/dbraw/zinc/72/70/03/561727003.db2.gz DJVPPPPMZQVSRM-UHFFFAOYSA-N -1 0 502.721 7.282 1 0 KKAFRM CC(C)c1cc(C(C)C)c(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000013747527 561727006 /nfs/dbraw/zinc/72/70/06/561727006.db2.gz JGRYGNXPOROQSK-UHFFFAOYSA-N -1 0 503.705 7.716 1 0 KKAFRM CC(C)(C)c1cccc(C(C)(C)C)c1OC(=O)[N-]S(=O)(=O)NCC(c1ccccc1)c1ccccc1 ZINC000013747483 561727041 /nfs/dbraw/zinc/72/70/41/561727041.db2.gz ZPRYLFCNTALRMW-UHFFFAOYSA-N -1 0 508.684 6.037 1 0 KKAFRM COc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1 ZINC000013747568 561727131 /nfs/dbraw/zinc/72/71/31/561727131.db2.gz FPAYIQXVZJIBQY-UHFFFAOYSA-N -1 0 519.704 6.949 1 0 KKAFRM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000013756576 561727293 /nfs/dbraw/zinc/72/72/93/561727293.db2.gz KPHRDRFCGGZQJY-PZGXJGMVSA-N -1 0 529.658 6.424 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C=C/C(=O)[O-])cc2c(OCc3ccccc3)cccc12 ZINC000013758699 561727382 /nfs/dbraw/zinc/72/73/82/561727382.db2.gz ZDSYHEFKGLTDRM-DUAZVESASA-N -1 0 505.614 6.316 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1cc(OC)ccc1OC)O2 ZINC000013473418 561714335 /nfs/dbraw/zinc/71/43/35/561714335.db2.gz XNHPQQILQDYZFU-MUUNZHRXSA-N -1 0 504.535 5.632 1 0 KKAFRM O=C([O-])[C@@H](CCSCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000013803852 561731132 /nfs/dbraw/zinc/73/11/32/561731132.db2.gz JUPHQCOZPHPYPF-JOCHJYFZSA-N -1 0 520.470 5.171 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc2c(ccc(OCC(=O)[O-])c2Br)c1 ZINC000013806823 561731446 /nfs/dbraw/zinc/73/14/46/561731446.db2.gz AWIYACCIKYRHGM-UHFFFAOYSA-N -1 0 506.274 6.715 1 0 KKAFRM Cc1c2ccccc2cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013824731 561732810 /nfs/dbraw/zinc/73/28/10/561732810.db2.gz ICEDGHZZGCMRPD-RPBOFIJWSA-N -1 0 506.545 5.572 1 0 KKAFRM CCCSc1nnc(CSc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825605 561732871 /nfs/dbraw/zinc/73/28/71/561732871.db2.gz AFPHKCUEOXGHBP-UHFFFAOYSA-N -1 0 518.664 6.071 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2C)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825625 561733026 /nfs/dbraw/zinc/73/30/26/561733026.db2.gz KOSBNNTYXSDXNA-UHFFFAOYSA-N -1 0 514.651 6.220 1 0 KKAFRM CCCc1nc(-n2c(C)ccc2C)c(C=CC(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832378 561733515 /nfs/dbraw/zinc/73/35/15/561733515.db2.gz OANDTVCLOKGPIJ-WUKNDPDISA-N -1 0 507.598 5.236 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2cccs2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000013832963 561733728 /nfs/dbraw/zinc/73/37/28/561733728.db2.gz RXEJDISDIFCNNP-KRWDZBQOSA-N -1 0 526.123 7.674 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(OC)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000013833520 561733875 /nfs/dbraw/zinc/73/38/75/561733875.db2.gz OZBOUFMYIXXMMY-CZIZESTLSA-N -1 0 535.706 7.451 1 0 KKAFRM CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833910 561733948 /nfs/dbraw/zinc/73/39/48/561733948.db2.gz SWZKCXZALWKGGQ-UHFFFAOYSA-N -1 0 513.001 6.004 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1ccccc1C ZINC000013834054 561734096 /nfs/dbraw/zinc/73/40/96/561734096.db2.gz ITKQYYFEYRLELL-SSEXGKCCSA-N -1 0 513.682 7.077 1 0 KKAFRM CCC(CC)OC(=O)CCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013862795 561734813 /nfs/dbraw/zinc/73/48/13/561734813.db2.gz HAVNLBBNEXPRRU-UHFFFAOYSA-N -1 0 513.974 5.336 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3)o2)cc1-c1ccccc1)C(=O)[O-] ZINC000013864038 561735249 /nfs/dbraw/zinc/73/52/49/561735249.db2.gz MOKAEYICRSCJNS-MHZLTWQESA-N -1 0 515.631 6.267 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2c[nH]c(SCc3ccccc3)n2)c1OC ZINC000014254633 561738538 /nfs/dbraw/zinc/73/85/38/561738538.db2.gz ISGSQFRGZRJINW-JGCGQSQUSA-N -1 0 630.807 7.909 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)N(Cc2ccccc2)Cc2ccccc2)C(=O)[O-])cc1 ZINC000014946717 561744133 /nfs/dbraw/zinc/74/41/33/561744133.db2.gz VSCUBCGPKBGSHX-PMERELPUSA-N -1 0 579.763 5.677 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)C(C)(C)C)C(=O)[O-])cc1 ZINC000014946714 561744140 /nfs/dbraw/zinc/74/41/40/561744140.db2.gz VYHHUOJHTPBTJY-SVBPBHIXSA-N -1 0 544.758 5.286 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)C(c2ccccc2)c2ccccc2)C(=O)[O-])cc1 ZINC000014946712 561744173 /nfs/dbraw/zinc/74/41/73/561744173.db2.gz MBGZGGPCRBOQQG-NDEPHWFRSA-N -1 0 550.721 5.214 1 0 KKAFRM COc1cccc2sc(N[C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)c3nc4ccccc4[nH]3)nc21 ZINC000014955230 561747262 /nfs/dbraw/zinc/74/72/62/561747262.db2.gz YXMIQQYKUVRJOM-SIKLNZKXSA-N -1 0 533.635 5.308 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccc(Br)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955251 561747395 /nfs/dbraw/zinc/74/73/95/561747395.db2.gz VBHAFECWGPNXGH-RBBKRZOGSA-N -1 0 582.505 6.062 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963544 561749067 /nfs/dbraw/zinc/74/90/67/561749067.db2.gz PHYOEBQTFVMISA-QFIPXVFZSA-N -1 0 567.778 7.307 1 0 KKAFRM Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)[O-] ZINC000014963572 561749167 /nfs/dbraw/zinc/74/91/67/561749167.db2.gz MSQIJDHUHQACPZ-QFIPXVFZSA-N -1 0 513.808 6.596 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(C(=O)NCc3ccccc3)c2)c(Br)c1 ZINC000014969314 561750516 /nfs/dbraw/zinc/75/05/16/561750516.db2.gz BDZRTRUPSHKGPB-UHFFFAOYSA-N -1 0 535.188 5.267 1 0 KKAFRM COc1ccc(CCNC(=O)c2cc(Oc3c(Br)cc(CC(=O)[O-])cc3Br)ccc2O)cc1 ZINC000014969331 561750596 /nfs/dbraw/zinc/75/05/96/561750596.db2.gz DIKMHXCTJKLLMY-UHFFFAOYSA-N -1 0 579.241 5.318 1 0 KKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c4cccc(C(F)(F)F)c4ncc3[C@@H](O)c3ccccc3)c2)cc1 ZINC000014972517 561751580 /nfs/dbraw/zinc/75/15/80/561751580.db2.gz FLJYMVVOBYULHJ-HKBQPEDESA-N -1 0 542.557 7.242 1 0 KKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972492 561751627 /nfs/dbraw/zinc/75/16/27/561751627.db2.gz AVHJCISEWCJAIL-UHFFFAOYSA-N -1 0 526.558 7.751 1 0 KKAFRM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@H]1c1ccc(Cl)cc1 ZINC000016051341 561753707 /nfs/dbraw/zinc/75/37/07/561753707.db2.gz HQEQUYKKMMKSSX-WOJBJXKFSA-N -1 0 581.193 5.560 1 0 KKAFRM COc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CCCn2c3ccc(C(=O)[O-])cc3nc2-c2ccccc2)cc1 ZINC000017546086 561756254 /nfs/dbraw/zinc/75/62/54/561756254.db2.gz VJRZTVPLUYBHFF-UHFFFAOYSA-N -1 0 570.571 7.536 3 0 KKAFRM CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000017653583 561757077 /nfs/dbraw/zinc/75/70/77/561757077.db2.gz RHYZIJMRTYNJHW-RRPNLBNLSA-N -1 0 543.635 6.292 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)C(O)=CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000018355315 561758393 /nfs/dbraw/zinc/75/83/93/561758393.db2.gz WMHOHPBUWDUOLE-AREMUKBSSA-N -1 0 539.628 6.434 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)C[C@H](CCCCN1Cc2ccccc2C1=O)C(=O)[O-])C(=O)Nc1ccccc1 ZINC000024608115 561762353 /nfs/dbraw/zinc/76/23/53/561762353.db2.gz WSHMSPGZDPZGRV-GZYXPWJKSA-N -1 0 705.871 8.128 1 0 in-vitro KKAFRM CC[C@H](c1ccc(O)c(Br)c1)[C@H](CC)c1cc(Br)c([O-])c(Br)c1 ZINC000025966360 561763108 /nfs/dbraw/zinc/76/31/08/561763108.db2.gz CYHLJVJTZORJDH-CHWSQXEVSA-N -1 0 507.060 7.073 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)[n-]c2=O)c2ccccc2)c1 ZINC000025966552 561763113 /nfs/dbraw/zinc/76/31/13/561763113.db2.gz NVHQJAHMBXUCQV-ZVHZXABRSA-N -1 0 549.505 5.823 1 0 KKAFRM CC[C@@H](c1ccc(O)c(Br)c1)[C@@H](CC)c1cc(Br)c([O-])c(Br)c1 ZINC000025966353 561763162 /nfs/dbraw/zinc/76/31/62/561763162.db2.gz CYHLJVJTZORJDH-STQMWFEESA-N -1 0 507.060 7.073 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(=O)[O-] ZINC000025986939 561764350 /nfs/dbraw/zinc/76/43/50/561764350.db2.gz ZDFWMZOVILGQKY-HRHHFINDSA-N -1 0 575.725 6.887 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(=O)[O-] ZINC000025991810 561764792 /nfs/dbraw/zinc/76/47/92/561764792.db2.gz YQJZTTJHPABLHV-CMTIAEDTSA-N -1 0 523.718 6.034 1 0 KKAFRM Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(C(=O)NCCC(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000026173560 561770560 /nfs/dbraw/zinc/77/05/60/561770560.db2.gz DBBGXKSTFWBLQK-PMERELPUSA-N -1 0 555.719 5.172 1 0 KKAFRM CCCCCC[C@H](Oc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000026180206 561771487 /nfs/dbraw/zinc/77/14/87/561771487.db2.gz PADIVHKPYLHTDY-NDEPHWFRSA-N -1 0 542.632 6.661 1 0 KKAFRM CCCCCC[C@@H](Oc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000026179786 561771561 /nfs/dbraw/zinc/77/15/61/561771561.db2.gz YFBXBYGXHKOXOG-HHHXNRCGSA-N -1 0 571.501 7.221 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-n3cccn3)cc2)cc1 ZINC000026180940 561771715 /nfs/dbraw/zinc/77/17/15/561771715.db2.gz ZDFSYAOXTZGFDT-MUUNZHRXSA-N -1 0 538.648 5.339 1 0 KKAFRM O=C(c1ccccc1)c1ccc(OCc2ccc(C=C3SC(=S)NC3=O)cc2)c(Cc2ccccc2)c1[O-] ZINC000026280738 561778991 /nfs/dbraw/zinc/77/89/91/561778991.db2.gz QNSCNJZOPRCROG-IMRQLAEWSA-N -1 0 537.662 7.122 1 0 KKAFRM CCCCc1nc2ccccc2n1Cc1ccc(I)c([O-])c1I ZINC000026281192 561779007 /nfs/dbraw/zinc/77/90/07/561779007.db2.gz VNAIDXJADKGNQX-UHFFFAOYSA-N -1 0 532.163 5.342 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)c1cccnc1 ZINC000026289769 561780352 /nfs/dbraw/zinc/78/03/52/561780352.db2.gz NBEGSXJDADJYHX-UHFFFAOYSA-N -1 0 592.674 5.315 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccc(F)cc2)cc1)C(C)(C)C ZINC000026392937 561786144 /nfs/dbraw/zinc/78/61/44/561786144.db2.gz IKJQAKILPMDYQE-LMSSTIIKSA-N -1 0 566.654 5.713 1 0 KKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OCCCc3ccccc3)c2c1 ZINC000026498627 561794933 /nfs/dbraw/zinc/79/49/33/561794933.db2.gz MOHAOGASXUZYPX-VWLOTQADSA-N -1 0 526.677 7.554 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCCCOc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026396442 561787163 /nfs/dbraw/zinc/78/71/63/561787163.db2.gz WNJWSNXIZOSCTK-IGYGKHONSA-N -1 0 592.717 6.190 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026397381 561787419 /nfs/dbraw/zinc/78/74/19/561787419.db2.gz BMWLPSHBOYUODM-SFTDATJTSA-N -1 0 643.332 5.684 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(F)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026401021 561788296 /nfs/dbraw/zinc/78/82/96/561788296.db2.gz ZEVIMTDFAJSFBC-LMSSTIIKSA-N -1 0 566.654 5.713 1 0 KKAFRM CCC[C@H](Oc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000026466679 561789890 /nfs/dbraw/zinc/78/98/90/561789890.db2.gz RQFIOXPFEDCKHA-XIFFEERXSA-N -1 0 629.266 10.355 1 0 KKAFRM CC(C)(C)Sc1c2ccc(OCc3ccc4ccccc4n3)cc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026477421 561791305 /nfs/dbraw/zinc/79/13/05/561791305.db2.gz CVPVIKPPRAAJMA-UHFFFAOYSA-N -1 0 587.185 9.014 1 0 KKAFRM Cc1nc2ccc(COc3ccc4c(c3)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n4Cc3ccc(Cl)cc3)cc2s1 ZINC000026478560 561791403 /nfs/dbraw/zinc/79/14/03/561791403.db2.gz PNEARVPJFRJSAQ-UHFFFAOYSA-N -1 0 607.241 9.384 1 0 KKAFRM COc1cc(F)cc(-c2ccc([C@@H](CC(=O)[O-])NC(=O)[C@]3(C)CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000026478311 561791436 /nfs/dbraw/zinc/79/14/36/561791436.db2.gz BIZZEWFECZFFMI-NAKRPHOHSA-N -1 0 609.503 5.684 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1 ZINC000026494406 561794006 /nfs/dbraw/zinc/79/40/06/561794006.db2.gz LBXUJEDKVBNQHM-XIFFEERXSA-N -1 0 645.756 5.638 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccc(C3(O)CCC3)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026570243 561798028 /nfs/dbraw/zinc/79/80/28/561798028.db2.gz MHHBMEJREHQZQU-LUHYECIISA-N -1 0 638.682 9.807 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)CCCC(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026572283 561798248 /nfs/dbraw/zinc/79/82/48/561798248.db2.gz FXVZPGYGCKNSJZ-UHFFFAOYSA-N -1 0 630.957 10.363 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CC[P@](C)(=O)[O-])c1ccccc1 ZINC000026574020 561798700 /nfs/dbraw/zinc/79/87/00/561798700.db2.gz YJJZLIOHRPPHJA-YFQWSKTNSA-N -1 0 648.741 5.284 1 0 KKAFRM O=C(Cc1c[nH]c2ccccc12)NCCCCCCCCCCCCO[P@](=O)([O-])Oc1ccccc1Cl ZINC000026575314 561799158 /nfs/dbraw/zinc/79/91/58/561799158.db2.gz RSZZTBQOKLFTIG-UHFFFAOYSA-N -1 0 549.048 7.577 1 0 KKAFRM CCCCCCn1c(-c2ccc(C(=O)[O-])cc2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1 ZINC000026577582 561801838 /nfs/dbraw/zinc/80/18/38/561801838.db2.gz DZPCKMPBIZMKTB-UHFFFAOYSA-N -1 0 510.682 7.295 1 0 KKAFRM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000026578940 561803934 /nfs/dbraw/zinc/80/39/34/561803934.db2.gz BVCSSFYDTBHIHO-HKBQPEDESA-N -1 0 617.706 6.553 1 0 KKAFRM CC(C)C(=O)Oc1cccc(OC(=O)C(C)C)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026648651 561807914 /nfs/dbraw/zinc/80/79/14/561807914.db2.gz ZYGZRMMSJAKXOS-UXCMTWRGSA-N -1 0 733.667 6.139 1 0 KKAFRM CSc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026652163 561808632 /nfs/dbraw/zinc/80/86/32/561808632.db2.gz SATRONDTGPPWOY-CUBQBAPOSA-N -1 0 607.581 5.738 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(-c4ccccc4)cn2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026665896 561811125 /nfs/dbraw/zinc/81/11/25/561811125.db2.gz UKRIITYTIWNBRT-SANMLTNESA-N -1 0 639.821 9.083 1 0 KKAFRM COc1cccc(Cn2c3ccc(OCc4ccc(-c5ccccc5)cn4)c4c3c(c2CC(C)(C)C(=O)[O-])S[C@@H](C)C4)c1 ZINC000026667965 561811596 /nfs/dbraw/zinc/81/15/96/561811596.db2.gz RBBJYTRZLITXEF-QHCPKHFHSA-N -1 0 592.761 8.029 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(=O)[O-])c3S1 ZINC000026668001 561811604 /nfs/dbraw/zinc/81/16/04/561811604.db2.gz BGGAKBUOKVKQCT-HXUWFJFHSA-N -1 0 555.099 7.648 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)n1 ZINC000026668775 561811899 /nfs/dbraw/zinc/81/18/99/561811899.db2.gz SQHUBOCKWBVIDO-OFSOJUDTSA-N -1 0 576.575 5.024 1 0 KKAFRM C[C@@H](S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)[C@H](C)C(=O)[O-] ZINC000026723618 561815551 /nfs/dbraw/zinc/81/55/51/561815551.db2.gz LXIAQEGNVCWRGS-FDVVJICGSA-N -1 0 574.186 8.802 1 0 KKAFRM C[C@@H](S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)[C@@H](C)C(=O)[O-] ZINC000026725628 561815918 /nfs/dbraw/zinc/81/59/18/561815918.db2.gz LXIAQEGNVCWRGS-NRTXGUCYSA-N -1 0 574.186 8.802 1 0 KKAFRM C/C(=C\C(=O)Nc1ccc(C)cc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026726481 561815919 /nfs/dbraw/zinc/81/59/19/561815919.db2.gz RBHJWANDTDNSSZ-WNAAXNPUSA-N -1 0 558.678 7.873 1 0 KKAFRM C[C@@](Cc1ccc(Br)cc1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026727820 561816319 /nfs/dbraw/zinc/81/63/19/561816319.db2.gz HMGDEYJMBGQTPV-ZJZADLQNSA-N -1 0 597.550 5.457 1 0 KKAFRM COc1ccc(CCOC(c2ccc(C)cc2)(c2ccc(C)cc2)[C@H](Oc2nc3c(c(OC)n2)COC3)C(=O)[O-])cc1 ZINC000026826220 561822053 /nfs/dbraw/zinc/82/20/53/561822053.db2.gz TZPUDTSXRNOQNK-GDLZYMKVSA-N -1 0 570.642 5.176 1 0 KKAFRM C/C(=C\C(=O)Nc1ccc(F)cc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026740974 561818109 /nfs/dbraw/zinc/81/81/09/561818109.db2.gz HHLWPJXXCJLTDS-DARPEHSRSA-N -1 0 562.641 7.704 1 0 KKAFRM Cc1c2ccccc2cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026745345 561818680 /nfs/dbraw/zinc/81/86/80/561818680.db2.gz ICEDGHZZGCMRPD-JWQCQUIFSA-N -1 0 506.545 5.572 1 0 KKAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2CC(=O)[O-])CC[C@H]1c1ccccc1 ZINC000026745459 561818773 /nfs/dbraw/zinc/81/87/73/561818773.db2.gz GQDGVXCYXSVAAW-GEIIOTBESA-N -1 0 609.723 5.513 1 0 KKAFRM CO[P@]([O-])(=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cc(Cl)cc1C(C)C ZINC000026752812 561819938 /nfs/dbraw/zinc/81/99/38/561819938.db2.gz BZACSDGWJPJFEX-DIPNUNPCSA-N -1 0 550.120 9.449 1 0 KKAFRM CCc1ccc(C(OCCc2ccc(OC)cc2)(c2ccc(CC)cc2)[C@@H](Oc2nc(C)cc(OC)n2)C(=O)[O-])cc1 ZINC000026821546 561821171 /nfs/dbraw/zinc/82/11/71/561821171.db2.gz BWMGPBPXTCNARL-HKBQPEDESA-N -1 0 570.686 5.962 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@H]2[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000026823031 561821425 /nfs/dbraw/zinc/82/14/25/561821425.db2.gz UCTXVHZMOAZHBQ-GCRSFRQPSA-N -1 0 598.744 5.962 1 0 KKAFRM CNC(=O)c1c(C)nc(C)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026838230 561825028 /nfs/dbraw/zinc/82/50/28/561825028.db2.gz GKSWZCQPOZLNQO-UHFFFAOYSA-N -1 0 585.402 5.345 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)c3cccc(OC)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026984986 561831755 /nfs/dbraw/zinc/83/17/55/561831755.db2.gz DGJQLSJCNGPQKI-AYBNWLFXSA-N -1 0 551.705 6.467 1 0 KKAFRM C[C@@H](CC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)[O-] ZINC000026987404 561832111 /nfs/dbraw/zinc/83/21/11/561832111.db2.gz ACYVXXNWHUCEEM-VWLOTQADSA-N -1 0 568.673 8.184 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1I ZINC000027079231 561834726 /nfs/dbraw/zinc/83/47/26/561834726.db2.gz VDDYVFMQYDQDHX-NRFANRHFSA-N -1 0 598.662 6.045 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000027079743 561834904 /nfs/dbraw/zinc/83/49/04/561834904.db2.gz XZTXNBROXZPDOS-FQEVSTJZSA-N -1 0 541.656 6.748 1 0 KKAFRM CCC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2Cl)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-] ZINC000027095686 561837960 /nfs/dbraw/zinc/83/79/60/561837960.db2.gz YBCOLDZJIQRIAS-DPLXQVNQSA-N -1 0 634.173 5.243 1 0 KKAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2Cl)c2ccccc2C(=O)C[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000027108207 561840682 /nfs/dbraw/zinc/84/06/82/561840682.db2.gz HIKILWIEQVTPAB-HDNRZVLLSA-N -1 0 634.173 5.241 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC000027196185 561844473 /nfs/dbraw/zinc/84/44/73/561844473.db2.gz IGOWKCVUJOXVRU-DHUJRADRSA-N -1 0 591.752 8.561 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1cccc(-c2ccccc2)c1 ZINC000027201108 561845243 /nfs/dbraw/zinc/84/52/43/561845243.db2.gz GQTDZNGWCLHZAD-DHUJRADRSA-N -1 0 575.753 8.436 1 0 KKAFRM O=C([O-])[C@H]1[C@H](CN2NNc3ccsc3C2=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000027300154 561848912 /nfs/dbraw/zinc/84/89/12/561848912.db2.gz IHWAKJKUYYZNCF-NDXORKPFSA-N -1 0 500.045 5.628 1 0 KKAFRM O=C([O-])CCC/C=C(\c1ccc(CCN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000027309277 561850382 /nfs/dbraw/zinc/85/03/82/561850382.db2.gz CDEOOMRKYGZADT-VNTWQREPSA-N -1 0 575.130 6.855 1 0 KKAFRM O=C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000027329311 561854465 /nfs/dbraw/zinc/85/44/65/561854465.db2.gz NCVYRWMFWRCYRV-UHFFFAOYSA-N -1 0 556.614 6.744 1 0 KKAFRM CCCc1c(OCCCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)[O-] ZINC000027440998 561860759 /nfs/dbraw/zinc/86/07/59/561860759.db2.gz DXJMTNBSZPLOKH-UHFFFAOYSA-N -1 0 572.673 8.832 1 0 KKAFRM CCCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)[O-] ZINC000027518481 561862386 /nfs/dbraw/zinc/86/23/86/561862386.db2.gz VZLISDKPNXNRGN-UHFFFAOYSA-N -1 0 558.646 8.442 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccccn2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027518901 561862768 /nfs/dbraw/zinc/86/27/68/561862768.db2.gz UEWUUNANMOHXIH-FQEVSTJZSA-N -1 0 587.166 8.344 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2cc4ccccc4cn2)n(Cc2ccc(Cl)cc2)c(CSc2ccccc2C(=O)[O-])c3S1 ZINC000027521202 561863937 /nfs/dbraw/zinc/86/39/37/561863937.db2.gz HPKQNZGKDGRORX-JOCHJYFZSA-N -1 0 637.226 9.497 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2cccc(F)c2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027521372 561864070 /nfs/dbraw/zinc/86/40/70/561864070.db2.gz CAELMPCMIFMYML-AREMUKBSSA-N -1 0 658.795 8.755 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000027523625 561865081 /nfs/dbraw/zinc/86/50/81/561865081.db2.gz BRMJNEYUMHYBOP-OKGRURTHSA-N -1 0 560.159 8.414 1 0 KKAFRM CCc1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)ccc1C ZINC000027523590 561865119 /nfs/dbraw/zinc/86/51/19/561865119.db2.gz WMNXRPRPIGXCDK-NSQLZQESSA-N -1 0 543.773 8.012 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2ccccc2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000027555711 561869455 /nfs/dbraw/zinc/86/94/55/561869455.db2.gz MRFJHLGKGUJDAA-HHHXNRCGSA-N -1 0 571.655 5.284 1 0 KKAFRM COc1ccc(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)[O-])c4cccnc4)cc3)n2)cc1 ZINC000027624281 561872946 /nfs/dbraw/zinc/87/29/46/561872946.db2.gz STXGLNVWWYTFOV-HIUVJMHLSA-N -1 0 539.632 6.185 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCCOc3ccccc3)co2)cc1)c1cccnc1 ZINC000027625155 561873149 /nfs/dbraw/zinc/87/31/49/561873149.db2.gz LACPPBQCKQXQIH-IPPBACCNSA-N -1 0 553.659 6.792 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N(Cc1cc2c(cc1Cl)OCO2)Cc1cc2c(cc1Cl)OCO2 ZINC000027645431 561875763 /nfs/dbraw/zinc/87/57/63/561875763.db2.gz NERFPSPHIWEUJG-QFIPXVFZSA-N -1 0 541.387 5.630 1 0 KKAFRM CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000027650510 561876547 /nfs/dbraw/zinc/87/65/47/561876547.db2.gz IHPHOLWJEHZAOF-VAVYLYDRSA-N -1 0 528.693 5.711 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)Cc1cn(CCCn2ccc3ccccc32)c2ccccc12 ZINC000027653511 561877017 /nfs/dbraw/zinc/87/70/17/561877017.db2.gz AQFXCYMOONYBKS-UHFFFAOYSA-N -1 0 529.725 7.331 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nnn(C)n3)c(Br)c2c1 ZINC000027654988 561877311 /nfs/dbraw/zinc/87/73/11/561877311.db2.gz PNBSOSZTSGJHPN-UHFFFAOYSA-N -1 0 569.847 5.992 1 0 KKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000027656628 561877630 /nfs/dbraw/zinc/87/76/30/561877630.db2.gz AVTOGTIFKTWLLN-HHHXNRCGSA-N -1 0 508.574 6.044 1 0 KKAFRM CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027657906 561878276 /nfs/dbraw/zinc/87/82/76/561878276.db2.gz IRLNKXAOESAHHJ-UHFFFAOYSA-N -1 0 535.069 6.565 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O[C@@H](C)OC(=O)C(C)(C)C)O[C@@H](C)OC(=O)C(C)(C)C)S(=O)(=O)[O-] ZINC000027727306 561880992 /nfs/dbraw/zinc/88/09/92/561880992.db2.gz LEZBAZZYWXDJPL-RIXQATMMSA-N -1 0 664.839 8.887 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccccc3F)c(I)c2CN1C(=O)c1cccnc1Cl ZINC000027730454 561881295 /nfs/dbraw/zinc/88/12/95/561881295.db2.gz PPOBALZFKBFGGC-SFHVURJKSA-N -1 0 692.650 5.314 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000027735422 561881762 /nfs/dbraw/zinc/88/17/62/561881762.db2.gz SBVDFPKSALYSTP-LQSXVRBWSA-N -1 0 555.675 5.147 1 0 KKAFRM O=C([O-])CCCC(=O)Nc1cccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000027866319 561887746 /nfs/dbraw/zinc/88/77/46/561887746.db2.gz LANNUTDYLRCCFT-MGBGTMOVSA-N -1 0 591.620 6.138 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C2(O)CCCCC2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027844172 561885381 /nfs/dbraw/zinc/88/53/81/561885381.db2.gz PCCXFDJNOPAWDJ-CRAHCDMOSA-N -1 0 544.717 6.315 1 0 KKAFRM O=S(=O)([N-]c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 ZINC000027847914 561885655 /nfs/dbraw/zinc/88/56/55/561885655.db2.gz MHHVHHXUMOLHOJ-NRFANRHFSA-N -1 0 563.529 5.093 1 0 KKAFRM CC(C)(C)c1cc2c(C(=O)[O-])c(c1)CO[C@H](COc1ccccc1)COc1ccccc1OCCOCCOCCOC2 ZINC000027861925 561887120 /nfs/dbraw/zinc/88/71/20/561887120.db2.gz JJLZBHUQYYXKCO-GDLZYMKVSA-N -1 0 594.701 5.668 1 0 KKAFRM O=S(=O)([N-]c1ccccc1-c1ccc(CNc2nc(C(F)(F)F)nc3c2CCCC3)cc1)C(F)(F)F ZINC000027862306 561887305 /nfs/dbraw/zinc/88/73/05/561887305.db2.gz FENHKXVPGQPENW-UHFFFAOYSA-N -1 0 530.494 5.915 1 0 KKAFRM O=C(Nc1ccc(C(=O)N2CCCc3c(S(=O)(=O)[O-])[nH]c4cccc2c43)cc1Cl)c1ccccc1-c1ccccc1 ZINC000027862694 561887317 /nfs/dbraw/zinc/88/73/17/561887317.db2.gz BSYJKVFQOQUJQQ-UHFFFAOYSA-N -1 0 586.069 6.580 1 0 KKAFRM CN(CC(=O)NC1CCN(C(=O)c2ccc3ccccc3c2)CC1)C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027870704 561888244 /nfs/dbraw/zinc/88/82/44/561888244.db2.gz AHCKCCPZYZNBRQ-RRHRGVEJSA-N -1 0 727.754 6.741 1 0 KKAFRM 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0 571.743 6.769 1 0 KKAFRM Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC1(C(=O)[O-])CCCC1 ZINC000028710199 561951141 /nfs/dbraw/zinc/95/11/41/561951141.db2.gz VKQSDPFDBIOVSF-UHFFFAOYSA-N -1 0 510.559 6.481 1 0 KKAFRM Cc1cc2c(s1)C(=O)[C@@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)[O-])C2=O ZINC000028650720 561946052 /nfs/dbraw/zinc/94/60/52/561946052.db2.gz YZTDSYOCUIVLOS-VCTIXIOLSA-N -1 0 704.393 5.263 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(-c3csc(C(=O)[O-])n3)c2)C1=O ZINC000028655863 561946790 /nfs/dbraw/zinc/94/67/90/561946790.db2.gz OAZDJRNJSBWCHA-UHFFFAOYSA-N -1 0 601.729 6.289 1 0 KKAFRM CCN(C(=O)CCC(=O)Nc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705168 561948927 /nfs/dbraw/zinc/94/89/27/561948927.db2.gz SJDYZRQIYPURBN-UHFFFAOYSA-N -1 0 555.502 7.357 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1F)c1ccccc21 ZINC000028707174 561949950 /nfs/dbraw/zinc/94/99/50/561949950.db2.gz DITCOKIQMYMFDR-JWQCQUIFSA-N -1 0 588.651 6.050 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccc(F)cc1)c1ccccc21 ZINC000028707179 561949951 /nfs/dbraw/zinc/94/99/51/561949951.db2.gz BHRUDZIMISQPBN-CLJLJLNGSA-N -1 0 588.651 6.050 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CC(C)C)O2 ZINC000028713536 561954073 /nfs/dbraw/zinc/95/40/73/561954073.db2.gz UMFCCJNOJNPPKB-KFCPHXPSSA-N -1 0 502.736 8.125 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4oc3C(=O)c3ccccc3)cc2)cc1 ZINC000028757751 561956920 /nfs/dbraw/zinc/95/69/20/561956920.db2.gz HDCGGNUBUDAVCG-JGCGQSQUSA-N -1 0 538.599 8.073 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)Nc1ccc(Cn2c(CCCc3ccccc3)nc(Cl)c2CO)cc1 ZINC000028760722 561957889 /nfs/dbraw/zinc/95/78/89/561957889.db2.gz DPFRWPCRSSSSBY-UHFFFAOYSA-N -1 0 503.986 5.203 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(CCc2ccccc2)c1 ZINC000028760565 561957913 /nfs/dbraw/zinc/95/79/13/561957913.db2.gz DEVSZOOQQVOWML-PQHLKRTFSA-N -1 0 564.663 5.084 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2cc(Cl)cc(Cl)c2)c1C ZINC000028768155 561960265 /nfs/dbraw/zinc/96/02/65/561960265.db2.gz LNPRLVTXUXFAEN-UHFFFAOYSA-N -1 0 611.507 6.993 1 0 KKAFRM O=C([O-])CCCC[C@@H]1SC[C@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769068 561960610 /nfs/dbraw/zinc/96/06/10/561960610.db2.gz NDLRMDXVGOEAPH-FUDKSRODSA-N -1 0 582.358 6.147 1 0 KKAFRM Cc1c(Cc2cccnc2)cc2c(c1/C=C\CCCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028770874 561961250 /nfs/dbraw/zinc/96/12/50/561961250.db2.gz WGEOBUQCRFWEKF-BJOPHBQSSA-N -1 0 539.097 5.738 1 0 KKAFRM O=C([O-])CC/C=C/c1cc(Cc2cccnc2)cc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028771096 561961328 /nfs/dbraw/zinc/96/13/28/561961328.db2.gz QLHRWZWPJKVRRO-UIUFVEBASA-N -1 0 511.043 5.040 1 0 KKAFRM Cc1c(Cc2cccnc2)cc2c(c1/C=C/CCCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028771889 561961509 /nfs/dbraw/zinc/96/15/09/561961509.db2.gz WGEOBUQCRFWEKF-UWCCTICSSA-N -1 0 539.097 5.738 1 0 KKAFRM CC(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820910 561966041 /nfs/dbraw/zinc/96/60/41/561966041.db2.gz KMRHXMYPPSQILJ-XMMPIXPASA-N -1 0 532.390 6.028 1 0 KKAFRM O=C([O-])COc1ccc(SCc2cc(F)ccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2 ZINC000028822330 561966877 /nfs/dbraw/zinc/96/68/77/561966877.db2.gz OKTZSQCGQXXCKS-UHFFFAOYSA-N -1 0 506.517 6.668 1 0 KKAFRM CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824074 561968838 /nfs/dbraw/zinc/96/88/38/561968838.db2.gz QBYAEMOEVYRFCN-UHFFFAOYSA-N -1 0 557.694 8.237 1 0 KKAFRM CN1c2ccc(NS(C)(=O)=O)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824133 561969005 /nfs/dbraw/zinc/96/90/05/561969005.db2.gz UHJPUCZKUKNJQQ-UHFFFAOYSA-N -1 0 531.678 6.356 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824176 561969208 /nfs/dbraw/zinc/96/92/08/561969208.db2.gz HCCNVSBVWKFAOW-UHFFFAOYSA-N -1 0 729.743 9.823 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(N4CCCC4=O)ccc3N3CCCCC3)cc1F)n2C1CCCCC1 ZINC000028893959 561978686 /nfs/dbraw/zinc/97/86/86/561978686.db2.gz VFBQZQWAJPUSEM-UHFFFAOYSA-N -1 0 610.730 7.742 1 0 KKAFRM CC(=O)Nc1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000028894064 561978758 /nfs/dbraw/zinc/97/87/58/561978758.db2.gz GMDSXFMEFRRVSQ-UHFFFAOYSA-N -1 0 586.664 6.420 1 0 KKAFRM CC(=O)N(C)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000028894058 561978762 /nfs/dbraw/zinc/97/87/62/561978762.db2.gz DHLDYPKWVHUQLZ-UHFFFAOYSA-N -1 0 600.691 6.444 1 0 KKAFRM C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2NC2CC2)cc1 ZINC000028898877 561979478 /nfs/dbraw/zinc/97/94/78/561979478.db2.gz MIAWUKVACKCINL-AWEZNQCLSA-N -1 0 641.086 5.219 1 0 KKAFRM COc1cccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)c1 ZINC000028951269 561981585 /nfs/dbraw/zinc/98/15/85/561981585.db2.gz NZMZYAIECCYZQJ-VSGBNLITSA-N -1 0 602.703 6.000 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(-c3ccccc3)c(C3CCCCC3)nc2c1 ZINC000028879990 561976700 /nfs/dbraw/zinc/97/67/00/561976700.db2.gz GNGRMKGMEYDKGZ-NDEPHWFRSA-N -1 0 534.616 5.957 1 0 KKAFRM CC(C)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037740 561988699 /nfs/dbraw/zinc/98/86/99/561988699.db2.gz AQOMJINFEWKPKT-FQLXRVMXSA-N -1 0 622.759 5.882 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccccc1 ZINC000028961484 561984196 /nfs/dbraw/zinc/98/41/96/561984196.db2.gz IYVFVGMFARXLQA-HHHXNRCGSA-N -1 0 578.008 6.807 1 0 in-vivo KKAFRM COc1cc(C(=O)N2CC[C@@]3(C=C(C(=O)[O-])CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962481 561984573 /nfs/dbraw/zinc/98/45/73/561984573.db2.gz ZHFPIMSXEZPRLC-SSEXGKCCSA-N -1 0 548.998 6.124 1 0 KKAFRM O=C(c1ccc(Br)cc1[N-]S(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1 ZINC000028969386 561985632 /nfs/dbraw/zinc/98/56/32/561985632.db2.gz SLBONUXSXZOLGP-UHFFFAOYSA-N -1 0 542.702 5.353 1 0 KKAFRM CC(C)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972120 561986026 /nfs/dbraw/zinc/98/60/26/561986026.db2.gz OZOLMCRNOXGXAX-IBGZPJMESA-N -1 0 510.578 6.198 1 0 KKAFRM CCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972075 561986039 /nfs/dbraw/zinc/98/60/39/561986039.db2.gz MEUQDLXXQPPYAI-NRFANRHFSA-N -1 0 538.632 7.122 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977814 561987502 /nfs/dbraw/zinc/98/75/02/561987502.db2.gz OACZRTSAVJISLU-FTJBHMTQSA-N -1 0 632.686 5.207 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(-c2ccccc2)cc1)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978745 561987993 /nfs/dbraw/zinc/98/79/93/561987993.db2.gz DNNYNSPBJXNYMZ-KDXMTYKHSA-N -1 0 707.748 10.809 1 0 KKAFRM Cc1cc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c3cccc4C(F)(F)F)c2)c(C)cc1CC(=O)[O-] ZINC000028978860 561988027 /nfs/dbraw/zinc/98/80/27/561988027.db2.gz LFYZXWABUGTSOT-UHFFFAOYSA-N -1 0 554.612 8.367 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])Cc2ccc(OCCc3nc(-c4ccc(O)cc4)oc3C)cc2)cc1 ZINC000029042769 561991615 /nfs/dbraw/zinc/99/16/15/561991615.db2.gz RIPSACORXYUVGG-UHFFFAOYSA-N -1 0 532.549 5.071 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)[O-])cc1 ZINC000029044943 561992409 /nfs/dbraw/zinc/99/24/09/561992409.db2.gz ABIFPJDABNXEMK-GGAORHGYSA-N -1 0 552.553 5.460 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)Oc3ccccc3)CC[C@H]2CC(=O)[O-])c1 ZINC000029045532 561992512 /nfs/dbraw/zinc/99/25/12/561992512.db2.gz IIGKUFIQZADLCW-LSYYVWMOSA-N -1 0 540.616 6.351 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])c1 ZINC000029045692 561992623 /nfs/dbraw/zinc/99/26/23/561992623.db2.gz XIUDSCBTVUHYMN-DQEYMECFSA-N -1 0 506.599 5.554 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2CN(C(=O)OCC(C)C)CC[C@H]2C(=O)[O-])cc1 ZINC000029045846 561992629 /nfs/dbraw/zinc/99/26/29/561992629.db2.gz POTOMCOFEWNITE-XNMGPUDCSA-N -1 0 534.653 6.019 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])cc1 ZINC000029045844 561992631 /nfs/dbraw/zinc/99/26/31/561992631.db2.gz POTOMCOFEWNITE-BDYUSTAISA-N -1 0 534.653 6.019 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2=C(C(=O)[O-])CCN(C(=O)OCC(C)C)C2)cc1 ZINC000029046131 561992694 /nfs/dbraw/zinc/99/26/94/561992694.db2.gz KFTRRHRBOGHGRG-UHFFFAOYSA-N -1 0 532.637 6.084 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000029058768 561995441 /nfs/dbraw/zinc/99/54/41/561995441.db2.gz JDXZHKMNQWWGHP-QMOBXOPCSA-N -1 0 696.801 6.535 1 0 KKAFRM Cc1cc([N-]c2nc3ccc(C(=O)Nc4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cc3s2)no1 ZINC000029126153 561998454 /nfs/dbraw/zinc/99/84/54/561998454.db2.gz ZCSJGGZFOFERMJ-UHFFFAOYSA-N -1 0 551.550 7.168 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(Cl)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126610 561998800 /nfs/dbraw/zinc/99/88/00/561998800.db2.gz SDFVRVMCCOASEM-RSXGOPAZSA-N -1 0 516.981 5.584 1 0 KKAFRM Cn1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000029127652 562000082 /nfs/dbraw/zinc/00/00/82/562000082.db2.gz PGTKOGYRSWAQGX-QFIPXVFZSA-N -1 0 590.385 5.866 1 0 KKAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OC(CF)CF)cc1F ZINC000029130226 562002392 /nfs/dbraw/zinc/00/23/92/562002392.db2.gz UBRCPPWCZRZUQV-LLVKDONJSA-N -1 0 557.318 5.874 1 0 KKAFRM COc1ccccc1S(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000029130359 562002544 /nfs/dbraw/zinc/00/25/44/562002544.db2.gz GWZVZRWOHSZEGB-UHFFFAOYSA-N -1 0 695.237 7.782 1 0 KKAFRM Cc1cc(-c2cc(OP(=O)([O-])[O-])ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000029135946 562004660 /nfs/dbraw/zinc/00/46/60/562004660.db2.gz FOBCSLQFBLWNEU-UHFFFAOYSA-N -1 0 555.959 5.343 1 0 KKAFRM O=C([O-])CS[C@](CCCc1ccccc1)(CCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000029203400 562004797 /nfs/dbraw/zinc/00/47/97/562004797.db2.gz YPNHLLDCUZLMTI-PSXMRANNSA-N -1 0 561.747 8.483 1 0 KKAFRM CCCCCc1c(Cc2cccnc2)cc2c(c1CCC(=O)[O-])CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029205717 562005125 /nfs/dbraw/zinc/00/51/25/562005125.db2.gz GYKDNNYKLMAXGA-VWLOTQADSA-N -1 0 555.140 5.912 1 0 KKAFRM O=C([O-])C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212546 562005934 /nfs/dbraw/zinc/00/59/34/562005934.db2.gz JQOTYKQFFPNESQ-NAKRPHOHSA-N -1 0 641.596 5.738 1 0 KKAFRM O=C([O-])C[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000029214064 562006259 /nfs/dbraw/zinc/00/62/59/562006259.db2.gz AHQATBOIVCZNNN-VMPREFPWSA-N -1 0 681.617 5.806 1 0 KKAFRM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214568 562006269 /nfs/dbraw/zinc/00/62/69/562006269.db2.gz PJONSQNKGZRMKM-RRPNLBNLSA-N -1 0 616.586 5.647 1 0 KKAFRM CN(C(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029216044 562006478 /nfs/dbraw/zinc/00/64/78/562006478.db2.gz VSFBBOFLBYHSKG-FTJBHMTQSA-N -1 0 602.559 5.209 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000029217142 562006703 /nfs/dbraw/zinc/00/67/03/562006703.db2.gz SAEQKQVPZNTBGL-IHLOFXLRSA-N -1 0 695.644 6.196 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC000029217645 562006717 /nfs/dbraw/zinc/00/67/17/562006717.db2.gz NWWZTXLKVDCJHV-LOYHVIPDSA-N -1 0 695.644 6.196 1 0 KKAFRM O=C([O-])C[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029218571 562006866 /nfs/dbraw/zinc/00/68/66/562006866.db2.gz MOVQLCRUQCRCQO-KAYWLYCHSA-N -1 0 677.670 5.197 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000029218063 562006867 /nfs/dbraw/zinc/00/68/67/562006867.db2.gz FTQRMPGHGDAZMV-YAAUICRKSA-N -1 0 703.708 5.345 1 0 KKAFRM CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029219179 562006969 /nfs/dbraw/zinc/00/69/69/562006969.db2.gz HIHJIJXZRQCTJP-KYJUHHDHSA-N -1 0 709.756 6.613 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(C3CCC3)cs2)c1 ZINC000029342261 562015534 /nfs/dbraw/zinc/01/55/34/562015534.db2.gz SGNDWKCYBYQDMG-FWFQWLPWSA-N -1 0 561.813 8.470 1 0 KKAFRM CC(C)c1csc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)n1 ZINC000029345940 562016226 /nfs/dbraw/zinc/01/62/26/562016226.db2.gz LTURHORKNMDSTF-ZRAZOOHCSA-N -1 0 549.802 8.326 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(C3CCCC3)cs2)c1 ZINC000029396178 562018631 /nfs/dbraw/zinc/01/86/31/562018631.db2.gz NQZKBKBKFQKUAI-QZOFMVIASA-N -1 0 575.840 8.861 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1Br ZINC000029406664 562020836 /nfs/dbraw/zinc/02/08/36/562020836.db2.gz VANYAUBXJRJUTH-UHFFFAOYSA-N -1 0 518.414 5.527 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)O[C@H](C)c3ccccc3)ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000029466526 562024445 /nfs/dbraw/zinc/02/44/45/562024445.db2.gz YSWHREGDDIVEIE-LJQANCHMSA-N -1 0 547.991 5.909 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1ccc2ccc(OCCCC(=O)[O-])cc2c1C(C)=O ZINC000029468001 562024839 /nfs/dbraw/zinc/02/48/39/562024839.db2.gz FDBHMTDVXARXCV-UHFFFAOYSA-N -1 0 522.594 5.995 1 0 KKAFRM CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000029474773 562026283 /nfs/dbraw/zinc/02/62/83/562026283.db2.gz DRUNXIOYVDSGII-JGCGQSQUSA-N -1 0 646.787 7.413 1 0 KKAFRM CCCc1c(OCCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029487946 562028729 /nfs/dbraw/zinc/02/87/29/562028729.db2.gz WJVCTWDPIDDNBR-VWLOTQADSA-N -1 0 512.599 5.546 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](CCCCC(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545636 562029731 /nfs/dbraw/zinc/02/97/31/562029731.db2.gz BRCKKWJGQIZKQR-XMMPIXPASA-N -1 0 554.680 6.717 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](CCCCC(=O)[O-])O3)ccc(C(C)=O)c1O ZINC000029545632 562029739 /nfs/dbraw/zinc/02/97/39/562029739.db2.gz BRCKKWJGQIZKQR-DEOSSOPVSA-N -1 0 554.680 6.717 1 0 KKAFRM COC(=O)CCCc1onc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1cccc(OC)c1 ZINC000029552541 562031361 /nfs/dbraw/zinc/03/13/61/562031361.db2.gz WUFUTPBRCCBWAX-UHFFFAOYSA-N -1 0 518.657 5.428 1 0 KKAFRM CCCc1cc(-c2ccc(Cn3c(CC)nc4c3nc(C)cc4C)cc2)c(S(=O)(=O)[N-]C(=O)c2ccccc2)s1 ZINC000029560446 562032920 /nfs/dbraw/zinc/03/29/20/562032920.db2.gz YJLAWXLOGDXVDR-UHFFFAOYSA-N -1 0 572.756 6.459 1 0 KKAFRM CCc1cc(-c2ccc(Cn3c(CC)nc4c3nc(C)cc4C)cc2)c(S(=O)(=O)[N-]C(=O)c2ccccc2)s1 ZINC000029569433 562035296 /nfs/dbraw/zinc/03/52/96/562035296.db2.gz QUALEBNXLUYPOL-UHFFFAOYSA-N -1 0 558.729 6.068 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000034080908 562038257 /nfs/dbraw/zinc/03/82/57/562038257.db2.gz POVKMUXXHHNJIG-JNMQVBFRSA-N -1 0 526.593 5.656 1 0 KKAFRM O=C([O-])Cc1cccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c1 ZINC000034251438 562038522 /nfs/dbraw/zinc/03/85/22/562038522.db2.gz XTKJJTSBXITZND-UHFFFAOYSA-N -1 0 502.202 6.349 1 0 KKAFRM CC[C@@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000034799752 562040646 /nfs/dbraw/zinc/04/06/46/562040646.db2.gz XCCRAOPQCACRFC-DYIKCSJPSA-N -1 0 693.790 5.985 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)C(c2ccccc2)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799735 562040652 /nfs/dbraw/zinc/04/06/52/562040652.db2.gz UCQDOECKWCPDTC-LQJZCPKCSA-N -1 0 651.756 6.598 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799810 562040800 /nfs/dbraw/zinc/04/08/00/562040800.db2.gz NDOCMFOFQQGROG-NHRDYHFISA-N -1 0 707.817 6.231 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CO)cc1 ZINC000035274139 562045117 /nfs/dbraw/zinc/04/51/17/562045117.db2.gz QUXYTKCNWFHQEY-UHFFFAOYSA-N -1 0 512.005 6.744 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2c[nH]cn2)c1OC ZINC000036189866 562050969 /nfs/dbraw/zinc/05/09/69/562050969.db2.gz CZEHYXIKXRRVEW-SANMLTNESA-N -1 0 508.615 5.616 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc5sc(Cl)c(Cl)c5n4)c2c(Br)c1)[C@@H](CC(=O)[O-])CC3 ZINC000036190383 562051170 /nfs/dbraw/zinc/05/11/70/562051170.db2.gz ONQJCYKYKXRHJA-SNVBAGLBSA-N -1 0 588.332 6.277 1 0 KKAFRM C[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000036222786 562051718 /nfs/dbraw/zinc/05/17/18/562051718.db2.gz JUCMXSKRJAYSAJ-DHIUTWEWSA-N -1 0 613.179 8.053 1 0 KKAFRM C[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000036222780 562051743 /nfs/dbraw/zinc/05/17/43/562051743.db2.gz JUCMXSKRJAYSAJ-PKTZIBPZSA-N -1 0 613.179 8.053 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COCCC(=O)[O-])c3S1 ZINC000036222802 562051755 /nfs/dbraw/zinc/05/17/55/562051755.db2.gz KDRQFLWYPGUXGP-JOCHJYFZSA-N -1 0 599.152 8.012 1 0 KKAFRM C[C@H](CC(=O)[O-])SCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000036222775 562051760 /nfs/dbraw/zinc/05/17/60/562051760.db2.gz ULSOCMANROLXHS-DHIUTWEWSA-N -1 0 629.247 9.117 1 0 KKAFRM CC(C)(CC[C@H](SCCc1ccccn1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)[O-] ZINC000036268346 562052329 /nfs/dbraw/zinc/05/23/29/562052329.db2.gz WGKUUVHCSHQHLX-PMERELPUSA-N -1 0 547.164 8.367 1 0 KKAFRM CCOC(=O)Nc1ccccc1CC[C@H](SC[C@H](CC)C(=O)[O-])c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268401 562052481 /nfs/dbraw/zinc/05/24/81/562052481.db2.gz DFENYAUXMPKISO-BNHRFMORSA-N -1 0 605.200 8.760 1 0 KKAFRM C[C@@H](CS[C@@H](CCc1ccccc1C(=O)N(C)C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268433 562052569 /nfs/dbraw/zinc/05/25/69/562052569.db2.gz HZJBQKBZJJGRBH-JRPXNJEYSA-N -1 0 577.146 7.297 1 0 KKAFRM C[C@H](CC[C@@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268527 562052691 /nfs/dbraw/zinc/05/26/91/562052691.db2.gz OEBOGVZKAGANGB-NIYFSFCBSA-N -1 0 529.102 6.611 1 0 KKAFRM C[C@@H](CC[C@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268519 562052696 /nfs/dbraw/zinc/05/26/96/562052696.db2.gz OEBOGVZKAGANGB-SIBVEZHUSA-N -1 0 529.102 6.611 1 0 KKAFRM CCCc1cc(C2=N[C@@H]3OCCC[C@@H]3S2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000037866877 562062273 /nfs/dbraw/zinc/06/22/73/562062273.db2.gz VIVBCFKGUVZCLT-IYKJZBSOSA-N -1 0 509.668 5.990 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1C(F)(F)F)n2C1CCCCC1 ZINC000036350420 562058096 /nfs/dbraw/zinc/05/80/96/562058096.db2.gz WKBJPSSQTDQRLU-UHFFFAOYSA-N -1 0 570.611 9.172 1 0 KKAFRM O=C([O-])Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 ZINC000037866961 562062372 /nfs/dbraw/zinc/06/23/72/562062372.db2.gz AHVHHKDNTFMYLW-UHFFFAOYSA-N -1 0 502.202 6.349 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000036369682 562059676 /nfs/dbraw/zinc/05/96/76/562059676.db2.gz DMZMMAPPHDCECB-UHFFFAOYSA-N -1 0 550.677 5.300 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccc2ccccc2c1)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000037858764 562062135 /nfs/dbraw/zinc/06/21/35/562062135.db2.gz BVNHOVTUHKATJL-NMOSAVLGSA-N -1 0 730.802 6.848 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000038145757 562064533 /nfs/dbraw/zinc/06/45/33/562064533.db2.gz CCSSGRGWKFHHSX-OZXSUGGESA-N -1 0 528.026 5.554 3 0 KKAFRM CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@@H](COc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000038149593 562065993 /nfs/dbraw/zinc/06/59/93/562065993.db2.gz NFIGPODJIQQYKF-QFIPXVFZSA-N -1 0 561.906 6.997 1 0 KKAFRM C[C@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158071 562070004 /nfs/dbraw/zinc/07/00/04/562070004.db2.gz VXDOAROXLMDCAF-PKTZIBPZSA-N -1 0 629.247 8.975 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC2CCC2)c(C)c1 ZINC000038270488 562070743 /nfs/dbraw/zinc/07/07/43/562070743.db2.gz VFXCDESXOOWVLU-BCHFMIIMSA-N -1 0 503.599 5.550 1 0 KKAFRM CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)[O-])ccc21 ZINC000038362582 562071255 /nfs/dbraw/zinc/07/12/55/562071255.db2.gz SLFUBDNHUUYAGD-UHFFFAOYSA-N -1 0 517.597 6.675 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377626 562071493 /nfs/dbraw/zinc/07/14/93/562071493.db2.gz VLOPNYYNACVDTC-QUGAMOGWSA-N -1 0 651.328 7.144 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(cccc3C(=O)[O-])c2)cc1 ZINC000039122511 562072782 /nfs/dbraw/zinc/07/27/82/562072782.db2.gz TUOXXRMLFZBSTB-UHFFFAOYSA-N -1 0 532.423 8.869 1 0 in-vivo KKAFRM COc1cc(NC(=O)Nc2c(C)cccc2Cl)c(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1OC ZINC000040392909 562073874 /nfs/dbraw/zinc/07/38/74/562073874.db2.gz HBIOZRAAWRRGRW-QFIPXVFZSA-N -1 0 503.983 5.073 1 0 KKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000040421114 562075744 /nfs/dbraw/zinc/07/57/44/562075744.db2.gz ZLISXAZGDSYXRB-UHFFFAOYSA-N -1 0 507.022 6.207 1 0 KKAFRM CCc1cc(NC(=O)Nc2ccccc2C)ccc1-c1cccn(Cc2ccc([C@@H](C)CC(=O)[O-])cc2)c1=O ZINC000040753501 562079414 /nfs/dbraw/zinc/07/94/14/562079414.db2.gz SUJIFZABSRZWCR-QFIPXVFZSA-N -1 0 523.633 6.657 1 0 KKAFRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Cc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000040863428 562081064 /nfs/dbraw/zinc/08/10/64/562081064.db2.gz MDSYFZKKBWNDJW-VWLOTQADSA-N -1 0 513.421 6.091 1 0 KKAFRM CCCCc1nc2cc(S(=O)(=O)NC(C)C)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040873781 562081755 /nfs/dbraw/zinc/08/17/55/562081755.db2.gz KFLLUWVTBVISQZ-UHFFFAOYSA-N -1 0 505.640 5.479 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@](C)(C(=O)[O-])C2CCCCC2)c(C)c1 ZINC000040936160 562085064 /nfs/dbraw/zinc/08/50/64/562085064.db2.gz ZYHGLTOSKWXGQM-PMERELPUSA-N -1 0 501.627 6.562 1 0 in-vitro KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000095912310 560057279 /nfs/dbraw/zinc/05/72/79/560057279.db2.gz NZQARWYKOBSGNY-XKOUXHTLSA-N -1 0 568.795 6.902 1 0 biogenic,in-vitro KKAFRM CC(=O)O[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000095911824 560057818 /nfs/dbraw/zinc/05/78/18/560057818.db2.gz MJTXEUZBYBMCSL-CYHUXCCFSA-N -1 0 530.746 5.746 1 0 biogenic,in-vitro KKAFRM [O-]c1c(Cl)cc2c(c1Cl)CCc1cc(Cl)c(O)c(c1)-c1cc(ccc1O)/C=C\c1ccc-2c(O)c1Cl ZINC000085947361 560066219 /nfs/dbraw/zinc/06/62/19/560066219.db2.gz HNFAAWGDJVCYLO-RJRFIUFISA-N -1 0 560.260 8.726 1 0 biogenic,in-vitro KKAFRM O=C(CCCC[C@@H]1CCSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@@H](C(=O)[O-])OC2 ZINC000043060869 562645151 /nfs/dbraw/zinc/64/51/51/562645151.db2.gz AYAFHNDBQLFFQQ-IZLXSDGUSA-N -1 0 547.742 6.851 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2sc(-c3cccc(C(=O)[O-])c3)cc2c1 ZINC000043061882 562645201 /nfs/dbraw/zinc/64/52/01/562645201.db2.gz SBZHDIQQBIXXRZ-UHFFFAOYSA-N -1 0 538.452 8.931 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2nc(-c3cccc(C(=O)[O-])c3)sc2c1 ZINC000043065311 562645348 /nfs/dbraw/zinc/64/53/48/562645348.db2.gz JXGDNEBQKXIDTJ-UHFFFAOYSA-N -1 0 539.440 8.326 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000043066255 562645386 /nfs/dbraw/zinc/64/53/86/562645386.db2.gz RLFCFNBVHLVDEF-UHFFFAOYSA-N -1 0 532.423 8.869 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2[nH]c(-c3cccc(C(=O)[O-])c3)cc2c1 ZINC000043069532 562645477 /nfs/dbraw/zinc/64/54/77/562645477.db2.gz KZKVTMNXRGQDDO-UHFFFAOYSA-N -1 0 521.400 8.197 1 0 KKAFRM Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(=O)[O-])c1 ZINC000043075668 562645696 /nfs/dbraw/zinc/64/56/96/562645696.db2.gz XLJAGICJAKVSJO-UHFFFAOYSA-N -1 0 517.887 6.244 1 0 KKAFRM COCCOCOc1cc(C)c(-c2ccc3cc(C(=O)[O-])ccc3c2Cl)cc1C12CC3CC(CC(C3)C1)C2 ZINC000043080331 562645849 /nfs/dbraw/zinc/64/58/49/562645849.db2.gz GTQRCNNQKSSSCI-UHFFFAOYSA-N -1 0 535.080 7.634 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4cccnc4CCC3)CCCC2)cc1 ZINC000043104813 562645992 /nfs/dbraw/zinc/64/59/92/562645992.db2.gz WMKVWVGWAUTQRC-XMHGGMMESA-N -1 0 616.762 7.476 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)C(=O)c2ccc(C(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000043195963 562646743 /nfs/dbraw/zinc/64/67/43/562646743.db2.gz MHFIPIQOSXOQOO-UHFFFAOYSA-N -1 0 608.400 7.739 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000043409403 562648339 /nfs/dbraw/zinc/64/83/39/562648339.db2.gz JKCISELWSCCJOL-BOKQSQFPSA-N -1 0 528.774 6.831 1 0 KKAFRM CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043543998 562649578 /nfs/dbraw/zinc/64/95/78/562649578.db2.gz ZILLEVKEFYJMRU-UHFFFAOYSA-N -1 0 577.644 6.819 1 0 KKAFRM CC(=O)O[C@H]1[C@H](O)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@](C)(O)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000043587118 562649994 /nfs/dbraw/zinc/64/99/94/562649994.db2.gz HWGMGZJITMCAFQ-BGJCYSRJSA-N -1 0 530.746 5.746 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044052562 562651799 /nfs/dbraw/zinc/65/17/99/562651799.db2.gz SQDHGQYOTGTAMO-JGNKLCKRSA-N -1 0 616.733 9.825 1 0 KKAFRM C[C@H](C(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044069240 562652050 /nfs/dbraw/zinc/65/20/50/562652050.db2.gz YQRYMHFIQMFSDI-LNUJTBIGSA-N -1 0 608.820 6.229 1 0 KKAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000044264747 562652760 /nfs/dbraw/zinc/65/27/60/562652760.db2.gz DTLHICHVUCKYBF-UHFFFAOYSA-N -1 0 543.317 5.219 1 0 KKAFRM COC(=O)[C@@H]1[C@@H](OS(=O)(=O)[O-])CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000044280208 562652861 /nfs/dbraw/zinc/65/28/61/562652861.db2.gz ZACGVMMBQFJTOT-QWDUXILXSA-N -1 0 552.774 5.730 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c2c(c([O-])c3c(=O)c4c(oc13)-c1c3c(c(O)cc1O)OC(C)(C)[C@H]3C4)C=CC(C)(C)O2 ZINC000044280727 562652928 /nfs/dbraw/zinc/65/29/28/562652928.db2.gz QBDLPAZRIQKEQK-VLBBBODESA-N -1 0 570.682 7.807 1 0 biogenic,in-vitro KKAFRM CCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)[O-])ccc21 ZINC000044350697 562654349 /nfs/dbraw/zinc/65/43/49/562654349.db2.gz VQGNVKUGPFRTCG-UHFFFAOYSA-N -1 0 549.667 7.689 1 0 KKAFRM Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000044351719 562654813 /nfs/dbraw/zinc/65/48/13/562654813.db2.gz DHUATBAZHILHIC-INIZCTEOSA-N -1 0 531.914 6.633 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCCOC(=O)CCC(=O)[O-])cc3)C[C@@]21C ZINC000044352079 562654987 /nfs/dbraw/zinc/65/49/87/562654987.db2.gz QKHZRZLCKDVPQH-MYYQLPNJSA-N -1 0 615.811 6.745 1 0 KKAFRM COC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C)cc1 ZINC000044358876 562655373 /nfs/dbraw/zinc/65/53/73/562655373.db2.gz ZMKGBNKYCWNOHT-CLJLJLNGSA-N -1 0 588.632 5.056 1 0 KKAFRM CC(C)c1onc(COc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044388341 562656329 /nfs/dbraw/zinc/65/63/29/562656329.db2.gz XFGLUCKZHKFRKG-MDZDMXLPSA-N -1 0 572.872 8.785 1 0 KKAFRM CCC(CC)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404669 562656501 /nfs/dbraw/zinc/65/65/01/562656501.db2.gz YSJDVBZGXIIDCO-VAWYXSNFSA-N -1 0 570.900 9.653 1 0 KKAFRM COc1ccc(C(OCCNCc2c(F)cc(F)c([O-])c2F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000044418554 562657299 /nfs/dbraw/zinc/65/72/99/562657299.db2.gz FLIZTQMKECDUSC-UHFFFAOYSA-N -1 0 553.577 5.934 1 0 KKAFRM Cn1c2cc([S@](=O)CCCn3cccc3)c([O-])cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000044430300 562657452 /nfs/dbraw/zinc/65/74/52/562657452.db2.gz FMCCVTFUOPGACL-QNGWXLTQSA-N -1 0 532.021 5.241 1 0 KKAFRM CC[C@@H](C(=O)Nc1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000045368000 562662138 /nfs/dbraw/zinc/66/21/38/562662138.db2.gz LZKKDOUXFIOQEM-MUUNZHRXSA-N -1 0 516.641 7.804 1 0 KKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)cc3F)ccc2CCC(=O)[O-])c1 ZINC000045387715 562662486 /nfs/dbraw/zinc/66/24/86/562662486.db2.gz ANXDYLMRCATVOP-MHZLTWQESA-N -1 0 509.593 6.695 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc3ccccc3c2)cc1 ZINC000049031221 562663382 /nfs/dbraw/zinc/66/33/82/562663382.db2.gz CSUCJFGSUDYCQF-UHFFFAOYSA-N -1 0 511.599 6.990 1 0 KKAFRM Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049032952 562663414 /nfs/dbraw/zinc/66/34/14/562663414.db2.gz NJFWUSTXRVAUNB-UHFFFAOYSA-N -1 0 500.429 5.653 1 0 KKAFRM COc1c(Br)cc(Br)c(Br)c1Oc1cc(Br)cc(Br)c1[O-] ZINC000049592849 562664928 /nfs/dbraw/zinc/66/49/28/562664928.db2.gz JEYHKMBYURRIOJ-UHFFFAOYSA-N -1 0 610.716 7.006 1 0 KKAFRM O=C([O-])[C@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccccc1)NC(=O)c1ccc2ccccc2n1 ZINC000049605920 562666395 /nfs/dbraw/zinc/66/63/95/562666395.db2.gz QGVRHUVGSKYQFD-PCJOSXSGSA-N -1 0 697.792 5.064 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000049670152 562668253 /nfs/dbraw/zinc/66/82/53/562668253.db2.gz UZUFJJXAXDSHIH-HWKANZROSA-N -1 0 553.389 6.240 1 0 KKAFRM Cc1cn(Cc2ccc(F)c(F)c2)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049678609 562668613 /nfs/dbraw/zinc/66/86/13/562668613.db2.gz QXOGNWFHBAWCDN-HWKANZROSA-N -1 0 559.418 6.302 1 0 KKAFRM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(SC3CCCCC3)nc(-c3ccccc3)n2)CC1 ZINC000049680198 562669141 /nfs/dbraw/zinc/66/91/41/562669141.db2.gz BTDKNKMHPMAUTP-VWLOTQADSA-N -1 0 625.792 5.003 1 0 KKAFRM CC(C)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000049709792 562671420 /nfs/dbraw/zinc/67/14/20/562671420.db2.gz XTEJZDMBWFPVLK-LXZNOVTQSA-N -1 0 555.844 7.374 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnn(C(=O)c7cccnc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049722972 562672732 /nfs/dbraw/zinc/67/27/32/562672732.db2.gz CABWGACLNJMSQM-BXEYLZRDSA-N -1 0 583.817 7.867 1 0 KKAFRM Cn1cc(Cc2ccc3ccccc3c2)c2c1cccc2CCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049745477 562673919 /nfs/dbraw/zinc/67/39/19/562673919.db2.gz FFICDCLYEXZTKB-UHFFFAOYSA-N -1 0 557.524 6.728 1 0 KKAFRM CCOC(=O)c1c(-c2ccc(-c3ccc(F)c(Cl)c3)cc2)csc1NC(=O)c1ccccc1C(=O)[O-] ZINC000049767813 562677720 /nfs/dbraw/zinc/67/77/20/562677720.db2.gz CPAIZRZTFRDJHV-UHFFFAOYSA-N -1 0 523.969 7.002 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1cccs1)n2C1CCCCC1 ZINC000049767927 562677729 /nfs/dbraw/zinc/67/77/29/562677729.db2.gz NRCZNEGLPCREFY-DEOSSOPVSA-N -1 0 528.634 5.883 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C[C@H](OC(=O)c5ccccc5)C[C@]43C)[C@@H]2C1 ZINC000049767979 562677839 /nfs/dbraw/zinc/67/78/39/562677839.db2.gz ZDWBQGOLLQFTKE-BARITMCJSA-N -1 0 560.819 9.098 1 0 KKAFRM Cc1cn(Cc2ccc(F)c(F)c2)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)no1 ZINC000049775264 562678961 /nfs/dbraw/zinc/67/89/61/562678961.db2.gz OLYDUZVYCKSAIT-UHFFFAOYSA-N -1 0 551.468 6.288 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000049775727 562679185 /nfs/dbraw/zinc/67/91/85/562679185.db2.gz HSUPBGCKRZJDPW-UHFFFAOYSA-N -1 0 537.637 7.504 1 0 KKAFRM CCN(C(C)=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000049778179 562681056 /nfs/dbraw/zinc/68/10/56/562681056.db2.gz BZXSEKPYPNQRCD-UHFFFAOYSA-N -1 0 640.155 9.318 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000049780854 562682371 /nfs/dbraw/zinc/68/23/71/562682371.db2.gz PVEFJNQDIIDFGY-XNTDXEJSSA-N -1 0 552.986 5.650 1 0 KKAFRM C[C@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2N(Cc2ccc3ccccc3c2)C1=O ZINC000049780894 562682420 /nfs/dbraw/zinc/68/24/20/562682420.db2.gz DTCXOTGYJKUACG-BJRSVTDJSA-N -1 0 565.478 6.315 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049781032 562682556 /nfs/dbraw/zinc/68/25/56/562682556.db2.gz GLBHSLFQNFPRMJ-UHFFFAOYSA-N -1 0 554.521 6.642 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3cccc(F)c3)C3=C(N=4)/C(=C/c4cccc(F)c4)CCC3)o2)c1 ZINC000049784202 562683523 /nfs/dbraw/zinc/68/35/23/562683523.db2.gz CCCQRJYFBMPUIE-CSJOFSIASA-N -1 0 606.650 6.719 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc4c(c3)OCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049785222 562683906 /nfs/dbraw/zinc/68/39/06/562683906.db2.gz AAKBVWNVGBMJLG-UHFFFAOYSA-N -1 0 573.545 6.498 1 0 KKAFRM COc1ccc(Cn2cc(C)c3cc(F)cc(-c4nnc([N-]S(=O)(=O)c5ccc(F)c(F)c5)o4)c32)cc1 ZINC000049793333 562684736 /nfs/dbraw/zinc/68/47/36/562684736.db2.gz QYBDJEZZEDSMFQ-UHFFFAOYSA-N -1 0 528.512 5.275 1 0 KKAFRM Cc1noc(-c2ccccc2)c1CN1[C@@H](c2c(C)n(CC(=O)[O-])c3ccccc32)c2ccccc2S1(=O)=O ZINC000049793492 562684867 /nfs/dbraw/zinc/68/48/67/562684867.db2.gz JZCAUMQZTKBKSA-MUUNZHRXSA-N -1 0 527.602 5.292 1 0 KKAFRM COc1cc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)ccc1F ZINC000049793579 562684965 /nfs/dbraw/zinc/68/49/65/562684965.db2.gz TWMQFZUKMKLRTL-KRWDZBQOSA-N -1 0 554.958 6.368 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCCCC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000049794040 562685311 /nfs/dbraw/zinc/68/53/11/562685311.db2.gz QHMSRISIRCNPDC-UHFFFAOYSA-N -1 0 666.193 9.571 1 0 KKAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n31)c1ccc(OC(=O)c3ccccc3-c3ccccc3)cc1CC2 ZINC000049802486 562685715 /nfs/dbraw/zinc/68/57/15/562685715.db2.gz UUOJGXVBDRDQAJ-RBMBOCLCSA-N -1 0 720.803 6.677 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049803079 562686043 /nfs/dbraw/zinc/68/60/43/562686043.db2.gz NQSXJKINEHOBTF-HDFSHUSISA-N -1 0 530.605 5.277 1 0 KKAFRM CS(=O)(=O)CS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049833341 562687726 /nfs/dbraw/zinc/68/77/26/562687726.db2.gz CWQRFLZHMXAIPX-UHFFFAOYSA-N -1 0 681.232 5.716 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049850592 562688715 /nfs/dbraw/zinc/68/87/15/562688715.db2.gz FWUYLMWSIUOLQP-VHULNFAASA-N -1 0 634.854 7.147 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)c6ccc(O)cc6)[C@H](OC(=O)c6ccc(O)cc6)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 ZINC000049853679 562689067 /nfs/dbraw/zinc/68/90/67/562689067.db2.gz XPEVLOSUULAUFH-AHHVVZNJSA-N -1 0 712.924 9.345 1 0 in-vitro KKAFRM CN(C(=O)c1cc(I)cc(I)c1[O-])c1ccc(Cl)c(Cl)c1 ZINC000049867470 562689507 /nfs/dbraw/zinc/68/95/07/562689507.db2.gz NDMCGAHSOUPUEZ-UHFFFAOYSA-N -1 0 547.945 5.185 1 0 KKAFRM CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(NC(=O)CCC(=O)[O-])c2)nc2c(Cl)cc(Cl)cn12 ZINC000049872155 562689771 /nfs/dbraw/zinc/68/97/71/562689771.db2.gz MOJGZCGKCPGHSQ-UHFFFAOYSA-N -1 0 553.874 5.956 1 0 KKAFRM C[C@@H]1CCC[C@H](C)[N@H+]1CCS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898557 562692628 /nfs/dbraw/zinc/69/26/28/562692628.db2.gz LKHXERLHWRRRTM-QRRGNZNSSA-N -1 0 726.383 8.531 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCn2cnnn2)cc1 ZINC000049899589 562693252 /nfs/dbraw/zinc/69/32/52/562693252.db2.gz NYEVKOMTBTUYNA-UHFFFAOYSA-N -1 0 685.206 5.401 1 0 KKAFRM CC(=O)N(CCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000049918224 562694616 /nfs/dbraw/zinc/69/46/16/562694616.db2.gz SFXQZNSONSORHP-BJKOFHAPSA-N -1 0 654.232 7.885 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)NCc4ccccc4)ccc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1 ZINC000049938334 562695239 /nfs/dbraw/zinc/69/52/39/562695239.db2.gz RLWMUNJYSAVUMR-UHFFFAOYSA-N -1 0 670.209 9.736 1 0 KKAFRM CC(C)C(=O)N(C)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000049938405 562695287 /nfs/dbraw/zinc/69/52/87/562695287.db2.gz PERCXEHYNNQJAD-UHFFFAOYSA-N -1 0 654.182 9.564 1 0 KKAFRM CCc1ccc(-c2ccccc2OCC(=O)Nc2ccc3c(C)c(CC(=O)[O-])c(=O)oc3c2)c(F)c1F ZINC000049942605 562695559 /nfs/dbraw/zinc/69/55/59/562695559.db2.gz BZXGVTFAAWQBGN-UHFFFAOYSA-N -1 0 507.489 5.254 1 0 KKAFRM COc1c(Br)cc(Br)cc1Oc1c([O-])cc(Br)c(Br)c1Br ZINC000049942494 562695527 /nfs/dbraw/zinc/69/55/27/562695527.db2.gz LWXUPDPSLGLZAL-UHFFFAOYSA-N -1 0 610.716 7.006 1 0 KKAFRM CCCC[C@@H](Sc1nc(OCCc2ccc(OC)cc2)cc(OCCc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000053230180 562696710 /nfs/dbraw/zinc/69/67/10/562696710.db2.gz YMGRSYOQSOWXTM-XMMPIXPASA-N -1 0 526.655 5.472 1 0 KKAFRM CCCC[C@H](Sc1nc(OCCC2CCCCCC2)cc(OCCC2CCCCCC2)n1)C(=O)[O-] ZINC000053297704 562697464 /nfs/dbraw/zinc/69/74/64/562697464.db2.gz PFAJPYMMIWKJDD-DEOSSOPVSA-N -1 0 506.753 7.691 1 0 KKAFRM O=C([O-])c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)NC1=CC2=C(CC1)c1c(cc(Cl)cc1Cl)C2 ZINC000053298564 562697515 /nfs/dbraw/zinc/69/75/15/562697515.db2.gz CNXUEMUZEWTDRY-UHFFFAOYSA-N -1 0 545.249 8.083 1 0 KKAFRM CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](OC(=O)c5ccc(C(=O)[O-])c([N+](=O)[O-])c5)C(C)(C)[C@@H]4CC[C@@]32C)C(=O)O1 ZINC000058482316 562698011 /nfs/dbraw/zinc/69/80/11/562698011.db2.gz RSONPOWNPKPGNO-GKKNLNSVSA-N -1 0 651.797 7.126 1 0 KKAFRM CCCc1nc2cc(Br)c(Br)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000058582900 562700045 /nfs/dbraw/zinc/70/00/45/562700045.db2.gz SKIFXVZAZPTMPN-UHFFFAOYSA-N -1 0 528.244 6.927 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1 ZINC000060327315 562702729 /nfs/dbraw/zinc/70/27/29/562702729.db2.gz KKMDQEATKJYGTG-DEOSSOPVSA-N -1 0 568.073 6.878 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1 ZINC000060327316 562702764 /nfs/dbraw/zinc/70/27/64/562702764.db2.gz KKMDQEATKJYGTG-XMMPIXPASA-N -1 0 568.073 6.878 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)cc1 ZINC000060328779 562702798 /nfs/dbraw/zinc/70/27/98/562702798.db2.gz SLVCGBAXQWWREW-OAQYLSRUSA-N -1 0 551.470 6.984 1 0 KKAFRM O=S(=O)([N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1cccc2ccccc21 ZINC000064513662 562706437 /nfs/dbraw/zinc/70/64/37/562706437.db2.gz FKSBEXPEECRYBF-UHFFFAOYSA-N -1 0 549.700 5.644 1 0 KKAFRM O=S(=O)([N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccc2ccccc2c1 ZINC000064526590 562706653 /nfs/dbraw/zinc/70/66/53/562706653.db2.gz MAEKBOFLYVOEBZ-UHFFFAOYSA-N -1 0 549.700 5.644 1 0 KKAFRM O=S(=O)([N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1cccc(Cl)c1 ZINC000064528239 562707322 /nfs/dbraw/zinc/70/73/22/562707322.db2.gz NEBSNDXMRQKGGJ-UHFFFAOYSA-N -1 0 534.085 5.144 1 0 KKAFRM CC(C)c1nc2c(c(Nc3ccc(C(C)(C)C(=O)[O-])cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000064559049 562708313 /nfs/dbraw/zinc/70/83/13/562708313.db2.gz WAEKLKAUACGKCX-UHFFFAOYSA-N -1 0 513.564 5.725 1 0 KKAFRM O=C([O-])CNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066058905 562709190 /nfs/dbraw/zinc/70/91/90/562709190.db2.gz HRKSLEZCZMHWHK-UHFFFAOYSA-N -1 0 579.453 5.877 1 0 KKAFRM CCOc1ccccc1[C@@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000066074224 562709741 /nfs/dbraw/zinc/70/97/41/562709741.db2.gz YBWHECNUTBQGDX-MUUNZHRXSA-N -1 0 559.103 5.303 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1ccccc1F ZINC000066098728 562710987 /nfs/dbraw/zinc/71/09/87/562710987.db2.gz ZWQDVNCYHOOHFW-WXTAPIANSA-N -1 0 533.040 5.043 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@@H](O)c1ccccc1F ZINC000066099157 562711033 /nfs/dbraw/zinc/71/10/33/562711033.db2.gz IZXRWRGCXWYKGS-SANMLTNESA-N -1 0 533.040 5.043 1 0 KKAFRM Cc1cccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCC(=O)Nc3cccc4ccccc43)nn2)c1 ZINC000066099409 562711113 /nfs/dbraw/zinc/71/11/13/562711113.db2.gz VHGOBKBQZICRNB-UHFFFAOYSA-N -1 0 532.556 6.253 1 0 KKAFRM CCCOc1ccc(C[C@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000066104666 562711783 /nfs/dbraw/zinc/71/17/83/562711783.db2.gz XYMQLACGAYNBRX-KHXABJNDSA-N -1 0 565.754 7.359 1 0 in-vitro KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc43)nn2)cc1 ZINC000066112446 562712014 /nfs/dbraw/zinc/71/20/14/562712014.db2.gz XKVWTVIOHRIVIZ-UHFFFAOYSA-N -1 0 546.583 6.643 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCC(=O)Nc2cccc3ccccc32)nn1 ZINC000066112675 562712111 /nfs/dbraw/zinc/71/21/11/562712111.db2.gz CYXSZWVARQVDEB-UHFFFAOYSA-N -1 0 518.529 5.944 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066138838 562713363 /nfs/dbraw/zinc/71/33/63/562713363.db2.gz HEROAMGCEAQMJM-ZEQRLZLVSA-N -1 0 546.870 6.299 3 0 KKAFRM O=C(NCc1nnn[n-]1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066258924 562715102 /nfs/dbraw/zinc/71/51/02/562715102.db2.gz NCKNXZMACSRNIH-UHFFFAOYSA-N -1 0 588.377 5.914 1 0 KKAFRM O=C([O-])c1cnc(N2CCC3(CC2)CCN(Cc2cccc(C(F)(F)F)c2)c2ccccc2O3)s1 ZINC000068249467 562716244 /nfs/dbraw/zinc/71/62/44/562716244.db2.gz DTYMFBGMFULUJF-UHFFFAOYSA-N -1 0 503.546 5.688 1 0 KKAFRM CC[C@@H](Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)[O-] ZINC000071281015 562716573 /nfs/dbraw/zinc/71/65/73/562716573.db2.gz WKYVFAKPUNKNBD-HHHXNRCGSA-N -1 0 515.034 7.830 1 0 KKAFRM COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)Cc5cccc(CC(=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071296881 562717664 /nfs/dbraw/zinc/71/76/64/562717664.db2.gz JXENYDHEDKYPLE-NSVMBASQSA-N -1 0 566.779 7.016 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071317696 562718257 /nfs/dbraw/zinc/71/82/57/562718257.db2.gz LXSLFGKGTOSBCI-FQEVSTJZSA-N -1 0 548.076 6.919 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071330627 562719174 /nfs/dbraw/zinc/71/91/74/562719174.db2.gz FPXPNQMJSUYWAC-HSZRJFAPSA-N -1 0 509.668 6.435 1 0 KKAFRM COCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071330842 562719233 /nfs/dbraw/zinc/71/92/33/562719233.db2.gz SCXNMRCBDPFUOM-FQEVSTJZSA-N -1 0 532.058 5.626 1 0 KKAFRM Cc1ccnc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)c1 ZINC000071331853 562719326 /nfs/dbraw/zinc/71/93/26/562719326.db2.gz TUOFYPZKMIDEHO-SFQUDFHCSA-N -1 0 578.713 6.841 1 0 KKAFRM CCCCCCc1oc(-c2ccccc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc12 ZINC000071332043 562719342 /nfs/dbraw/zinc/71/93/42/562719342.db2.gz PZNVHYMAMHJHPX-UHFFFAOYSA-N -1 0 511.018 7.286 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(C(=O)[O-])cc4)CCC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071332691 562719393 /nfs/dbraw/zinc/71/93/93/562719393.db2.gz OBNMVCQNFKUHJY-UHFFFAOYSA-N -1 0 550.659 6.277 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cnccn1 ZINC000071340362 562719706 /nfs/dbraw/zinc/71/97/06/562719706.db2.gz UISAVKFNUHKVCD-LFIBNONCSA-N -1 0 565.674 5.928 1 0 KKAFRM Cc1ccc(C(C)C)c(Br)c1Oc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000072112735 562722148 /nfs/dbraw/zinc/72/21/48/562722148.db2.gz GJPSQVOGDYUCQD-UHFFFAOYSA-N -1 0 588.123 8.700 1 0 KKAFRM COc1ccccc1[C@@H](O)c1cc(Cl)cc(OCCC(C)(C)O)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000072113654 562722435 /nfs/dbraw/zinc/72/24/35/562722435.db2.gz FQINGGJEAGSQPJ-WKRVVKTRSA-N -1 0 647.209 5.453 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3cc(F)c(F)c(F)c3)C(=O)[O-])ccc2o1 ZINC000072113783 562722462 /nfs/dbraw/zinc/72/24/62/562722462.db2.gz ZANJRUNJKPBLQU-VWLOTQADSA-N -1 0 536.506 6.459 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCC(C(=O)[O-])CC2)c(OC(C)C)c1 ZINC000072113702 562722471 /nfs/dbraw/zinc/72/24/71/562722471.db2.gz AOOPKPSXUALIGS-FQLXRVMXSA-N -1 0 610.538 7.251 1 0 KKAFRM O=C([O-])[C@H](CO)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000072122105 562724421 /nfs/dbraw/zinc/72/44/21/562724421.db2.gz AEQNWAKXCRUVBS-UZZWPBEWSA-N -1 0 709.796 5.111 1 0 KKAFRM Cc1ccc(-c2oc3cc(O)c(C(=O)[O-])cc3c2-c2cn(CCCC(=O)Nc3ccc(Br)c4ccccc34)nn2)cc1 ZINC000072126757 562725335 /nfs/dbraw/zinc/72/53/35/562725335.db2.gz OXLSWNPWRYJXGN-UHFFFAOYSA-N -1 0 625.479 7.405 1 0 KKAFRM O=C([O-])/C=C/c1ccc(OC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ccccc4NCCCC3)CCCC2)cc1 ZINC000072129815 562726455 /nfs/dbraw/zinc/72/64/55/562726455.db2.gz VCBDIHNJZUAGPX-LTGZKZEYSA-N -1 0 645.800 8.308 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@@H](Oc3ccc(C(C)(C)C)cc3)C(=O)[O-])ccc2o1 ZINC000072142757 562729599 /nfs/dbraw/zinc/72/95/99/562729599.db2.gz KQGLNUYNYIWMQL-GDLZYMKVSA-N -1 0 538.644 7.339 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000072180584 562732500 /nfs/dbraw/zinc/73/25/00/562732500.db2.gz YCTDNHFBCABZPQ-UHFFFAOYSA-N -1 0 512.414 6.358 1 0 KKAFRM COc1ccccc1Oc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000072183312 562732914 /nfs/dbraw/zinc/73/29/14/562732914.db2.gz ALGDADFQFCMFIE-UHFFFAOYSA-N -1 0 528.413 6.580 1 0 KKAFRM CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(C(C)C)c1 ZINC000073139733 562733498 /nfs/dbraw/zinc/73/34/98/562733498.db2.gz IOYFPTJNHNGVKW-UHFFFAOYSA-N -1 0 597.753 6.055 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cc(C)nn5C)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073141978 562733738 /nfs/dbraw/zinc/73/37/38/562733738.db2.gz SHRAXZCSUMGPKU-UHFFFAOYSA-N -1 0 626.823 7.925 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(C)cn3)cc2)nc1 ZINC000073142316 562733791 /nfs/dbraw/zinc/73/37/91/562733791.db2.gz IRQIBOAVBGKTBW-UHFFFAOYSA-N -1 0 607.820 8.886 1 0 KKAFRM Cc1cc(C(=O)Nc2cc(C(C)(C)C(=O)[O-])ccc2Cl)c(C)cc1OC[C@@H]1CN(C)c2ccccc2O1 ZINC000073162480 562734203 /nfs/dbraw/zinc/73/42/03/562734203.db2.gz LOZKTERWUJKZQM-FQEVSTJZSA-N -1 0 523.029 5.848 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)c(C)n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073164916 562734418 /nfs/dbraw/zinc/73/44/18/562734418.db2.gz FYZGJYZHBJJDDT-UHFFFAOYSA-N -1 0 637.846 8.895 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1ccc(F)cc1 ZINC000073165646 562734425 /nfs/dbraw/zinc/73/44/25/562734425.db2.gz WEBVJLRYLNGCSN-UHFFFAOYSA-N -1 0 519.491 6.306 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1 ZINC000073168136 562734684 /nfs/dbraw/zinc/73/46/84/562734684.db2.gz FDJJIEIXVPODKX-AREMUKBSSA-N -1 0 597.111 7.492 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3ccc(=O)[nH]c3)cc2)nc1 ZINC000073169141 562734846 /nfs/dbraw/zinc/73/48/46/562734846.db2.gz HEPJEQVMKHBJMY-UHFFFAOYSA-N -1 0 609.792 7.871 1 0 KKAFRM O=C([O-])CCSc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000073197302 562735328 /nfs/dbraw/zinc/73/53/28/562735328.db2.gz ZVWIIJLMUDGTPU-UHFFFAOYSA-N -1 0 537.853 5.180 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000073197113 562735296 /nfs/dbraw/zinc/73/52/96/562735296.db2.gz UJFBJGKNWBOYDS-NGKXTOPJSA-N -1 0 537.791 8.173 1 0 KKAFRM CCC(=O)Nc1ccc(Oc2cc(CC(=O)[O-])ccc2OC)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000073221097 562736295 /nfs/dbraw/zinc/73/62/95/562736295.db2.gz FSNHKJDEBPJYLW-INIZCTEOSA-N -1 0 510.974 5.608 1 0 KKAFRM Cc1ccc(S(=O)(=O)Nc2ccc(CCNC(=O)c3ccc([O-])c4nc(-c5ccc(F)cc5)[nH]c43)cc2)cc1 ZINC000073280101 562737419 /nfs/dbraw/zinc/73/74/19/562737419.db2.gz KTMJNXVUTAIOBB-UHFFFAOYSA-N -1 0 544.608 5.156 1 0 KKAFRM C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(=O)[O-])C(C)C ZINC000073292173 562737502 /nfs/dbraw/zinc/73/75/02/562737502.db2.gz MFGGXMSNGODHMJ-AEHIQNLVSA-N -1 0 558.756 5.171 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3cccc(C)c3)ccc2c1 ZINC000073296080 562737689 /nfs/dbraw/zinc/73/76/89/562737689.db2.gz VLYBXNSIDCOCLK-JGCGQSQUSA-N -1 0 583.710 6.999 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc4c(c3)OCO4)ccc2c1 ZINC000073313004 562737974 /nfs/dbraw/zinc/73/79/74/562737974.db2.gz UEHNEMDCQGNQTG-SSEXGKCCSA-N -1 0 613.692 6.420 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c([S@](=O)C(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137905 562738992 /nfs/dbraw/zinc/73/89/92/562738992.db2.gz UUIAEJBYJQLEJV-QZNUWAOFSA-N -1 0 653.845 7.992 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cn6ccccc6n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137931 562739039 /nfs/dbraw/zinc/73/90/39/562739039.db2.gz HLYCGSYGOOHELT-UHFFFAOYSA-N -1 0 648.829 8.531 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cnc6ccccc6n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082139922 562739282 /nfs/dbraw/zinc/73/92/82/562739282.db2.gz VILIXWVCAGLOCT-UHFFFAOYSA-N -1 0 660.840 8.826 1 0 KKAFRM C[C@@H](Oc1cc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)[O-] ZINC000082149608 562739711 /nfs/dbraw/zinc/73/97/11/562739711.db2.gz XXDAGAVXKJFFJW-CQSZACIVSA-N -1 0 539.337 6.077 1 0 KKAFRM COc1cc(-n2c(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n[n-]c2=S)cc(OC)c1OC ZINC000082154346 562740332 /nfs/dbraw/zinc/74/03/32/562740332.db2.gz DELZLUPPFDLYAI-UHFFFAOYSA-N -1 0 562.467 5.218 1 0 KKAFRM O=c1c2cc(S(=O)(=O)[O-])ccc2nc(COc2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1C(=S)Nc1ccc(Cl)cc1 ZINC000082185980 562742331 /nfs/dbraw/zinc/74/23/31/562742331.db2.gz YWKFPKLIYXDYAP-UHFFFAOYSA-N -1 0 662.960 7.220 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(Cl)cc3Cl)ccc2c1 ZINC000082186054 562742351 /nfs/dbraw/zinc/74/23/51/562742351.db2.gz HMJZQHVGQIYCRF-WJOKGBTCSA-N -1 0 638.573 7.998 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n3c(c4C4CCCCC4)-c4ncccc4OCC3)CCCC2)cc1 ZINC000084586999 562743465 /nfs/dbraw/zinc/74/34/65/562743465.db2.gz MMXDIAOEHHXLMZ-SFQUDFHCSA-N -1 0 618.734 6.923 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C(=O)[O-])c2)cc1 ZINC000084596368 562743683 /nfs/dbraw/zinc/74/36/83/562743683.db2.gz RVCMYCQZEKKBMI-UHFFFAOYSA-N -1 0 615.513 8.896 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1c(F)cccc1F)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084653922 562747056 /nfs/dbraw/zinc/74/70/56/562747056.db2.gz HGUFSFULYKABEO-XMMPIXPASA-N -1 0 579.612 8.263 1 0 KKAFRM C[C@H](O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669815 562748059 /nfs/dbraw/zinc/74/80/59/562748059.db2.gz LXPIKCWBQUZGHG-FYSMJZIKSA-N -1 0 581.452 5.417 1 0 KKAFRM CC(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669813 562748085 /nfs/dbraw/zinc/74/80/85/562748085.db2.gz HCVGIQGOPCGGPD-DEOSSOPVSA-N -1 0 579.436 5.566 1 0 KKAFRM C[C@@H](O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669814 562748100 /nfs/dbraw/zinc/74/81/00/562748100.db2.gz LXPIKCWBQUZGHG-GYCJOSAFSA-N -1 0 581.452 5.417 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)cc1 ZINC000084670525 562748319 /nfs/dbraw/zinc/74/83/19/562748319.db2.gz GIGMZMKJQUJECN-UHFFFAOYSA-N -1 0 517.622 6.199 1 0 KKAFRM CCCCc1nc2ccc(C)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000084690588 562749655 /nfs/dbraw/zinc/74/96/55/562749655.db2.gz GYQLFYZRZOFFKO-UHFFFAOYSA-N -1 0 528.678 6.808 1 0 KKAFRM CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000084703646 562749795 /nfs/dbraw/zinc/74/97/95/562749795.db2.gz NEOVVLWTAJNEGT-UHFFFAOYSA-N -1 0 500.624 6.110 1 0 KKAFRM Cc1cccc(-c2sc3c(-c4ccc5c(c4)OCO5)c(COc4cccc5ccccc54)cc(=O)n3c2C(=O)[O-])c1 ZINC000084706689 562750059 /nfs/dbraw/zinc/75/00/59/562750059.db2.gz VYWJWPHQARVMJE-UHFFFAOYSA-N -1 0 561.615 7.163 1 0 KKAFRM O=C([O-])c1c(=O)[nH]c(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc(Cl)cc1 ZINC000084723597 562751133 /nfs/dbraw/zinc/75/11/33/562751133.db2.gz YMLDIVZZDOLRLE-UHFFFAOYSA-N -1 0 658.907 5.659 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1cc(F)ccc1F)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724832 562751211 /nfs/dbraw/zinc/75/12/11/562751211.db2.gz MFOHCQKSWDSUDO-XMMPIXPASA-N -1 0 579.612 8.263 1 0 KKAFRM CO[C@H]1Sc2c(-c3cn(C)c4ccccc34)c(COc3cccc4ccccc43)cc(=O)n2[C@@H]1C(=O)[O-] ZINC000084728982 562751494 /nfs/dbraw/zinc/75/14/94/562751494.db2.gz WSQUTHOWAHHUOV-UHSQPCAPSA-N -1 0 512.587 5.443 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(=O)[O-])c2)cc1)Cc1cc(F)cc(F)c1 ZINC000084738668 562751900 /nfs/dbraw/zinc/75/19/00/562751900.db2.gz SUMDKKPJNURZEW-UHFFFAOYSA-N -1 0 600.615 6.246 1 0 KKAFRM CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(CC(=O)[O-])c3)cc2)C(C)C)c1 ZINC000084758091 562752523 /nfs/dbraw/zinc/75/25/23/562752523.db2.gz ZBLQJKGQWGEZPP-UHFFFAOYSA-N -1 0 545.676 6.534 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCC(=O)N3CCC[C@H]3C(=O)NCCCCCCO[P@@](=O)([O-])Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000095539757 562755270 /nfs/dbraw/zinc/75/52/70/562755270.db2.gz PGEFLSVUJFVTNH-KDXMTYKHSA-N -1 0 818.352 7.951 1 0 KKAFRM CC(=O)N1[C@H](C)CN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000095543459 562757268 /nfs/dbraw/zinc/75/72/68/562757268.db2.gz DQBLELUNCAAOGV-LOYHVIPDSA-N -1 0 771.380 6.655 1 0 KKAFRM COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCCC(=O)[O-])CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545511 562758126 /nfs/dbraw/zinc/75/81/26/562758126.db2.gz KVYXGCNCFPIESF-LDLOPFEMSA-N -1 0 751.708 7.003 1 0 KKAFRM O=C(Nc1cc(C(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(Cl)cc1)c1cc(I)cc(I)c1[O-] ZINC000095547006 562758671 /nfs/dbraw/zinc/75/86/71/562758671.db2.gz LXHTXRZCFIWDPF-UHFFFAOYSA-N -1 0 730.123 8.184 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000095547776 562758882 /nfs/dbraw/zinc/75/88/82/562758882.db2.gz SVDUEIPLOOODBA-WZDZUFSDSA-N -1 0 785.894 7.067 1 0 KKAFRM CC(C)(C)[C@H](O)COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)nn1-c1ccccc1F ZINC000095554890 562761433 /nfs/dbraw/zinc/76/14/33/562761433.db2.gz CJBHOJKSJDWOEZ-GHTZIAJQSA-N -1 0 538.403 5.050 1 0 KKAFRM CC(C)(C)[C@@H](O)COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)nn1-c1ccccc1F ZINC000095556199 562761691 /nfs/dbraw/zinc/76/16/91/562761691.db2.gz CJBHOJKSJDWOEZ-RXVVDRJESA-N -1 0 538.403 5.050 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)[O-])OC4(C)C)[C@@H](O)[C@H]2C3=O ZINC000095558139 562762373 /nfs/dbraw/zinc/76/23/73/562762373.db2.gz LJUARHDVFLLQMF-GYZZAEKCSA-N -1 0 646.777 6.290 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000095567558 562765931 /nfs/dbraw/zinc/76/59/31/562765931.db2.gz AJCQMFWCIYOZOU-ZCYQVOJMSA-N -1 0 542.451 5.654 3 0 KKAFRM O=C([O-])C1=CC[C@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000095569027 562767107 /nfs/dbraw/zinc/76/71/07/562767107.db2.gz NTPZHGUMRRCCLA-PKTZIBPZSA-N -1 0 524.372 6.160 3 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccc5ncccc5c3)c4C3CCCC3)ccc21 ZINC000095572106 562769299 /nfs/dbraw/zinc/76/92/99/562769299.db2.gz FSLHTJKHZACWMY-UHFFFAOYSA-N -1 0 627.745 7.388 1 0 KKAFRM CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(Cc2nnn[n-]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095572209 562769312 /nfs/dbraw/zinc/76/93/12/562769312.db2.gz JJARPYJBPOGMTN-YEPCPMPXSA-N -1 0 558.510 5.933 1 0 KKAFRM Cc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)cs1 ZINC000095572152 562769357 /nfs/dbraw/zinc/76/93/57/562769357.db2.gz XSRNQQTUWHYHGA-XNTDXEJSSA-N -1 0 582.726 6.657 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1cccc(N)n1 ZINC000095573267 562769648 /nfs/dbraw/zinc/76/96/48/562769648.db2.gz FLBBIJRWUURIRG-SFQUDFHCSA-N -1 0 577.685 5.869 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(CCc2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095573527 562769732 /nfs/dbraw/zinc/76/97/32/562769732.db2.gz JFQAUIOOCXHRRC-LJAQVGFWSA-N -1 0 551.048 9.692 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@@](C)(COCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095574086 562769898 /nfs/dbraw/zinc/76/98/98/562769898.db2.gz PVYONNKWQLSIMS-PKIAKLFDSA-N -1 0 504.752 7.834 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cc1 ZINC000095576512 562770652 /nfs/dbraw/zinc/77/06/52/562770652.db2.gz RRBSHDSOFMAHJG-VXLYETTFSA-N -1 0 584.116 7.401 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000095576491 562770671 /nfs/dbraw/zinc/77/06/71/562770671.db2.gz KBQRHEVOBYQPPE-QGOAFFKASA-N -1 0 550.659 6.143 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C4CCCC4)c3)cc2C(C)(C)C)c1 ZINC000095577256 562770875 /nfs/dbraw/zinc/77/08/75/562770875.db2.gz NCSCCPLHMDCSQG-MHZLTWQESA-N -1 0 504.642 8.126 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)nc1 ZINC000095579723 562771619 /nfs/dbraw/zinc/77/16/19/562771619.db2.gz KZFLORMCJWRBTO-WOJGMQOQSA-N -1 0 580.685 6.151 1 0 KKAFRM CC(C)C[C@@H](C(=O)[O-])c1cc(/C=C/c2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095580043 562771749 /nfs/dbraw/zinc/77/17/49/562771749.db2.gz CNPQBJITUPONAD-WYMBIAILSA-N -1 0 549.032 10.078 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3csc(C)n3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095580211 562771780 /nfs/dbraw/zinc/77/17/80/562771780.db2.gz CGKWBVJEBUIXPQ-LVZFUZTISA-N -1 0 596.753 7.047 1 0 KKAFRM CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)cs1 ZINC000095580199 562771782 /nfs/dbraw/zinc/77/17/82/562771782.db2.gz HRACCWZQDBTBFG-XNTDXEJSSA-N -1 0 625.751 6.307 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2-c2ccccc2)c(F)c1 ZINC000095580912 562772012 /nfs/dbraw/zinc/77/20/12/562772012.db2.gz GFHFAUNWJDMLKX-UHFFFAOYSA-N -1 0 527.002 6.381 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(-c5cc6ccc([O-])cc6oc5=O)nn4)[C@H]3[C@@H]1CC[C@@H]2O ZINC000095582506 562772600 /nfs/dbraw/zinc/77/26/00/562772600.db2.gz YPLWXUBAJNIFDO-UGVMDCGZSA-N -1 0 555.675 5.641 1 0 KKAFRM COc1ccc2c(c1)c(CC(=O)[N-]S(=O)(=O)c1ccc3ccccc3c1)cn2C(=O)c1ccc(Cl)cc1 ZINC000095582625 562772663 /nfs/dbraw/zinc/77/26/63/562772663.db2.gz XBDCTALAISSYFD-UHFFFAOYSA-N -1 0 533.005 5.193 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccc(Cl)nn2)cc1F ZINC000095582934 562772772 /nfs/dbraw/zinc/77/27/72/562772772.db2.gz LHUITYPTBUGSKO-UHFFFAOYSA-N -1 0 549.890 5.539 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2cn[nH]c2)cc1F ZINC000095583629 562772941 /nfs/dbraw/zinc/77/29/41/562772941.db2.gz JTDLJANITSXRNC-UHFFFAOYSA-N -1 0 518.901 5.938 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cncc(CO)c2)cc1F ZINC000095584191 562773158 /nfs/dbraw/zinc/77/31/58/562773158.db2.gz WEXFYWPYAAGXEK-UHFFFAOYSA-N -1 0 559.950 6.102 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)c(Cl)c1 ZINC000095584376 562773253 /nfs/dbraw/zinc/77/32/53/562773253.db2.gz OCMYWVABLBRHFF-UHFFFAOYSA-N -1 0 529.909 5.140 1 0 KKAFRM Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)ccn1 ZINC000095584578 562773306 /nfs/dbraw/zinc/77/33/06/562773306.db2.gz ZBLJCRUIKJFRMI-UHFFFAOYSA-N -1 0 512.375 5.221 1 0 KKAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095585012 562773411 /nfs/dbraw/zinc/77/34/11/562773411.db2.gz ZYICYOLGMYRIMA-PXLJZGITSA-N -1 0 795.782 6.784 1 0 KKAFRM Cn1nccc1-c1nc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Cl ZINC000095585293 562773551 /nfs/dbraw/zinc/77/35/51/562773551.db2.gz NEQWANUCZNWNFZ-UHFFFAOYSA-N -1 0 533.916 5.343 1 0 KKAFRM Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncccn3)cc2Cl)ccn1 ZINC000095585665 562773648 /nfs/dbraw/zinc/77/36/48/562773648.db2.gz MKPOZUSXBRLWIT-UHFFFAOYSA-N -1 0 506.346 5.160 1 0 KKAFRM CC(C)(C)OC(=O)n1cc(C[C@H](NC(=O)[C@H](Cc2ccc3c(c2)CO[P@](=O)([O-])O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)c2ccccc21 ZINC000095585765 562773703 /nfs/dbraw/zinc/77/37/03/562773703.db2.gz JOGMIBYGNFHKNH-HEVIKAOCSA-N -1 0 780.771 6.097 1 0 KKAFRM Cc1cccc(C(C)C)c1C(=O)N[C@@H](Cc1ccc(-c2c(=O)n(C)c(C)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000095586571 562773973 /nfs/dbraw/zinc/77/39/73/562773973.db2.gz QWKCHTVWYPJVFD-QFIPXVFZSA-N -1 0 514.544 5.237 1 0 KKAFRM COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)[O-])cc1OC ZINC000095586995 562774170 /nfs/dbraw/zinc/77/41/70/562774170.db2.gz HTYCVVAAKRVDGM-IPXXLZSSSA-N -1 0 568.622 6.114 1 0 KKAFRM Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c(=O)n1Cc1ccccc1 ZINC000095586987 562774178 /nfs/dbraw/zinc/77/41/78/562774178.db2.gz PKPQFKVOUWIHGY-DEOSSOPVSA-N -1 0 603.424 6.623 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3cccc(CC(=O)[O-])c3)CC2)nc1 ZINC000095589509 562774991 /nfs/dbraw/zinc/77/49/91/562774991.db2.gz QTUZWWMPCWBLRT-UHFFFAOYSA-N -1 0 575.665 6.978 1 0 KKAFRM O=S(=O)([N-]c1cc(C(F)(F)F)c(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000095590892 562775382 /nfs/dbraw/zinc/77/53/82/562775382.db2.gz PQZDPDLJIUSAGV-UHFFFAOYSA-N -1 0 565.706 7.673 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(Br)c1 ZINC000095606098 562781932 /nfs/dbraw/zinc/78/19/32/562781932.db2.gz KTOVMENFQHMDCE-SNXGKTBFSA-N -1 0 813.051 7.595 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000095608116 562783389 /nfs/dbraw/zinc/78/33/89/562783389.db2.gz VCEXHCDHGCCCHI-UHFFFAOYSA-N -1 0 739.337 9.994 1 0 KKAFRM COc1ccc2c(c1)nc(-c1csc(NC(C)=O)n1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000095609563 562783814 /nfs/dbraw/zinc/78/38/14/562783814.db2.gz DHNZJGURMYHJHM-VTUXAIMNSA-N -1 0 762.886 5.047 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(Cc3ccccc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000095610108 562784196 /nfs/dbraw/zinc/78/41/96/562784196.db2.gz HKYHDYGVHADEEB-AMHIYOHNSA-N -1 0 823.905 8.392 1 0 KKAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccccc4)cccc32)C(=O)[O-])cc1 ZINC000095612363 562785453 /nfs/dbraw/zinc/78/54/53/562785453.db2.gz HUEGPYLGWYYQEQ-UMSFTDKQSA-N -1 0 753.855 6.550 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1cccc(F)c1)c1ccncc1 ZINC000095613401 562786267 /nfs/dbraw/zinc/78/62/67/562786267.db2.gz WOAURBBOWOMXHS-SISPBFPDSA-N -1 0 755.867 12.345 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccc(Cl)c(F)c1)c1ccncc1 ZINC000095615398 562787271 /nfs/dbraw/zinc/78/72/71/562787271.db2.gz CPGUVJYKAUPJJJ-XOKHWMEBSA-N -1 0 790.312 12.998 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CCN(c3ccccn3)CC2)cc1 ZINC000095615851 562787579 /nfs/dbraw/zinc/78/75/79/562787579.db2.gz ZEDODFLOKGOETF-UHFFFAOYSA-N -1 0 778.375 6.931 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccc(Cl)cc1)c2=O ZINC000096169969 562790937 /nfs/dbraw/zinc/79/09/37/562790937.db2.gz BQQNXENLBUEQAV-UHFFFAOYSA-N -1 0 599.068 5.382 1 0 KKAFRM COc1cc(F)ccc1C(=O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c1=O ZINC000096169971 562790949 /nfs/dbraw/zinc/79/09/49/562790949.db2.gz OTQZRLIQTXWOIP-UHFFFAOYSA-N -1 0 642.640 5.743 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1ccccc1OC)c2=O ZINC000096169966 562790961 /nfs/dbraw/zinc/79/09/61/562790961.db2.gz PSAYRRIZNJDJPE-UHFFFAOYSA-N -1 0 594.649 5.150 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(C[C@H](OC(C)=O)c1ccc(OC)cc1)c2=O ZINC000096169986 562790995 /nfs/dbraw/zinc/79/09/95/562790995.db2.gz COYUOHHAJJKUMT-LJAQVGFWSA-N -1 0 656.692 5.710 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)c1sccc1Br)c2=O ZINC000096170005 562791005 /nfs/dbraw/zinc/79/10/05/562791005.db2.gz PDTCRLQHYFYEIG-UHFFFAOYSA-N -1 0 649.548 5.965 1 0 KKAFRM Cc1cc(O[C@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C2CCC2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000096170533 562791132 /nfs/dbraw/zinc/79/11/32/562791132.db2.gz CLTIPYUCTVVDMY-VWLOTQADSA-N -1 0 515.532 5.633 1 0 KKAFRM Cc1cc(-n2cc(C(F)(F)F)cn2)ccc1[C@H](Nc1ccc(C(=O)NCCC(=O)[O-])cn1)C1CCCCC1 ZINC000096170500 562791148 /nfs/dbraw/zinc/79/11/48/562791148.db2.gz JJPWRRLNNWIOGE-RUZDIDTESA-N -1 0 529.563 5.533 1 0 KKAFRM COC(=O)c1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])cc1 ZINC000096171965 562791191 /nfs/dbraw/zinc/79/11/91/562791191.db2.gz MJISYJIYVLWHKW-PGMATYEBSA-N -1 0 654.845 5.168 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1F)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171983 562791199 /nfs/dbraw/zinc/79/11/99/562791199.db2.gz QFXNGNXYUXXXSL-GCDLXZGJSA-N -1 0 614.799 5.521 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171962 562791204 /nfs/dbraw/zinc/79/12/04/562791204.db2.gz FBDFYVDXBPVMIO-VSDBRFRMSA-N -1 0 652.917 6.679 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OC(C)(C)C(C)(C)O3)c2ncnn21 ZINC000096178283 562792628 /nfs/dbraw/zinc/79/26/28/562792628.db2.gz TWMHGBLCHOFHRV-UHFFFAOYSA-N -1 0 624.742 5.860 1 0 KKAFRM CC(C)(C)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)[C@H](Cc2ccc(NC(=O)C(=O)[O-])cc2)c2nc3ccccc3o2)cc1 ZINC000096258544 562792859 /nfs/dbraw/zinc/79/28/59/562792859.db2.gz BIUBEXLIOLBQRQ-UUWRZZSWSA-N -1 0 681.855 7.762 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000096258546 562792890 /nfs/dbraw/zinc/79/28/90/562792890.db2.gz TUZWLNIKNHVTEJ-NDEPHWFRSA-N -1 0 737.631 6.964 1 0 KKAFRM CCC[C@@H](Nc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096269724 562793021 /nfs/dbraw/zinc/79/30/21/562793021.db2.gz ZMVDPNZXYJQAIH-JOCHJYFZSA-N -1 0 502.537 5.666 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(C2CCCCC2)=NO1 ZINC000096271087 562793633 /nfs/dbraw/zinc/79/36/33/562793633.db2.gz SWPKTYJPTFAMPD-KDYSTLNUSA-N -1 0 546.451 5.473 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271147 562793683 /nfs/dbraw/zinc/79/36/83/562793683.db2.gz ZSUBPYIGOCDCDV-RWSKJCERSA-N -1 0 695.750 6.312 1 0 KKAFRM C/C(=C\COC(=O)[C@]1(C)CCc2c(C)c(OCC(=O)[O-])c(C)c(C)c2O1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272099 562793971 /nfs/dbraw/zinc/79/39/71/562793971.db2.gz GLIRWLJIRNITTL-AKEDDYNISA-N -1 0 586.854 9.088 1 0 KKAFRM O=C([O-])CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5ccc(-c6ccccc6)cc5)ccc4[nH]3)cc2)CC1 ZINC000096273603 562794591 /nfs/dbraw/zinc/79/45/91/562794591.db2.gz HOOBTXRTWSGPQP-UHFFFAOYSA-N -1 0 529.640 7.898 1 0 KKAFRM O=C([O-])CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5nc(-c6ccccc6C(F)(F)F)oc5C(F)(F)F)ccc4[nH]3)cc2)CC1 ZINC000096273601 562794617 /nfs/dbraw/zinc/79/46/17/562794617.db2.gz VISLLGQHEHMGGM-UHFFFAOYSA-N -1 0 656.583 8.923 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283769 562794967 /nfs/dbraw/zinc/79/49/67/562794967.db2.gz NTMPGUAYNNAYJT-HSZRJFAPSA-N -1 0 567.951 6.410 1 0 KKAFRM COc1cccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000096283761 562794970 /nfs/dbraw/zinc/79/49/70/562794970.db2.gz NTOHDRUSOCIMDE-XMMPIXPASA-N -1 0 529.980 5.400 1 0 KKAFRM O=C([O-])CCCN1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283778 562794979 /nfs/dbraw/zinc/79/49/79/562794979.db2.gz OZPRBKHEJARIRN-DEOSSOPVSA-N -1 0 520.416 6.518 1 0 KKAFRM COC(=O)c1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000096283829 562795038 /nfs/dbraw/zinc/79/50/38/562795038.db2.gz WIWFEQWFWKMJQZ-XMMPIXPASA-N -1 0 557.990 5.178 1 0 KKAFRM COC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000096284650 562795243 /nfs/dbraw/zinc/79/52/43/562795243.db2.gz YDSXLKBOTPRNLX-UHFFFAOYSA-N -1 0 684.811 6.657 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccncc2)cc1 ZINC000096284663 562795248 /nfs/dbraw/zinc/79/52/48/562795248.db2.gz CMDQFBGUEYVUSR-UHFFFAOYSA-N -1 0 627.763 6.266 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2F)cc1 ZINC000096284688 562795256 /nfs/dbraw/zinc/79/52/56/562795256.db2.gz YIOFLWZUUUDFKM-UHFFFAOYSA-N -1 0 644.765 7.010 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000096284672 562795259 /nfs/dbraw/zinc/79/52/59/562795259.db2.gz YHJLSFBQBCFXPX-UHFFFAOYSA-N -1 0 710.771 7.769 1 0 KKAFRM COC(=O)c1cccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000096284696 562795262 /nfs/dbraw/zinc/79/52/62/562795262.db2.gz XZJYWUIQXNPKJN-UHFFFAOYSA-N -1 0 760.734 7.045 1 0 KKAFRM O=C([O-])c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 ZINC000096285400 562795674 /nfs/dbraw/zinc/79/56/74/562795674.db2.gz FXULQZUSZUIYOW-LJAQVGFWSA-N -1 0 591.108 5.848 1 0 KKAFRM O=C([O-])c1cc(F)ccc1NC(=O)c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCc2c[nH]c3ccccc23)sc1-c1ccccc1 ZINC000096285492 562795761 /nfs/dbraw/zinc/79/57/61/562795761.db2.gz JWIKGZSBQVZUDT-QNGWXLTQSA-N -1 0 738.841 8.993 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1[C@@H](O)[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)[O-])(C3=O)[C@]41O2 ZINC000096888316 562796662 /nfs/dbraw/zinc/79/66/62/562796662.db2.gz QYRPARUSUFWOPG-TVPWTEDRSA-N -1 0 648.793 6.320 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1[C@H](O)[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)[O-])(C3=O)[C@]41O2 ZINC000096888313 562796667 /nfs/dbraw/zinc/79/66/67/562796667.db2.gz QYRPARUSUFWOPG-FVARKIMDSA-N -1 0 648.793 6.320 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c6ccccc6[nH]c5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096902174 562797279 /nfs/dbraw/zinc/79/72/79/562797279.db2.gz OKFVMNPXZYRKPX-QEIDBPMISA-N -1 0 640.953 9.599 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096902416 562797402 /nfs/dbraw/zinc/79/74/02/562797402.db2.gz KEGMBAMKAIHQGZ-KVZMVSQCSA-N -1 0 637.909 8.104 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096903745 562798007 /nfs/dbraw/zinc/79/80/07/562798007.db2.gz BCXSOQVGNYGTAC-IOFOJBOXSA-N -1 0 674.970 9.795 1 0 KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1 ZINC000100032114 562806180 /nfs/dbraw/zinc/80/61/80/562806180.db2.gz BAFQQVRHIFJZMP-GIGWZHCTSA-N -1 0 604.647 6.867 1 0 KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@@H](CC)c2cccc([N-]S(=O)(=O)c3ccc(N)cn3)c2)C(=O)O1 ZINC000100032087 562806210 /nfs/dbraw/zinc/80/62/10/562806210.db2.gz XSDWBXWFQFLGKW-OUTSHDOLSA-N -1 0 551.665 5.430 1 0 KKAFRM O=c1cc(C(CC2CC2)CC2CC2)oc([O-])c1[C@@H](c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100909354 562808520 /nfs/dbraw/zinc/80/85/20/562808520.db2.gz BFWDTFXPCUQCAN-GDLZYMKVSA-N -1 0 536.665 6.684 1 0 KKAFRM O=C([O-])[C@H]1CC[C@@H](Nc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1 ZINC000101205056 562809997 /nfs/dbraw/zinc/80/99/97/562809997.db2.gz URZCVPKXOJQTLC-GKWHILSKSA-N -1 0 602.597 6.803 1 0 KKAFRM COc1ccc(-c2c(C(F)(F)F)[n-]n3c2nc(-c2cc(F)c(Cl)nc2Cl)cc3=O)cc1OC ZINC000101404868 562810579 /nfs/dbraw/zinc/81/05/79/562810579.db2.gz DOHUUNVTRYMCEX-UHFFFAOYSA-N -1 0 503.239 5.234 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101428846 562810654 /nfs/dbraw/zinc/81/06/54/562810654.db2.gz HJJRLNWKWBKVNV-LJAQVGFWSA-N -1 0 602.653 7.590 1 0 KKAFRM Cn1c(=O)c([C@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2)c([O-])c2ccccc21 ZINC000101428830 562810688 /nfs/dbraw/zinc/81/06/88/562810688.db2.gz XDCZRAVAUSOLBO-GDLZYMKVSA-N -1 0 596.605 7.324 1 0 KKAFRM CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCCCC(=O)OC[C@H](O)[C@@H]1OC(=O)C(O)=C1[O-] ZINC000101718001 562812024 /nfs/dbraw/zinc/81/20/24/562812024.db2.gz YFOBFUQOJMURSO-WDEPOUFUSA-N -1 0 551.721 5.634 1 0 KKAFRM COc1c(NC(=O)[C@H]2CC[C@H](COc3cccc(F)c3F)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000103023646 562814061 /nfs/dbraw/zinc/81/40/61/562814061.db2.gz IIBHSQIWVNKJKK-GASCZTMLSA-N -1 0 544.526 5.284 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC(=O)[C@H]3CC[C@@H](COc4c(C)cccc4C)CC3)c(F)c21 ZINC000103026209 562814079 /nfs/dbraw/zinc/81/40/79/562814079.db2.gz MLONMKXZQHZFDL-IYARVYRRSA-N -1 0 512.553 5.439 1 0 KKAFRM CCCOC(=O)C(=Cc1ccc(O)cc1)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169274 562814725 /nfs/dbraw/zinc/81/47/25/562814725.db2.gz VIIJSIWRNSOCOO-WWNGRIQCSA-N -1 0 503.576 5.572 1 0 KKAFRM CCCOC(=O)C(=Cc1cccc(OC)c1OC)c1ccc(Oc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)cc1 ZINC000103169254 562814734 /nfs/dbraw/zinc/81/47/34/562814734.db2.gz YDZCSBNRCSQDCU-INZJWMLVSA-N -1 0 547.629 5.884 1 0 KKAFRM CCOc1ccc(OCC)c(SC2=C([O-])C[C@@](COc3cccc4ccccc43)(c3ccccc3)OC2=O)c1 ZINC000103220095 562817413 /nfs/dbraw/zinc/81/74/13/562817413.db2.gz SVPKNDUGSSIVMI-JGCGQSQUSA-N -1 0 542.653 7.420 1 0 KKAFRM Cc1c2cc(C(=O)NC3(c4nc5cc(/C=C/C(=O)[O-])ccc5n4C)CCC3)ccc2n(C2CCCC2)c1-c1ccccn1 ZINC000103241662 562819571 /nfs/dbraw/zinc/81/95/71/562819571.db2.gz HRVRWKNNNBGHHN-FOWTUZBSSA-N -1 0 573.697 6.921 1 0 KKAFRM CCCN(C(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-])C(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000103242719 562819659 /nfs/dbraw/zinc/81/96/59/562819659.db2.gz QMOBSRQMXZNEFX-DEOSSOPVSA-N -1 0 545.488 6.609 1 0 KKAFRM CC[C@@H](CN(C)S(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243819 562819692 /nfs/dbraw/zinc/81/96/92/562819692.db2.gz DSXCZCSHMQWYGJ-NANZAVOOSA-N -1 0 597.605 6.370 1 0 KKAFRM CN(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243829 562819700 /nfs/dbraw/zinc/81/97/00/562819700.db2.gz MSXCWPOUNUGTHO-JTOATPROSA-N -1 0 567.535 5.202 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243846 562819708 /nfs/dbraw/zinc/81/97/08/562819708.db2.gz UKUKMRCKUSKOMK-CXQACEEJSA-N -1 0 554.536 6.133 1 0 KKAFRM CC(C)S(=O)(=O)C[C@H](C)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243875 562819727 /nfs/dbraw/zinc/81/97/27/562819727.db2.gz WJUKBESBHCPMGS-SBFPKLLXSA-N -1 0 540.509 5.743 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(C)(=O)=O)C2CC2)C1=O ZINC000103248033 562820016 /nfs/dbraw/zinc/82/00/16/562820016.db2.gz MHIVCWTYRMHMGG-HLMLHLEXSA-N -1 0 538.493 5.355 1 0 KKAFRM CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C(=O)[O-])(c5ccccc5)CC4)nc3)cc(-c3ccccn3)c2s1 ZINC000103248732 562820107 /nfs/dbraw/zinc/82/01/07/562820107.db2.gz PCQLZNPLABVNRW-UHFFFAOYSA-N -1 0 579.686 5.580 1 0 KKAFRM CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC[C@](C)(C(=O)[O-])CC4)nc3)cc(-c3ccccn3)c2s1 ZINC000103248778 562820146 /nfs/dbraw/zinc/82/01/46/562820146.db2.gz DVHHHIADFLWGRF-MHZLTWQESA-N -1 0 531.642 5.038 1 0 KKAFRM C[C@@]1(c2nc3ccccc3s2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103256650 562820870 /nfs/dbraw/zinc/82/08/70/562820870.db2.gz QKEDYULXVMFFDO-PMERELPUSA-N -1 0 556.619 5.972 1 0 KKAFRM COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000103259774 562821092 /nfs/dbraw/zinc/82/10/92/562821092.db2.gz FDMYOEAMRHHXRR-UHFFFAOYSA-N -1 0 573.597 5.292 1 0 KKAFRM CCCc1nn2ccc(-c3nc4ccccc4n3CCC)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263770 562821788 /nfs/dbraw/zinc/82/17/88/562821788.db2.gz MQQYKWVMSLKOLR-UHFFFAOYSA-N -1 0 528.656 7.670 1 0 KKAFRM CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000103268323 562822674 /nfs/dbraw/zinc/82/26/74/562822674.db2.gz VHUGLVDYUGDVSX-WFRQAISTSA-N -1 0 556.784 7.346 1 0 KKAFRM Cn1c2cc(C(=O)NC3(c4nc5ccc(/C=C/C(=O)[O-])cc5n4C)CCC3)ccc2c2c1CCCC21CCCCC1 ZINC000103268702 562822698 /nfs/dbraw/zinc/82/26/98/562822698.db2.gz CSXSBZMJYDEKSC-GXDHUFHOSA-N -1 0 550.703 6.510 1 0 KKAFRM Cc1ccc(C[C@H](NC(=O)C[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(=O)[O-])cc1 ZINC000103281232 562823587 /nfs/dbraw/zinc/82/35/87/562823587.db2.gz FQVPNGKYWPHCTI-SMGJSYKSSA-N -1 0 631.942 8.660 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](Cc5ccccc5)CC[C@]43C)[C@@H]2C1 ZINC000103288568 562823934 /nfs/dbraw/zinc/82/39/34/562823934.db2.gz PECNJJVDRYCPNG-UQHUKLANSA-N -1 0 530.837 9.732 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])CC[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 ZINC000103294904 562824457 /nfs/dbraw/zinc/82/44/57/562824457.db2.gz XVASFSUFISWOJD-QWNSIINOSA-N -1 0 652.360 9.005 1 0 KKAFRM CSCC[C@@H](NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000103296399 562824545 /nfs/dbraw/zinc/82/45/45/562824545.db2.gz 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C=Cc1cc([C@@H](NC(=O)OC2CCCC2)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599993 562847073 /nfs/dbraw/zinc/84/70/73/562847073.db2.gz LJZZAIIFWGACHA-PSXMRANNSA-N -1 0 815.827 8.074 1 0 KKAFRM C=Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600954 562847210 /nfs/dbraw/zinc/84/72/10/562847210.db2.gz BFJAIYQABNCWFG-UUWRZZSWSA-N -1 0 803.816 7.930 1 0 KKAFRM COc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c([N-]S(C)(=O)=O)c1 ZINC000150603126 562847403 /nfs/dbraw/zinc/84/74/03/562847403.db2.gz XIKHPFHYUYLQDN-DEOSSOPVSA-N -1 0 647.480 5.538 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]2C1 ZINC000150604329 562847636 /nfs/dbraw/zinc/84/76/36/562847636.db2.gz YUGQTUXWJYXLLJ-KMCVGVHFSA-N -1 0 787.936 5.176 1 0 KKAFRM COc1ccccc1C[C@@H](NC(=O)C[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000150610041 562848325 /nfs/dbraw/zinc/84/83/25/562848325.db2.gz QBYQVNXSYQXXDW-DPAZPEAVSA-N -1 0 647.941 8.360 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C(=O)N(C)C)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165418132 562850256 /nfs/dbraw/zinc/85/02/56/562850256.db2.gz UITFFAUDDKECIH-XBEANPFOSA-N -1 0 741.955 5.926 1 0 KKAFRM COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)[N-]S(=O)(=O)C4CC4)NC3=O)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000165846239 562850304 /nfs/dbraw/zinc/85/03/04/562850304.db2.gz PKNUXIOQJNBALD-GXCYPRJYSA-N -1 0 759.351 5.146 1 0 KKAFRM Cc1ccc(COc2ccc(C[C@H](NC(=O)c3cc4ccc(-c5ccc(Cl)cc5)cc4o3)C(=O)[O-])cc2)cc1 ZINC000169104701 562851619 /nfs/dbraw/zinc/85/16/19/562851619.db2.gz ZKUKYYHPWKBROO-NDEPHWFRSA-N -1 0 540.015 7.066 1 0 KKAFRM O=C([O-])c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccn2)c1 ZINC000169130315 562851627 /nfs/dbraw/zinc/85/16/27/562851627.db2.gz SHBRUTWFWUZDLM-UHFFFAOYSA-N -1 0 500.408 6.369 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C(F)(F)F)N2C)c1 ZINC000169294949 562852322 /nfs/dbraw/zinc/85/23/22/562852322.db2.gz JVAGOTMUORBIKU-VABKMULXSA-N -1 0 501.511 7.674 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000169298370 562852662 /nfs/dbraw/zinc/85/26/62/562852662.db2.gz RSKOPEQHBSFOLQ-LAVUNAEISA-N -1 0 568.795 7.060 1 0 KKAFRM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000169302585 562853125 /nfs/dbraw/zinc/85/31/25/562853125.db2.gz VLDQXBADIHYEAG-UHFFFAOYSA-N -1 0 509.609 5.189 1 0 KKAFRM O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000169303314 562853203 /nfs/dbraw/zinc/85/32/03/562853203.db2.gz JYHINQXDURAWQJ-UHFFFAOYSA-N -1 0 504.515 5.277 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307587 562853878 /nfs/dbraw/zinc/85/38/78/562853878.db2.gz CFPKREAUMGRDCF-XWVZOOPGSA-N -1 0 542.481 5.080 1 0 KKAFRM CC[C@@H](CS(=O)(=O)c1ccccc1)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307589 562853883 /nfs/dbraw/zinc/85/38/83/562853883.db2.gz OYIOIAVUIFVMQO-BMJBQGFASA-N -1 0 576.498 5.730 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@](C)(Cc2nnn[n-]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307801 562853947 /nfs/dbraw/zinc/85/39/47/562853947.db2.gz KENRSCUSWCVFPT-ZJTSJXPUSA-N -1 0 592.593 5.805 1 0 KKAFRM CC(C)(C)n1nnnc1[C@@H](c1cccc2ccccc21)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308610 562854156 /nfs/dbraw/zinc/85/41/56/562854156.db2.gz YGFPSGRIQMHIIR-MGBGTMOVSA-N -1 0 713.736 6.712 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4nnnn4C4CCCCC4)c4cccc5ccccc54)CC3)c(F)cc2c1=O ZINC000169308632 562854185 /nfs/dbraw/zinc/85/41/85/562854185.db2.gz HHARYIPSJIFIRO-PSXMRANNSA-N -1 0 739.774 7.462 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)[C@H](CCCCNC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)CC3)c(F)cc2c1=O ZINC000169309681 562854460 /nfs/dbraw/zinc/85/44/60/562854460.db2.gz XHZPCFMZTKAOTH-YTTGMZPUSA-N -1 0 727.790 5.214 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc([C@@H](F)C(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169310014 562854570 /nfs/dbraw/zinc/85/45/70/562854570.db2.gz GETYJEOBBNSQJM-KHSVQJSGSA-N -1 0 713.696 7.982 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169313224 562855590 /nfs/dbraw/zinc/85/55/90/562855590.db2.gz TZWQVYGBPOVEEF-AKDTZJJNSA-N -1 0 658.667 7.300 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000169313934 562855687 /nfs/dbraw/zinc/85/56/87/562855687.db2.gz SMYVEFMVXNJHAL-MYJYVMOBSA-N -1 0 684.958 9.986 1 0 KKAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOC4=C(c5ccccc5OCc5ccccc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169325667 562857655 /nfs/dbraw/zinc/85/76/55/562857655.db2.gz VZNASQAEUBCZBC-UHFFFAOYSA-N -1 0 693.703 5.653 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(CCC(=O)OCc3ccccc3)c(OCC(=O)[O-])c2)cc1 ZINC000169329531 562858560 /nfs/dbraw/zinc/85/85/60/562858560.db2.gz MABDMOVVYYRPAS-UHFFFAOYSA-N -1 0 609.679 6.268 1 0 KKAFRM Cc1c(C)c2c(c(C)c1CCCCCCNC(=O)OCc1ccccc1)CC[C@@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000169331810 562859048 /nfs/dbraw/zinc/85/90/48/562859048.db2.gz FVLRZXZIOCHORS-RSMKXLQPSA-N -1 0 656.845 8.128 1 0 KKAFRM [NH3+][C@H](Cc1cc(Br)c(Oc2cc(Br)c([O-])c(Br)c2)c(Br)c1)C(=O)[O-] ZINC000169342217 562860960 /nfs/dbraw/zinc/86/09/60/562860960.db2.gz MMYXUHIKRVTMFN-GFCCVEGCSA-N -1 0 588.872 5.189 1 0 KKAFRM Cc1ccc(-c2coc([N-]c3cc(-c4ccc(C)cc4)n(-c4nc(-c5ccc(C)cc5)cs4)n3)n2)cc1 ZINC000169350090 562862731 /nfs/dbraw/zinc/86/27/31/562862731.db2.gz FBMUMJPESIPBED-UHFFFAOYSA-N -1 0 503.631 7.987 1 0 KKAFRM COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)[O-])c6)c5c4)cc32)c1 ZINC000169354105 562863612 /nfs/dbraw/zinc/86/36/12/562863612.db2.gz NBBFKEGVAMAGBT-UHFFFAOYSA-N -1 0 514.581 6.844 1 0 KKAFRM COc1ccc2cc([C@H](C)C(=O)Oc3cccc(Cn4cc5c(n4)C[C@@H]4C[C@@H](O)[C@H]6[C@@H]7CC[C@@H]([C@H](C)CCC(=O)NCC(=O)[O-])[C@@]7(C)CC[C@@H]6[C@@]4(C)C5)c3)ccc2c1 ZINC000169359729 562864088 /nfs/dbraw/zinc/86/40/88/562864088.db2.gz IUSPIGYVZNHOPO-XCGVWBRASA-N -1 0 790.014 7.964 1 0 KKAFRM CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(Cl)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2F)[nH]1 ZINC000169694678 562865552 /nfs/dbraw/zinc/86/55/52/562865552.db2.gz BTCXJAYHFAUMCE-UHFFFAOYSA-N -1 0 536.967 5.285 1 0 KKAFRM 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\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000169702673 562868538 /nfs/dbraw/zinc/86/85/38/562868538.db2.gz FSFUVODFJRFRKJ-DFZPPCCLSA-N -1 0 770.374 5.599 1 0 KKAFRM COc1ccc(CC(=O)[O-])cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705657 562869534 /nfs/dbraw/zinc/86/95/34/562869534.db2.gz YUSJOHFHBXWXSP-AREMUKBSSA-N -1 0 568.432 6.962 1 0 KKAFRM COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1-c1cnc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709061 562870319 /nfs/dbraw/zinc/87/03/19/562870319.db2.gz XDWVBQVFWMPRGF-FEVNIDIWSA-N -1 0 700.636 8.326 1 0 KKAFRM COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1-c1ccc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709065 562870375 /nfs/dbraw/zinc/87/03/75/562870375.db2.gz PXCQFFXYXFJYMU-ALKXEMMNSA-N -1 0 699.648 8.931 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1ccc2c(c1)c([C@@](O)(C(=O)[O-])C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095552 562871472 /nfs/dbraw/zinc/87/14/72/562871472.db2.gz SNCCLXGFWUSVQM-MUUNZHRXSA-N -1 0 641.184 7.495 1 0 KKAFRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C ZINC000195452626 562871884 /nfs/dbraw/zinc/87/18/84/562871884.db2.gz NBEXCWSOFZSABN-QXRSLXQMSA-N -1 0 631.690 5.208 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccc(F)cc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12 ZINC000198507768 562872761 /nfs/dbraw/zinc/87/27/61/562872761.db2.gz KDMAJXPZGMAVIF-UHFFFAOYSA-N -1 0 574.048 7.536 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1-c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000198554860 562872778 /nfs/dbraw/zinc/87/27/78/562872778.db2.gz ADUYAJIFZKXWCR-HKBQPEDESA-N -1 0 516.641 7.553 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCC(=O)c3ccccc3)cc12 ZINC000198565073 562872805 /nfs/dbraw/zinc/87/28/05/562872805.db2.gz XSZVVKIGKRRVPW-UHFFFAOYSA-N -1 0 516.597 6.284 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccccc3Br)cc12 ZINC000198621196 562872817 /nfs/dbraw/zinc/87/28/17/562872817.db2.gz IZOYQELFKKTDJM-UHFFFAOYSA-N -1 0 567.483 7.364 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12 ZINC000198923568 562872864 /nfs/dbraw/zinc/87/28/64/562872864.db2.gz ZVFXZTVFMARNCX-DEOSSOPVSA-N -1 0 544.695 8.286 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)cc12 ZINC000199336011 562872940 /nfs/dbraw/zinc/87/29/40/562872940.db2.gz CZVKLWAQRUDGMY-NRFANRHFSA-N -1 0 570.611 8.181 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc12 ZINC000199633593 562872977 /nfs/dbraw/zinc/87/29/77/562872977.db2.gz AEWGUDVDOUFPTB-QHCPKHFHSA-N -1 0 516.641 7.471 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202311728 562873646 /nfs/dbraw/zinc/87/36/46/562873646.db2.gz JDHGPHTWAFKTRA-AREMUKBSSA-N -1 0 525.992 5.659 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1 ZINC000202314543 562873654 /nfs/dbraw/zinc/87/36/54/562873654.db2.gz FGALGFUODDWEFL-HHHXNRCGSA-N -1 0 543.978 6.897 1 0 KKAFRM Cc1c(-c2ccc(Cl)cc2)ccc2nc(C(=O)N[C@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)[O-])cn21 ZINC000202314246 562873672 /nfs/dbraw/zinc/87/36/72/562873672.db2.gz TWJXKJMNJVEDAJ-HHHXNRCGSA-N -1 0 540.019 5.968 1 0 KKAFRM Nc1cccc(COc2ccc(CC(=O)N[C@@]3(C(=O)[O-])Cc4ccc(-c5ccc(Cl)cc5)cc4C3)cc2)c1 ZINC000202320248 562873683 /nfs/dbraw/zinc/87/36/83/562873683.db2.gz DETFYOMDQNLVQC-HKBQPEDESA-N -1 0 527.020 5.449 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1 ZINC000202319127 562873712 /nfs/dbraw/zinc/87/37/12/562873712.db2.gz CVSWEPVMLGFMRM-MHZLTWQESA-N -1 0 525.992 5.888 1 0 KKAFRM CC(C)Oc1ccc(-c2ccc3nc(C(=O)N[C@H](Cc4ccc(OCc5ccccc5)cc4)C(=O)[O-])cn3c2)cc1 ZINC000202321824 562873749 /nfs/dbraw/zinc/87/37/49/562873749.db2.gz XJEXKJOKRAUHPR-GDLZYMKVSA-N -1 0 549.627 5.793 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2nc(SCc3ccccc3)ccc2n1 ZINC000202324181 562873754 /nfs/dbraw/zinc/87/37/54/562873754.db2.gz OZXCXDNEHYFUFQ-VWLOTQADSA-N -1 0 538.629 5.026 1 0 KKAFRM CCO[C@](C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000203662922 562873987 /nfs/dbraw/zinc/87/39/87/562873987.db2.gz BAYKRNPYZMXCFX-MUUNZHRXSA-N -1 0 572.605 6.451 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(F)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203664307 562874068 /nfs/dbraw/zinc/87/40/68/562874068.db2.gz MZDYCZCRBQEULX-UHFFFAOYSA-N -1 0 518.488 5.795 1 0 KKAFRM Cc1c2ccccc2c(C2CC2)nc1N(Cc1ccc(C(F)(F)C2CC2)c(Cl)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203668168 562874071 /nfs/dbraw/zinc/87/40/71/562874071.db2.gz OWRMBNVULAPTPT-UHFFFAOYSA-N -1 0 597.083 7.670 1 0 KKAFRM CCCc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c2ccccc12 ZINC000203772517 562874142 /nfs/dbraw/zinc/87/41/42/562874142.db2.gz DKXAEAWGUUHXJU-UHFFFAOYSA-N -1 0 558.578 6.488 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H](O)C2)nc1)C1CC1 ZINC000203987558 562874312 /nfs/dbraw/zinc/87/43/12/562874312.db2.gz NMDPMXWYBXKMAS-IBGZPJMESA-N -1 0 535.431 6.217 1 0 KKAFRM C[C@]1(C(=O)N(CCCC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204938966 562874631 /nfs/dbraw/zinc/87/46/31/562874631.db2.gz NAEANWXQKKBKNQ-AREMUKBSSA-N -1 0 532.584 5.347 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000205027229 562874780 /nfs/dbraw/zinc/87/47/80/562874780.db2.gz CDFNYDOYKKSGEQ-UHFFFAOYSA-N -1 0 560.462 7.474 1 0 KKAFRM Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4ncccn4)cc3F)cc12 ZINC000205518798 562875483 /nfs/dbraw/zinc/87/54/83/562875483.db2.gz PMKRZNNFJGGOGE-UHFFFAOYSA-N -1 0 529.912 5.392 1 0 KKAFRM Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3nc(Br)ns3)cc21 ZINC000205545882 562875558 /nfs/dbraw/zinc/87/55/58/562875558.db2.gz HTBDGJFTGYPMKC-UHFFFAOYSA-N -1 0 597.442 5.679 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000205720008 562875809 /nfs/dbraw/zinc/87/58/09/562875809.db2.gz QDLMNWSGHXGXGE-UHFFFAOYSA-N -1 0 503.378 6.721 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000205738610 562875856 /nfs/dbraw/zinc/87/58/56/562875856.db2.gz PVPDFCJOADSPQC-UHFFFAOYSA-N -1 0 518.484 6.313 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(F)c(F)cc3F)cc12 ZINC000205973807 562875997 /nfs/dbraw/zinc/87/59/97/562875997.db2.gz IAYHUUPZWBZCHC-IBGZPJMESA-N -1 0 556.584 7.580 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3COc4ccccc4O3)cc12 ZINC000205964629 562876004 /nfs/dbraw/zinc/87/60/04/562876004.db2.gz GUSPKESWPXTEMH-KATKFWMUSA-N -1 0 560.650 6.630 1 0 KKAFRM CCc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000205978148 562876028 /nfs/dbraw/zinc/87/60/28/562876028.db2.gz ZWFGBYOUCRKLHM-QHCPKHFHSA-N -1 0 530.668 7.725 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3ccnc(C4CC4)c3)cc12 ZINC000205975601 562876038 /nfs/dbraw/zinc/87/60/38/562876038.db2.gz DDXPQDHQGVAGBN-JOCHJYFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2F)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000205985167 562876082 /nfs/dbraw/zinc/87/60/82/562876082.db2.gz ACMRGQBFZUCBKA-UNMCSNQZSA-N -1 0 544.667 7.086 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3-c3n[n-]c(=O)o3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205992081 562876114 /nfs/dbraw/zinc/87/61/14/562876114.db2.gz ONJXXMIOHPFIAB-DEOSSOPVSA-N -1 0 584.720 7.931 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12 ZINC000206005741 562876140 /nfs/dbraw/zinc/87/61/40/562876140.db2.gz IPLSLZRTFNLNCC-GMAHTHKFSA-N -1 0 528.649 6.437 1 0 KKAFRM CCC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C(F)(F)F)ccc1Cl ZINC000206070380 562876174 /nfs/dbraw/zinc/87/61/74/562876174.db2.gz IZNAAPQWDYCIMT-UHFFFAOYSA-N -1 0 653.058 5.519 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2Br)c1 ZINC000215504776 562877349 /nfs/dbraw/zinc/87/73/49/562877349.db2.gz RZAGAWATGWMYAJ-UHFFFAOYSA-N -1 0 514.348 5.940 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2Br)c1 ZINC000215493002 562877369 /nfs/dbraw/zinc/87/73/69/562877369.db2.gz ZWKGJCYIWNRWSD-UHFFFAOYSA-N -1 0 514.348 5.940 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)[N-]c3cnsn3)ccc21 ZINC000215511672 562877381 /nfs/dbraw/zinc/87/73/81/562877381.db2.gz QWMBHNLAZXTANP-UHFFFAOYSA-N -1 0 527.002 6.022 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cncnc2)cc1 ZINC000217370738 562877553 /nfs/dbraw/zinc/87/75/53/562877553.db2.gz ARTCVUDJLYSZHH-IHLOFXLRSA-N -1 0 569.665 7.027 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000218175809 562877853 /nfs/dbraw/zinc/87/78/53/562877853.db2.gz HBNBDZMSJUZQQN-UHFFFAOYSA-N -1 0 541.570 6.699 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4[C@@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4F)c3c2)nc1 ZINC000218151663 562877855 /nfs/dbraw/zinc/87/78/55/562877855.db2.gz WWLRDKURMACETQ-RPWUZVMVSA-N -1 0 538.417 6.093 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c4cc(OCc5ccc(C)cn5)ccc4nc3[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cn1 ZINC000218198450 562877890 /nfs/dbraw/zinc/87/78/90/562877890.db2.gz XSUOFGQRYDUFLV-WUFINQPMSA-N -1 0 563.658 6.191 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(N)cc3)cc12 ZINC000219232560 562878016 /nfs/dbraw/zinc/87/80/16/562878016.db2.gz IKAZEOSOMNPMQA-NRFANRHFSA-N -1 0 517.629 6.745 1 0 KKAFRM Cn1cc(-c2cccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1 ZINC000219248371 562878026 /nfs/dbraw/zinc/87/80/26/562878026.db2.gz LIJGYORXMPZVRK-UHFFFAOYSA-N -1 0 571.681 6.800 1 0 KKAFRM Cn1cc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000219332948 562878035 /nfs/dbraw/zinc/87/80/35/562878035.db2.gz URPRDYRGAKMTND-UHFFFAOYSA-N -1 0 571.681 6.800 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000219364091 562878104 /nfs/dbraw/zinc/87/81/04/562878104.db2.gz PKOYWFOHHRGCON-YADHBBJMSA-N -1 0 576.516 7.394 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5nc6ccccc6s5)cc4nc3[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cn1 ZINC000219364002 562878111 /nfs/dbraw/zinc/87/81/11/562878111.db2.gz CKTRIHBHQJSVJA-RRPNLBNLSA-N -1 0 604.732 7.702 1 0 KKAFRM CCC(CC)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000219398077 562878155 /nfs/dbraw/zinc/87/81/55/562878155.db2.gz BICKZVYJKORXKM-UHFFFAOYSA-N -1 0 578.532 7.469 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)CCCC1 ZINC000219431348 562878206 /nfs/dbraw/zinc/87/82/06/562878206.db2.gz IKXLRBYYIVMOEU-UHFFFAOYSA-N -1 0 570.487 7.162 1 0 KKAFRM CC1(C)CC[C@@](Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)(C(=O)[O-])C1 ZINC000219432374 562878221 /nfs/dbraw/zinc/87/82/21/562878221.db2.gz OMEJGHUEWHSOIY-XIFFEERXSA-N -1 0 598.541 7.798 1 0 KKAFRM COc1ccc2nc(C(F)(F)F)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OCC(C)C)C(=O)N2C1)O3 ZINC000220070482 562878347 /nfs/dbraw/zinc/87/83/47/562878347.db2.gz GBJKXZJNFVRHCK-XPTVTBSVSA-N -1 0 833.927 5.071 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(OC(F)(F)F)c1 ZINC000220524155 562878566 /nfs/dbraw/zinc/87/85/66/562878566.db2.gz WDFWCAZDHPASGZ-UIOOFZCWSA-N -1 0 575.587 7.469 1 0 KKAFRM CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)[O-])cc2)no1 ZINC000220931095 562878702 /nfs/dbraw/zinc/87/87/02/562878702.db2.gz WSCPDRVLOQMVLP-NDEPHWFRSA-N -1 0 617.655 6.923 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2nc3ccccc3s2)c1 ZINC000221053906 562878730 /nfs/dbraw/zinc/87/87/30/562878730.db2.gz OBGUXVKYYWZLHB-UHFFFAOYSA-N -1 0 612.405 5.041 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2nc3ccc(Br)cc3s2)c1 ZINC000221042475 562878731 /nfs/dbraw/zinc/87/87/31/562878731.db2.gz HKNBZZHPBSDXCE-UHFFFAOYSA-N -1 0 691.301 5.803 1 0 KKAFRM Cc1ccc(COc2cc3c(nc(CC4(C(=O)[O-])CCCC4)n3Cc3ccc(C(F)(F)F)cc3)c(F)c2)nc1 ZINC000221604678 562879079 /nfs/dbraw/zinc/87/90/79/562879079.db2.gz CHIYEUJSUAXVRC-UHFFFAOYSA-N -1 0 541.545 6.712 1 0 KKAFRM O=C([N-]S(=O)(=O)CCNC(=O)C1CCCCC1)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc21 ZINC000222480405 562879811 /nfs/dbraw/zinc/87/98/11/562879811.db2.gz YIWAWTPDIFYCTH-UHFFFAOYSA-N -1 0 596.149 5.742 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccc(C(F)(F)F)cc2)cc(C)c1Cl ZINC000222701594 562879927 /nfs/dbraw/zinc/87/99/27/562879927.db2.gz OVKHIDWQHSVTSW-UHFFFAOYSA-N -1 0 670.537 6.612 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(CC(=O)[O-])cc3)c2)CC1 ZINC000224430284 562880420 /nfs/dbraw/zinc/88/04/20/562880420.db2.gz QCUXYYRTAQYVIJ-UHFFFAOYSA-N -1 0 536.600 6.442 1 0 KKAFRM COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(=O)[O-] ZINC000224432021 562880432 /nfs/dbraw/zinc/88/04/32/562880432.db2.gz AQQGFOMOSGPZED-UHFFFAOYSA-N -1 0 552.599 6.522 1 0 KKAFRM CC(C)[C@@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)C1 ZINC000224440055 562880482 /nfs/dbraw/zinc/88/04/82/562880482.db2.gz DJIXMLDGVRLHIK-SSEXGKCCSA-N -1 0 536.600 6.397 1 0 KKAFRM COc1cc(-c2ccc(Cl)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225122122 562880739 /nfs/dbraw/zinc/88/07/39/562880739.db2.gz QDTNMUCMEUTKCY-UHFFFAOYSA-N -1 0 517.010 6.130 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4c(F)cc(Br)cc4F)c3c2)nc1 ZINC000226032564 562880861 /nfs/dbraw/zinc/88/08/61/562880861.db2.gz FZAIKBUSHAFKHN-SFTDATJTSA-N -1 0 570.434 6.766 1 0 KKAFRM Cn1ccc(COc2cc3c(nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)n1 ZINC000226037261 562880864 /nfs/dbraw/zinc/88/08/64/562880864.db2.gz ODOZEKQHLBWMDR-RTWAWAEBSA-N -1 0 546.521 5.793 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 ZINC000226038711 562880920 /nfs/dbraw/zinc/88/09/20/562880920.db2.gz FLVLFKZIKRFOEN-BJKOFHAPSA-N -1 0 525.527 6.090 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(C(N)=O)c2)cc1)C(=O)[O-] ZINC000226101104 562880925 /nfs/dbraw/zinc/88/09/25/562880925.db2.gz MHZBJEFYGXRCES-UHFFFAOYSA-N -1 0 584.676 6.631 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ccc(S(N)(=O)=O)cc2)c1)C(=O)[O-] ZINC000226090260 562880953 /nfs/dbraw/zinc/88/09/53/562880953.db2.gz QMERBKLCPFHWQD-UHFFFAOYSA-N -1 0 620.731 6.180 1 0 KKAFRM Cc1cccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)c1 ZINC000226107051 562880974 /nfs/dbraw/zinc/88/09/74/562880974.db2.gz RSLAGOPURFLGIJ-UHFFFAOYSA-N -1 0 555.678 7.841 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ncccn2)c1 ZINC000226107953 562881000 /nfs/dbraw/zinc/88/10/00/562881000.db2.gz KKNHFBZVLAMUMI-VMPREFPWSA-N -1 0 569.665 7.027 1 0 KKAFRM CC1(C)[C@H](C(=O)[O-])[C@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000226110411 562881002 /nfs/dbraw/zinc/88/10/02/562881002.db2.gz MMLYXRWVZASXHB-DQEYMECFSA-N -1 0 562.489 6.860 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c4ccc(OCc5nc6ccccc6s5)cc4nc3[C@H]3CCCC[C@H]3C(=O)[O-])cc2)cn1 ZINC000226126780 562881021 /nfs/dbraw/zinc/88/10/21/562881021.db2.gz VKYUIQKRODVFRU-IZZNHLLZSA-N -1 0 605.720 7.097 1 0 KKAFRM CC(C)(C)[C@@H](CS(=O)(=O)N1CCc2cc(F)ccc21)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000231364733 562881151 /nfs/dbraw/zinc/88/11/51/562881151.db2.gz DAQIXVBEINQCNJ-HSRPRZCRSA-N -1 0 675.650 7.478 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@H]5[C@H](C(C)C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000253684960 562882873 /nfs/dbraw/zinc/88/28/73/562882873.db2.gz HHNUIOMHIJPCQH-PCCHAIRJSA-N -1 0 500.764 7.740 1 0 KKAFRM CCCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299827185 562884057 /nfs/dbraw/zinc/88/40/57/562884057.db2.gz YIIVNLGOCABZSY-RVBCQAIASA-N -1 0 824.965 5.686 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2ccc(CO)o2)c1 ZINC000299830912 562885410 /nfs/dbraw/zinc/88/54/10/562885410.db2.gz ZIIMUYFKCXJFPR-UHFFFAOYSA-N -1 0 651.413 5.183 1 0 KKAFRM COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)[N-]S(=O)(=O)C5CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000299832685 562885916 /nfs/dbraw/zinc/88/59/16/562885916.db2.gz QQPKDSKNRBCPLH-JFVDUDGYSA-N -1 0 771.362 5.241 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)N[C@@H](CC(=O)[O-])C(N)=O ZINC000299834270 562886438 /nfs/dbraw/zinc/88/64/38/562886438.db2.gz LDHRWNOHOBBZBU-IUKPUOCZSA-N -1 0 756.260 5.094 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000299836653 562887290 /nfs/dbraw/zinc/88/72/90/562887290.db2.gz ODILEFUCNAPKNZ-ZCKFPKQYSA-N -1 0 586.857 9.498 1 0 KKAFRM O=S(=O)([N-]c1cccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)c1)c1cccc2cccnc21 ZINC000299837575 562887527 /nfs/dbraw/zinc/88/75/27/562887527.db2.gz RNPYJFWDESUGBR-UHFFFAOYSA-N -1 0 542.624 6.642 1 0 KKAFRM COc1cc(Oc2ccc([C@@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCCCS(=O)(=O)[N-]C(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299837979 562887740 /nfs/dbraw/zinc/88/77/40/562887740.db2.gz PUGIRQCTBMBEPT-ILFWFZRHSA-N -1 0 814.962 6.828 1 0 KKAFRM O=C(Nc1ccc(-c2csc(C(=O)N[C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC000299846745 562889729 /nfs/dbraw/zinc/88/97/29/562889729.db2.gz OFDDBJSSNVKQCD-UAPYVXQJSA-N -1 0 584.576 6.109 1 0 KKAFRM COc1cc(/C=C/C(=O)OC[C@]23CC[C@@]4(C(=O)[O-])CC[C@H](C)[C@H](C)[C@@H]4C2=CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)ccc1O ZINC000299847461 562889948 /nfs/dbraw/zinc/88/99/48/562889948.db2.gz BRRFDRKIGYRDOD-DTKMUOIJSA-N -1 0 648.881 8.040 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C(=O)[O-])c1 ZINC000299855016 562891590 /nfs/dbraw/zinc/89/15/90/562891590.db2.gz CIUUZBXRQNCUIL-JTHBVZDNSA-N -1 0 552.553 5.460 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299857155 562892090 /nfs/dbraw/zinc/89/20/90/562892090.db2.gz CRAYDBMBLWZWTI-VAWYXSNFSA-N -1 0 643.144 6.129 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccc(F)cc3)c1=O)C2 ZINC000299857317 562892164 /nfs/dbraw/zinc/89/21/64/562892164.db2.gz MWDJCTOIHXQKCS-QGZVFWFLSA-N -1 0 520.507 5.263 1 0 KKAFRM COc1ccc(C2=NN(c3ccc(C(=O)[O-])cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299857294 562892209 /nfs/dbraw/zinc/89/22/09/562892209.db2.gz FFGCRJHDBSHTHB-DEOSSOPVSA-N -1 0 544.604 5.959 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299858311 562892427 /nfs/dbraw/zinc/89/24/27/562892427.db2.gz GHNMAZMUPWVZNB-PXLXIMEGSA-N -1 0 540.603 8.736 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=O)N1CCC(=O)[O-] ZINC000299860018 562892875 /nfs/dbraw/zinc/89/28/75/562892875.db2.gz GHBPFHZBSFDENE-DEOSSOPVSA-N -1 0 528.483 5.524 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N2CCC(C(=O)[O-])CC2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299861217 562893219 /nfs/dbraw/zinc/89/32/19/562893219.db2.gz HWQABLRWBNVPEA-FHSDPBSVSA-N -1 0 691.718 6.762 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(Cl)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299862477 562893626 /nfs/dbraw/zinc/89/36/26/562893626.db2.gz JRTPWCCPXVEQGZ-CCEZHUSRSA-N -1 0 631.133 5.985 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299863121 562893786 /nfs/dbraw/zinc/89/37/86/562893786.db2.gz KRUZYIBJBSLFKP-LFIBNONCSA-N -1 0 642.156 6.734 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299867270 562894848 /nfs/dbraw/zinc/89/48/48/562894848.db2.gz QBHJBVYZRJYMSJ-OBGWFSINSA-N -1 0 595.700 5.937 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccccc5O)n(Cc5ccccc5)c4=S)CC3)c(F)cc2c1=O ZINC000299868296 562895071 /nfs/dbraw/zinc/89/50/71/562895071.db2.gz ZRHSTKDIBKKXHW-UHFFFAOYSA-N -1 0 626.714 5.102 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(Cn5ccc6c7cc(Cl)ccc7nc-6c5)cc4)CC3)c(F)cc2c1=O ZINC000377819929 562896148 /nfs/dbraw/zinc/89/61/48/562896148.db2.gz JPSJWTMTKZTAGI-UHFFFAOYSA-N -1 0 636.127 6.652 1 0 KKAFRM COc1ncccc1-c1nn([C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473083193 562896779 /nfs/dbraw/zinc/89/67/79/562896779.db2.gz AYRKJCVIDKUYMS-IBGZPJMESA-N -1 0 604.585 6.486 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(C(F)(F)F)cc4)c3)cc12 ZINC000473083629 562896849 /nfs/dbraw/zinc/89/68/49/562896849.db2.gz OUYNJIYHLLEXEM-UHFFFAOYSA-N -1 0 589.610 7.762 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473086892 562897117 /nfs/dbraw/zinc/89/71/17/562897117.db2.gz IKLSAARRVPLBPO-SFHVURJKSA-N -1 0 626.006 7.875 1 0 KKAFRM COc1ccc(C(F)(F)F)cc1-c1nn([C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473091413 562897649 /nfs/dbraw/zinc/89/76/49/562897649.db2.gz XIZYTDLDJKWLOW-OAQYLSRUSA-N -1 0 601.625 7.520 1 0 KKAFRM Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)[O-])nc2)cc1 ZINC000473101769 562898088 /nfs/dbraw/zinc/89/80/88/562898088.db2.gz KPVSJEREKOMPTE-UHFFFAOYSA-N -1 0 602.440 7.866 1 0 KKAFRM Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2cc(C(C)C)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)[O-])cc2)cc1Cl ZINC000473105903 562898202 /nfs/dbraw/zinc/89/82/02/562898202.db2.gz TUTRKCPVPQPUAO-UHFFFAOYSA-N -1 0 677.085 9.960 1 0 KKAFRM COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)[N-]c1cccc(NCCNC(=O)c2ccccc2Cl)c1 ZINC000473135424 562900717 /nfs/dbraw/zinc/90/07/17/562900717.db2.gz ICZLKTQSCUPWPB-UHFFFAOYSA-N -1 0 607.132 5.360 1 0 KKAFRM O=C([O-])[C@H](CCCn1cc(-c2ccc(C(F)(F)F)cc2)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000473169825 562903113 /nfs/dbraw/zinc/90/31/13/562903113.db2.gz OEFVQIUYYWZFFZ-VWLOTQADSA-N -1 0 550.537 5.736 1 0 KKAFRM COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3C(=O)CC[C@@H]1OC(=O)CCC(=O)[O-] ZINC000473247699 562904996 /nfs/dbraw/zinc/90/49/96/562904996.db2.gz FYORDFSOJIRNNO-QTZFLCTLSA-N -1 0 528.686 5.356 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]12 ZINC000474603543 562905244 /nfs/dbraw/zinc/90/52/44/562905244.db2.gz COZCEZYCWZIOJY-DIZQDKBSSA-N -1 0 534.690 5.161 1 0 KKAFRM Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653661719 562905868 /nfs/dbraw/zinc/90/58/68/562905868.db2.gz AYFZHEZEOZYSCU-MUUNZHRXSA-N -1 0 620.678 5.617 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4nc5ccccc5n4Cc4ccccc4Cl)CC3)c(F)cc2c1=O ZINC000653694238 562906958 /nfs/dbraw/zinc/90/69/58/562906958.db2.gz VKRHETPQAJVVMK-UHFFFAOYSA-N -1 0 586.067 5.547 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4nc5ccccc5n4Cc4ccc(F)cc4)CC3)c(F)cc2c1=O ZINC000653700730 562907368 /nfs/dbraw/zinc/90/73/68/562907368.db2.gz QNZWTPLJOLIPOE-UHFFFAOYSA-N -1 0 569.612 5.033 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653706049 562907802 /nfs/dbraw/zinc/90/78/02/562907802.db2.gz WXSGYQCPUMNSNE-VIZCGCQYSA-N -1 0 564.587 5.418 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2c(ccc1Cl)c(CCCOc1cc(C)c(Cl)c(C)c1)c1n2CCCN(c2cccc(C(=O)[O-])c2)C1=O ZINC000653709083 562908040 /nfs/dbraw/zinc/90/80/40/562908040.db2.gz YYPNZNHOMXJSFW-UHFFFAOYSA-N -1 0 659.614 8.343 1 0 KKAFRM Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NCc3cc(C(=O)[O-])ccn3)[nH]c21 ZINC000653710294 562908150 /nfs/dbraw/zinc/90/81/50/562908150.db2.gz PPKTYCPNQLWJFI-UHFFFAOYSA-N -1 0 600.119 6.490 1 0 KKAFRM CCCOc1cc(OCCCCCCNC(=O)OC(C)(C)C)cc(Oc2cc3c(cc2[N-]S(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1 ZINC000653721414 562908746 /nfs/dbraw/zinc/90/87/46/562908746.db2.gz POGCVDBDSGYDLY-UHFFFAOYSA-N -1 0 686.832 5.456 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721941 562908782 /nfs/dbraw/zinc/90/87/82/562908782.db2.gz PCAPKCSFYXIDLR-KNQAVFIVSA-N -1 0 500.732 5.481 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3cccc(CNC(=O)CC(C)C)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653724589 562908949 /nfs/dbraw/zinc/90/89/49/562908949.db2.gz DDQBTVMWOYEMLA-UHFFFAOYSA-N -1 0 752.765 7.901 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3cccc(CNC(=O)C(C)C)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653737715 562909855 /nfs/dbraw/zinc/90/98/55/562909855.db2.gz GZKGTLYHWUBJEK-UHFFFAOYSA-N -1 0 738.738 7.511 1 0 KKAFRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c2ccccc2c1O ZINC000653738896 562909907 /nfs/dbraw/zinc/90/99/07/562909907.db2.gz MHLNOPQXHVWPEC-UHFFFAOYSA-N -1 0 504.347 6.144 1 0 KKAFRM Cc1cc(Oc2ccc(N(CC(C)C)S(=O)(=O)c3cc(C(=O)[O-])c(O)c4ccccc43)cc2)cc(C)c1Cl ZINC000653739765 562910128 /nfs/dbraw/zinc/91/01/28/562910128.db2.gz MVJAELKNEUGDEQ-UHFFFAOYSA-N -1 0 554.064 7.157 1 0 KKAFRM Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653756216 562911003 /nfs/dbraw/zinc/91/10/03/562911003.db2.gz NEXLZTATSAIBTR-UHFFFAOYSA-N -1 0 580.666 5.189 1 0 KKAFRM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccsc3)C(=O)c3cc(Cl)c([O-])cc3O)cc2)cc1 ZINC000653768401 562911743 /nfs/dbraw/zinc/91/17/43/562911743.db2.gz DJJXLVHDVQWCDQ-UHFFFAOYSA-N -1 0 537.037 5.941 1 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561684797 /nfs/dbraw/zinc/68/47/97/561684797.db2.gz IVTABRHLUIMRSQ-ITDMNLRKSA-N -1 0 514.597 5.427 1 0 KKAFRM CCOc1ccccc1N1CCN(CCCOc2cc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)ccc2OCc2ccc(C)cc2)CC1 ZINC000003929317 561687152 /nfs/dbraw/zinc/68/71/52/561687152.db2.gz FKVIOFOIOXNMNC-UHFFFAOYSA-N -1 0 689.853 7.614 1 0 KKAFRM C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000003939278 561688983 /nfs/dbraw/zinc/68/89/83/561688983.db2.gz OQMSTTQHFRKDFE-LNMSCABWSA-N -1 0 582.597 5.949 1 0 KKAFRM CSc1cnc(OCCOc2ncnc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc3ccccc3c2)nc1 ZINC000003939364 561689059 /nfs/dbraw/zinc/68/90/59/561689059.db2.gz TVXAWYDKBYREKO-UHFFFAOYSA-N -1 0 601.754 6.365 1 0 KKAFRM O=C([O-])c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c5ccccc5oc4Cc4ccccc4)cc3)cc2)ccc1O ZINC000002008084 561680529 /nfs/dbraw/zinc/68/05/29/561680529.db2.gz AWKBGZZJBRFEPL-UHFFFAOYSA-N -1 0 576.626 7.529 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc54)cc3)cc2)cc1 ZINC000002008087 561680541 /nfs/dbraw/zinc/68/05/41/561680541.db2.gz BKDAKVUORDCYCP-UHFFFAOYSA-N -1 0 560.627 7.824 1 0 KKAFRM COc1cc(OC)cc(C(=O)N(CCCc2ccccc2)Cc2ccc(Oc3ccccc3C(=O)[O-])cc2)c1 ZINC000003948779 561690246 /nfs/dbraw/zinc/69/02/46/561690246.db2.gz QGFGIQUXZJXHPN-UHFFFAOYSA-N -1 0 525.601 6.470 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2oc(-c3c(Cl)cccc3Cl)nc2c1)NC(=O)c1c(Cl)cncc1Cl ZINC000003950323 561690328 /nfs/dbraw/zinc/69/03/28/561690328.db2.gz OCIRIHRFAHXBIT-INIZCTEOSA-N -1 0 525.175 5.929 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOC(=O)Nc1ccccn1 ZINC000003980528 561692399 /nfs/dbraw/zinc/69/23/99/561692399.db2.gz RZTQQRCQEYQARM-UHFFFAOYSA-N -1 0 671.736 5.855 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5c(C/C=C(\C)CCC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000003982731 561692597 /nfs/dbraw/zinc/69/25/97/561692597.db2.gz MLWNTYYGBNTWKM-FWNOOZGCSA-N -1 0 616.663 6.400 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000003982169 561692619 /nfs/dbraw/zinc/69/26/19/561692619.db2.gz LVLWWPLSSKDAMU-LHKSUUPMSA-N -1 0 602.706 9.435 1 0 KKAFRM Cc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1Br ZINC000003994950 561693738 /nfs/dbraw/zinc/69/37/38/561693738.db2.gz QQBPXAXSFYBAFJ-SFTDATJTSA-N -1 0 584.442 5.660 1 0 KKAFRM COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1Br ZINC000003994951 561693740 /nfs/dbraw/zinc/69/37/40/561693740.db2.gz XFVTZTQCGZVSDX-PMACEKPBSA-N -1 0 600.441 5.360 1 0 KKAFRM COc1ccc(Cc2c(-c3ccc(C)cc3)n[nH]c(=O)c2-c2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000005762882 561698188 /nfs/dbraw/zinc/69/81/88/561698188.db2.gz DGPNAGOQMBQMMR-SSEXGKCCSA-N -1 0 540.623 6.292 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Oc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358064 561710074 /nfs/dbraw/zinc/71/00/74/561710074.db2.gz NJSAQDDOJLEAJS-LJAQVGFWSA-N -1 0 536.584 5.649 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Nc2sccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358114 561710282 /nfs/dbraw/zinc/71/02/82/561710282.db2.gz HISHBJDIQCILRV-VWLOTQADSA-N -1 0 541.629 5.743 1 0 KKAFRM CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358486 561710385 /nfs/dbraw/zinc/71/03/85/561710385.db2.gz XFDVNAHBJNVLAA-PMERELPUSA-N -1 0 545.701 7.961 1 0 KKAFRM O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2cc3ccccc3cc2N(Cc2ccc(Cl)cc2)C1=O ZINC000012358481 561710389 /nfs/dbraw/zinc/71/03/89/561710389.db2.gz LHZISVWJTIWLDI-SANMLTNESA-N -1 0 501.966 5.884 1 0 KKAFRM O=C([O-])Cc1ccccc1OCC[C@H]1Oc2cc3ccccc3cc2N(Cc2ccc(Cl)cc2)C1=O ZINC000012358482 561710437 /nfs/dbraw/zinc/71/04/37/561710437.db2.gz LHZISVWJTIWLDI-AREMUKBSSA-N -1 0 501.966 5.884 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125817 561711451 /nfs/dbraw/zinc/71/14/51/561711451.db2.gz DTQRNJPXJUUUTE-HSZRJFAPSA-N -1 0 505.398 5.722 3 0 KKAFRM COc1ccc(CCOC2=C(C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)Oc3ccc(OC(C)C)cc32)cc1 ZINC000013473481 561714376 /nfs/dbraw/zinc/71/43/76/561714376.db2.gz NNLLZPXZTADUAZ-HHHXNRCGSA-N -1 0 504.535 5.400 1 0 KKAFRM CCCc1nc(Cl)c(C(C)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000013488357 561715550 /nfs/dbraw/zinc/71/55/50/561715550.db2.gz HDRDIUYQWRKIFA-UHFFFAOYSA-N -1 0 527.046 5.813 1 0 KKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)[O-])c1ccc(CCc2ccccn2)cc1 ZINC000013539332 561718138 /nfs/dbraw/zinc/71/81/38/561718138.db2.gz FPGBQKOCQJXRCD-RUZDIDTESA-N -1 0 526.555 7.137 1 0 KKAFRM CCc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761645 561727913 /nfs/dbraw/zinc/72/79/13/561727913.db2.gz NOYADQYONLFGMN-AREMUKBSSA-N -1 0 507.652 5.910 1 0 KKAFRM CCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761693 561727969 /nfs/dbraw/zinc/72/79/69/561727969.db2.gz QMJIUGVUFJPDBZ-QFIPXVFZSA-N -1 0 516.059 6.391 1 0 KKAFRM C/C(=C\C[C@@H]1SC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1 ZINC000013558117 561719064 /nfs/dbraw/zinc/71/90/64/561719064.db2.gz BRXACRIEBINFKZ-LDEBPVJWSA-N -1 0 518.513 6.273 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@](CC(C)C)(C(=O)[O-])CC2 ZINC000013580336 561719947 /nfs/dbraw/zinc/71/99/47/561719947.db2.gz MVEJBLDUMKNERO-JGCGQSQUSA-N -1 0 518.650 7.474 1 0 KKAFRM Cc1c(CCOc2ccc(CC(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000013678401 561724321 /nfs/dbraw/zinc/72/43/21/561724321.db2.gz IMRDRNACOJVGDE-UHFFFAOYSA-N -1 0 510.033 7.489 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1cccc2c1ccn2[C@@H](CC)C(=O)[O-] ZINC000013677988 561724324 /nfs/dbraw/zinc/72/43/24/561724324.db2.gz DBNPMVWLTQZOKJ-IBGZPJMESA-N -1 0 504.505 6.637 1 0 KKAFRM CCCCC(CCCC)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742338 561726161 /nfs/dbraw/zinc/72/61/61/561726161.db2.gz KAKWGRPFGRJRLQ-XTQSDGFTSA-N -1 0 504.671 7.848 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)ccc2c1O[C@H](C(=O)[O-])CC2 ZINC000013744124 561726478 /nfs/dbraw/zinc/72/64/78/561726478.db2.gz HDEHVSALVSTKQV-MHZLTWQESA-N -1 0 508.586 6.339 1 0 KKAFRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744232 561726648 /nfs/dbraw/zinc/72/66/48/561726648.db2.gz MSYTWGRTZFXVLE-UZUQRXQVSA-N -1 0 510.631 5.398 1 0 KKAFRM O=C([O-])[C@H](CCSCc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000013803854 561731144 /nfs/dbraw/zinc/73/11/44/561731144.db2.gz JUPHQCOZPHPYPF-QFIPXVFZSA-N -1 0 520.470 5.171 1 0 KKAFRM Cc1onc(-c2c(Cl)cccc2Cl)c1COc1cc(C)c(/C=C/c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000013809556 561731781 /nfs/dbraw/zinc/73/17/81/561731781.db2.gz ODSSNBPRHXSYQI-ZHACJKMWSA-N -1 0 508.401 8.021 1 0 KKAFRM CCCSc1nnc(CCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825603 561732829 /nfs/dbraw/zinc/73/28/29/561732829.db2.gz RHIHAWHWTPVHHB-UHFFFAOYSA-N -1 0 514.651 5.954 1 0 KKAFRM CCCCc1nc2ccc(OCC)c(C(=O)[O-])c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832529 561733555 /nfs/dbraw/zinc/73/35/55/561733555.db2.gz KFZLRWSDSFLUMN-UHFFFAOYSA-N -1 0 510.554 5.709 1 0 KKAFRM CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)[O-] ZINC000013832365 561733578 /nfs/dbraw/zinc/73/35/78/561733578.db2.gz NECIUZYXFSKCQQ-UHFFFAOYSA-N -1 0 509.614 5.481 1 0 KKAFRM CCCCC1=NC2(CCN(C(=O)c3ccccc3)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833578 561733881 /nfs/dbraw/zinc/73/38/81/561733881.db2.gz CUECKDQXOVYNLU-UHFFFAOYSA-N -1 0 523.633 5.658 1 0 KKAFRM CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833911 561733959 /nfs/dbraw/zinc/73/39/59/561733959.db2.gz HULDEVHMBDGXDX-UHFFFAOYSA-N -1 0 513.001 6.004 1 0 KKAFRM CCOC(=O)[C@@H](Cc1cccc(OCC(=O)[O-])c1OC)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834135 561734094 /nfs/dbraw/zinc/73/40/94/561734094.db2.gz YTBPUQUNWZKUGF-QFIPXVFZSA-N -1 0 501.535 5.370 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OCc3ccccc3)ccc2n1[C@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000013862797 561734818 /nfs/dbraw/zinc/73/48/18/561734818.db2.gz ABVSLYBOJFBWEA-WJOKGBTCSA-N -1 0 524.060 8.031 1 0 KKAFRM CC(C)c1nc2c(c(C3CC3)nn2-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013888052 561735505 /nfs/dbraw/zinc/73/55/05/561735505.db2.gz KIISGPGZEAZIKH-NVECHQRWSA-N -1 0 529.612 5.827 1 0 KKAFRM COc1cccc(COc2cc(C(=O)[O-])cc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1 ZINC000013912958 561735712 /nfs/dbraw/zinc/73/57/12/561735712.db2.gz UQHGEVKJBWBSGG-QHCPKHFHSA-N -1 0 531.605 5.823 1 0 KKAFRM COC(=O)c1cc(C[C@@H]2SC(=O)[N-]C2=O)ccc1OCCn1c(CCCCC2CCCCC2)nc2ccccc21 ZINC000014191874 561737608 /nfs/dbraw/zinc/73/76/08/561737608.db2.gz UWFGMVFEGMUFHY-MHZLTWQESA-N -1 0 563.720 6.089 1 0 KKAFRM O=C([O-])c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2)cc1 ZINC000014209718 561737712 /nfs/dbraw/zinc/73/77/12/561737712.db2.gz XSUHSKLZDSLGMA-UHFFFAOYSA-N -1 0 558.659 7.523 1 0 KKAFRM CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3cc(/C=C(\C)C(=O)[O-])nn3C3CCCCC3)cc2)c1 ZINC000014210211 561737761 /nfs/dbraw/zinc/73/77/61/561737761.db2.gz DDRLPEJRERORDS-RELWKKBWSA-N -1 0 584.116 7.802 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3cccc(N)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000014277268 561738816 /nfs/dbraw/zinc/73/88/16/561738816.db2.gz IGDCPFCWGRZBEA-IGCBEHFBSA-N -1 0 536.694 6.040 1 0 in-vivo KKAFRM O=C1N(Cc2ccc(CO)cc2)[C@@H](Cc2ccccc2)[P@](=O)([O-])[C@@H](Cc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000014294184 561739374 /nfs/dbraw/zinc/73/93/74/561739374.db2.gz QBVMMOUPVGHZQI-MEKGRNQZSA-N -1 0 570.626 5.517 1 0 KKAFRM C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)[O-])C(=O)C(C)(C)[C@@H]1CC3 ZINC000014299784 561739505 /nfs/dbraw/zinc/73/95/05/561739505.db2.gz FNHDSKHVYPYDAZ-KASBYWRNSA-N -1 0 618.852 5.990 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4cc(C(F)(F)F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952836 561746494 /nfs/dbraw/zinc/74/64/94/561746494.db2.gz IWFKKRTWIHPEOP-UNMCSNQZSA-N -1 0 571.606 5.478 1 0 KKAFRM CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCC(=O)[O-])c1 ZINC000014962136 561748721 /nfs/dbraw/zinc/74/87/21/561748721.db2.gz VGCDJFXZQIRXCZ-FRDKBHKLSA-N -1 0 631.761 5.107 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3ccccc3Br)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963488 561749042 /nfs/dbraw/zinc/74/90/42/561749042.db2.gz LNDFVVBHHOCIJG-QFIPXVFZSA-N -1 0 544.232 6.397 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(F)cccc1F ZINC000014963564 561749172 /nfs/dbraw/zinc/74/91/72/561749172.db2.gz BPKJUCLHGKCRLM-OAQYLSRUSA-N -1 0 501.316 5.913 1 0 KKAFRM CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)O[C@H](CCC2CCCCC2)c2cncs2)CC1)C(=O)[O-] ZINC000014964000 561749322 /nfs/dbraw/zinc/74/93/22/561749322.db2.gz BJWFIOSIGHDXLF-RRPNLBNLSA-N -1 0 599.819 6.472 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(=O)[O-])c2)cc1)Cc1ccc(F)cc1F ZINC000014970221 561750956 /nfs/dbraw/zinc/75/09/56/561750956.db2.gz USLSTEHVCOVPEK-UHFFFAOYSA-N -1 0 617.070 6.761 1 0 KKAFRM O=C([O-])COc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972560 561751590 /nfs/dbraw/zinc/75/15/90/561751590.db2.gz NXWUKMWXYWOKJK-UHFFFAOYSA-N -1 0 556.540 7.227 1 0 KKAFRM O=C([O-])[C@H](O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972584 561751602 /nfs/dbraw/zinc/75/16/02/561751602.db2.gz JLWYCHMJOLWTSZ-SSEXGKCCSA-N -1 0 556.540 6.882 1 0 KKAFRM O=C([O-])[C@@H](O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972588 561751625 /nfs/dbraw/zinc/75/16/25/561751625.db2.gz JLWYCHMJOLWTSZ-PMERELPUSA-N -1 0 556.540 6.882 1 0 KKAFRM O=C([O-])[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cc1 ZINC000014974408 561752154 /nfs/dbraw/zinc/75/21/54/561752154.db2.gz WOHJKWLVYWTJDJ-NHCUHLMSSA-N -1 0 514.475 6.839 1 0 KKAFRM CC(C)(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000014976989 561752278 /nfs/dbraw/zinc/75/22/78/561752278.db2.gz ZQFCMJUELRQQFZ-UHFFFAOYSA-N -1 0 573.860 8.129 1 0 KKAFRM CCCc1cc(-c2nc(C)c(C(=O)N(C)C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977178 561752348 /nfs/dbraw/zinc/75/23/48/561752348.db2.gz BOIFMTPHEQFLJE-NRFANRHFSA-N -1 0 536.694 6.125 1 0 KKAFRM CC(C)(C)c1ccc(Oc2cccc(/C=C/C[NH+](C/C=C/c3cccc(Oc4ccc(C(C)(C)C)cc4)c3)[C@@H](CCC(=O)[O-])C(=O)[O-])c2)cc1 ZINC000026150607 561767533 /nfs/dbraw/zinc/76/75/33/561767533.db2.gz LYCPZXWTRUGGHA-IRINGIMKSA-N -1 0 675.866 10.213 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(Cl)c1 ZINC000026152495 561767766 /nfs/dbraw/zinc/76/77/66/561767766.db2.gz DGCCTQPPHYVGDJ-UHFFFAOYSA-N -1 0 560.116 6.184 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)[n-]c2=O)Cc2ccccc2)c1 ZINC000025967797 561763098 /nfs/dbraw/zinc/76/30/98/561763098.db2.gz JYFFASYSCCELNC-OEAKJJBVSA-N -1 0 563.532 6.017 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(C=O)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025984708 561764132 /nfs/dbraw/zinc/76/41/32/561764132.db2.gz ZVCHAVSCMLWXRD-KWXIBIRDSA-N -1 0 522.686 5.273 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988754 561764495 /nfs/dbraw/zinc/76/44/95/561764495.db2.gz WAQUJVIPPSYKJX-DYIKCSJPSA-N -1 0 544.736 6.614 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025991777 561764810 /nfs/dbraw/zinc/76/48/10/561764810.db2.gz UIOBFFKNGCFAHB-UWPQIUOOSA-N -1 0 629.864 5.537 1 0 KKAFRM COc1ccc(-c2ccc(COCc3ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c4ccccc4C)c3)o2)cc1 ZINC000026012447 561765905 /nfs/dbraw/zinc/76/59/05/561765905.db2.gz FCTWBCRRJCWKTE-LJAQVGFWSA-N -1 0 559.684 6.584 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccn3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026012996 561765986 /nfs/dbraw/zinc/76/59/86/561765986.db2.gz IQBYTJXPJBQWHC-MHZLTWQESA-N -1 0 530.646 5.970 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)c(COCC)c1)C(=O)CCCC2 ZINC000026024728 561766905 /nfs/dbraw/zinc/76/69/05/561766905.db2.gz SITSOAKGHRDHAJ-UHFFFAOYSA-N -1 0 590.746 6.402 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)c(COC)c1)C(=O)CCCC2 ZINC000026027649 561766931 /nfs/dbraw/zinc/76/69/31/561766931.db2.gz NTIXHLLTWTYLBJ-UHFFFAOYSA-N -1 0 576.719 6.012 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)N(C)CC(C)(C)C)c1Cl ZINC000026146672 561767296 /nfs/dbraw/zinc/76/72/96/561767296.db2.gz OOYXLYGKDANTPG-UHFFFAOYSA-N -1 0 553.106 5.486 1 0 KKAFRM O=C([O-])CC[C@@H](C(=O)[O-])[NH+](C/C=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C/C=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000026159508 561768473 /nfs/dbraw/zinc/76/84/73/561768473.db2.gz USZGCUIQLDEQKO-PGWDPKHOSA-N -1 0 699.644 9.655 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccc(C(=O)OCC)cc2)[C@H](C(=O)[O-])C1 ZINC000026166457 561769332 /nfs/dbraw/zinc/76/93/32/561769332.db2.gz MLDRNAXJDDLGQW-NDEPHWFRSA-N -1 0 580.726 5.995 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Br)c2)[C@H](C(=O)[O-])C1 ZINC000026168442 561769592 /nfs/dbraw/zinc/76/95/92/561769592.db2.gz BPEKKOHQNKHLFT-SANMLTNESA-N -1 0 587.559 6.580 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026172808 561770238 /nfs/dbraw/zinc/77/02/38/561770238.db2.gz OIKPHPKYVGTXMU-HKBQPEDESA-N -1 0 548.683 6.821 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(OC)c2)[C@H](C(=O)[O-])C1 ZINC000026172647 561770264 /nfs/dbraw/zinc/77/02/64/561770264.db2.gz AESSEABGCWSSDX-MHZLTWQESA-N -1 0 538.689 5.827 1 0 KKAFRM COc1ccc(-c2cccc(CNc3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026174650 561770623 /nfs/dbraw/zinc/77/06/23/561770623.db2.gz VEMWYUREVHTDDI-AREMUKBSSA-N -1 0 556.644 5.345 1 0 KKAFRM CC(C)Oc1ccc2c(c1)C(c1ccc(OCc3ccccc3)cc1)=C(C(=O)[O-])[C@@H](c1ccc3c(c1)OCO3)O2 ZINC000026174621 561770635 /nfs/dbraw/zinc/77/06/35/561770635.db2.gz QJCMOVRIHPFGSP-JGCGQSQUSA-N -1 0 536.580 6.802 1 0 KKAFRM COc1ccc(-c2cccc(CNc3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000026174645 561770637 /nfs/dbraw/zinc/77/06/37/561770637.db2.gz VEMWYUREVHTDDI-SANMLTNESA-N -1 0 556.644 5.345 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](CC[N-]S(=O)(=O)C(F)(F)F)c2ccccc2)cc1 ZINC000026277173 561778462 /nfs/dbraw/zinc/77/84/62/561778462.db2.gz LIRICMTYICVTAJ-HSZRJFAPSA-N -1 0 530.616 5.620 1 0 KKAFRM CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCCNC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC000026287432 561780091 /nfs/dbraw/zinc/78/00/91/561780091.db2.gz XLLBHYOQOOFVLH-GDLZYMKVSA-N -1 0 587.676 6.219 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCNC(=O)Nc1ccccn1 ZINC000026289649 561780321 /nfs/dbraw/zinc/78/03/21/561780321.db2.gz AHRRXSCSEHTVQL-UHFFFAOYSA-N -1 0 606.705 5.280 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026395508 561786812 /nfs/dbraw/zinc/78/68/12/561786812.db2.gz WQBGDXSBXSZKTO-XZWHSSHBSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026395512 561786821 /nfs/dbraw/zinc/78/68/21/561786821.db2.gz WQBGDXSBXSZKTO-LOYHVIPDSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(OC)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026397293 561787399 /nfs/dbraw/zinc/78/73/99/561787399.db2.gz JUCUDUBNTIXZOX-MFMCTBQISA-N -1 0 578.690 5.582 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(F)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026401027 561788368 /nfs/dbraw/zinc/78/83/68/561788368.db2.gz ZEVIMTDFAJSFBC-XRKRLSELSA-N -1 0 566.654 5.713 1 0 KKAFRM Cc1oc(-c2ccncc2)nc1CCOc1ccc(/C=C(\CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000026476451 561791062 /nfs/dbraw/zinc/79/10/62/561791062.db2.gz WLEKKEWVEQRLOA-IKZUCROWSA-N -1 0 515.610 5.173 1 0 KKAFRM C[C@H](Oc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccc2ccccc2n1 ZINC000026481730 561791839 /nfs/dbraw/zinc/79/18/39/561791839.db2.gz QNXSCUVJFCVBHE-QFIPXVFZSA-N -1 0 601.212 9.575 1 0 KKAFRM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2OC(F)(F)F)cc1 ZINC000026485196 561792394 /nfs/dbraw/zinc/79/23/94/561792394.db2.gz XWFPQFIFSTVMSM-PKTZIBPZSA-N -1 0 631.456 6.044 1 0 KKAFRM COc1cccc(F)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026490356 561793168 /nfs/dbraw/zinc/79/31/68/561793168.db2.gz WWINAJSAKDTRKJ-PKTZIBPZSA-N -1 0 595.476 5.293 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCNC(=O)c2cccc(C(F)(F)F)c2)CCCC1 ZINC000026503144 561795984 /nfs/dbraw/zinc/79/59/84/561795984.db2.gz UAAQPZKRUGTUFH-VWLOTQADSA-N -1 0 664.508 6.757 1 0 KKAFRM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000026507720 561796822 /nfs/dbraw/zinc/79/68/22/561796822.db2.gz OFNKSFVKBAHXFD-LOYHVIPDSA-N -1 0 588.745 7.263 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)[O-])Cc1ccc(N)c(I)c1 ZINC000026569258 561797788 /nfs/dbraw/zinc/79/77/88/561797788.db2.gz YMNQSYWYYQDKJU-FKRPALPOSA-N -1 0 698.602 5.409 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccccc2CO)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026569871 561797913 /nfs/dbraw/zinc/79/79/13/561797913.db2.gz QZECKERBZPCVOV-GVODCENMSA-N -1 0 598.617 8.928 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(COc2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026571322 561798220 /nfs/dbraw/zinc/79/82/20/561798220.db2.gz BSPOMGCNKIJSIE-XMMPIXPASA-N -1 0 630.659 9.072 1 0 KKAFRM O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl)c1ccccc1 ZINC000026574126 561798698 /nfs/dbraw/zinc/79/86/98/561798698.db2.gz GJJUKCMQVCLKFW-MGBGTMOVSA-N -1 0 682.198 8.376 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000026575472 561799162 /nfs/dbraw/zinc/79/91/62/561799162.db2.gz QODFRNOBBGHRAO-UHFFFAOYSA-N -1 0 720.291 10.404 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCc1ccccc1)C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026578813 561803797 /nfs/dbraw/zinc/80/37/97/561803797.db2.gz DVBWYFQJLIUTJA-VIVXSFHRSA-N -1 0 708.796 6.475 1 0 KKAFRM CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026656773 561809530 /nfs/dbraw/zinc/80/95/30/561809530.db2.gz GFSGCZQJHQAQAG-UHFFFAOYSA-N -1 0 554.654 7.018 1 0 KKAFRM CC(C)Cc1ccc(CCC[C@H](CC(=O)[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 ZINC000026651495 561808455 /nfs/dbraw/zinc/80/84/55/561808455.db2.gz NEPPMULRSZAPIH-JSOSNVBQSA-N -1 0 548.768 6.113 1 0 KKAFRM CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026652035 561808584 /nfs/dbraw/zinc/80/85/84/561808584.db2.gz RJLFDNUPQRZLGJ-UHFFFAOYSA-N -1 0 581.891 7.311 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCC(=O)[O-])CCc1ccccc1 ZINC000026666563 561811273 /nfs/dbraw/zinc/81/12/73/561811273.db2.gz MUNNAUUHDXISAJ-GKPFONBGSA-N -1 0 571.718 5.566 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(CCCc2ccccc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667924 561811646 /nfs/dbraw/zinc/81/16/46/561811646.db2.gz KYKOSZKYSJMRQR-RUZDIDTESA-N -1 0 590.789 8.605 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3[S@@]1=O ZINC000026669989 561812148 /nfs/dbraw/zinc/81/21/48/561812148.db2.gz AADUXTNZXBDKCQ-CUNRAOKOSA-N -1 0 613.179 7.690 1 0 KKAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000026719212 561814753 /nfs/dbraw/zinc/81/47/53/561814753.db2.gz FISKGPNVOMOSRW-UHFFFAOYSA-N -1 0 670.735 5.778 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000026725771 561815912 /nfs/dbraw/zinc/81/59/12/561815912.db2.gz KTIVKLXXTDQNMF-IZMXGECRSA-N -1 0 626.581 6.483 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@H](C(=O)[O-])O3)ccc(C(C)=O)c1OC ZINC000026726526 561816051 /nfs/dbraw/zinc/81/60/51/561816051.db2.gz YNTYPRJBSGTJFE-RUZDIDTESA-N -1 0 512.599 5.459 1 0 KKAFRM CCCCC[C@@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000026742589 561818276 /nfs/dbraw/zinc/81/82/76/561818276.db2.gz HWLHIGNKCOTDRM-LWPAWRQISA-N -1 0 538.688 8.097 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1[C@H](CCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000026749144 561819367 /nfs/dbraw/zinc/81/93/67/561819367.db2.gz ZAZHQOBUAOBXJC-MQSCRBSSSA-N -1 0 555.401 5.838 1 0 KKAFRM Cc1cc(Cl)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c(C(c2ccc(F)c(C)c2)c2ccc(F)c(C)c2)c1 ZINC000026753162 561820166 /nfs/dbraw/zinc/82/01/66/561820166.db2.gz KIFDBWNUTUGZID-NHCUHLMSSA-N -1 0 518.984 5.689 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@]1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cccc(C(=O)[O-])c3c2C1 ZINC000026818650 561820620 /nfs/dbraw/zinc/82/06/20/561820620.db2.gz KYJWXQHKGYMIQT-KDXMTYKHSA-N -1 0 649.836 7.575 1 0 KKAFRM CCc1ccc(C(OCCc2ccc(OC)c(OC)c2)(c2ccc(CC)cc2)[C@@H](Oc2nc(C)cc(OC)n2)C(=O)[O-])cc1 ZINC000026818672 561820628 /nfs/dbraw/zinc/82/06/28/561820628.db2.gz UTSWGARHIRATMS-YTTGMZPUSA-N -1 0 600.712 5.971 1 0 KKAFRM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1C(=O)[O-] ZINC000026833230 561823465 /nfs/dbraw/zinc/82/34/65/561823465.db2.gz ZSGYFOODLVWHNS-UHFFFAOYSA-N -1 0 571.678 5.685 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000026850072 561827165 /nfs/dbraw/zinc/82/71/65/561827165.db2.gz MXLNAHFRWPMKMU-WTWMYVDVSA-N -1 0 679.763 5.595 1 0 KKAFRM CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)[O-])c1 ZINC000026954648 561829181 /nfs/dbraw/zinc/82/91/81/561829181.db2.gz NRFRYKMMKRWFSU-IZZNHLLZSA-N -1 0 570.683 5.137 1 0 KKAFRM COc1ccc(CC[C@H](C[P@](=O)([O-])CCCCN2C(=O)c3ccccc3C2=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 ZINC000026968272 561830210 /nfs/dbraw/zinc/83/02/10/561830210.db2.gz HXMCVMJQARWQIU-ZUKKLESISA-N -1 0 661.736 5.760 1 0 KKAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)cc1C ZINC000026972324 561830540 /nfs/dbraw/zinc/83/05/40/561830540.db2.gz UGVMGRHWFHLCHK-SANMLTNESA-N -1 0 564.469 5.725 1 0 KKAFRM COc1ccc(-c2ccc3oc(-c4ccc(OC)c(N5C(=O)c6ccc(C(=O)[O-])cc6C5=O)c4)nc3c2)cc1 ZINC000026976515 561830967 /nfs/dbraw/zinc/83/09/67/561830967.db2.gz BNFHAKWJMMOZDR-UHFFFAOYSA-N -1 0 520.497 5.678 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])C/C=C/CN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 ZINC000026979151 561831136 /nfs/dbraw/zinc/83/11/36/561831136.db2.gz LMJBKCLEHMNEQJ-ZFCSCTFJSA-N -1 0 629.694 5.528 1 0 KKAFRM CC(CCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(OCc2ccc3ccccc3c2)cc1 ZINC000026989199 561832325 /nfs/dbraw/zinc/83/23/25/561832325.db2.gz KFJWXJNPGSYZAD-UHFFFAOYSA-N -1 0 566.697 9.322 1 0 KKAFRM O=C([O-])CSC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026990361 561832381 /nfs/dbraw/zinc/83/23/81/561832381.db2.gz WZIQSGYCVYZXKT-UHFFFAOYSA-N -1 0 572.686 7.848 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])CCCCN1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccc1 ZINC000026991781 561832668 /nfs/dbraw/zinc/83/26/68/561832668.db2.gz BIDUKHOSNDIVKD-MVSFAKPFSA-N -1 0 631.710 5.039 1 0 KKAFRM Cc1ccccc1NC(=O)NCCCC[C@@H](CNC(=O)CCC(=O)[O-])NC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000027075671 561834084 /nfs/dbraw/zinc/83/40/84/561834084.db2.gz DILLUBXISCIMIT-YRZYFPLTSA-N -1 0 742.918 5.786 1 0 KKAFRM O=C([O-])c1c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl ZINC000027191145 561843538 /nfs/dbraw/zinc/84/35/38/561843538.db2.gz ZPAHNDWKHWIOTO-UHFFFAOYSA-N -1 0 545.430 6.268 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(CC2CCCCC2)c2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027198562 561844683 /nfs/dbraw/zinc/84/46/83/561844683.db2.gz QQALNYVYQQBUSO-PMERELPUSA-N -1 0 545.749 6.580 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(C(=O)c2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027200483 561845114 /nfs/dbraw/zinc/84/51/14/561845114.db2.gz XOYOSNAWCJGFIQ-LJAQVGFWSA-N -1 0 553.684 5.840 1 0 KKAFRM O=C([O-])CCS[C@H](SCCC(=O)N1CCOCC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000027212919 561847528 /nfs/dbraw/zinc/84/75/28/561847528.db2.gz QJMNCSYWCVZRGC-GNMASIKHSA-N -1 0 557.137 6.247 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](c2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000027307327 561849864 /nfs/dbraw/zinc/84/98/64/561849864.db2.gz PEQILDCMULERGE-LQECUIRRSA-N -1 0 604.147 6.143 1 0 KKAFRM CC(C)(CNS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccc(C(=O)[O-])cc1 ZINC000027318307 561852029 /nfs/dbraw/zinc/85/20/29/561852029.db2.gz OBMVLVFVZFHMRW-UHFFFAOYSA-N -1 0 540.641 5.921 1 0 KKAFRM O=C([O-])CCCCCC/C=C\CCOCCCCCCCCCOc1ccc(I)cc1 ZINC000027319290 561852301 /nfs/dbraw/zinc/85/23/01/561852301.db2.gz JZDRFBSUHMZCOR-UITAMQMPSA-N -1 0 544.514 7.789 1 0 KKAFRM C[C@@H](C(=O)NCc1ccc(CC(=O)[O-])cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000027324184 561853126 /nfs/dbraw/zinc/85/31/26/561853126.db2.gz RSRBQNJACKXCPP-OAQYLSRUSA-N -1 0 504.586 6.014 1 0 KKAFRM O=C([O-])CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027427389 561858671 /nfs/dbraw/zinc/85/86/71/561858671.db2.gz TUGLFOOUIBUAGY-OFCBOVEQSA-N -1 0 684.837 5.252 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027428173 561858736 /nfs/dbraw/zinc/85/87/36/561858736.db2.gz NLYKYOJFKOSQBY-AYWVHJORSA-N -1 0 546.645 5.283 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cccc(-c3nc4ccccc4[nH]3)c2)c2ccccc21 ZINC000027517320 561861110 /nfs/dbraw/zinc/86/11/10/561861110.db2.gz VDGPLLSJFGSYHL-RUZDIDTESA-N -1 0 530.584 5.113 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000027517717 561861466 /nfs/dbraw/zinc/86/14/66/561861466.db2.gz YJKCUVNGSUFXLA-UHFFFAOYSA-N -1 0 592.685 7.092 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1C(=O)c1ccccc1C(=O)[O-] ZINC000027518121 561861958 /nfs/dbraw/zinc/86/19/58/561861958.db2.gz FTBUTMHYVSIDRY-UHFFFAOYSA-N -1 0 556.630 7.490 1 0 KKAFRM CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1[S@](=O)c1ccccc1C(=O)[O-] ZINC000027518396 561862248 /nfs/dbraw/zinc/86/22/48/561862248.db2.gz VWKBWVLXVQEVBG-VQJSHJPSSA-N -1 0 576.686 7.426 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2ccccc2C(=O)[O-])c3S1 ZINC000027518899 561862785 /nfs/dbraw/zinc/86/27/85/561862785.db2.gz GUALIRHXAJQRKZ-VWLOTQADSA-N -1 0 661.223 9.340 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)OCc3ccccc3)cc2)c2ccccc21 ZINC000027518981 561862797 /nfs/dbraw/zinc/86/27/97/561862797.db2.gz TVOQZEVLAZOKJY-MUUNZHRXSA-N -1 0 563.610 5.319 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)[O-])CC3)C(=O)N(CC(C)(C)COCC(=O)OC(C)(C)C)c3ccc(Cl)cc32)c1OC ZINC000027523033 561864730 /nfs/dbraw/zinc/86/47/30/561864730.db2.gz VZCZALOPZSHPNV-CYTLCNBWSA-N -1 0 717.256 5.666 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COCc2ccccc2C(=O)[O-])c3S1 ZINC000027522966 561864754 /nfs/dbraw/zinc/86/47/54/561864754.db2.gz WHFIKBYBAPCEGY-VWLOTQADSA-N -1 0 661.223 9.436 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1CO)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000027525815 561866037 /nfs/dbraw/zinc/86/60/37/561866037.db2.gz NOBPTWFACLDZGZ-ZWZFQIOISA-N -1 0 532.105 7.679 1 0 KKAFRM CCCCc1nc(C)n(Cc2sccc2C(=O)[O-])c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027551133 561867999 /nfs/dbraw/zinc/86/79/99/561867999.db2.gz YLEBPLPGLHMFBO-UHFFFAOYSA-N -1 0 540.649 5.140 1 0 KKAFRM Cc1cc(C)cc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)NCCC(=O)[O-])Oc2cc(C)cc(C)c2)c1 ZINC000027556225 561869619 /nfs/dbraw/zinc/86/96/19/561869619.db2.gz NCFHYHJBBXCKNL-XIFFEERXSA-N -1 0 614.679 6.987 1 0 KKAFRM CCC(=O)O[C@H](OP(=O)(CN[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])O[C@@H](OC(=O)CC)C(C)C)C(C)C ZINC000027559082 561870083 /nfs/dbraw/zinc/87/00/83/561870083.db2.gz MRBMNWVPUDEXSG-SZSRMMGRSA-N -1 0 662.717 5.500 1 0 KKAFRM COc1ccc(C(NC(=O)c2ccc3cc(-c4ccccc4OCCCC(=O)[O-])oc3c2)c2ccc(OC)cc2)cc1 ZINC000027633971 561874126 /nfs/dbraw/zinc/87/41/26/561874126.db2.gz YWWSOZJTTVIDTJ-UHFFFAOYSA-N -1 0 565.622 6.880 1 0 KKAFRM O=C([O-])CCCOc1ccccc1NC(=O)/C=C(/c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1)C1CC1 ZINC000027559509 561870287 /nfs/dbraw/zinc/87/02/87/561870287.db2.gz OMMUNNNYBDHATA-UQRQXUALSA-N -1 0 606.669 8.233 1 0 KKAFRM [O-]c1cc(Br)c(Br)cc1Oc1cc(Br)c(Br)cc1O ZINC000027617363 561871954 /nfs/dbraw/zinc/87/19/54/561871954.db2.gz GTPCRUWVWYYGGM-UHFFFAOYSA-N -1 0 517.793 5.940 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)[O-])CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000027622336 561872649 /nfs/dbraw/zinc/87/26/49/561872649.db2.gz RMMRFKRTCRMYRY-IHSZOXLFSA-N -1 0 542.713 6.218 1 0 KKAFRM COC(=O)[C@@]1(CC(=O)[O-])CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027623032 561872767 /nfs/dbraw/zinc/87/27/67/561872767.db2.gz ZJISQBMOLIRIMF-NMEDOYAJSA-N -1 0 504.664 5.190 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2cccc(C(F)(F)F)c2)CC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000027636451 561874577 /nfs/dbraw/zinc/87/45/77/561874577.db2.gz MEIBBXISIRMFII-UHFFFAOYSA-N -1 0 508.414 7.052 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)COc1c2ccccc2[nH]c1-c1cc2ccccc2[nH]1 ZINC000027650967 561876497 /nfs/dbraw/zinc/87/64/97/561876497.db2.gz JSHJDUNFYLKFEP-UHFFFAOYSA-N -1 0 503.643 6.797 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000027652906 561876979 /nfs/dbraw/zinc/87/69/79/561876979.db2.gz JVKCFBRVLIFZAS-XQNQTFOSSA-N -1 0 699.535 5.403 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)COc1c2ccccc2n(Cc2ccccc2)c1-c1cc2ccccc2n1Cc1ccccc1 ZINC000027655368 561877437 /nfs/dbraw/zinc/87/74/37/561877437.db2.gz OWDYFFJCKPDBBH-UHFFFAOYSA-N -1 0 683.893 9.840 1 0 KKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)N(c1ccccc1)c1ccccc1)C2 ZINC000027656629 561877668 /nfs/dbraw/zinc/87/76/68/561877668.db2.gz AVTOGTIFKTWLLN-MHZLTWQESA-N -1 0 508.574 6.044 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(C(F)(F)F)c2c1 ZINC000027657956 561878244 /nfs/dbraw/zinc/87/82/44/561878244.db2.gz AIDXCJCBDCITNW-UHFFFAOYSA-N -1 0 544.921 6.238 1 0 KKAFRM CCCCc1nnc(S[C@H](C(=O)OC)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027657989 561878283 /nfs/dbraw/zinc/87/82/83/561878283.db2.gz KKHSURYKUWQMJN-SANMLTNESA-N -1 0 558.660 5.626 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(OC)c2c1 ZINC000027658033 561878402 /nfs/dbraw/zinc/87/84/02/561878402.db2.gz AEOGCERNDXZVQC-UHFFFAOYSA-N -1 0 506.950 5.228 1 0 KKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)Cc1c(Cl)cccc1Cl)C2 ZINC000027703627 561878408 /nfs/dbraw/zinc/87/84/08/561878408.db2.gz HPNFXYVEYRGQBY-JOCHJYFZSA-N -1 0 500.378 5.162 1 0 KKAFRM O=C([O-])CCCOc1ccccc1-c1cc2ccc(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)cc2o1 ZINC000027635885 561874401 /nfs/dbraw/zinc/87/44/01/561874401.db2.gz JUSOMMXOAWTGPZ-UHFFFAOYSA-N -1 0 541.550 7.141 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)[O-])n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1 ZINC000027707605 561879138 /nfs/dbraw/zinc/87/91/38/561879138.db2.gz REKXYZHGUWUJOK-UHFFFAOYSA-N -1 0 569.847 5.910 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O[C@@H](C)OC(=O)c1ccccc1)O[C@@H](C)OC(=O)c1ccccc1)S(=O)(=O)[O-] ZINC000027710762 561879604 /nfs/dbraw/zinc/87/96/04/561879604.db2.gz GDFNAFJNWYCPAC-WAUUCQCVSA-N -1 0 704.819 9.422 1 0 KKAFRM CCC(=O)O[C@H](CC)OP(=O)(O[C@@H](CC)OC(=O)CC)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000027711688 561879779 /nfs/dbraw/zinc/87/97/79/561879779.db2.gz UTPGTJGEZGLTBV-HZFUHODCSA-N -1 0 614.650 6.620 1 0 KKAFRM CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027717962 561880268 /nfs/dbraw/zinc/88/02/68/561880268.db2.gz YDLBERHNGQEWCG-UHFFFAOYSA-N -1 0 530.650 5.920 1 0 KKAFRM COc1cc2c(cc1OCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000027718077 561880404 /nfs/dbraw/zinc/88/04/04/561880404.db2.gz BIHSVIQMDYNYTP-HHHXNRCGSA-N -1 0 507.586 5.444 1 0 KKAFRM COc1cc2c(cc1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000027718082 561880407 /nfs/dbraw/zinc/88/04/07/561880407.db2.gz BIHSVIQMDYNYTP-MHZLTWQESA-N -1 0 507.586 5.444 1 0 KKAFRM COc1cccc(COc2c(I)cc3c(c2I)CN(C(=O)/C=C/c2ccc(C)cc2)[C@H](C(=O)[O-])C3)c1 ZINC000027725136 561880812 /nfs/dbraw/zinc/88/08/12/561880812.db2.gz OHJPGHNVIOAROE-LTDXDOBXSA-N -1 0 709.318 5.843 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@@H](P(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C)S(=O)(=O)[O-] ZINC000027724605 561880822 /nfs/dbraw/zinc/88/08/22/561880822.db2.gz KXDSQNSTEQBQIE-WGDBICIQSA-N -1 0 608.731 7.330 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(OCOC(=O)c1ccccc1)OCOC(=O)c1ccccc1)S(=O)(=O)[O-] ZINC000027725851 561880830 /nfs/dbraw/zinc/88/08/30/561880830.db2.gz GMGOKBLGSRPSIT-RCANFNNUSA-N -1 0 676.765 8.645 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(C(=O)N2CCCC2)c1OC ZINC000027894016 561890036 /nfs/dbraw/zinc/89/00/36/561890036.db2.gz POSHDLOOHKRLEK-MHZLTWQESA-N -1 0 539.669 5.462 1 0 in-vivo KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(-c3ccccc3)nc2OCCOc2ncc(Br)cn2)cc1 ZINC000027983998 561892088 /nfs/dbraw/zinc/89/20/88/561892088.db2.gz LIVFMEBNWMOQRF-UHFFFAOYSA-N -1 0 674.621 7.228 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(S(=O)(=O)c2ccccc2Br)CCCC1 ZINC000027998365 561894173 /nfs/dbraw/zinc/89/41/73/561894173.db2.gz TZPGQSQXRHQZRK-QHCPKHFHSA-N -1 0 556.478 5.015 1 0 KKAFRM Cc1sc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028015481 561897245 /nfs/dbraw/zinc/89/72/45/561897245.db2.gz QWIZIDRQMYLLEJ-XZOQPEGZSA-N -1 0 539.702 5.031 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CC2)nc1OCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000028019052 561897951 /nfs/dbraw/zinc/89/79/51/561897951.db2.gz YLMSOIIFAYJNMX-UHFFFAOYSA-N -1 0 667.810 5.530 1 0 KKAFRM O=C([O-])C1CCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021928 561898712 /nfs/dbraw/zinc/89/87/12/561898712.db2.gz BDMKWKGKWYADLX-YADHBBJMSA-N -1 0 589.680 5.390 1 0 KKAFRM Cn1cc(C[C@@H](NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)C(=O)[O-])c2cc(O)ccc21 ZINC000028091610 561899898 /nfs/dbraw/zinc/89/98/98/561899898.db2.gz IGGHJVGXKNQTTB-RUZDIDTESA-N -1 0 526.593 5.425 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000028103251 561901932 /nfs/dbraw/zinc/90/19/32/561901932.db2.gz VRNRWEFFIHKNHV-YTTGMZPUSA-N -1 0 586.798 7.211 1 0 KKAFRM CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(OCc4ccccc4)cc3n2)c1)C(=O)[O-] ZINC000028105413 561902181 /nfs/dbraw/zinc/90/21/81/561902181.db2.gz DHQVVSSLLKFUNV-UHFFFAOYSA-N -1 0 512.606 6.612 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1 ZINC000028105064 561902202 /nfs/dbraw/zinc/90/22/02/561902202.db2.gz MEZMMRWPFKWMJY-SANMLTNESA-N -1 0 523.593 5.216 1 0 KKAFRM O=C([O-])[C@H](CCCCNC(=O)OCc1ccccc1)SC[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028112811 561903202 /nfs/dbraw/zinc/90/32/02/561903202.db2.gz OEEJAFJTSZSUOI-ZEQRLZLVSA-N -1 0 514.644 5.071 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccccc4Cl)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028136202 561906634 /nfs/dbraw/zinc/90/66/34/561906634.db2.gz VHOPZWJNKYEBDX-UHFFFAOYSA-N -1 0 560.496 9.431 1 0 KKAFRM Cc1nn(-c2ccccc2)c2ncc3c(OCc4ccc(CC(=O)[O-])cc4)c(-c4ccc(Cl)cc4)sc3c12 ZINC000028223780 561907671 /nfs/dbraw/zinc/90/76/71/561907671.db2.gz YKSRPNDUSPIMAF-UHFFFAOYSA-N -1 0 540.044 7.470 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CCCC1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CCCC1 ZINC000028244726 561910705 /nfs/dbraw/zinc/91/07/05/561910705.db2.gz WPGZHDDOBZPXFA-NSOVKSMOSA-N -1 0 681.535 7.258 1 0 KKAFRM O=C([O-])CCc1ccccc1C(=O)N1c2ccccc2C[C@@H]1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 ZINC000028253771 561911302 /nfs/dbraw/zinc/91/13/02/561911302.db2.gz NMYXXRFCOSJMNR-AREMUKBSSA-N -1 0 544.007 5.262 1 0 KKAFRM COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@H](C(=O)[O-])[C@@H]2CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028256330 561911529 /nfs/dbraw/zinc/91/15/29/561911529.db2.gz DYLGUYDUDLRNRZ-NDMXXLENSA-N -1 0 538.637 5.720 1 0 KKAFRM O=C([O-])[C@@H]1CCCN1c1cc(-c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)ccn1 ZINC000028335987 561913384 /nfs/dbraw/zinc/91/33/84/561913384.db2.gz GERAUBTWBQPHRK-IBGZPJMESA-N -1 0 502.514 5.743 1 0 KKAFRM COc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028338693 561913747 /nfs/dbraw/zinc/91/37/47/561913747.db2.gz ZPYVSGYLDUOOIZ-JOCHJYFZSA-N -1 0 600.543 7.095 1 0 KKAFRM COc1ccc(C)cc1NC(=O)N(CCc1ccc(SC(C)(C)C(=O)[O-])cc1)CCc1ccc(-c2ccccc2)cc1 ZINC000028233930 561909489 /nfs/dbraw/zinc/90/94/89/561909489.db2.gz KYTZUDSIEJIRJM-UHFFFAOYSA-N -1 0 582.766 7.945 1 0 KKAFRM COc1cc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc(N(CC(C)C)C(=O)C(C)(C)C)c1OC ZINC000028356193 561916250 /nfs/dbraw/zinc/91/62/50/561916250.db2.gz GPOUYFYDHFZLAM-HSZRJFAPSA-N -1 0 629.581 7.709 1 0 KKAFRM COc1ccc(C(=O)N(CC(C)C)c2cccc([C@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])c2)cc1 ZINC000028357234 561916300 /nfs/dbraw/zinc/91/63/00/561916300.db2.gz SJYZPJGBMJDYNR-NDEPHWFRSA-N -1 0 619.545 7.968 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Br)c(OCC(=O)[O-])c2)cc1)Cc1ccc(F)cc1F ZINC000028468499 561926556 /nfs/dbraw/zinc/92/65/56/561926556.db2.gz CFZKPYJJGYQRFD-UHFFFAOYSA-N -1 0 661.521 6.870 1 0 KKAFRM O=C([O-])C[C@@H](c1ccc(-c2ccccc2)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028467569 561926240 /nfs/dbraw/zinc/92/62/40/561926240.db2.gz XRZOOOHYYLVTTI-HKBQPEDESA-N -1 0 517.629 6.747 1 0 KKAFRM C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(C(=O)[O-])=C[C@]4(C)C3=CC[C@]12C ZINC000028470639 561926996 /nfs/dbraw/zinc/92/69/96/561926996.db2.gz GMIUDUZJEORGGJ-HWQWYKKTSA-N -1 0 500.720 5.940 1 0 KKAFRM COc1ccc(-c2ccccc2O[C@@H]2C[C@@H](C(=O)CC3(C(=O)[O-])CC3)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)C2)cc1 ZINC000028477665 561928524 /nfs/dbraw/zinc/92/85/24/561928524.db2.gz WVXKEAMMIBAEGM-XIECRBSWSA-N -1 0 674.835 5.755 1 0 KKAFRM O=C([O-])Cc1ccc2oc(-c3ccc(NC(=O)CCc4ccc(Br)cc4)cc3Cl)nc2c1 ZINC000028525381 561931210 /nfs/dbraw/zinc/93/12/10/561931210.db2.gz FICOTKYMVMPTDR-UHFFFAOYSA-N -1 0 513.775 6.109 1 0 KKAFRM CCc1ccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c2c1OC ZINC000028526009 561931814 /nfs/dbraw/zinc/93/18/14/561931814.db2.gz LRMGKWDRORXPRE-SANMLTNESA-N -1 0 564.660 5.619 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3nc(Cl)ccc3c(Oc3cccc(-c4cc(C(F)(F)F)c[nH]4)c3)c2C(=O)[O-])cc1 ZINC000028528833 561933454 /nfs/dbraw/zinc/93/34/54/561933454.db2.gz SYLSYPMVJUJYMV-UHFFFAOYSA-N -1 0 553.968 8.481 1 0 KKAFRM C[C@H]1CCC[C@@H]1C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655814 561946687 /nfs/dbraw/zinc/94/66/87/561946687.db2.gz ZRUPEKXQFRVJGS-RDPSFJRHSA-N -1 0 544.652 5.555 1 0 KKAFRM C/C(=C\Cc1cc(O)ccc1O)CCC[C@@H](C)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS(=O)(=O)[O-] ZINC000028703133 561947758 /nfs/dbraw/zinc/94/77/58/561947758.db2.gz VCFONRYZIFVUGC-JWMGXGOZSA-N -1 0 548.786 7.770 1 0 in-vivo KKAFRM COc1cc(CC(=O)[O-])ccc1OCCCOc1ccc(CC(=O)N(C)CCc2ccc(Br)cc2)cc1 ZINC000028712401 561952968 /nfs/dbraw/zinc/95/29/68/561952968.db2.gz LMPIMRCCMVOYJH-UHFFFAOYSA-N -1 0 570.480 5.176 1 0 KKAFRM COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000028755002 561955336 /nfs/dbraw/zinc/95/53/36/561955336.db2.gz KSCPIFPNRGZFRV-UHFFFAOYSA-N -1 0 567.085 8.815 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccn3)cc2)cc1 ZINC000028756351 561956171 /nfs/dbraw/zinc/95/61/71/561956171.db2.gz HGYYXEMFBKZZRX-WJOKGBTCSA-N -1 0 541.672 8.296 1 0 KKAFRM COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@@](=O)([O-])O ZINC000028757162 561956694 /nfs/dbraw/zinc/95/66/94/561956694.db2.gz IXMCQKQMOVPLAE-BADSBEHOSA-N -1 0 505.592 5.243 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc2c(ccc(O[C@@H](Cc3ccccc3)C(=O)[O-])c2Br)c1 ZINC000028757677 561956956 /nfs/dbraw/zinc/95/69/56/561956956.db2.gz YZDRUERGQOPMDI-VWLOTQADSA-N -1 0 596.399 8.326 1 0 KKAFRM COc1ccc(Cc2sc3ccccc3c2-c2ccc(-c3ccc(O[C@H](Cc4ccccc4)C(=O)[O-])cc3)cc2)cc1 ZINC000028757821 561956991 /nfs/dbraw/zinc/95/69/91/561956991.db2.gz RPKFDAKJPCPGAN-MGBGTMOVSA-N -1 0 570.710 8.909 1 0 KKAFRM CCCCCC[C@H](Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1Br)C(=O)[O-] ZINC000028757966 561957097 /nfs/dbraw/zinc/95/70/97/561957097.db2.gz HXJGQXHMYYXNGF-HKBQPEDESA-N -1 0 676.445 10.685 1 0 KKAFRM COc1ccc(-c2cc(-c3ccc(-c4c5ccccc5sc4Cc4ccccc4)cc3)cc(-c3ccc(OC)cc3)c2OCC(=O)[O-])cc1 ZINC000028758347 561957223 /nfs/dbraw/zinc/95/72/23/561957223.db2.gz MXPGUEIHEJPIBY-UHFFFAOYSA-N -1 0 662.807 10.641 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Oc2ccccc2)cc1 ZINC000028760742 561957907 /nfs/dbraw/zinc/95/79/07/561957907.db2.gz FNRUAYMIOPVPNN-RBJSKKJNSA-N -1 0 552.608 5.091 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCCCOc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028760766 561958035 /nfs/dbraw/zinc/95/80/35/561958035.db2.gz WNJWSNXIZOSCTK-VEEOACQBSA-N -1 0 592.717 6.190 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761467 561958113 /nfs/dbraw/zinc/95/81/13/561958113.db2.gz LQDHQVJPGDBOJR-NSOVKSMOSA-N -1 0 540.685 5.911 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)cc1 ZINC000028763282 561958651 /nfs/dbraw/zinc/95/86/51/561958651.db2.gz HMCDKLGELSAAGW-UHFFFAOYSA-N -1 0 587.020 5.157 1 0 KKAFRM O=C([O-])CCC/C=C\c1cc(Cc2cccnc2)cc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000028771219 561961489 /nfs/dbraw/zinc/96/14/89/561961489.db2.gz RSQAZQBGWOZCCY-YWSBBKQNSA-N -1 0 525.070 5.430 1 0 KKAFRM O=C([O-])c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc(-c4ccccc4)cc3)cc2Cl)c1 ZINC000028816369 561964067 /nfs/dbraw/zinc/96/40/67/561964067.db2.gz UPQFDICVBVVYGX-OUKQBFOZSA-N -1 0 652.961 11.083 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc(-c4ccccc4)cc3)cc2Cl)c1 ZINC000028816406 561964138 /nfs/dbraw/zinc/96/41/38/561964138.db2.gz MTKXOBLNUXRWGQ-UHFFFAOYSA-N -1 0 669.948 10.165 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 ZINC000028819985 561965941 /nfs/dbraw/zinc/96/59/41/561965941.db2.gz HXCAQOXKJBHAOG-LJAQVGFWSA-N -1 0 609.645 7.563 1 0 KKAFRM CC(=O)NCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820907 561966022 /nfs/dbraw/zinc/96/60/22/561966022.db2.gz WFLDWILFGINKFF-DEOSSOPVSA-N -1 0 531.406 5.601 1 0 KKAFRM COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cccc(Br)c1)c1c([O-])cc(C)oc1=O ZINC000028820916 561966026 /nfs/dbraw/zinc/96/60/26/561966026.db2.gz JIAJGRUVTSNTEM-HHHXNRCGSA-N -1 0 588.454 6.486 1 0 KKAFRM Cc1cccc([C@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)c1 ZINC000028820956 561966182 /nfs/dbraw/zinc/96/61/82/561966182.db2.gz IBWUFLIEVULBOW-LJAQVGFWSA-N -1 0 529.592 6.868 1 0 KKAFRM Cc1ccc([C@@H](c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000028820972 561966189 /nfs/dbraw/zinc/96/61/89/561966189.db2.gz WLZLRNZXAMKDMI-GDLZYMKVSA-N -1 0 529.592 6.868 1 0 KKAFRM CN1c2ccc(NC(=O)c3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824079 561968804 /nfs/dbraw/zinc/96/88/04/561968804.db2.gz IEISGXHGJAULEF-UHFFFAOYSA-N -1 0 575.684 8.376 1 0 KKAFRM CCCCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824139 561969145 /nfs/dbraw/zinc/96/91/45/561969145.db2.gz PQEQEYNGJZOYGY-UHFFFAOYSA-N -1 0 573.759 7.526 1 0 KKAFRM O=C(Nc1ccc2cccnc2c1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028870772 561974052 /nfs/dbraw/zinc/97/40/52/561974052.db2.gz VRPOCMQEHJZLCO-UHFFFAOYSA-N -1 0 506.798 6.248 1 0 KKAFRM CC(C)NC(=O)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000028894090 561978781 /nfs/dbraw/zinc/97/87/81/561978781.db2.gz BDALAEHUVACMSR-UHFFFAOYSA-N -1 0 614.718 6.600 1 0 KKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C(F)(F)F)ccc3o2)c1)C(=O)[O-] ZINC000028900697 561979743 /nfs/dbraw/zinc/97/97/43/561979743.db2.gz UEIIYFVXACDRDS-XMMPIXPASA-N -1 0 528.527 6.564 1 0 KKAFRM CC[C@@H](Oc1cccc(CN(CCCOc2ccc3c(c2)OCO3)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900770 561979833 /nfs/dbraw/zinc/97/98/33/561979833.db2.gz LJUBGDUGJBRUJW-HSZRJFAPSA-N -1 0 504.539 5.274 1 0 KKAFRM COc1cccc(NC(=O)c2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)c1 ZINC000028951243 561981421 /nfs/dbraw/zinc/98/14/21/561981421.db2.gz NPPXIWPMCDIBCA-KAYWLYCHSA-N -1 0 606.666 6.461 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2nc(C3CCCCC3)c(-c3ccc(F)cc3)nc2c1 ZINC000028879993 561976684 /nfs/dbraw/zinc/97/66/84/561976684.db2.gz OFVMXGGTSGVTBF-NDEPHWFRSA-N -1 0 536.607 6.391 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@@](O)(C(=O)[O-])C(F)(F)F)ccc1OCCc1ccccc1 ZINC000028961596 561984364 /nfs/dbraw/zinc/98/43/64/561984364.db2.gz XNNIOBJKRYGVIG-MUUNZHRXSA-N -1 0 592.035 6.849 1 0 KKAFRM O=C([O-])C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 ZINC000028962351 561984544 /nfs/dbraw/zinc/98/45/44/561984544.db2.gz KZCXFPCSRNPGPI-PGUFJCEWSA-N -1 0 542.635 6.990 1 0 KKAFRM COc1ccc(-n2nc(/C=C(\C(=O)[O-])c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000028963383 561984644 /nfs/dbraw/zinc/98/46/44/561984644.db2.gz WUHOJANFEIJHLK-UNOMPAQXSA-N -1 0 534.226 7.787 1 0 KKAFRM CCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972028 561985885 /nfs/dbraw/zinc/98/58/85/561985885.db2.gz LPIOWSAERUUNFA-FQEVSTJZSA-N -1 0 524.605 6.732 1 0 KKAFRM CCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028971970 561985898 /nfs/dbraw/zinc/98/58/98/561985898.db2.gz URMICMHZDOXQQE-IBGZPJMESA-N -1 0 510.578 6.342 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977825 561987447 /nfs/dbraw/zinc/98/74/47/561987447.db2.gz OACZRTSAVJISLU-CLJLJLNGSA-N -1 0 632.686 5.207 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(Cc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977792 561987453 /nfs/dbraw/zinc/98/74/53/561987453.db2.gz UMIIBUJRMKQTQV-RPBOFIJWSA-N -1 0 618.659 5.013 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)[O-])CCN(C(=O)OCC(C)C)C2)c1 ZINC000029045666 561992628 /nfs/dbraw/zinc/99/26/28/561992628.db2.gz PBQCEEAEDZVCNH-UHFFFAOYSA-N -1 0 518.610 5.998 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000029059437 561995526 /nfs/dbraw/zinc/99/55/26/561995526.db2.gz MJOKUKMTMHSGFV-CCSYEOTBSA-N -1 0 710.828 6.464 1 0 KKAFRM COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000029061673 561995890 /nfs/dbraw/zinc/99/58/90/561995890.db2.gz UJOQZQKRUNERFC-UHFFFAOYSA-N -1 0 563.404 5.069 1 0 in-vitro KKAFRM COc1cccc(-c2nc(CCOc3cccc(C[C@@H]4C(=O)N(c5ccc(C(C)(C)C)cc5)[C@@H]4C(=O)[O-])c3)c(C)o2)c1 ZINC000029126530 561998728 /nfs/dbraw/zinc/99/87/28/561998728.db2.gz LPCDOMMRICKOBC-JDXGNMNLSA-N -1 0 568.670 6.236 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@H]2C(=O)[O-])c1 ZINC000029126574 561998765 /nfs/dbraw/zinc/99/87/65/561998765.db2.gz XRVNSFDHOMAYDC-XRKRLSELSA-N -1 0 538.644 6.228 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126666 561998796 /nfs/dbraw/zinc/99/87/96/561998796.db2.gz XUCFNKPVYCHTKK-AHWVRZQESA-N -1 0 500.526 5.069 1 0 KKAFRM C[C@H]1COc2c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000029128328 562000812 /nfs/dbraw/zinc/00/08/12/562000812.db2.gz MVYUVXAGLVQPKP-AVRWGWEMSA-N -1 0 548.014 5.357 1 0 KKAFRM CC(C)[C@@H](c1nc(C(=O)[O-])c(Cc2ccc3ccccc3c2)[nH]1)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000029128564 562000941 /nfs/dbraw/zinc/00/09/41/562000941.db2.gz PKLXUXOLWGFFOC-DEOSSOPVSA-N -1 0 546.476 6.177 1 0 KKAFRM O=C([O-])c1nc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1-c1ccc2ccccc2c1 ZINC000029128622 562001148 /nfs/dbraw/zinc/00/11/48/562001148.db2.gz HAKSBSNOEGNGPI-FQEVSTJZSA-N -1 0 516.406 5.761 1 0 KKAFRM O=C([O-])CCC/C=C/c1cc(Cc2cccnc2)cc2c1CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029202881 562004820 /nfs/dbraw/zinc/00/48/20/562004820.db2.gz RSQAZQBGWOZCCY-GVKJAXJASA-N -1 0 525.070 5.430 1 0 KKAFRM CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(Br)nc2OC)c1-c1ccc(CC(C)C)cc1 ZINC000029207130 562005340 /nfs/dbraw/zinc/00/53/40/562005340.db2.gz CJZFVLUVSQCXNF-UHFFFAOYSA-N -1 0 589.556 5.834 1 0 KKAFRM O=C([O-])C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212552 562005900 /nfs/dbraw/zinc/00/59/00/562005900.db2.gz JQOTYKQFFPNESQ-LSYYVWMOSA-N -1 0 641.596 5.738 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)NCCCc1ccccc1 ZINC000029216529 562006608 /nfs/dbraw/zinc/00/66/08/562006608.db2.gz KNAQWLKHEMSQKQ-WDYNHAJCSA-N -1 0 687.665 5.153 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029217411 562006675 /nfs/dbraw/zinc/00/66/75/562006675.db2.gz OQUSFOUBOFXZKU-RPBOFIJWSA-N -1 0 622.977 5.520 1 0 KKAFRM CC1(C)CCC(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000029220833 562007273 /nfs/dbraw/zinc/00/72/73/562007273.db2.gz AUROWYJLELKNKL-KAYWLYCHSA-N -1 0 679.686 5.489 1 0 KKAFRM CCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c2nc(C)cc3C)cc1 ZINC000029329957 562013735 /nfs/dbraw/zinc/01/37/35/562013735.db2.gz ZYBJPUVGTLOXES-UHFFFAOYSA-N -1 0 554.738 6.021 1 0 KKAFRM CC(C)(C(=O)[O-])c1cccc(-c2ccc([C@@H](Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cc2)c1 ZINC000029238798 562009886 /nfs/dbraw/zinc/00/98/86/562009886.db2.gz OYWPKJMMVVHGCE-RUZDIDTESA-N -1 0 569.551 6.927 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1cccc2c1c(Br)c(Br)n2-c1ccccc1-c1nn[nH]n1 ZINC000029315864 562012463 /nfs/dbraw/zinc/01/24/63/562012463.db2.gz MAJWOAPNWOWIQC-UHFFFAOYSA-N -1 0 633.732 6.275 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1cc(Oc2ccccc2)ncn1 ZINC000029342445 562015602 /nfs/dbraw/zinc/01/56/02/562015602.db2.gz RKGPPVOPNYIFTO-FQEVSTJZSA-N -1 0 524.364 5.331 1 0 KKAFRM CCC[S@@](=O)c1cc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])ncc1Cl ZINC000029347474 562016457 /nfs/dbraw/zinc/01/64/57/562016457.db2.gz BUURXBWZMBAAGF-GFRFHLAZSA-N -1 0 555.871 5.315 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3cc(F)c(F)cc3s2)c1 ZINC000029392720 562017759 /nfs/dbraw/zinc/01/77/59/562017759.db2.gz HWCOCJJSVWELFF-OXIVNLASSA-N -1 0 593.761 8.634 1 0 KKAFRM CC(C)c1ccc2c(CCCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)[O-])c-2cc1 ZINC000029410864 562021697 /nfs/dbraw/zinc/02/16/97/562021697.db2.gz LJCIQORSIANVMT-UHFFFAOYSA-N -1 0 510.077 5.970 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029469508 562025156 /nfs/dbraw/zinc/02/51/56/562025156.db2.gz OQHBFPBWKNCKGR-UHFFFAOYSA-N -1 0 547.633 5.377 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029469503 562025158 /nfs/dbraw/zinc/02/51/58/562025158.db2.gz ZZGWEFLUSUHZRZ-UHFFFAOYSA-N -1 0 561.660 5.388 1 0 KKAFRM CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000029478425 562026735 /nfs/dbraw/zinc/02/67/35/562026735.db2.gz XKNMPXLJYWBFDU-PMERELPUSA-N -1 0 545.701 7.961 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCOCCCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029479041 562026857 /nfs/dbraw/zinc/02/68/57/562026857.db2.gz RDEBUULLBLDEFT-UHFFFAOYSA-N -1 0 572.695 6.201 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCCC3)cc12 ZINC000029478908 562026858 /nfs/dbraw/zinc/02/68/58/562026858.db2.gz DPIZIIGHFHBBGL-UHFFFAOYSA-N -1 0 609.148 5.854 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)ccnc3Cl)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000029553165 562031576 /nfs/dbraw/zinc/03/15/76/562031576.db2.gz MFMLIJVXQARVAA-IDISGSTGSA-N -1 0 674.390 5.303 1 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504.501 6.940 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2ccccc2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799723 562040547 /nfs/dbraw/zinc/04/05/47/562040547.db2.gz LCRNDTPQUQXLMU-LITRCPILSA-N -1 0 617.739 6.205 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799729 562040658 /nfs/dbraw/zinc/04/06/58/562040658.db2.gz GXAFMKJFWWBYNW-YKILCQELSA-N -1 0 719.828 6.375 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036088604 562046438 /nfs/dbraw/zinc/04/64/38/562046438.db2.gz AWCLHLGSQOIWDA-IZLXSDGUSA-N -1 0 621.140 5.036 1 0 KKAFRM O=C([O-])C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000036184586 562050180 /nfs/dbraw/zinc/05/01/80/562050180.db2.gz UHDVYHWPJKKLPO-IRLDBZIGSA-N -1 0 595.220 5.950 1 0 KKAFRM C[C@H](C(=O)c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(Br)cc1 ZINC000036184636 562050251 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ZINC000036310663 562055034 /nfs/dbraw/zinc/05/50/34/562055034.db2.gz MSPJLXKXYOLFRN-UHFFFAOYSA-N -1 0 603.140 6.325 1 0 KKAFRM Cc1cc(OCc2cc(-c3ccc(N(C)C)cc3)cc(-c3ccc(N(C)C)cc3)c2)ccc1OCC(=O)[O-] ZINC000037866910 562062286 /nfs/dbraw/zinc/06/22/86/562062286.db2.gz WJMQHSYBNZQVQA-UHFFFAOYSA-N -1 0 510.634 6.503 1 0 KKAFRM Cc1ccc(OCc2ccccc2)c(C/C=C/c2ccccc2/C=C/C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000036349305 562058002 /nfs/dbraw/zinc/05/80/02/562058002.db2.gz VQDKNZHEUFCAEA-ZXCYXOSYSA-N -1 0 529.683 6.410 1 0 KKAFRM CC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000036350411 562058083 /nfs/dbraw/zinc/05/80/83/562058083.db2.gz BURHZYQNFRNJRU-UHFFFAOYSA-N -1 0 579.096 9.009 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(Cl)ccc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1 ZINC000036350410 562058086 /nfs/dbraw/zinc/05/80/86/562058086.db2.gz CRRUDWMTYYAPJT-UHFFFAOYSA-N -1 0 571.504 9.460 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cccnc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1 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biogenic,in-vitro KKAFRM CC(C)CN(c1ccc(C(F)(F)F)cc1OCc1ccc(/C=C/C(=O)[O-])cc1)S(=O)(=O)c1ccco1 ZINC000001488813 560180694 /nfs/dbraw/zinc/18/06/94/560180694.db2.gz LOQMSUDLLHPPHQ-FMIVXFBMSA-N -1 0 523.529 5.827 1 0 in-vitro KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(Oc4ccccc4)cc32)cc1 ZINC000043060946 562645163 /nfs/dbraw/zinc/64/51/63/562645163.db2.gz NOJPCMFZHXLBCX-ZHACJKMWSA-N -1 0 610.666 6.927 1 0 KKAFRM O=C([O-])/C=C/CN1CCc2c(c3ccccc3n2Cc2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)C1 ZINC000043119989 562646050 /nfs/dbraw/zinc/64/60/50/562646050.db2.gz ZFQPMHOCTSJGGH-VDIYVKJESA-N -1 0 534.059 7.061 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(c1)CC(=O)N(c1cccc(C(=O)[O-])c1)C2 ZINC000043120511 562646114 /nfs/dbraw/zinc/64/61/14/562646114.db2.gz TWDIDUBNRWACLI-UHFFFAOYSA-N -1 0 551.426 7.138 1 0 KKAFRM Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCc3nnn[n-]3)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000043174814 562646613 /nfs/dbraw/zinc/64/66/13/562646613.db2.gz 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562682716 /nfs/dbraw/zinc/68/27/16/562682716.db2.gz RWDHSSWDZAIOQK-UHFFFAOYSA-N -1 0 566.724 5.019 1 0 KKAFRM CC[C@@H](C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049781372 562682975 /nfs/dbraw/zinc/68/29/75/562682975.db2.gz CGRGKUIDQSEVQL-WCHFKWRDSA-N -1 0 540.829 8.831 1 0 KKAFRM C[C@]([NH3+])(COP(=O)([O-])[O-])c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 ZINC000049784682 562683737 /nfs/dbraw/zinc/68/37/37/562683737.db2.gz LXNKUNKMYYJPKD-VWLOTQADSA-N -1 0 547.470 5.625 1 0 KKAFRM COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cccc(C(=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000049784783 562683783 /nfs/dbraw/zinc/68/37/83/562683783.db2.gz DBYLEOXAIOCNPC-JLKMOJGBSA-N -1 0 560.631 5.286 1 0 KKAFRM CCCCOc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049785878 562684147 /nfs/dbraw/zinc/68/41/47/562684147.db2.gz YWIDYLVJAJCXGL-UHFFFAOYSA-N -1 0 587.616 7.905 1 0 KKAFRM 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O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(I)cc(I)c1[O-] ZINC000049872329 562689959 /nfs/dbraw/zinc/68/99/59/562689959.db2.gz PBOQRLWIXLEFCJ-UHFFFAOYSA-N -1 0 556.141 5.597 1 0 KKAFRM CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](OC(C)=O)[C@]4(C)C(=O)[O-])[C@H]3CC[C@@H]12 ZINC000049872371 562689984 /nfs/dbraw/zinc/68/99/84/562689984.db2.gz VMXISGBTRUTHGY-OSCPPJABSA-N -1 0 690.871 5.626 1 0 KKAFRM CC(C)c1onc(COc2cccc(Cl)c2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000049881482 562690876 /nfs/dbraw/zinc/69/08/76/562690876.db2.gz FIQHCMIUHTZZMW-MDZDMXLPSA-N -1 0 572.872 8.785 1 0 KKAFRM C[C@@H]1C(=O)NCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049888793 562691496 /nfs/dbraw/zinc/69/14/96/562691496.db2.gz UFZHQYRGLLGGSU-HHHXNRCGSA-N -1 0 729.299 5.534 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3cc4cccc(C(F)(F)F)c4nc3C(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000049888870 562691527 /nfs/dbraw/zinc/69/15/27/562691527.db2.gz QNIFCZFJMBLSMY-XMMPIXPASA-N -1 0 626.575 6.906 1 0 KKAFRM CC(=O)N1CCN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1 ZINC000049889286 562691961 /nfs/dbraw/zinc/69/19/61/562691961.db2.gz PQGHSMKSPQFHNI-UHFFFAOYSA-N -1 0 743.326 5.878 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000049898178 562692299 /nfs/dbraw/zinc/69/22/99/562692299.db2.gz AJRKSLWLFLTFCK-CUNXSJBXSA-N -1 0 674.390 5.303 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2CO)cc1 ZINC000049898333 562692451 /nfs/dbraw/zinc/69/24/51/562692451.db2.gz LFBTUGUIMZEBCF-UHFFFAOYSA-N -1 0 707.292 7.960 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-n2ccc3ccccc32)cc1)NC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccccc1 ZINC000049898317 562692462 /nfs/dbraw/zinc/69/24/62/562692462.db2.gz ALEGWBJMAZKMTC-SAIUNTKASA-N -1 0 646.744 5.638 1 0 KKAFRM Cc1ccccc1CS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898351 562692480 /nfs/dbraw/zinc/69/24/80/562692480.db2.gz POKGWTUFPVVJFQ-UHFFFAOYSA-N -1 0 693.265 8.223 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@H]3CNC(=O)NC)nc2-c2ccc(C)cc2F)c1 ZINC000049898352 562692492 /nfs/dbraw/zinc/69/24/92/562692492.db2.gz NDLZHOPRSWBFBG-HHHXNRCGSA-N -1 0 664.738 5.497 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049898803 562692889 /nfs/dbraw/zinc/69/28/89/562692889.db2.gz MJWNCARJMXLNBF-OBIUNXADSA-N -1 0 661.924 8.093 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2cc(Cl)c(NC(=O)Nc3ccccc3Br)cc2F)cc1 ZINC000049902717 562693384 /nfs/dbraw/zinc/69/33/84/562693384.db2.gz IWGNNKVAMHXIPW-ROUUACIJSA-N -1 0 622.850 6.144 1 0 KKAFRM CC[C@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000049918228 562694622 /nfs/dbraw/zinc/69/46/22/562694622.db2.gz CSMUMGBDUUSWKP-ILBGXUMGSA-N -1 0 643.274 9.365 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CNS(=O)(=O)CCc2ccccc2)cc1 ZINC000049942491 562695530 /nfs/dbraw/zinc/69/55/30/562695530.db2.gz IGQRCMCNMDKVKX-UHFFFAOYSA-N -1 0 679.238 7.914 1 0 KKAFRM COc1cccc(OC)c1-c1ccc(C[C@@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000053092356 562696197 /nfs/dbraw/zinc/69/61/97/562696197.db2.gz HARMSUUPEPBDFC-LJQANCHMSA-N -1 0 513.434 6.516 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4ccc(F)c(C(F)(F)F)c4)cs3)cc2Cl)CC1 ZINC000053226664 562696587 /nfs/dbraw/zinc/69/65/87/562696587.db2.gz VFNQJZHNHMUBID-UHFFFAOYSA-N -1 0 528.915 5.570 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053243605 562696790 /nfs/dbraw/zinc/69/67/90/562696790.db2.gz CHUGNRXCGUUUCA-QRVIBDJDSA-N -1 0 543.519 6.228 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053297996 562697494 /nfs/dbraw/zinc/69/74/94/562697494.db2.gz BAQKUFUISXWDLD-QRVIBDJDSA-N -1 0 509.967 5.862 1 0 KKAFRM O=C([O-])c1ccccc1OCc1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058564036 562699409 /nfs/dbraw/zinc/69/94/09/562699409.db2.gz IVCFYXJDUZMMKD-UHFFFAOYSA-N -1 0 579.358 7.796 1 0 KKAFRM O=C([O-])/C=C/c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000058581512 562699823 /nfs/dbraw/zinc/69/98/23/562699823.db2.gz IBSQBBOGPJGCFE-PJQLUOCWSA-N -1 0 527.642 6.467 1 0 KKAFRM C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)N(CCc2c[nH]cn2)C1=O)COS(=O)(=O)[O-] ZINC000059151573 562701769 /nfs/dbraw/zinc/70/17/69/562701769.db2.gz KYSKWYJBCHWKSD-WNKWKMONSA-N -1 0 575.772 5.432 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@H](C(F)(F)F)N2C)c1 ZINC000059282859 562701977 /nfs/dbraw/zinc/70/19/77/562701977.db2.gz JVAGOTMUORBIKU-RJGXRXQPSA-N -1 0 501.511 7.674 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000060327076 562702692 /nfs/dbraw/zinc/70/26/92/562702692.db2.gz PVSSSRUYJKXPKM-NRFANRHFSA-N -1 0 585.022 7.349 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(C(F)(F)F)c1 ZINC000060326820 562702699 /nfs/dbraw/zinc/70/26/99/562702699.db2.gz HYNCRNBGXDRESJ-NRFANRHFSA-N -1 0 615.048 7.358 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 ZINC000060328776 562702842 /nfs/dbraw/zinc/70/28/42/562702842.db2.gz VCKLKUUEQQEJHF-NRFANRHFSA-N -1 0 535.015 6.469 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc32)n(-c2cccc(C(=O)NCCCCC(=O)[O-])c2)n1 ZINC000063540278 562704585 /nfs/dbraw/zinc/70/45/85/562704585.db2.gz KYJVTVJLGYDBGQ-UHFFFAOYSA-N -1 0 527.625 5.952 1 0 KKAFRM C[C@@H](Oc1cccc(C(=O)[O-])c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000064311487 562704782 /nfs/dbraw/zinc/70/47/82/562704782.db2.gz OYQTZOXIZXROCL-CQSZACIVSA-N -1 0 593.385 8.357 1 0 KKAFRM O=C1[N-]C(=O)C(=C(C=Cc2c3cc(Cl)ccc3[nH]c2-c2ccccc2)c2ccc(Cl)cc2)C(=O)N1 ZINC000064503338 562705994 /nfs/dbraw/zinc/70/59/94/562705994.db2.gz AQPZTJRTKUTBNF-VAWYXSNFSA-N -1 0 502.357 6.815 1 0 KKAFRM CC(C)=CCC/C(C)=C/COc1cc(=O)c2c([O-])c(OC/C=C(\C)CCC=C(C)C)c(-c3ccc(O)cc3)oc-2c1 ZINC000064504086 562706133 /nfs/dbraw/zinc/70/61/33/562706133.db2.gz PGWZSRXDPLOEDZ-RPCRKUJJSA-N -1 0 558.715 9.014 1 0 KKAFRM CC(C)=CCC/C=C(\C)Cc1c([O-])cc(O)c2c(=O)c(OC/C=C(\C)CCC=C(C)C)c(-c3ccc(O)cc3)oc12 ZINC000064510532 562706158 /nfs/dbraw/zinc/70/61/58/562706158.db2.gz IVSUQALSDRUUDR-GOQWIGFTSA-N -1 0 558.715 8.884 1 0 KKAFRM C[C@](O)(c1ccc(Cl)cc1)c1ccc(Cl)c(CCOc2ccc(-c3ccc(C(=O)[O-])cc3)cc2)c1 ZINC000064513490 562706430 /nfs/dbraw/zinc/70/64/30/562706430.db2.gz SNNAEGQGFRLGPM-LJAQVGFWSA-N -1 0 507.413 7.236 1 0 KKAFRM CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000064527463 562707004 /nfs/dbraw/zinc/70/70/04/562707004.db2.gz RQXKSSUCNKSXAB-WJOKGBTCSA-N -1 0 600.679 5.570 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000064600164 562708832 /nfs/dbraw/zinc/70/88/32/562708832.db2.gz NFQKRVCFZOWMGI-SVBPBHIXSA-N -1 0 558.527 7.487 3 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)c(F)c1 ZINC000064744165 562709146 /nfs/dbraw/zinc/70/91/46/562709146.db2.gz DGVNGMXASUNRAO-VWLOTQADSA-N -1 0 541.957 7.232 1 0 in-vivo KKAFRM CCCOc1cc(C(=O)[O-])nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc21 ZINC000066066575 562709454 /nfs/dbraw/zinc/70/94/54/562709454.db2.gz VNAHAYWTLHBWGH-UHFFFAOYSA-N -1 0 591.491 9.053 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)nc1 ZINC000066076715 562710196 /nfs/dbraw/zinc/71/01/96/562710196.db2.gz SRTGJTIYMZNURG-XMMPIXPASA-N -1 0 524.955 6.488 1 0 KKAFRM CCOc1ccccc1[C@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000066077515 562710288 /nfs/dbraw/zinc/71/02/88/562710288.db2.gz VKBLREAORYIWRA-MMTVBGGISA-N -1 0 559.103 5.303 1 0 KKAFRM O=C([O-])c1cc(-c2cccc(COc3ccc4c(c3)CN(Cc3ccc(C(F)(F)F)cc3)C4=O)c2)ccc1Cl ZINC000066100195 562711228 /nfs/dbraw/zinc/71/12/28/562711228.db2.gz UWTLBJDYPAUTTF-UHFFFAOYSA-N -1 0 551.948 7.459 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCCC(=O)Nc2ccc3ccccc3c2)nn1 ZINC000066112085 562711925 /nfs/dbraw/zinc/71/19/25/562711925.db2.gz SARXQVWGSXSTHJ-UHFFFAOYSA-N -1 0 532.556 6.334 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2cc3ccc(C(=O)[O-])nc3cc2F)cc1 ZINC000066112653 562712063 /nfs/dbraw/zinc/71/20/63/562712063.db2.gz RSPVGFVKVVHGQD-UHFFFAOYSA-N -1 0 551.401 8.403 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)[O-])cnc3c2)cc1 ZINC000066112893 562712095 /nfs/dbraw/zinc/71/20/95/562712095.db2.gz MLFQDCLXOFYBNR-UHFFFAOYSA-N -1 0 534.399 7.659 1 0 KKAFRM CCCc1ccc(C)c(Oc2ccc(Cl)cc2NC(=O)c2cc(Cl)cc(Br)c2[O-])c1 ZINC000066251949 562714569 /nfs/dbraw/zinc/71/45/69/562714569.db2.gz CHGOXMXMSGRJLZ-UHFFFAOYSA-N -1 0 509.227 7.767 1 0 KKAFRM C[C@H](Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)[O-] ZINC000071295294 562717224 /nfs/dbraw/zinc/71/72/24/562717224.db2.gz XBRMNXZEERYMMV-SFHVURJKSA-N -1 0 501.007 7.440 1 0 KKAFRM CC(=O)c1ccc(-c2ccc(C(=O)N(C)C)cc2COc2ccc(-c3cc(C=C(C)C(=O)[O-])nn3C3CCCCC3)cc2)s1 ZINC000071295274 562717225 /nfs/dbraw/zinc/71/72/25/562717225.db2.gz PGBMTPKCVUKLRZ-RELWKKBWSA-N -1 0 611.764 7.755 1 0 KKAFRM CCOc1c(F)c(F)c(CN(c2ccc(C(=O)[O-])cc2)c2ccc3c(c2)C(C)(C)CCC3(C)C)c(F)c1F ZINC000071296753 562717582 /nfs/dbraw/zinc/71/75/82/562717582.db2.gz IOBQYPNFDIKPTB-UHFFFAOYSA-N -1 0 529.574 8.027 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1OC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071317001 562718133 /nfs/dbraw/zinc/71/81/33/562718133.db2.gz AGOONXNQGYHFDR-FQEVSTJZSA-N -1 0 546.085 6.480 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(C)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071330625 562719187 /nfs/dbraw/zinc/71/91/87/562719187.db2.gz FPXPNQMJSUYWAC-QHCPKHFHSA-N -1 0 509.668 6.435 1 0 KKAFRM COCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071330844 562719241 /nfs/dbraw/zinc/71/92/41/562719241.db2.gz SCXNMRCBDPFUOM-HXUWFJFHSA-N -1 0 532.058 5.626 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000071331893 562719303 /nfs/dbraw/zinc/71/93/03/562719303.db2.gz IOEDCHYUOWFTDY-LTGZKZEYSA-N -1 0 563.698 7.138 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cccs1 ZINC000071332676 562719389 /nfs/dbraw/zinc/71/93/89/562719389.db2.gz KATWFNSVZJRYGN-QGOAFFKASA-N -1 0 569.727 7.199 1 0 KKAFRM CC(C)(NC(=O)c1ccc2c(c1)[nH]c(-c1ccoc1)c2C1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000071332609 562719404 /nfs/dbraw/zinc/71/94/04/562719404.db2.gz SEJVGBWROZKVDP-XNTDXEJSSA-N -1 0 539.632 6.721 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(-c4ccc(C(=O)[O-])o4)cc3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071333121 562719441 /nfs/dbraw/zinc/71/94/41/562719441.db2.gz NRMGOMVSQXIZJB-UHFFFAOYSA-N -1 0 604.707 7.393 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)[O-] ZINC000071333811 562719488 /nfs/dbraw/zinc/71/94/88/562719488.db2.gz LIHHKYPRNWZGAE-KPTGVQKFSA-N -1 0 535.816 7.113 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(-c4nc(C(=O)[O-])cs4)cc3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071335388 562719669 /nfs/dbraw/zinc/71/96/69/562719669.db2.gz HGRQDTIQXXMRRS-UHFFFAOYSA-N -1 0 621.763 7.257 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccccc1Oc1ccccc1)C(=O)[O-] ZINC000071335209 562719671 /nfs/dbraw/zinc/71/96/71/562719671.db2.gz LFZYDNHNQFRHDP-FDVXRVMTSA-N -1 0 557.778 7.363 1 0 KKAFRM CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000072116675 562723187 /nfs/dbraw/zinc/72/31/87/562723187.db2.gz FCKLOCAKFGXTQF-UHFFFAOYSA-N -1 0 571.095 5.645 1 0 KKAFRM CCCC[C@H](Sc1nc(OCCc2ccc(OC(F)(F)F)cc2)cc(OCCc2ccc(OC(F)(F)F)cc2)n1)C(=O)[O-] ZINC000072125141 562725188 /nfs/dbraw/zinc/72/51/88/562725188.db2.gz PDDCQAHTKIBSGG-QFIPXVFZSA-N -1 0 634.595 7.252 1 0 KKAFRM O=C([O-])CCCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000072133983 562727036 /nfs/dbraw/zinc/72/70/36/562727036.db2.gz NPUCCRDDHOGKBR-IXCJQBJRSA-N -1 0 636.344 7.012 1 0 KKAFRM O=C([O-])CCCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000072133969 562727043 /nfs/dbraw/zinc/72/70/43/562727043.db2.gz NPUCCRDDHOGKBR-XTEPFMGCSA-N -1 0 636.344 7.012 1 0 in-vivo KKAFRM O=C([O-])CCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000072133979 562727048 /nfs/dbraw/zinc/72/70/48/562727048.db2.gz BYGRZUBINAXJEF-AHKZPQOWSA-N -1 0 622.317 6.622 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1csc(-c2cccnc2)n1 ZINC000072134032 562727151 /nfs/dbraw/zinc/72/71/51/562727151.db2.gz SVTPIZAKPURYLT-QGOAFFKASA-N -1 0 647.801 7.656 1 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000072135017 562727450 /nfs/dbraw/zinc/72/74/50/562727450.db2.gz XPFRDNKWIJCQQQ-OZXSUGGESA-N -1 0 572.477 5.663 3 0 KKAFRM CCC(=O)n1cc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]1(C)C2 ZINC000072170835 562730419 /nfs/dbraw/zinc/73/04/19/562730419.db2.gz KGQCBUCYAZMWBC-WKSHVXBWSA-N -1 0 534.785 7.833 1 0 KKAFRM CC(C)c1nc(-c2cc(F)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1 ZINC000072176003 562731472 /nfs/dbraw/zinc/73/14/72/562731472.db2.gz DLBKYRULRFBWPH-UHFFFAOYSA-N -1 0 667.739 6.584 1 0 KKAFRM CC(C)c1nc(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1 ZINC000072176300 562731577 /nfs/dbraw/zinc/73/15/77/562731577.db2.gz LFYJXEXEFATBPN-UHFFFAOYSA-N -1 0 649.749 6.445 1 0 KKAFRM Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)c3ccc(C(=O)[O-])cc3)s2)c1 ZINC000072315494 562733076 /nfs/dbraw/zinc/73/30/76/562733076.db2.gz NQBPSXGCDSSTGM-QHCPKHFHSA-N -1 0 500.502 5.625 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)[O-] ZINC000073139115 562733469 /nfs/dbraw/zinc/73/34/69/562733469.db2.gz QEVUKTOHTYCKMA-HSZRJFAPSA-N -1 0 507.530 5.339 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cc(C)ccn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073160547 562734059 /nfs/dbraw/zinc/73/40/59/562734059.db2.gz LRSJXPMSXKGEGX-UHFFFAOYSA-N -1 0 623.819 8.587 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(F)(F)F)cc1 ZINC000073168988 562734762 /nfs/dbraw/zinc/73/47/62/562734762.db2.gz PMIHQEYGXPMLJD-OAQYLSRUSA-N -1 0 585.022 7.349 1 0 KKAFRM Cn1c(SCCCC(=O)[O-])nc2c1c(Br)c(Br)c(Br)c2Br ZINC000073199533 562736026 /nfs/dbraw/zinc/73/60/26/562736026.db2.gz WRTWYONUUYDQCF-UHFFFAOYSA-N -1 0 565.907 5.580 1 0 KKAFRM C[C@@H](Oc1cc(Cn2c(=O)n(-c3nc4ccc(Cl)cc4s3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)[O-] ZINC000073199059 562735928 /nfs/dbraw/zinc/73/59/28/562735928.db2.gz ZCKJTXYTXCEUGV-GFCCVEGCSA-N -1 0 582.387 6.628 1 0 KKAFRM C/C=C/C=C(\C)C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000073221649 562736329 /nfs/dbraw/zinc/73/63/29/562736329.db2.gz VPVZBWLFVXTRGZ-KGNDDSKOSA-N -1 0 506.643 5.914 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccccc3)ccc2c1 ZINC000073314216 562738007 /nfs/dbraw/zinc/73/80/07/562738007.db2.gz XYHVTKRWUAZCBU-WJOKGBTCSA-N -1 0 569.683 6.691 1 0 KKAFRM CC[C@@H](Oc1cccc(Cn2c3cc(C(F)(F)F)ccc3n(-c3noc4cc(OC)ccc43)c2=O)c1)C(=O)[O-] ZINC000073389114 562738593 /nfs/dbraw/zinc/73/85/93/562738593.db2.gz GPSIAMKGPQDROJ-JOCHJYFZSA-N -1 0 541.482 5.251 1 0 KKAFRM Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(-c3cc(C(F)(F)F)ccn3)cc2)nc1 ZINC000082137930 562739051 /nfs/dbraw/zinc/73/90/51/562739051.db2.gz GXYBYLNYVQUPKN-UHFFFAOYSA-N -1 0 661.790 9.597 1 0 KKAFRM CCCCCS(=O)(=O)[N-]C(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000082158163 562741090 /nfs/dbraw/zinc/74/10/90/562741090.db2.gz XBWPSVQIRYMIBM-MDZDMXLPSA-N -1 0 521.989 5.040 1 0 KKAFRM CCCCOc1ccc([C@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000082182131 562742124 /nfs/dbraw/zinc/74/21/24/562742124.db2.gz GSWWFVJGTBDHRO-DHUJRADRSA-N -1 0 641.790 7.870 1 0 KKAFRM O=C1CS[C@]2(CC(/C=C/c3ccccc3Br)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000082191076 562742678 /nfs/dbraw/zinc/74/26/78/562742678.db2.gz PVIXJDRMHMEFJV-WUZNFDRSSA-N -1 0 627.567 6.019 1 0 KKAFRM CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2c(Cl)cn3CCC(=O)[O-])s1 ZINC000084597018 562743902 /nfs/dbraw/zinc/74/39/02/562743902.db2.gz ZYDJLZROFGHPGJ-UHFFFAOYSA-N -1 0 550.990 6.754 1 0 KKAFRM O=C([O-])c1c(-c2cn[nH]n2)sc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc43)cc(=O)n21 ZINC000084652366 562746468 /nfs/dbraw/zinc/74/64/68/562746468.db2.gz VLJWSYXXIBOFDV-UHFFFAOYSA-N -1 0 546.530 6.274 1 0 KKAFRM Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(NCCC(=O)[O-])cc21 ZINC000084652757 562746667 /nfs/dbraw/zinc/74/66/67/562746667.db2.gz BVFNSOHLHNYADB-UHFFFAOYSA-N -1 0 509.484 5.363 1 0 KKAFRM CS(=O)(=O)c1ccc(Cl)c(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084654206 562747213 /nfs/dbraw/zinc/74/72/13/562747213.db2.gz CUSLWNBCMONUNY-QHCPKHFHSA-N -1 0 649.936 5.421 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)n2cc(-c3ccc(-c4ccccc4COc4cc(C(F)(F)F)ccc4Cl)cc3)nn2)cc1 ZINC000084654552 562747261 /nfs/dbraw/zinc/74/72/61/562747261.db2.gz BWMBAFLLRDMYGC-UHFFFAOYSA-N -1 0 614.001 6.799 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCCc2cccc(NC3CCCC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654773 562747290 /nfs/dbraw/zinc/74/72/90/562747290.db2.gz XOZRHQVPPRGARQ-DEOSSOPVSA-N -1 0 542.463 5.790 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCCc2cccc(NCC3CC3)n2)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654771 562747315 /nfs/dbraw/zinc/74/73/15/562747315.db2.gz JIYOXFLRVUFAQT-QHCPKHFHSA-N -1 0 528.436 5.258 1 0 KKAFRM CN1CCCCN(C)S(=O)(=O)[N-]C(=O)c2ccc3c(c2)n2c(c3C3CCCCC3)-c3cc(Cl)ccc3C=C(C2)C1=O ZINC000084655336 562747511 /nfs/dbraw/zinc/74/75/11/562747511.db2.gz CJTQLBDIXKIMDW-UHFFFAOYSA-N -1 0 595.165 6.140 1 0 KKAFRM CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2C)n1 ZINC000084655500 562747523 /nfs/dbraw/zinc/74/75/23/562747523.db2.gz FAEHBENUBLUAIB-NRFANRHFSA-N -1 0 516.425 5.094 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cnn(-c7ccccc7)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000084669734 562748044 /nfs/dbraw/zinc/74/80/44/562748044.db2.gz SPDMWZGKFPXINR-JFXUYYLNSA-N -1 0 556.835 8.708 1 0 KKAFRM CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)[O-])c(F)c3)c2)c(C)c1 ZINC000084670158 562748193 /nfs/dbraw/zinc/74/81/93/562748193.db2.gz SKWXNIRDMNJQTJ-UHFFFAOYSA-N -1 0 513.631 5.552 1 0 KKAFRM Cc1ccc2nc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)[O-])cs4)c3)oc2c1 ZINC000084670782 562748387 /nfs/dbraw/zinc/74/83/87/562748387.db2.gz JUFYXGLEONTECM-KSFASEQNSA-N -1 0 549.674 5.201 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084671719 562748618 /nfs/dbraw/zinc/74/86/18/562748618.db2.gz AOMAGJKZRYWVSR-RRPNLBNLSA-N -1 0 666.576 5.935 1 0 KKAFRM COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2ccc(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000084690486 562749585 /nfs/dbraw/zinc/74/95/85/562749585.db2.gz CPKXFLMGGNEACL-RRPNLBNLSA-N -1 0 662.157 5.290 1 0 KKAFRM Cn1cc(-c2c3n(c(=O)cc2Cc2cccc(COc4cccc5ccccc54)c2)[C@H](C(=O)[O-])CS3)c2ccccc21 ZINC000084705342 562749890 /nfs/dbraw/zinc/74/98/90/562749890.db2.gz PPFPICTZTXGCKN-PMERELPUSA-N -1 0 572.686 7.061 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084710001 562750444 /nfs/dbraw/zinc/75/04/44/562750444.db2.gz DHMMTLBKSCKNQS-DEOSSOPVSA-N -1 0 611.629 9.004 1 0 KKAFRM CC(C)[C@H](NC(=O)c1ncc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Oc3ccccc3)cc2)o1)C(=O)[O-] ZINC000084714098 562750928 /nfs/dbraw/zinc/75/09/28/562750928.db2.gz BOZNJSGEJQWCBQ-DEOSSOPVSA-N -1 0 548.983 6.270 1 0 KKAFRM Cc1nc(C)c(COc2cc(C)c(-c3cccc(COc4ccc5c(c4)OC[C@H]5CC(=O)[O-])c3)c(C)c2)s1 ZINC000084739176 562751959 /nfs/dbraw/zinc/75/19/59/562751959.db2.gz IGVURBUDBGZPQK-XMMPIXPASA-N -1 0 529.658 7.152 1 0 KKAFRM CCS(=O)(=O)CCOc1cc(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)[O-])c2)c(C)c1 ZINC000084759316 562752873 /nfs/dbraw/zinc/75/28/73/562752873.db2.gz CSSOGIIITHPMGY-HSZRJFAPSA-N -1 0 524.635 5.314 1 0 KKAFRM Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc(CCC(=O)[O-])c(F)c2)c1 ZINC000084759388 562752908 /nfs/dbraw/zinc/75/29/08/562752908.db2.gz QJNHMSLLXLIZSI-UHFFFAOYSA-N -1 0 556.652 5.024 1 0 KKAFRM O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000095535734 562753803 /nfs/dbraw/zinc/75/38/03/562753803.db2.gz CASCIOQXOQWQCW-YDAXCOIMSA-N -1 0 772.862 5.648 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095535823 562753856 /nfs/dbraw/zinc/75/38/56/562753856.db2.gz XQSLFVMKHQFNQA-QPPIDDCLSA-N -1 0 825.384 9.198 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(C)cc6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000095536709 562754059 /nfs/dbraw/zinc/75/40/59/562754059.db2.gz DRQHEEXWOUGFAE-WGYIJZORSA-N -1 0 774.779 6.405 1 0 KKAFRM CCCCCC(=O)N(CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000095540421 562755724 /nfs/dbraw/zinc/75/57/24/562755724.db2.gz AONDRVNUVMJTSO-UHFFFAOYSA-N -1 0 819.981 5.166 1 0 KKAFRM O=C([O-])[C@@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)NC(=O)c1ccc2ccccc2n1 ZINC000095542105 562756525 /nfs/dbraw/zinc/75/65/25/562756525.db2.gz OENMYYFUHBEBHD-JBIUEMIMSA-N -1 0 765.789 6.082 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccccc3-c3ccccc3)c(OCc3ccccc3-c3ccccc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000095542345 562756673 /nfs/dbraw/zinc/75/66/73/562756673.db2.gz SJUBUBBJXPUWBT-SISPBFPDSA-N -1 0 772.322 12.859 1 0 KKAFRM O=C([O-])c1ccc(C2=c3ccc([nH]3)=C(c3ccc(C(=O)[O-])cc3)[C@H]3C=C[C@@H]([NH2+]3)C(c3ccc(C(=O)[O-])cc3)=C3C=CC(=N3)C(c3ccc(Cl)cc3)=C3C=CC2=[NH+]3)cc1 ZINC000095546459 562758490 /nfs/dbraw/zinc/75/84/90/562758490.db2.gz JOBDRBLDQSIYHR-KFSLQZOLSA-N -1 0 783.240 6.915 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000095547779 562758873 /nfs/dbraw/zinc/75/88/73/562758873.db2.gz SVDUEIPLOOODBA-LWQOTUEFSA-N -1 0 785.894 7.067 1 0 KKAFRM COc1cc(C=CC(=O)OC/C(C)=C/Cc2c([O-])cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)ccc1O ZINC000095553666 562761004 /nfs/dbraw/zinc/76/10/04/562761004.db2.gz XMTUODQQJGUHQG-PFFISDNPSA-N -1 0 530.529 5.036 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H](OCc1ccccc1)c1ccccc1 ZINC000095553880 562761094 /nfs/dbraw/zinc/76/10/94/562761094.db2.gz OAQVXPDJWTUUIO-XDSPJLLDSA-N -1 0 612.726 6.713 1 0 KKAFRM CSc1ccc(OP(=O)(Oc2ccc(SC)cc2)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)COc2ccc(OCC(=O)[O-])cc2)C(C)C)C(C)C)cc1 ZINC000095554386 562761217 /nfs/dbraw/zinc/76/12/17/562761217.db2.gz GZFUXHZJBICHDC-MPRBNCHYSA-N -1 0 801.921 6.554 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000095554488 562761287 /nfs/dbraw/zinc/76/12/87/562761287.db2.gz YGCDRALNJUASGG-VSJLXWSYSA-N -1 0 626.709 6.353 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccoc4)c5C4CCCC4)CCC3)ccc21 ZINC000095572277 562769370 /nfs/dbraw/zinc/76/93/70/562769370.db2.gz YKOAOJUFASULOH-UHFFFAOYSA-N -1 0 578.669 6.577 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccc(C(F)(F)F)cn1 ZINC000095572355 562769383 /nfs/dbraw/zinc/76/93/83/562769383.db2.gz GKYBLUDPFMHHLC-LICLKQGHSA-N -1 0 618.656 7.162 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(OC(F)(F)F)cc1 ZINC000095572630 562769461 /nfs/dbraw/zinc/76/94/61/562769461.db2.gz AYWGEISQTISXEW-MRXNPFEDSA-N -1 0 592.401 7.236 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccc(F)cn4)c5C4CCCC4)CCC3)ccc21 ZINC000095572820 562769516 /nfs/dbraw/zinc/76/95/16/562769516.db2.gz PXANMJMTBMVOQH-UHFFFAOYSA-N -1 0 607.686 6.518 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1cccc2cccnc21 ZINC000095573254 562769618 /nfs/dbraw/zinc/76/96/18/562769618.db2.gz NCJYYAIDBNNMAW-HMMYKYKNSA-N -1 0 600.719 7.296 1 0 KKAFRM CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)cs1 ZINC000095573461 562769663 /nfs/dbraw/zinc/76/96/63/562769663.db2.gz UJXIRYXCDFGNIK-SFQUDFHCSA-N -1 0 625.795 6.805 1 0 KKAFRM COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)cc3)C2)cc1OC ZINC000095573724 562769762 /nfs/dbraw/zinc/76/97/62/562769762.db2.gz HPHVUTVHDVFZLO-JOCHJYFZSA-N -1 0 582.000 5.874 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1cccc2cccnc21 ZINC000095574064 562769908 /nfs/dbraw/zinc/76/99/08/562769908.db2.gz DQMNGIYRZBSRCZ-XMHGGMMESA-N -1 0 612.730 7.440 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1 ZINC000095574862 562770109 /nfs/dbraw/zinc/77/01/09/562770109.db2.gz CCXJPCNMWZNEFC-NRFANRHFSA-N -1 0 590.551 8.385 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccncc3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095575856 562770501 /nfs/dbraw/zinc/77/05/01/562770501.db2.gz GKBVQRVYFSNXDQ-LSDHQDQOSA-N -1 0 576.697 6.677 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccoc3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095577937 562771093 /nfs/dbraw/zinc/77/10/93/562771093.db2.gz WVNOHJJUUVJAQM-DYTRJAOYSA-N -1 0 565.670 6.875 1 0 KKAFRM Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](C)C(=O)[O-])c(C)c3)c2)c(C)cc1Cl ZINC000095578186 562771150 /nfs/dbraw/zinc/77/11/50/562771150.db2.gz ANOBKCGPGHZZIZ-IBGZPJMESA-N -1 0 529.058 5.587 1 0 KKAFRM CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)cs1 ZINC000095580325 562771787 /nfs/dbraw/zinc/77/17/87/562771787.db2.gz FTVRPKBNQKLKQC-LFIBNONCSA-N -1 0 639.778 6.697 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1cocn1 ZINC000095580371 562771849 /nfs/dbraw/zinc/77/18/49/562771849.db2.gz FTMRAIANUMCKGY-XNTDXEJSSA-N -1 0 540.620 5.736 1 0 KKAFRM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095580697 562771929 /nfs/dbraw/zinc/77/19/29/562771929.db2.gz ZAGGUCLXSCVDCK-UHFFFAOYSA-N -1 0 531.900 5.400 1 0 KKAFRM CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)[N-]c3nccs3)cc2Cl)cc1 ZINC000095582546 562772572 /nfs/dbraw/zinc/77/25/72/562772572.db2.gz WXACTBKGQMBUPJ-UHFFFAOYSA-N -1 0 546.955 6.431 1 0 KKAFRM CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)[N-]c3ccc(F)cn3)cc2Cl)cc1 ZINC000095584625 562773312 /nfs/dbraw/zinc/77/33/12/562773312.db2.gz AXAIXMYUOZHQIO-UHFFFAOYSA-N -1 0 558.916 6.509 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095585385 562773554 /nfs/dbraw/zinc/77/35/54/562773554.db2.gz GGTDAPQKOFUQQJ-UHFFFAOYSA-N -1 0 518.901 5.938 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095585428 562773630 /nfs/dbraw/zinc/77/36/30/562773630.db2.gz UBXDBQFPMMALSJ-MQLYKLFISA-N -1 0 539.757 5.940 1 0 KKAFRM CC(C)c1nc(-c2ccc(F)c([N-]S(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1 ZINC000095586821 562774147 /nfs/dbraw/zinc/77/41/47/562774147.db2.gz DXROLIFHEXWTST-UHFFFAOYSA-N -1 0 611.693 5.065 1 0 KKAFRM [O-]c1c(Br)c(Br)cc(Br)c1Oc1cc(Br)cc(Br)c1O ZINC000095588119 562774567 /nfs/dbraw/zinc/77/45/67/562774567.db2.gz OBMWDTFRQJRRIM-UHFFFAOYSA-N -1 0 596.689 6.703 1 0 KKAFRM CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c(CO)[n+]1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000095588394 562774684 /nfs/dbraw/zinc/77/46/84/562774684.db2.gz HLIUYQNDJBYFHP-UHFFFAOYSA-O -1 0 575.685 6.438 1 0 KKAFRM CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c1 ZINC000095593271 562776202 /nfs/dbraw/zinc/77/62/02/562776202.db2.gz BUDPSVAPFSMBAY-ZVQQDINOSA-N -1 0 576.574 6.883 1 0 in-vitro KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(Cl)c5)n(-c5ccc(I)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000095595334 562776700 /nfs/dbraw/zinc/77/67/00/562776700.db2.gz HFYYBTMMCMICRJ-UHFFFAOYSA-N -1 0 757.029 6.595 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000095606083 562781893 /nfs/dbraw/zinc/78/18/93/562781893.db2.gz SYUQKZMACREGQJ-WCYCAPIHSA-N -1 0 792.191 6.376 1 0 KKAFRM 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)NCCc1cccc(N[C@H](C(=O)[O-])c2ccccc2)c1)C(C)C ZINC000095606509 562782103 /nfs/dbraw/zinc/78/21/03/562782103.db2.gz SPUIUCLSOFCTHA-YVFXFWEPSA-N -1 0 769.931 5.927 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000095612073 562785232 /nfs/dbraw/zinc/78/52/32/562785232.db2.gz VXYWGWSAYDWWAZ-OUZREKFBSA-N -1 0 751.252 6.684 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])OCc2ccccc2)cc1)C(=O)N[C@H]1CSc2ccccc2N(CCCC2CCCCC2)C1=O ZINC000095614478 562786656 /nfs/dbraw/zinc/78/66/56/562786656.db2.gz GYCWJRXLQZOBIM-LQJZCPKCSA-N -1 0 751.883 7.803 1 0 KKAFRM O=C([O-])CCc1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000095615208 562787168 /nfs/dbraw/zinc/78/71/68/562787168.db2.gz XQACXFKAHCRKRX-UHFFFAOYSA-N -1 0 824.248 8.935 1 0 KKAFRM CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000095615617 562787366 /nfs/dbraw/zinc/78/73/66/562787366.db2.gz QBOUWKLUZOCWBP-XOLAQOMNSA-N -1 0 746.858 5.289 1 0 KKAFRM CO[C@H]1O[C@H](Cn2cc(CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])nn2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000095615604 562787377 /nfs/dbraw/zinc/78/73/77/562787377.db2.gz QBOUWKLUZOCWBP-UHNHUSECSA-N -1 0 746.858 5.289 1 0 KKAFRM Cc1cc(O[C@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C2CCCC2)cc(C)c1-n1cnc(C(F)(F)F)c1 ZINC000096170527 562791147 /nfs/dbraw/zinc/79/11/47/562791147.db2.gz TWXKVKKUNFLGNW-SANMLTNESA-N -1 0 529.559 6.023 1 0 KKAFRM CC1(C)CC([C@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000096170494 562791150 /nfs/dbraw/zinc/79/11/50/562791150.db2.gz FNEBFXHBMCLZJO-HSZRJFAPSA-N -1 0 515.536 5.080 1 0 KKAFRM CCC[C@H](Oc1cc(C)c(-n2cnc(C(F)(F)F)c2)c(C)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096170538 562791153 /nfs/dbraw/zinc/79/11/53/562791153.db2.gz GZIUADRPSVKWDX-NRFANRHFSA-N -1 0 503.521 5.633 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(F)cc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171985 562791196 /nfs/dbraw/zinc/79/11/96/562791196.db2.gz KVUGDEBWBMTISD-BPBHNCSOSA-N -1 0 614.799 5.521 1 0 KKAFRM COC(=O)c1ccccc1NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000096171963 562791201 /nfs/dbraw/zinc/79/12/01/562791201.db2.gz FTZJFOWZNATCTI-BTOWEBLGSA-N -1 0 654.845 5.168 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OCC(C)(C)O3)c2ncnn21 ZINC000096178282 562792617 /nfs/dbraw/zinc/79/26/17/562792617.db2.gz LPACYSJRGFBDTE-UHFFFAOYSA-N -1 0 596.688 5.081 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CCCC2)cc1 ZINC000096269714 562793003 /nfs/dbraw/zinc/79/30/03/562793003.db2.gz GWULXZDUQGZXSI-DEOSSOPVSA-N -1 0 501.505 5.406 1 0 KKAFRM CCC[C@H](Nc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096269723 562793020 /nfs/dbraw/zinc/79/30/20/562793020.db2.gz ZMVDPNZXYJQAIH-QFIPXVFZSA-N -1 0 502.537 5.666 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(C[C@H]3C(=O)[O-])CCC4)cc2C2=CCCC2(C)C)c1 ZINC000096270321 562793182 /nfs/dbraw/zinc/79/31/82/562793182.db2.gz OEVMIBBXCVRTQT-NHZFLZHXSA-N -1 0 526.648 7.962 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(C[C@@H]3C(=O)[O-])CC4)cc2C2=CCCC2(C)C)c1 ZINC000096270307 562793204 /nfs/dbraw/zinc/79/32/04/562793204.db2.gz JATIUJDLIVNBMA-CPBHLAHYSA-N -1 0 512.621 7.572 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2F)=NO1 ZINC000096271101 562793700 /nfs/dbraw/zinc/79/37/00/562793700.db2.gz KJGIGJJWYWBTFI-KDYSTLNUSA-N -1 0 558.393 5.080 1 0 KKAFRM CCN(CC)c1ncc(N(CC)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273526 562794535 /nfs/dbraw/zinc/79/45/35/562794535.db2.gz 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ZINC000096283812 562794992 /nfs/dbraw/zinc/79/49/92/562794992.db2.gz XEYPUMDHGXHSIM-QHCPKHFHSA-N -1 0 517.944 5.530 1 0 KKAFRM C[C@H](C[N-]S(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283842 562795011 /nfs/dbraw/zinc/79/50/11/562795011.db2.gz IEXDCWRFIVVYQY-OSPHWJPCSA-N -1 0 505.537 5.414 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000096284671 562795244 /nfs/dbraw/zinc/79/52/44/562795244.db2.gz UJENUFKLKJDPMY-UHFFFAOYSA-N -1 0 710.771 7.769 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccc(N)c2)cc1 ZINC000096284666 562795253 /nfs/dbraw/zinc/79/52/53/562795253.db2.gz MUMLJVPHMFYZGU-UHFFFAOYSA-N -1 0 641.790 6.453 1 0 KKAFRM CC(C)=CCC[C@]1(C(=O)[O-])C[C@@]12[C@@H](OC(C)=O)C[C@@]1(C)[C@@H]2C[C@@H](O)[C@H]2[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@H]3CC[C@@]21C ZINC000096898933 562796752 /nfs/dbraw/zinc/79/67/52/562796752.db2.gz JLYJGBJQXWQKEA-IQNOMWMSSA-N -1 0 530.746 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0 557.493 5.618 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(COc2ccc3c(c2)CCCC3)cc1)c1ccccc1Cl ZINC000118911364 562830802 /nfs/dbraw/zinc/83/08/02/562830802.db2.gz UTTZATRZTXNAFP-UHFFFAOYSA-N -1 0 506.027 6.056 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000136311090 562831122 /nfs/dbraw/zinc/83/11/22/562831122.db2.gz QPRREELAPZFVLQ-WDOJQBHRSA-N -1 0 512.005 6.411 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1)c1ccccc1Cl ZINC000137244589 562831406 /nfs/dbraw/zinc/83/14/06/562831406.db2.gz ZZEJVEXVDOBXSA-UHFFFAOYSA-N -1 0 542.064 6.200 1 0 KKAFRM CC(C)Oc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000138348200 562831854 /nfs/dbraw/zinc/83/18/54/562831854.db2.gz RBMNFWQGPQMBSU-SAPNQHFASA-N -1 0 620.750 7.074 1 0 KKAFRM CCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1cccc2c1ccn2-c1ccccc1C(=O)[O-] ZINC000139483114 562832515 /nfs/dbraw/zinc/83/25/15/562832515.db2.gz AGNUDKFVVNNVHT-UHFFFAOYSA-N -1 0 539.639 7.151 1 0 KKAFRM COc1cc(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000140442521 562833076 /nfs/dbraw/zinc/83/30/76/562833076.db2.gz NZECYZFXTKPOEI-LSYYVWMOSA-N -1 0 517.641 7.737 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C4CC4)c3)cc2[C@@H]2CCCC2(C)C)c1 ZINC000140909452 562833383 /nfs/dbraw/zinc/83/33/83/562833383.db2.gz NMINURRSCCQGKI-FIBWVYCGSA-N -1 0 516.653 8.342 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)c(Cl)c2Cl)C1 ZINC000141743706 562833779 /nfs/dbraw/zinc/83/37/79/562833779.db2.gz CYHYOQQJILLXPV-HLAWJBBLSA-N -1 0 590.573 5.678 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCCc4c(C(=O)[O-])cccc43)s2)c1 ZINC000141845456 562833816 /nfs/dbraw/zinc/83/38/16/562833816.db2.gz RWYMEAPOCNGJHR-SANMLTNESA-N -1 0 540.567 6.331 1 0 KKAFRM Cc1cc(Nc2cc(-n3cccn3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142149832 562833955 /nfs/dbraw/zinc/83/39/55/562833955.db2.gz 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/nfs/dbraw/zinc/83/93/44/562839344.db2.gz MVOYXQLNULAYDH-UHFFFAOYSA-N -1 0 537.564 5.177 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2ccc(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000147999679 562839825 /nfs/dbraw/zinc/83/98/25/562839825.db2.gz NJLHVXLNLCHNDF-UHFFFAOYSA-N -1 0 554.861 7.192 1 0 KKAFRM Cc1cc(Cl)ccc1-c1ccc(NCc2c(Cl)cc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)[O-])nc2)cc1 ZINC000148101973 562840213 /nfs/dbraw/zinc/84/02/13/562840213.db2.gz OUHVBZQQNWUOOU-UHFFFAOYSA-N -1 0 602.440 7.866 1 0 KKAFRM Cc1cc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)[O-])nc3)cc2Cl)ccc1F ZINC000148200525 562840513 /nfs/dbraw/zinc/84/05/13/562840513.db2.gz WYHOBKFWDAUXHQ-UHFFFAOYSA-N -1 0 552.433 6.987 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3F)cc2)cn1 ZINC000148488467 562841400 /nfs/dbraw/zinc/84/14/00/562841400.db2.gz ITJWNRQNQHGQQQ-UHFFFAOYSA-N -1 0 571.958 7.044 1 0 KKAFRM COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2n(C)c1=O ZINC000150543549 562844297 /nfs/dbraw/zinc/84/42/97/562844297.db2.gz SYNQPUZQUDQYAQ-PMERELPUSA-N -1 0 637.530 7.076 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150596369 562846709 /nfs/dbraw/zinc/84/67/09/562846709.db2.gz JIYKCVSXTLBSKB-OETNSKAQSA-N -1 0 660.936 9.698 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc(-c3cccnc3)c2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597075 562846756 /nfs/dbraw/zinc/84/67/56/562846756.db2.gz NGUZLNJUSGGNNO-UHFFFAOYSA-N -1 0 796.228 6.246 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2cccc(-c3cccnc3)c2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597064 562846763 /nfs/dbraw/zinc/84/67/63/562846763.db2.gz ALAHZYZPFZASAY-UHFFFAOYSA-N -1 0 782.201 6.322 1 0 KKAFRM C=Cc1cc([C@@H](NC(C)=O)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599577 562847036 /nfs/dbraw/zinc/84/70/36/562847036.db2.gz WUDMJYAXIHUHMG-MGBGTMOVSA-N -1 0 745.736 6.541 1 0 KKAFRM O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc([N-]S(=O)(=O)C2CC2)c(OCC2CC2)c1 ZINC000150603087 562847406 /nfs/dbraw/zinc/84/74/06/562847406.db2.gz LAQFTZISVWQAKB-NDEPHWFRSA-N -1 0 713.583 6.851 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](CCc1cccc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1)C(C)C ZINC000150605926 562847797 /nfs/dbraw/zinc/84/77/97/562847797.db2.gz GNXREDRLRLNODC-IQNMNFCZSA-N -1 0 662.916 5.569 1 0 KKAFRM CCOc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000150663319 562849001 /nfs/dbraw/zinc/84/90/01/562849001.db2.gz ZSHRKDDXJFWEOD-UHFFFAOYSA-N -1 0 648.836 6.619 3 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165389780 562850159 /nfs/dbraw/zinc/85/01/59/562850159.db2.gz XKEROFYDQBTACD-VEOJMJHISA-N -1 0 769.887 5.111 1 0 KKAFRM CC[N@H+]1C[C@@]23COC[C@@]2(CN(C(=O)[C@]24C[C@H]2c2cc(OC)ccc2-c2c(C5CCCCC5)c5ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc5n2C4)C3)C1 ZINC000165388557 562850166 /nfs/dbraw/zinc/85/01/66/562850166.db2.gz PMMFUDHSUGPJEB-BRXSWJRSSA-N -1 0 714.929 5.501 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165416129 562850241 /nfs/dbraw/zinc/85/02/41/562850241.db2.gz UZVIXQARWLJALD-YEIYNIIASA-N -1 0 767.993 6.460 1 0 KKAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@H](C(=O)[O-])C5)c[nH]4)c3)cc2)c1 ZINC000169147004 562851653 /nfs/dbraw/zinc/85/16/53/562851653.db2.gz HOGCJPPMBAIRFC-SFHVURJKSA-N -1 0 543.555 5.507 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000169240400 562851666 /nfs/dbraw/zinc/85/16/66/562851666.db2.gz QJINHOLALXGEQU-AREMUKBSSA-N -1 0 543.982 5.799 1 0 KKAFRM CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)[nH]1 ZINC000169230971 562851671 /nfs/dbraw/zinc/85/16/71/562851671.db2.gz RNZNNJPRWLAARQ-UHFFFAOYSA-N -1 0 518.977 5.146 1 0 KKAFRM O=c1oc2ccccc2c([O-])c1[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000169301580 562852940 /nfs/dbraw/zinc/85/29/40/562852940.db2.gz QUNMLCCVZLKSGL-GTNKKZTPSA-N -1 0 527.414 6.742 1 0 KKAFRM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)c3ccccc3n2)cc1C ZINC000169303451 562853206 /nfs/dbraw/zinc/85/32/06/562853206.db2.gz NTSHKEUKDNAYPV-UHFFFAOYSA-N -1 0 508.603 5.967 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2cc(C(=O)[O-])ccn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309635 562854382 /nfs/dbraw/zinc/85/43/82/562854382.db2.gz GEDLWRDUBQVNGB-JCUDBWTNSA-N -1 0 657.660 7.385 1 0 KKAFRM Cc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)C2=O)c1 ZINC000169310594 562854841 /nfs/dbraw/zinc/85/48/41/562854841.db2.gz ULGSZNGTYNJRLT-AGRBXUFGSA-N -1 0 517.670 5.525 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cccc(C3CC3)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169310590 562854853 /nfs/dbraw/zinc/85/48/53/562854853.db2.gz DSJZCCXIYRELAE-PPKJCWTGSA-N -1 0 543.708 6.094 1 0 KKAFRM CC(C)(C)OC(=O)COc1cc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)ccc1CCC(=O)[O-] ZINC000169329533 562858541 /nfs/dbraw/zinc/85/85/41/562858541.db2.gz RMBIAOVMNKCKFX-UHFFFAOYSA-N -1 0 615.605 6.268 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(CCC(=O)NCCc3ccccc3)c2)cc1 ZINC000169329516 562858542 /nfs/dbraw/zinc/85/85/42/562858542.db2.gz WYQUIFJPJGRGPB-UHFFFAOYSA-N -1 0 622.722 5.884 1 0 KKAFRM O=C([O-])COc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1CCC(=O)OCc1ccccc1 ZINC000169329507 562858546 /nfs/dbraw/zinc/85/85/46/562858546.db2.gz AGAYLVCDMDLZPH-UHFFFAOYSA-N -1 0 649.622 6.670 1 0 KKAFRM C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@@H](C)N1CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000169337476 562860052 /nfs/dbraw/zinc/86/00/52/562860052.db2.gz HGCCTGBLJZCTHL-RTBURBONSA-N -1 0 672.685 5.352 1 0 KKAFRM Cc1ccc(-c2cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4nccs4)c3)c3ccccc3n2)cc1C ZINC000169340665 562860642 /nfs/dbraw/zinc/86/06/42/562860642.db2.gz KXJLWSOMJZHKSV-UHFFFAOYSA-N -1 0 514.632 6.028 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000169341486 562860834 /nfs/dbraw/zinc/86/08/34/562860834.db2.gz LWONZLCXDLRXFE-UHFFFAOYSA-N -1 0 507.622 5.176 1 0 KKAFRM CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OCC)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc21 ZINC000169341858 562860896 /nfs/dbraw/zinc/86/08/96/562860896.db2.gz XFIBKOZAOJTDTB-UHFFFAOYSA-N -1 0 592.575 5.009 1 0 KKAFRM CCn1c(CCCc2ccc(OC(C)(C)C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343867 562861286 /nfs/dbraw/zinc/86/12/86/562861286.db2.gz QJWGJOJFVSEYRF-UHFFFAOYSA-N -1 0 686.797 6.267 1 0 KKAFRM CSCC[C@@H](NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nc6ccccc6nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000169351969 562863060 /nfs/dbraw/zinc/86/30/60/562863060.db2.gz AZRGBLVPTIEOEH-WCRRSCDGSA-N -1 0 671.992 8.624 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(OC[C@H]2COc3ccccc3O2)cc1-c1cncc2ccccc21)C(=O)[O-] ZINC000169352677 562863157 /nfs/dbraw/zinc/86/31/57/562863157.db2.gz IBOMBSQQQSKKGN-LVXARBLLSA-N -1 0 544.629 5.057 1 0 KKAFRM COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C(=O)[O-])C3CCCCC3)nn2-c2ccnc3cc(Cl)ccc32)c1 ZINC000169352851 562863278 /nfs/dbraw/zinc/86/32/78/562863278.db2.gz YAYKNLYVGGFSNU-MHZLTWQESA-N -1 0 549.027 5.521 1 0 KKAFRM O=C([N-]C1(C(=O)N[C@H]2CCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000169697118 562866393 /nfs/dbraw/zinc/86/63/93/562866393.db2.gz CHXHGDPPQTWZQN-KRWDZBQOSA-N -1 0 537.312 5.619 1 0 KKAFRM Cc1c(Br)c(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1Br ZINC000169704392 562868936 /nfs/dbraw/zinc/86/89/36/562868936.db2.gz VVDRPILAKHDJRT-RUZDIDTESA-N -1 0 684.332 7.466 1 0 KKAFRM CC(C)c1ccnc(-c2nc3cc(C(=O)[O-])nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169708085 562870190 /nfs/dbraw/zinc/87/01/90/562870190.db2.gz UIJGFRZUSRWMSS-QGZVFWFLSA-N -1 0 537.586 6.983 1 0 KKAFRM C[C@@H]1CCC[C@H](N2CC[C@H](c3c(F)ccc(Cl)c3F)OC2=O)c2cc(ccn2)-c2cc(C(=O)[O-])ccc2NC1=O ZINC000169710301 562870609 /nfs/dbraw/zinc/87/06/09/562870609.db2.gz PAWKAWDJVQSALO-ZNZBMKLDSA-N -1 0 569.992 6.762 1 0 KKAFRM COc1cccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c1 ZINC000198495040 562872735 /nfs/dbraw/zinc/87/27/35/562872735.db2.gz MPPDOPAMVCVSQN-UHFFFAOYSA-N -1 0 518.613 6.610 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(c1)c(C)cn2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000198620251 562872836 /nfs/dbraw/zinc/87/28/36/562872836.db2.gz VOILEHDTPYEZAQ-SSEXGKCCSA-N -1 0 502.614 7.244 1 0 KKAFRM Cc1c(C)n(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12 ZINC000198923415 562872863 /nfs/dbraw/zinc/87/28/63/562872863.db2.gz PXZRJMBINJHXGS-QFIPXVFZSA-N -1 0 508.662 7.037 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc12 ZINC000199475865 562872984 /nfs/dbraw/zinc/87/29/84/562872984.db2.gz IFDHNULLKPECDJ-FQEVSTJZSA-N -1 0 571.504 8.469 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1cccc(C(C)C)c1 ZINC000199633460 562872988 /nfs/dbraw/zinc/87/29/88/562872988.db2.gz QEJLMMNKULRCIG-UMSFTDKQSA-N -1 0 558.722 8.676 1 0 KKAFRM CN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202311451 562873635 /nfs/dbraw/zinc/87/36/35/562873635.db2.gz XUGNBLRFDYSRMX-MUUNZHRXSA-N -1 0 540.019 6.002 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cccc(OCc3ccc(Cl)cc3)c2n1 ZINC000202313823 562873651 /nfs/dbraw/zinc/87/36/51/562873651.db2.gz UXIGRFNDZSFJRK-SANMLTNESA-N -1 0 556.018 5.571 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C1=Cc2ccc(-c3ccc(Cl)cc3)cc2SC1 ZINC000202314602 562873657 /nfs/dbraw/zinc/87/36/57/562873657.db2.gz RKVRVXSDGCEHBF-GDLZYMKVSA-N -1 0 556.083 6.887 1 0 KKAFRM O=C([O-])[C@@]1(NC(=O)Cc2ccc(OCc3ccccc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202314972 562873663 /nfs/dbraw/zinc/87/36/63/562873663.db2.gz JRPNXMGTTZYZLJ-WJOKGBTCSA-N -1 0 512.005 5.867 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2o1 ZINC000202317336 562873675 /nfs/dbraw/zinc/87/36/75/562873675.db2.gz HVHYJFBRDNHFRQ-MHZLTWQESA-N -1 0 525.988 6.758 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000202321140 562873697 /nfs/dbraw/zinc/87/36/97/562873697.db2.gz QPRREELAPZFVLQ-WXAVUBFQSA-N -1 0 512.005 6.411 1 0 KKAFRM CCc1ccc(COc2ccc(C[C@@H](NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)[O-])cc2)cc1 ZINC000202321413 562873706 /nfs/dbraw/zinc/87/37/06/562873706.db2.gz CCPSTOJWBYICMD-MUUNZHRXSA-N -1 0 554.046 6.222 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(OC(F)(F)F)c(F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203662891 562874041 /nfs/dbraw/zinc/87/40/41/562874041.db2.gz VHGDIDGTJQMZOX-UHFFFAOYSA-N -1 0 534.487 5.675 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2Cl)cc1 ZINC000203665557 562874060 /nfs/dbraw/zinc/87/40/60/562874060.db2.gz GMWTTYHRMXYYDL-UHFFFAOYSA-N -1 0 536.915 5.881 1 0 KKAFRM CN1CCN(C(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)CC1 ZINC000204936333 562874624 /nfs/dbraw/zinc/87/46/24/562874624.db2.gz UDDMQDFTSIHDMQ-UHFFFAOYSA-N -1 0 552.483 6.537 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000205045391 562874882 /nfs/dbraw/zinc/87/48/82/562874882.db2.gz SVEGOQPIJKWELG-UHFFFAOYSA-N -1 0 582.509 6.211 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)N[C@@H]2CCOC2)cc1 ZINC000205053416 562874904 /nfs/dbraw/zinc/87/49/04/562874904.db2.gz SGRWUSIHMIWBGQ-LJQANCHMSA-N -1 0 539.440 6.668 1 0 KKAFRM COc1ccc(CNC(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)cc1 ZINC000205061807 562874925 /nfs/dbraw/zinc/87/49/25/562874925.db2.gz VEMYLYOTAXAPGS-UHFFFAOYSA-N -1 0 589.500 8.088 1 0 KKAFRM Cn1cc(-c2ccc(Br)cc2C(F)(F)F)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205420535 562875297 /nfs/dbraw/zinc/87/52/97/562875297.db2.gz VYZUCTQKKZZUIO-UHFFFAOYSA-N -1 0 517.352 5.279 1 0 KKAFRM Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]c4cscn4)cc3F)cc12 ZINC000205508052 562875516 /nfs/dbraw/zinc/87/55/16/562875516.db2.gz YMAOYJAKAGLHIJ-UHFFFAOYSA-N -1 0 534.953 6.058 1 0 KKAFRM Cc1nsc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl ZINC000205564135 562875585 /nfs/dbraw/zinc/87/55/85/562875585.db2.gz LYLQNXKKVGIUPB-QGZVFWFLSA-N -1 0 507.011 7.376 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000205720082 562875788 /nfs/dbraw/zinc/87/57/88/562875788.db2.gz WESDUNUZRXVCQO-UHFFFAOYSA-N -1 0 549.954 6.795 1 0 KKAFRM COc1ccc(CNS(=O)(=O)c2ccc(-c3c(C)c(CC(=O)[O-])cc4ccc(Cl)cc43)cc2)cc1 ZINC000205726689 562875822 /nfs/dbraw/zinc/87/58/22/562875822.db2.gz UFRBTMKNNZCDBJ-UHFFFAOYSA-N -1 0 510.011 5.583 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000205724058 562875848 /nfs/dbraw/zinc/87/58/48/562875848.db2.gz FARFDTBTCFKSLD-UHFFFAOYSA-N -1 0 534.939 6.827 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000205739948 562875867 /nfs/dbraw/zinc/87/58/67/562875867.db2.gz YLDPBRAZGDKZAM-UHFFFAOYSA-N -1 0 502.485 6.433 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc12 ZINC000205980441 562876058 /nfs/dbraw/zinc/87/60/58/562876058.db2.gz ZUZJRWGVIKMNSG-UHFFFAOYSA-N -1 0 567.667 5.249 1 0 KKAFRM COc1cc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc(OC)c1 ZINC000205983362 562876059 /nfs/dbraw/zinc/87/60/59/562876059.db2.gz IWGCDQSAKCLDGI-UHFFFAOYSA-N -1 0 548.639 6.619 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc12 ZINC000205990359 562876112 /nfs/dbraw/zinc/87/61/12/562876112.db2.gz CFDHTBAARCMHPE-AREMUKBSSA-N -1 0 546.623 6.241 1 0 KKAFRM Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)[O-])c(Cl)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206005025 562876135 /nfs/dbraw/zinc/87/61/35/562876135.db2.gz KQARDPIBJFLQCD-FPOVZHCZSA-N -1 0 545.079 7.180 1 0 KKAFRM Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)[O-])ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000206006680 562876160 /nfs/dbraw/zinc/87/61/60/562876160.db2.gz RBPPDBMDXPPKBU-UNMCSNQZSA-N -1 0 547.095 7.426 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(C)C)cc12 ZINC000206012754 562876172 /nfs/dbraw/zinc/87/61/72/562876172.db2.gz GUONGSVVVOLRQE-DEOSSOPVSA-N -1 0 560.694 7.950 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2Br)c1 ZINC000206137390 562876326 /nfs/dbraw/zinc/87/63/26/562876326.db2.gz ALNIHGVACDPBGX-UHFFFAOYSA-N -1 0 515.336 5.335 1 0 KKAFRM COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@H](C)[C@H]4CC(=O)[O-])cc3)c(C)c2)c1 ZINC000210009185 562877009 /nfs/dbraw/zinc/87/70/09/562877009.db2.gz BICVZUYPVRKWQB-JPZYQRIQSA-N -1 0 522.620 7.104 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)nc1 ZINC000212372823 562877177 /nfs/dbraw/zinc/87/71/77/562877177.db2.gz HFHYJUFFDJGTLK-IHLOFXLRSA-N -1 0 599.653 8.411 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F ZINC000214010908 562877265 /nfs/dbraw/zinc/87/72/65/562877265.db2.gz HWKHQFOBYHSYCX-JSOSNVBQSA-N -1 0 653.676 9.395 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cncnc2)cc1 ZINC000217371074 562877545 /nfs/dbraw/zinc/87/75/45/562877545.db2.gz ARTCVUDJLYSZHH-KYJUHHDHSA-N -1 0 569.665 7.027 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4c(F)cc(-c5ccc(C(F)(F)F)cc5)cc4F)c3c2)nc1 ZINC000218152074 562877856 /nfs/dbraw/zinc/87/78/56/562877856.db2.gz LJMRBUSDPLWOEB-RRPNLBNLSA-N -1 0 635.633 8.689 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4CCCC[C@H]4C(=O)[O-])n3Cc3ccc(Br)cc3)c(Cl)c2)nc1 ZINC000218311011 562877874 /nfs/dbraw/zinc/87/78/74/562877874.db2.gz YUDZXBAUSZSJCS-DHIUTWEWSA-N -1 0 568.899 7.141 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000219363689 562878129 /nfs/dbraw/zinc/87/81/29/562878129.db2.gz FEZLCQHWEGXBRU-UHFFFAOYSA-N -1 0 549.549 6.764 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000219380344 562878167 /nfs/dbraw/zinc/87/81/67/562878167.db2.gz YCKRYZSZZLLPOZ-IZZNHLLZSA-N -1 0 642.703 8.713 1 0 KKAFRM CC1(C)CC[C@](Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)(C(=O)[O-])C1 ZINC000219432459 562878201 /nfs/dbraw/zinc/87/82/01/562878201.db2.gz OMEJGHUEWHSOIY-MGBGTMOVSA-N -1 0 598.541 7.798 1 0 KKAFRM O=C([O-])[C@@]1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Br)cc2)CCc2ccccc21 ZINC000219448559 562878229 /nfs/dbraw/zinc/87/82/29/562878229.db2.gz OPHHFWMKWXNYPM-PGUFJCEWSA-N -1 0 618.531 7.486 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F ZINC000219477698 562878253 /nfs/dbraw/zinc/87/82/53/562878253.db2.gz HHTSKRULZHVWQT-LOSJGSFVSA-N -1 0 593.577 7.608 1 0 KKAFRM CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(Cl)cc2)[C@H](COc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2F)C1 ZINC000220552108 562878563 /nfs/dbraw/zinc/87/85/63/562878563.db2.gz PMYALALOZZAFQF-WMZOPIPTSA-N -1 0 601.097 5.690 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)c(F)c3)cc2F)[C@@H]1C(=O)[O-] ZINC000220524775 562878576 /nfs/dbraw/zinc/87/85/76/562878576.db2.gz ICZAKIKYQRFGCN-JHOUSYSJSA-N -1 0 607.632 8.120 1 0 KKAFRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(F)cc2)cc1F ZINC000220524843 562878584 /nfs/dbraw/zinc/87/85/84/562878584.db2.gz BTSLLEFQHRTKFZ-CZNDPXEESA-N -1 0 589.642 7.981 1 0 KKAFRM CS(=O)(=O)Nc1ccc(-c2cccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@@H]3CCCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000220525445 562878594 /nfs/dbraw/zinc/87/85/94/562878594.db2.gz QCVADDPVWVPATF-SAIUNTKASA-N -1 0 660.796 7.609 1 0 KKAFRM CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1OCC=C[C@@H]1O[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000220956537 562878709 /nfs/dbraw/zinc/87/87/09/562878709.db2.gz NHDNXYONIBCYOG-AUMIFUJISA-N -1 0 561.653 5.436 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccc(I)cc2)c1 ZINC000221042796 562878729 /nfs/dbraw/zinc/87/87/29/562878729.db2.gz JFCZHRWWBDFGIH-UHFFFAOYSA-N -1 0 681.224 5.036 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000221568023 562879031 /nfs/dbraw/zinc/87/90/31/562879031.db2.gz RISBHTOVLROQFG-FCHUYYIVSA-N -1 0 523.431 5.518 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(Br)cc3)c(Cl)c2)nc1 ZINC000221568959 562879037 /nfs/dbraw/zinc/87/90/37/562879037.db2.gz YUDZXBAUSZSJCS-PKTZIBPZSA-N -1 0 568.899 7.141 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOc4cc(=O)c5c(O)cc(-c6ccccc6)oc-5c4)[C@H](C)C3)c(F)c21 ZINC000221696967 562879106 /nfs/dbraw/zinc/87/91/06/562879106.db2.gz NIDLBWNBDFTSSL-LJQANCHMSA-N -1 0 631.632 5.066 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2cn(C)c3ccccc23)cc(C)c1Cl ZINC000222701678 562879904 /nfs/dbraw/zinc/87/99/04/562879904.db2.gz GUKNVQSEBBJHKI-UHFFFAOYSA-N -1 0 621.159 5.431 1 0 KKAFRM CC(C)C[C@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)C1 ZINC000224433705 562880442 /nfs/dbraw/zinc/88/04/42/562880442.db2.gz WCDFXVWDGHHCSI-WJOKGBTCSA-N -1 0 550.627 6.787 1 0 in-vitro KKAFRM Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225036777 562880676 /nfs/dbraw/zinc/88/06/76/562880676.db2.gz WXBAOBKKUFOHLR-UHFFFAOYSA-N -1 0 509.513 5.517 1 0 KKAFRM Cc1cnc(OCCOc2ccccc2)c(-c2nccc3cc(S(=O)(=O)[N-]c4nccs4)ccc32)c1 ZINC000225059845 562880691 /nfs/dbraw/zinc/88/06/91/562880691.db2.gz RYVNVEZHZVNSTM-UHFFFAOYSA-N -1 0 518.620 5.320 1 0 KKAFRM COc1cc(-c2cc(F)ccc2F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225112000 562880711 /nfs/dbraw/zinc/88/07/11/562880711.db2.gz OUCUPBQBDDESQW-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM COc1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225102803 562880741 /nfs/dbraw/zinc/88/07/41/562880741.db2.gz OUQPGTNBHJXTTR-UHFFFAOYSA-N -1 0 536.535 6.187 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000225113079 562880763 /nfs/dbraw/zinc/88/07/63/562880763.db2.gz BZVMLHXPEHBRBB-UHFFFAOYSA-N -1 0 527.990 5.417 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2F)n1 ZINC000226011223 562880829 /nfs/dbraw/zinc/88/08/29/562880829.db2.gz HKLZAEPAGLWRAL-MOPGFXCFSA-N -1 0 564.511 5.932 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c4cc(OCc5ccc(C)cn5)ccc4nc3[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)cn1 ZINC000226036299 562880868 /nfs/dbraw/zinc/88/08/68/562880868.db2.gz XSUOFGQRYDUFLV-VSGBNLITSA-N -1 0 563.658 6.191 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)nc1 ZINC000226028543 562880874 /nfs/dbraw/zinc/88/08/74/562880874.db2.gz VQPDCPFMSUZBHS-GOTSBHOMSA-N -1 0 557.544 6.763 1 0 KKAFRM Cn1ccc(COc2cc3c(nc([C@H]4CCCC[C@H]4C(=O)[O-])n3Cc3ccc(OC(F)(F)F)cc3F)c(F)c2)n1 ZINC000226037202 562880881 /nfs/dbraw/zinc/88/08/81/562880881.db2.gz NVTUIZOPHUDFDJ-VQTJNVASSA-N -1 0 564.511 5.932 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(C(F)(F)F)nc3)cc2)CCCC1 ZINC000226095507 562880950 /nfs/dbraw/zinc/88/09/50/562880950.db2.gz ARETZXICCILTLH-UHFFFAOYSA-N -1 0 636.674 8.480 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000226101804 562880968 /nfs/dbraw/zinc/88/09/68/562880968.db2.gz YAQYRAXGZWXOOD-UHFFFAOYSA-N -1 0 634.758 6.904 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3cscn3)cc2)[C@@H]1C(=O)[O-] ZINC000226113084 562881017 /nfs/dbraw/zinc/88/10/17/562881017.db2.gz KTWVEOCUOXDPHA-XZWHSSHBSA-N -1 0 560.679 7.160 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CC(C)(C)CC(C)(C)C2)cc1 ZINC000299825137 562883495 /nfs/dbraw/zinc/88/34/95/562883495.db2.gz CTTGJGHAKDHCCV-GDLZYMKVSA-N -1 0 570.774 7.154 1 0 KKAFRM CC(C)(C)[C@@H](CS(=O)(=O)N1CCS(=O)(=O)CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299826439 562883862 /nfs/dbraw/zinc/88/38/62/562883862.db2.gz HJZHRQQVQYCWOF-QNYAKKFESA-N -1 0 673.681 5.007 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6F)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299827443 562884129 /nfs/dbraw/zinc/88/41/29/562884129.db2.gz JKUKPXMRRKZXAR-KVDGGHBMSA-N -1 0 676.910 9.725 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)CCC(=O)Nc2cccc(-c3ccccc3)c2)c1 ZINC000299827482 562884147 /nfs/dbraw/zinc/88/41/47/562884147.db2.gz JZRQMDJKWMTILK-UHFFFAOYSA-N -1 0 659.480 6.878 1 0 KKAFRM COc1ccc2[nH]c3c(c2c1)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]12C)C3(C)C ZINC000299827892 562884271 /nfs/dbraw/zinc/88/42/71/562884271.db2.gz OUCNYTOOFLFGFS-MRSCDUKVSA-N -1 0 557.819 8.932 1 0 KKAFRM CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS(=O)(=O)[O-])ccc4n3C(=O)OC(C)(C)C)cc21 ZINC000299827971 562884307 /nfs/dbraw/zinc/88/43/07/562884307.db2.gz PKMXZQSEZBIGGZ-UHFFFAOYSA-N -1 0 616.645 5.328 1 0 KKAFRM CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)[O-])Cc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ccc2O1 ZINC000299829841 562885017 /nfs/dbraw/zinc/88/50/17/562885017.db2.gz SJMLZXITFYDBMT-UHFFFAOYSA-N -1 0 550.555 5.272 1 0 KKAFRM CC[C@@H](Oc1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)cc1)C(=O)[O-] ZINC000299831053 562885432 /nfs/dbraw/zinc/88/54/32/562885432.db2.gz IUFFNKJGFZJHKG-HHHXNRCGSA-N -1 0 526.651 5.605 1 0 KKAFRM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000299831415 562885564 /nfs/dbraw/zinc/88/55/64/562885564.db2.gz BRNKHWSYACFKQC-OXJNMPFZSA-N -1 0 555.638 6.261 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CCCCCCCC2)cc1 ZINC000299832164 562885780 /nfs/dbraw/zinc/88/57/80/562885780.db2.gz LEXLSPDBTSINAM-SSEXGKCCSA-N -1 0 556.747 7.052 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2CCCCCC2)cc1 ZINC000299832996 562886092 /nfs/dbraw/zinc/88/60/92/562886092.db2.gz MYAQZDUYOUGKCB-MUUNZHRXSA-N -1 0 528.693 6.272 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc(F)cc3)C=C(c3ccccc3)N=4)o2)c1 ZINC000299834416 562886419 /nfs/dbraw/zinc/88/64/19/562886419.db2.gz JAFVLZFGBZDIEY-SDEVNZIBSA-N -1 0 522.557 5.100 1 0 KKAFRM C/C=C/C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000299834548 562886474 /nfs/dbraw/zinc/88/64/74/562886474.db2.gz JSDVRHDPEXRPCZ-BOWJKBJHSA-N -1 0 524.786 8.361 1 0 KKAFRM COc1ccc(-c2c(/C=C/C(=O)N3CCN(c4ccccc4OC)CC3)noc2-c2cc(Cl)c([O-])cc2O)cc1 ZINC000299838978 562888057 /nfs/dbraw/zinc/88/80/57/562888057.db2.gz RQHOVOFQMVYWSJ-VAWYXSNFSA-N -1 0 562.022 5.452 1 0 KKAFRM CN(CC(=O)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000299841053 562888758 /nfs/dbraw/zinc/88/87/58/562888758.db2.gz XPHWHQZYZAEFDS-UHFFFAOYSA-N -1 0 656.670 6.235 1 0 KKAFRM CCc1cc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)ccc1OCC(=O)[O-] ZINC000299841295 562888858 /nfs/dbraw/zinc/88/88/58/562888858.db2.gz ZAONPWPBOODWMS-UHFFFAOYSA-N -1 0 526.651 5.389 1 0 KKAFRM CCCN(C)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000299842993 562888947 /nfs/dbraw/zinc/88/89/47/562888947.db2.gz RCRKUTFIUCSOQL-QNOHRKODSA-N -1 0 810.938 5.296 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N5CCCC5)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299843835 562889061 /nfs/dbraw/zinc/88/90/61/562889061.db2.gz OFFBKACOAWRZCJ-HPUSGAEMSA-N -1 0 808.922 5.050 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C2=O ZINC000299844205 562889198 /nfs/dbraw/zinc/88/91/98/562889198.db2.gz GCEUDIONNAAMRI-WAGZQRBJSA-N -1 0 801.977 6.233 1 0 KKAFRM CCOC(=O)c1ccccc1NC(=O)CC[C@@H](NC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-] ZINC000299847675 562890024 /nfs/dbraw/zinc/89/00/24/562890024.db2.gz BDMOWEOVVCSLOV-JSSGVTJMSA-N -1 0 668.872 5.558 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848668 562890309 /nfs/dbraw/zinc/89/03/09/562890309.db2.gz VBXNSOKXYNYHDV-MRLXTBFYSA-N -1 0 711.941 6.729 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccc(O)cc5)n(-c5ccccc5)c4=S)CC3)c(F)cc2c1=O ZINC000299858797 562892547 /nfs/dbraw/zinc/89/25/47/562892547.db2.gz GYUGUUOHFHFQJI-UHFFFAOYSA-N -1 0 612.687 5.043 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(Cc5ccc(F)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299862201 562893515 /nfs/dbraw/zinc/89/35/15/562893515.db2.gz MQGSDNXTXPAFQN-UHFFFAOYSA-N -1 0 644.704 5.241 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299862215 562893528 /nfs/dbraw/zinc/89/35/28/562893528.db2.gz JJMHFQWVVTUNJX-XNTDXEJSSA-N -1 0 628.129 6.344 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299863349 562893795 /nfs/dbraw/zinc/89/37/95/562893795.db2.gz LALMZWJDHODTNV-SDNWHVSQSA-N -1 0 643.144 6.129 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)c(C)c(-c2ccc(F)cn2)n3C2CCCCC2)cnc1/C=C/C(=O)[O-] ZINC000299865529 562894419 /nfs/dbraw/zinc/89/44/19/562894419.db2.gz UESCXTFSNSVFJE-FYWRMAATSA-N -1 0 614.678 5.700 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Cl)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299866208 562894623 /nfs/dbraw/zinc/89/46/23/562894623.db2.gz VIHWWBAIVYWONY-SDNWHVSQSA-N -1 0 617.106 5.595 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccccc5O)n(-c5ccc(F)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299867843 562894915 /nfs/dbraw/zinc/89/49/15/562894915.db2.gz YWBCNBXOQAQKBP-UHFFFAOYSA-N -1 0 630.677 5.182 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299869092 562895289 /nfs/dbraw/zinc/89/52/89/562895289.db2.gz UAEOSAGLKYZGCN-FOCLMDBBSA-N -1 0 596.688 5.332 1 0 KKAFRM COc1ncccc1-c1nn([C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473083200 562896778 /nfs/dbraw/zinc/89/67/78/562896778.db2.gz AYRKJCVIDKUYMS-LJQANCHMSA-N -1 0 604.585 6.486 1 0 KKAFRM Cc1ccc(COc2ccccc2OCCCOc2ccc3c(c2)c(CC(=O)[O-])cn3Cc2ccccc2)cc1 ZINC000473083927 562896823 /nfs/dbraw/zinc/89/68/23/562896823.db2.gz PLQITAZQKSXPRL-UHFFFAOYSA-N -1 0 535.640 7.052 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(Oc4ccccc4)c3)cc12 ZINC000473084584 562896917 /nfs/dbraw/zinc/89/69/17/562896917.db2.gz SDDVNANHJIJWDF-UHFFFAOYSA-N -1 0 507.586 6.957 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(F)cc4)c3)cc12 ZINC000473084769 562896925 /nfs/dbraw/zinc/89/69/25/562896925.db2.gz UMYSGJRALCDLRY-UHFFFAOYSA-N -1 0 539.603 6.883 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21 ZINC000473086396 562897084 /nfs/dbraw/zinc/89/70/84/562897084.db2.gz HQJYRQVEIABKOS-SSEXGKCCSA-N -1 0 677.695 8.530 1 0 KKAFRM CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CCC[C@]21C ZINC000473087446 562897141 /nfs/dbraw/zinc/89/71/41/562897141.db2.gz JYSJXBUZXYKFST-LGIRGXTLSA-N -1 0 515.588 6.494 1 0 KKAFRM COc1ccc(OC(F)(F)F)cc1-c1nn([C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473088377 562897254 /nfs/dbraw/zinc/89/72/54/562897254.db2.gz NQZPNOOXCXZHDZ-IBGZPJMESA-N -1 0 687.593 7.990 1 0 KKAFRM COc1ccncc1-c1nn([C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473088543 562897316 /nfs/dbraw/zinc/89/73/16/562897316.db2.gz OVNIMTCUHNDIOZ-IBGZPJMESA-N -1 0 604.585 6.486 1 0 KKAFRM CCOC(=O)/C=C/COc1cc(=O)c2c([O-])c(OC/C=C/C(=O)OCC)c(-c3ccc(OC)cc3)oc-2c1CC=C(C)C ZINC000473089907 562897450 /nfs/dbraw/zinc/89/74/50/562897450.db2.gz MSLXAMQUUZRWNN-GFULKKFKSA-N -1 0 592.641 5.679 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090058 562897489 /nfs/dbraw/zinc/89/74/89/562897489.db2.gz UNWQPKHODAIAIW-NRFANRHFSA-N -1 0 644.650 6.713 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 ZINC000473090558 562897541 /nfs/dbraw/zinc/89/75/41/562897541.db2.gz WCVRCGUPWLUXJR-WJOKGBTCSA-N -1 0 643.706 8.690 1 0 KKAFRM CCCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21 ZINC000473090561 562897546 /nfs/dbraw/zinc/89/75/46/562897546.db2.gz WDPJGUOYBLRNMQ-HKBQPEDESA-N -1 0 694.150 9.044 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090563 562897572 /nfs/dbraw/zinc/89/75/72/562897572.db2.gz WDPNNRCZWVGLPU-GOSISDBHSA-N -1 0 626.006 7.875 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21 ZINC000473091455 562897638 /nfs/dbraw/zinc/89/76/38/562897638.db2.gz YFFFHANTAHJQKH-PMERELPUSA-N -1 0 645.678 8.000 1 0 KKAFRM COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000473115465 562899027 /nfs/dbraw/zinc/89/90/27/562899027.db2.gz STQFTLGZKHJNKE-MQCXLNOWSA-N -1 0 570.811 7.594 1 0 KKAFRM COc1ccc([C@H]2CC(c3ccco3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccccc3C)cc2)cc1 ZINC000473120571 562899364 /nfs/dbraw/zinc/89/93/64/562899364.db2.gz OLYQMKXTJPDCGN-AREMUKBSSA-N -1 0 530.606 5.463 1 0 KKAFRM O=C1N(c2cnc(OCC3CCCC3)c(Cl)c2)c2cc3onc([N-]S(=O)(=O)C4CC4)c3cc2C12CC2 ZINC000473154071 562902056 /nfs/dbraw/zinc/90/20/56/562902056.db2.gz DUQXIHGOSDMLKU-UHFFFAOYSA-N -1 0 529.018 5.059 1 0 KKAFRM O=C([O-])[C@H](CCCn1cc(-c2ccc(Cl)cc2)nn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000473172558 562903308 /nfs/dbraw/zinc/90/33/08/562903308.db2.gz XLAZLDQGTDUBPL-VWLOTQADSA-N -1 0 516.985 5.371 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(OCC2CCC2)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473194445 562903622 /nfs/dbraw/zinc/90/36/22/562903622.db2.gz HBOXDEFVCUDMAN-UHFFFAOYSA-N -1 0 516.619 5.816 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1cc2cccc(Cl)c2n1C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473228817 562904337 /nfs/dbraw/zinc/90/43/37/562904337.db2.gz QXGXMKXHKPHIQW-UHFFFAOYSA-N -1 0 520.010 5.782 1 0 KKAFRM Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653663052 562905907 /nfs/dbraw/zinc/90/59/07/562905907.db2.gz HJCYHYZYHRDVBU-UHFFFAOYSA-N -1 0 621.140 5.904 1 0 KKAFRM Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653685089 562906425 /nfs/dbraw/zinc/90/64/25/562906425.db2.gz YTHZYTZTWHGKMK-UHFFFAOYSA-N -1 0 626.181 6.570 1 0 KKAFRM CCCCOc1cc(=O)c2c([O-])c(OCCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653701036 562907422 /nfs/dbraw/zinc/90/74/22/562907422.db2.gz GSMSNEOZIULMAW-IZEXYCQBSA-N -1 0 592.641 6.111 1 0 KKAFRM CCCOc1cc(=O)c2c([O-])c(OCCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653701098 562907481 /nfs/dbraw/zinc/90/74/81/562907481.db2.gz WPQBCUYBRTZYCY-LITSAYRRSA-N -1 0 564.587 5.331 1 0 KKAFRM Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NCc3cc(C(=O)[O-])n(C)c3)[nH]c21 ZINC000653708982 562908015 /nfs/dbraw/zinc/90/80/15/562908015.db2.gz ASMOXSKXETVZOR-UHFFFAOYSA-N -1 0 602.135 6.434 1 0 KKAFRM CSCC[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-] ZINC000653762962 562911480 /nfs/dbraw/zinc/91/14/80/562911480.db2.gz LIEZKEHCNXOICO-WSYXCWMYSA-N -1 0 505.765 5.665 1 0 KKAFRM Cc1cc(OCCCc2c3ccc(Cl)cc3[nH]c2C(=O)[N-]S(=O)(=O)c2ccccc2)cc(C)c1Cl ZINC000653718517 562908665 /nfs/dbraw/zinc/90/86/65/562908665.db2.gz UPSTZIYEYCDOAV-UHFFFAOYSA-N -1 0 531.461 6.222 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721895 562908758 /nfs/dbraw/zinc/90/87/58/562908758.db2.gz BRLNECUABJLUDK-DENIHFKCSA-N -1 0 500.732 5.481 1 0 KKAFRM O=C([O-])c1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721898 562908769 /nfs/dbraw/zinc/90/87/69/562908769.db2.gz BRLNECUABJLUDK-UGKGYDQZSA-N -1 0 500.732 5.481 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3ccnc(NCCC(C)C)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653725594 562909081 /nfs/dbraw/zinc/90/90/81/562909081.db2.gz VNLUUSGOJIHLES-UHFFFAOYSA-N -1 0 725.743 8.092 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3ccnc(NCCc4ccccc4)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653725581 562909083 /nfs/dbraw/zinc/90/90/83/562909083.db2.gz PLUDXXQQJHWPGO-UHFFFAOYSA-N -1 0 759.760 8.289 1 0 KKAFRM CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000653746439 562910415 /nfs/dbraw/zinc/91/04/15/562910415.db2.gz UJCCELSWWRMAPH-AYVZPHPZSA-N -1 0 584.838 8.128 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NC[C@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653751500 562910651 /nfs/dbraw/zinc/91/06/51/562910651.db2.gz BJQUTRCQUKHTLD-PMERELPUSA-N -1 0 547.655 6.174 1 0 KKAFRM O=C([O-])c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000653753137 562910792 /nfs/dbraw/zinc/91/07/92/562910792.db2.gz BCVQFRDWOARAGY-UHFFFAOYSA-N -1 0 511.408 8.510 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653754337 562910813 /nfs/dbraw/zinc/91/08/13/562910813.db2.gz RVPUUZJPJXYOSN-UHFFFAOYSA-N -1 0 677.827 7.357 1 0 KKAFRM CCCc1nc2c(cc(C(=O)N[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653763489 562911478 /nfs/dbraw/zinc/91/14/78/562911478.db2.gz FKWSGYNHHMFCAV-HSZRJFAPSA-N -1 0 531.656 7.202 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653763583 562911495 /nfs/dbraw/zinc/91/14/95/562911495.db2.gz XOLYNJWWRPDHFK-TWJRVYNGSA-N -1 0 571.802 7.308 1 0 KKAFRM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cc(C)no3)C(=O)c3cc(Cl)c([O-])cc3O)cc2)cc1 ZINC000653775799 562911922 /nfs/dbraw/zinc/91/19/22/562911922.db2.gz VKRJGZNMDIROFE-UHFFFAOYSA-N -1 0 535.984 5.175 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NC(C)(C)C)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653778047 562911973 /nfs/dbraw/zinc/91/19/73/562911973.db2.gz BWBSWNGIQYFHKG-UHFFFAOYSA-N -1 0 613.784 6.946 1 0 KKAFRM CC(C)c1ccc(NC(=O)c2cc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)ccc2Nc2ccccc2)cc1 ZINC000653801648 562913456 /nfs/dbraw/zinc/91/34/56/562913456.db2.gz UYVYKKDLERWBQK-UHFFFAOYSA-N -1 0 519.557 6.305 1 0 KKAFRM COc1ccc(-c2cc(C(=O)[O-])sc2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000653803695 562913567 /nfs/dbraw/zinc/91/35/67/562913567.db2.gz QILNTUAJKIHTRD-UHFFFAOYSA-N -1 0 506.576 6.394 1 0 KKAFRM COc1ccc(-n2cc(C=O)c(-c3cc4c(C)cc(=O)oc4c(-c4nn(-c5ccc(OC)cc5)cc4C=O)c3[O-])n2)cc1 ZINC000653810018 562913805 /nfs/dbraw/zinc/91/38/05/562913805.db2.gz LKRTXDKTHUZTNO-UHFFFAOYSA-N -1 0 576.565 5.155 1 0 KKAFRM CCOc1cncc(N2C(=O)c3c(c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)C2=O)c1 ZINC000653845096 562915104 /nfs/dbraw/zinc/91/51/04/562915104.db2.gz NBAUJRSKYNXFHS-UHFFFAOYSA-N -1 0 514.003 5.033 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc32)n(CC(=O)Nc2ccccc2S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653847635 562915283 /nfs/dbraw/zinc/91/52/83/562915283.db2.gz GHLLVPDDBMKUPI-UHFFFAOYSA-N -1 0 769.202 6.337 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccs1 ZINC000653850791 562915513 /nfs/dbraw/zinc/91/55/13/562915513.db2.gz BAHMPQDACGDTIV-JOCHJYFZSA-N -1 0 526.445 6.326 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)N4CCC[C@@H](C(=O)[O-])C4)cc3)ccc2c1 ZINC000653853885 562915671 /nfs/dbraw/zinc/91/56/71/562915671.db2.gz DKSZNJPKMUGXLT-KDYSTLNUSA-N -1 0 628.556 8.232 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NC[C@H](C)C(=O)[O-])cc3)ccc2c1 ZINC000653853975 562915680 /nfs/dbraw/zinc/91/56/80/562915680.db2.gz KWLIKEXVUDOUFJ-PMACEKPBSA-N -1 0 602.518 7.746 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc3)ccc2c1 ZINC000653853979 562915707 /nfs/dbraw/zinc/91/57/07/562915707.db2.gz KWLIKEXVUDOUFJ-UXHICEINSA-N -1 0 602.518 7.746 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(NCCCC(=O)NCc2ccccc2C(F)(F)F)n1)C(=O)[O-] ZINC000653895017 562917342 /nfs/dbraw/zinc/91/73/42/562917342.db2.gz LPRKTKXOGCTTNF-SFHVURJKSA-N -1 0 547.043 6.173 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(NCCCC(=O)NCc2ccccc2C(F)(F)F)n1)C(=O)[O-] ZINC000653895016 562917350 /nfs/dbraw/zinc/91/73/50/562917350.db2.gz LPRKTKXOGCTTNF-GOSISDBHSA-N -1 0 547.043 6.173 1 0 KKAFRM COc1ccc(-c2cc(=O)c3c(OC)cc(OC)c(-c4cc(-c5cc([O-])c6c(=O)cc(OC)cc-6o5)ccc4OC)c3o2)cc1 ZINC000085570786 565145325 /nfs/dbraw/zinc/14/53/25/565145325.db2.gz BKKZWEKKSWPVJV-UHFFFAOYSA-N -1 0 608.599 6.649 1 0 biogenic,in-vitro KKAFRM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2C4=C(C)[C@@H](C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C(C)(C)[C@@H]1OC(C)=O ZINC000100780753 574412231 /nfs/dbraw/zinc/41/22/31/574412231.db2.gz NKUPBVVFDCQLGE-YCJMNAFNSA-N -1 0 554.768 7.266 1 0 endogenous,in-man KKAFRM COC(=O)[C@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]43C)[C@@H]2C1 ZINC000257639037 574412981 /nfs/dbraw/zinc/41/29/81/574412981.db2.gz YAGYBNOEVSEGSL-ABHPHPLOSA-N -1 0 516.719 5.359 1 0 endogenous,in-man KKAFRM Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(O[C@@H](Cc4ccccc4)C(=O)[O-])cc3)cc2)c1C ZINC000028757435 581094372 /nfs/dbraw/zinc/09/43/72/581094372.db2.gz UBJAUPOCIDXIPS-HKBQPEDESA-N -1 0 518.678 8.364 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC[C@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@@H]4CC[C@@]3(C)[C@H]12 ZINC000026743671 581095581 /nfs/dbraw/zinc/09/55/81/581095581.db2.gz FILHRDIXAYLUHH-MPAVDHDJSA-N -1 0 540.697 5.665 1 0 in-vivo KKAFRM C[C@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)nnn1C)c1cccc(C(F)(F)F)c1 ZINC000095578562 541109141 /nfs/dbraw/zinc/10/91/41/541109141.db2.gz HKSCEHNRNXWQAZ-KRWDZBQOSA-N -1 0 550.537 6.594 1 0 KKAFRM CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(CC[C@]43CO)[C@@H]5C)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12 ZINC000085530834 291927906 /nfs/dbraw/zinc/92/79/06/291927906.db2.gz GOCGNNBKNMIGKE-PNFOLTQBSA-N -1 0 572.871 7.965 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(C[C@@H](O)[C@H]43)[C@@H]5C)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12 ZINC000085530828 291927910 /nfs/dbraw/zinc/92/79/10/291927910.db2.gz JCDUZHQRFHQQCS-QXLLTTRHSA-N -1 0 558.844 7.573 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)[O-])CCc2c(cccc2[C@H](C)CCCO)CC1 ZINC000085490756 291932760 /nfs/dbraw/zinc/93/27/60/291932760.db2.gz XCSYYMDCMCKKEM-RBDXNZQGSA-N -1 0 586.854 7.020 1 0 biogenic,in-vitro KKAFRM CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CCC[C@@H](O)C3)[C@H](C(=O)[O-])C/C=C\C[C@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000085489131 291935749 /nfs/dbraw/zinc/93/57/49/291935749.db2.gz MEOAJCNTQVAUJR-CCBHYBEGSA-N -1 0 640.949 10.598 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12CC[C@@H]1Cc3ccccc3C(=O)[C@@H]1C2 ZINC000085489006 291993029 /nfs/dbraw/zinc/99/30/29/291993029.db2.gz KNFIFHVMMQTLIB-UZLVENIGSA-N -1 0 670.934 9.507 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(C[C@H](O)[C@H]43)[C@@H]5CCC)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12 ZINC000085530758 517553938 /nfs/dbraw/zinc/55/39/38/517553938.db2.gz IEZWGEHONSYFKR-ABLHSLKOSA-N -1 0 586.898 8.353 1 0 biogenic,in-vitro KKAFRM COc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)c2ccc(C3=CCCCC3)cc2)cc(C(F)(F)F)c1 ZINC000003965918 551089604 /nfs/dbraw/zinc/08/96/04/551089604.db2.gz JKDNPQJPEAQBPC-MUUNZHRXSA-N -1 0 611.617 6.085 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)[C@@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000261190454 551089615 /nfs/dbraw/zinc/08/96/15/551089615.db2.gz YXRLENJRMMVUDH-FKCDAAJZSA-N -1 0 588.667 6.453 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)ccc2c1 ZINC000095117925 551089661 /nfs/dbraw/zinc/08/96/61/551089661.db2.gz QLCNDVIJFAHAFO-SFHVURJKSA-N -1 0 642.461 8.390 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000043200379 551089673 /nfs/dbraw/zinc/08/96/73/551089673.db2.gz XNSJRSAITGCUKS-HHHXNRCGSA-N -1 0 582.484 6.365 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000261148316 551089785 /nfs/dbraw/zinc/08/97/85/551089785.db2.gz OIQWAEIGTZYWRX-IGKWTDBASA-N -1 0 631.614 6.539 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000001494475 551089832 /nfs/dbraw/zinc/08/98/32/551089832.db2.gz YAJKYUVXRYCKPC-HHHXNRCGSA-N -1 0 548.039 5.711 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(Cl)cc2)cc1 ZINC000044417541 551089972 /nfs/dbraw/zinc/08/99/72/551089972.db2.gz KOVJJWYJLGKJAI-UHFFFAOYSA-N -1 0 559.997 7.025 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc3c(c2)CCC3)cc1 ZINC000049881657 551090086 /nfs/dbraw/zinc/09/00/86/551090086.db2.gz WFUXVTIXEWVFED-UHFFFAOYSA-N -1 0 565.617 6.860 1 0 KKAFRM Cc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095093515 551090240 /nfs/dbraw/zinc/09/02/40/551090240.db2.gz KNTOEHKTBLUGLN-FQEVSTJZSA-N -1 0 572.492 7.799 1 0 KKAFRM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[C@@H](c5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000008695439 553121692 /nfs/dbraw/zinc/12/16/92/553121692.db2.gz OEWAZWLVYAICKM-PQDREZMGSA-N -1 0 549.549 5.292 2 0 KKAFRM CCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000001482916 561675826 /nfs/dbraw/zinc/67/58/26/561675826.db2.gz XAKMDDTYIVYIBZ-UHFFFAOYSA-N -1 0 599.429 5.599 1 0 KKAFRM COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000001488193 561676149 /nfs/dbraw/zinc/67/61/49/561676149.db2.gz CLSJNXXMIVKULC-NDEPHWFRSA-N -1 0 528.605 5.146 1 0 in-man KKAFRM Cc1onc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCC(C)(C)C2=O)c1C ZINC000001489619 561676158 /nfs/dbraw/zinc/67/61/58/561676158.db2.gz JNAFKCJWVUJAQU-UHFFFAOYSA-N -1 0 520.611 5.173 1 0 KKAFRM Cc1nn(-c2ccccc2)c2ncc3c(OC(=O)CCCC(=O)[O-])c(-c4ccc(Cl)cc4)sc3c12 ZINC000001494386 561676463 /nfs/dbraw/zinc/67/64/63/561676463.db2.gz MDFIHDSLFOQLCU-UHFFFAOYSA-N -1 0 505.983 6.424 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3cccc(Cl)n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535722 561676820 /nfs/dbraw/zinc/67/68/20/561676820.db2.gz UTGBNEHVUCWWDU-UHFFFAOYSA-N -1 0 571.570 8.514 1 0 KKAFRM Cc1nc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n3Cc2ccc(Cl)cc2)cs1 ZINC000001535809 561676932 /nfs/dbraw/zinc/67/69/32/561676932.db2.gz YZUDNGQPVIXZRU-UHFFFAOYSA-N -1 0 557.181 8.231 1 0 KKAFRM COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)[O-])c(OC)c1C ZINC000001912547 561680243 /nfs/dbraw/zinc/68/02/43/561680243.db2.gz GMGUUHJTCVMSIG-UHFFFAOYSA-N -1 0 552.576 5.411 1 0 KKAFRM CCO[C@@H](Cc1ccc(OCC=C(c2ccc(-c3ccco3)cc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)[O-] ZINC000001549535 561677447 /nfs/dbraw/zinc/67/74/47/561677447.db2.gz UGZBEZSNPTZBMB-XIFFEERXSA-N -1 0 534.608 7.750 1 0 KKAFRM O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(Oc2ccc(Cl)c(Cl)c2)ccc(Cl)c1S(=O)(=O)[O-] ZINC000001555850 561677668 /nfs/dbraw/zinc/67/76/68/561677668.db2.gz QRHIXNFPZKMURE-UHFFFAOYSA-N -1 0 555.745 7.349 1 0 KKAFRM CC[C@@H](Sc1nc2ccsc2c(=O)n1Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000002932604 561681179 /nfs/dbraw/zinc/68/11/79/561681179.db2.gz DWPKPKQLWJMISB-HXUWFJFHSA-N -1 0 528.055 5.676 3 0 KKAFRM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000003815650 561683010 /nfs/dbraw/zinc/68/30/10/561683010.db2.gz KPHRDRFCGGZQJY-ZTOMLWHTSA-N -1 0 529.658 6.424 1 0 KKAFRM CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)[N-]C(=O)CCCCCN3C(=O)OCc1ccccc1 ZINC000003843021 561684187 /nfs/dbraw/zinc/68/41/87/561684187.db2.gz LEMLUMMISIHZGH-UHFFFAOYSA-N -1 0 678.811 7.427 1 0 in-vivo KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000003916940 561685164 /nfs/dbraw/zinc/68/51/64/561685164.db2.gz SOUXTOZGVBFBFE-LEYIMRRPSA-N -1 0 626.671 9.663 1 0 KKAFRM CCCc1nc(C)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003919508 561685517 /nfs/dbraw/zinc/68/55/17/561685517.db2.gz USMIJARBQMDXNV-UHFFFAOYSA-N -1 0 613.456 5.989 1 0 KKAFRM CCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003919507 561685599 /nfs/dbraw/zinc/68/55/99/561685599.db2.gz SXWKWJFIAKACAB-UHFFFAOYSA-N -1 0 619.847 5.944 1 0 KKAFRM CCCc1nc(C)c(C(=O)NCC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003919509 561685610 /nfs/dbraw/zinc/68/56/10/561685610.db2.gz XFLWQLQBGLXFJN-UHFFFAOYSA-N -1 0 627.483 6.379 1 0 KKAFRM CCCC1=NC2(CCSCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000003923204 561686212 /nfs/dbraw/zinc/68/62/12/561686212.db2.gz PYPOKAAQTCYXDR-UHFFFAOYSA-N -1 0 561.729 5.279 1 0 KKAFRM O=C([O-])CCS[C@@H](CCc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000003924481 561686310 /nfs/dbraw/zinc/68/63/10/561686310.db2.gz RALHWZILPSWUOR-YTTGMZPUSA-N -1 0 603.184 7.975 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000003925757 561686642 /nfs/dbraw/zinc/68/66/42/561686642.db2.gz MFYDVLFZQCQUGD-UIOOFZCWSA-N -1 0 562.453 5.512 1 0 KKAFRM CC(C)Cc1ccc(C(Nc2cccc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)c2)c2ccc(CC(C)C)cc2)cc1 ZINC000003927502 561686901 /nfs/dbraw/zinc/68/69/01/561686901.db2.gz LACIBZRFAYFTOV-UHFFFAOYSA-N -1 0 600.803 9.336 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(-c3ccsc3)cn2)cc1 ZINC000003936231 561688620 /nfs/dbraw/zinc/68/86/20/561688620.db2.gz DDDLHQVGWTUWPG-UHFFFAOYSA-N -1 0 601.754 6.527 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccc(F)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000003938224 561688854 /nfs/dbraw/zinc/68/88/54/561688854.db2.gz VAAUGWQPDBPVHS-JHEAYKPVSA-N -1 0 586.581 9.575 1 0 KKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)/C=C/c4ccc(Br)cc4)cc3Cl)o2)cs1 ZINC000003938335 561688885 /nfs/dbraw/zinc/68/88/85/561688885.db2.gz IIFRGJWMWZUWTR-XCVCLJGOSA-N -1 0 543.826 6.765 1 0 KKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(OC(F)(F)F)cc4)cc3Cl)o2)cs1 ZINC000003938344 561688910 /nfs/dbraw/zinc/68/89/10/561688910.db2.gz PJVLIVVABDKPAB-UHFFFAOYSA-N -1 0 522.888 6.502 1 0 KKAFRM CC[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)[P@](=O)([O-])OCOC(=O)C(C)(C)C)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1 ZINC000003952206 561690586 /nfs/dbraw/zinc/69/05/86/561690586.db2.gz KIAFRTJCMQFQGO-SVBPBHIXSA-N -1 0 673.735 5.246 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)c(Cl)c2Cl)C1 ZINC000003954896 561690780 /nfs/dbraw/zinc/69/07/80/561690780.db2.gz CYHYOQQJILLXPV-GIVPXCGWSA-N -1 0 590.573 5.678 1 0 KKAFRM Cn1nc(C[C@@H](CC(=O)[O-])c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCc1ccc2c(n1)NCCC2 ZINC000003962001 561691114 /nfs/dbraw/zinc/69/11/14/561691114.db2.gz XKXMEMPIHRKAQX-IBGZPJMESA-N -1 0 538.073 5.373 1 0 KKAFRM CCCc1cc(-c2nc(C)c(C(C)=O)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000003961821 561691153 /nfs/dbraw/zinc/69/11/53/561691153.db2.gz XUJUKBDYMUPHEK-NRFANRHFSA-N -1 0 507.652 6.626 1 0 KKAFRM O=C([O-])CCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000003961174 561691156 /nfs/dbraw/zinc/69/11/56/561691156.db2.gz QOPLIAKICOATNK-UHFFFAOYSA-N -1 0 506.406 6.490 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000003962833 561691310 /nfs/dbraw/zinc/69/13/10/561691310.db2.gz GQPPIAAXSZCKMB-WJOKGBTCSA-N -1 0 588.704 7.567 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(SCCO)nc1OCCOc1ncc(Br)cn1 ZINC000003986199 561692950 /nfs/dbraw/zinc/69/29/50/561692950.db2.gz JSMKJLAESVLUIX-UHFFFAOYSA-N -1 0 706.641 5.471 1 0 KKAFRM Cc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1Cl ZINC000003994952 561693743 /nfs/dbraw/zinc/69/37/43/561693743.db2.gz GMINLGKKNUFSSX-SFTDATJTSA-N -1 0 539.991 5.551 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005957663 561700705 /nfs/dbraw/zinc/70/07/05/561700705.db2.gz KQAYCLXEQVMWMJ-LOYHVIPDSA-N -1 0 633.742 5.368 1 0 KKAFRM COc1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)[O-])c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000006009730 561701690 /nfs/dbraw/zinc/70/16/90/561701690.db2.gz DLAZWWXTRZZSCN-JRWCXLMHSA-N -1 0 578.697 5.265 1 0 KKAFRM COc1nc2c(cccc2SCCCc2cc3c(cc2O)C[C@@H](CCc2ccccc2)O3)cc1C(=O)[O-] ZINC000013453351 561713492 /nfs/dbraw/zinc/71/34/92/561713492.db2.gz YXMJGXWIWGTRJM-HSZRJFAPSA-N -1 0 515.631 6.308 1 0 KKAFRM O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCc2ccc(Cl)c(Cl)c2)C1=O ZINC000012358453 561710391 /nfs/dbraw/zinc/71/03/91/561710391.db2.gz LENUNWNTEHESMH-DEOSSOPVSA-N -1 0 500.378 5.426 1 0 KKAFRM CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358277 561710399 /nfs/dbraw/zinc/71/03/99/561710399.db2.gz GBIOHEUFDWLGGW-HKBQPEDESA-N -1 0 553.680 7.970 1 0 KKAFRM CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358276 561710434 /nfs/dbraw/zinc/71/04/34/561710434.db2.gz FNKVFLXYXZCKKE-GDLZYMKVSA-N -1 0 533.690 7.502 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358282 561710440 /nfs/dbraw/zinc/71/04/40/561710440.db2.gz IFTRHBWQNKERFM-RUZDIDTESA-N -1 0 512.027 6.957 1 0 KKAFRM Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000012358530 561710544 /nfs/dbraw/zinc/71/05/44/561710544.db2.gz QUFDAJDYOPXGGD-UMSFTDKQSA-N -1 0 533.624 7.403 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CCC)(C(=O)[O-])CC2 ZINC000012358554 561710561 /nfs/dbraw/zinc/71/05/61/561710561.db2.gz JHPUSZOXXQWTST-WJOKGBTCSA-N -1 0 504.623 7.228 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358497 561710586 /nfs/dbraw/zinc/71/05/86/561710586.db2.gz RHXBMPROSWDTQC-SANMLTNESA-N -1 0 526.054 7.265 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000013125824 561711444 /nfs/dbraw/zinc/71/14/44/561711444.db2.gz NHDLAUKETGEFCG-QHCPKHFHSA-N -1 0 515.404 5.178 3 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cc(C(F)(F)F)ccc3c2O)cc1 ZINC000013440366 561712462 /nfs/dbraw/zinc/71/24/62/561712462.db2.gz YHDUPJANYHVWAA-UHFFFAOYSA-N -1 0 506.477 5.721 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)C(C)(C)C)c1C ZINC000013492865 561716408 /nfs/dbraw/zinc/71/64/08/561716408.db2.gz QXJMSZDXBBMLGU-UHFFFAOYSA-N -1 0 522.627 5.419 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2COc2ccccc2)c1C ZINC000013492873 561716502 /nfs/dbraw/zinc/71/65/02/561716502.db2.gz UEBNKNPUEAOWHJ-UHFFFAOYSA-N -1 0 501.564 5.993 1 0 KKAFRM CCC/C(=C/Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558156 561719192 /nfs/dbraw/zinc/71/91/92/561719192.db2.gz RAXPLTCLNHPPLI-ATVHPVEESA-N -1 0 515.488 5.575 1 0 KKAFRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@](C)(Cc2ccc(Cl)cc2)Oc2ccc(C(C)C)cc2)cc1 ZINC000013604880 561721574 /nfs/dbraw/zinc/72/15/74/561721574.db2.gz CPUJZBWGONHGEO-AREMUKBSSA-N -1 0 502.032 5.357 1 0 KKAFRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@](C)(Oc2ccc(C(C)C)cc2)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000013604916 561721662 /nfs/dbraw/zinc/72/16/62/561721662.db2.gz CURCUGJGMBCAAA-WINIVTDRSA-N -1 0 516.059 5.918 1 0 KKAFRM COc1ccc(Cc2cccc3c2C[C@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013731555 561725156 /nfs/dbraw/zinc/72/51/56/561725156.db2.gz GREKMFQWMSIASG-GDLZYMKVSA-N -1 0 505.614 5.764 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2ccno2)c1OC ZINC000013740547 561726014 /nfs/dbraw/zinc/72/60/14/561726014.db2.gz XBZIKKCTDXBIEW-AREMUKBSSA-N -1 0 509.599 5.881 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2c[nH]nn2)c1OC ZINC000013740551 561726063 /nfs/dbraw/zinc/72/60/63/561726063.db2.gz ZQCFGHVVUMADNA-RUZDIDTESA-N -1 0 509.603 5.011 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(CCc2ccccn2)c1-3 ZINC000013742698 561726394 /nfs/dbraw/zinc/72/63/94/561726394.db2.gz IAJOHCKWOUDJLA-UHFFFAOYSA-N -1 0 504.674 7.606 1 0 KKAFRM CC/C(=C\c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1)C(=O)[O-] ZINC000013758706 561727421 /nfs/dbraw/zinc/72/74/21/561727421.db2.gz VKIKTVSLOHITCH-ZXVVBBHZSA-N -1 0 507.630 6.540 1 0 KKAFRM CCCC[C@H](CCC)n1ccc2cc(/C(=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])CC)ccc21 ZINC000013760646 561727613 /nfs/dbraw/zinc/72/76/13/561727613.db2.gz NVMYVXFONNDJFW-PJEOMBKJSA-N -1 0 504.671 7.848 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCCc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)n1 ZINC000013799603 561730371 /nfs/dbraw/zinc/73/03/71/561730371.db2.gz PMUCOFCFESYTCH-AREMUKBSSA-N -1 0 502.998 5.782 1 0 KKAFRM CCCCc1cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)cc1COc1cccnc1 ZINC000013800685 561730511 /nfs/dbraw/zinc/73/05/11/561730511.db2.gz SDTSWKWFVJARDM-MHZLTWQESA-N -1 0 506.668 5.915 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(OCC3CC3)c2C)c1Cl ZINC000013801646 561730652 /nfs/dbraw/zinc/73/06/52/561730652.db2.gz CGAJTYLBGHPSIZ-UHFFFAOYSA-N -1 0 510.037 5.465 1 0 KKAFRM CCCCc1nnc(SCc2ccc(C(=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825659 561733015 /nfs/dbraw/zinc/73/30/15/561733015.db2.gz BPJXTVAXRBARAT-UHFFFAOYSA-N -1 0 525.638 5.507 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2cccc(Cl)c2)c1-c1ccc(F)cc1 ZINC000013833933 561733930 /nfs/dbraw/zinc/73/39/30/561733930.db2.gz CDOIXCGFLXAART-QZTJIDSGSA-N -1 0 500.876 5.005 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000013834059 561734071 /nfs/dbraw/zinc/73/40/71/561734071.db2.gz LZUGTLYMIOPWFM-PMERELPUSA-N -1 0 513.682 7.077 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000013834060 561734090 /nfs/dbraw/zinc/73/40/90/561734090.db2.gz YMYTZPFVYVJDMW-GDLZYMKVSA-N -1 0 534.100 7.422 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000013834065 561734092 /nfs/dbraw/zinc/73/40/92/561734092.db2.gz LWMXRVDTQJPEEB-LJAQVGFWSA-N -1 0 534.100 7.422 1 0 KKAFRM Cc1nn(-c2ccccc2)c2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12 ZINC000013888040 561735501 /nfs/dbraw/zinc/73/55/01/561735501.db2.gz JXWKQKDYNWCBQH-OKRGKCMKSA-N -1 0 503.574 5.258 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5c(C/C=C(\C)CCC=C(C)C)c([O-])cc(O)c5c(=O)c4O)ccc3O[C@@H]2CO)ccc1O ZINC000014127891 561736755 /nfs/dbraw/zinc/73/67/55/561736755.db2.gz MLWNTYYGBNTWKM-AKXJSLHHSA-N -1 0 616.663 6.400 1 0 KKAFRM COc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1OC ZINC000014943441 561741712 /nfs/dbraw/zinc/74/17/12/561741712.db2.gz DXPPSGZWDKIKAH-SANMLTNESA-N -1 0 539.650 5.364 1 0 KKAFRM CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1O[C@@H](C(=O)[O-])CC2 ZINC000014254630 561738547 /nfs/dbraw/zinc/73/85/47/561738547.db2.gz NFHKAMAWIQHXAT-HHHXNRCGSA-N -1 0 537.678 6.350 1 0 KKAFRM CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1cccs1 ZINC000014946774 561744334 /nfs/dbraw/zinc/74/43/34/561744334.db2.gz VBDZKMDDVRLKNW-SANMLTNESA-N -1 0 570.733 5.557 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4c(cccc4Br)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955263 561747382 /nfs/dbraw/zinc/74/73/82/561747382.db2.gz HJMJVDVHUUBDST-PZJWPPBQSA-N -1 0 582.505 6.062 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4cc(Br)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955255 561747393 /nfs/dbraw/zinc/74/73/93/561747393.db2.gz GDVCJUYCAGOQOZ-UNMCSNQZSA-N -1 0 582.505 5.222 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3ccccc3C(F)(F)F)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963492 561749060 /nfs/dbraw/zinc/74/90/60/561749060.db2.gz KZWDABJHNCMZEM-JOCHJYFZSA-N -1 0 533.333 6.653 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3ccccc3C(F)(F)F)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963495 561749074 /nfs/dbraw/zinc/74/90/74/561749074.db2.gz KZWDABJHNCMZEM-QFIPXVFZSA-N -1 0 533.333 6.653 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3ccc(Cl)cc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963433 561749081 /nfs/dbraw/zinc/74/90/81/561749081.db2.gz LMIIXRYEZMSHOH-JOCHJYFZSA-N -1 0 534.226 6.941 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(F)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963458 561749092 /nfs/dbraw/zinc/74/90/92/561749092.db2.gz NCJROBQUOMPQFE-OAQYLSRUSA-N -1 0 517.771 6.427 1 0 KKAFRM Cc1cc(Cl)c(C(=O)N[C@@H](Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)[O-])c(Cl)n1 ZINC000014963588 561749183 /nfs/dbraw/zinc/74/91/83/561749183.db2.gz VQROSQYIAGWBBN-FQEVSTJZSA-N -1 0 549.241 6.645 1 0 KKAFRM COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1C(F)(F)F ZINC000014966020 561749845 /nfs/dbraw/zinc/74/98/45/561749845.db2.gz NLJJQBFMCWFYIW-PMACEKPBSA-N -1 0 589.542 5.617 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000014966053 561749852 /nfs/dbraw/zinc/74/98/52/561749852.db2.gz REDKKVINILPCFB-OALUTQOASA-N -1 0 560.409 5.896 1 0 KKAFRM COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)ccc1NC(=O)Nc1ccccc1C(C)C ZINC000014966025 561749863 /nfs/dbraw/zinc/74/98/63/561749863.db2.gz MSLKEFBOXBUEPF-GOTSBHOMSA-N -1 0 563.626 5.721 1 0 KKAFRM CCCC(CCC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(=O)[O-])cc2Cl)cc1Br ZINC000014969209 561750548 /nfs/dbraw/zinc/75/05/48/561750548.db2.gz OOUBNAURBOKHOI-UHFFFAOYSA-N -1 0 517.247 7.330 1 0 KKAFRM COc1cc(-c2nc(C)c(C(=O)N(C)C)s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977181 561752341 /nfs/dbraw/zinc/75/23/41/561752341.db2.gz ZJOFXAJCGLRQOX-IBGZPJMESA-N -1 0 524.639 5.181 1 0 KKAFRM O=c1cc(-c2ccc(O)cc2)oc2c1ccc([O-])c2-c1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)ccc1O ZINC000017654620 561757599 /nfs/dbraw/zinc/75/75/99/561757599.db2.gz QNAFDVLROPGMOY-UHFFFAOYSA-N -1 0 522.465 5.428 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)cc1 ZINC000026151061 561767667 /nfs/dbraw/zinc/76/76/67/561767667.db2.gz TUCFEDMYNBPBKC-UHFFFAOYSA-N -1 0 541.670 5.115 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)cc2C(=O)c2ccccc2)c1Cl ZINC000026151483 561767676 /nfs/dbraw/zinc/76/76/76/561767676.db2.gz JLRRDGMHNRQGQM-UHFFFAOYSA-N -1 0 530.027 5.599 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(/C=C/c2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025987549 561764361 /nfs/dbraw/zinc/76/43/61/561764361.db2.gz JHLCBEICWMJALX-ULNYTKQRSA-N -1 0 520.714 5.964 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cccc(I)c3c2O)cc1 ZINC000026006407 561765625 /nfs/dbraw/zinc/76/56/25/561765625.db2.gz JTTOVWOQLFZCMJ-UHFFFAOYSA-N -1 0 564.376 5.307 1 0 KKAFRM CC[C@H](C)NC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3c(C)cc(C)cc3C)C(=O)[O-])cc2)c1 ZINC000026012056 561765944 /nfs/dbraw/zinc/76/59/44/561765944.db2.gz HWQZFUYEJBHGFB-LVXARBLLSA-N -1 0 537.682 5.173 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Oc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168102 561769500 /nfs/dbraw/zinc/76/95/00/561769500.db2.gz FPOPGDWXBFUBKQ-WJOKGBTCSA-N -1 0 550.655 6.614 1 0 KKAFRM CCCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000026172264 561770162 /nfs/dbraw/zinc/77/01/62/561770162.db2.gz KHJHACWGMCPAEX-MHZLTWQESA-N -1 0 540.660 7.072 1 0 KKAFRM Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccco3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000026293788 561781042 /nfs/dbraw/zinc/78/10/42/561781042.db2.gz RDVHLMJRZJBHMF-XZWHSSHBSA-N -1 0 563.654 5.540 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026295311 561781334 /nfs/dbraw/zinc/78/13/34/561781334.db2.gz HOULTIREPNOFQE-UHFFFAOYSA-N -1 0 678.768 5.235 1 0 KKAFRM CCCc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(Oc2ccccc2OC)c(OCCOC(=O)Nc2ccccn2)n1 ZINC000026289759 561780340 /nfs/dbraw/zinc/78/03/40/561780340.db2.gz ZYPQETRCACBJNS-UHFFFAOYSA-N -1 0 635.743 6.351 1 0 KKAFRM CCCCc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2c(ccc(OCC(F)(F)F)c2C(=O)[O-])[n+]1[O-] ZINC000026394088 561786356 /nfs/dbraw/zinc/78/63/56/561786356.db2.gz NPOORILWRAZRDQ-UHFFFAOYSA-N -1 0 580.523 5.490 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1cccc(F)c1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026395070 561786647 /nfs/dbraw/zinc/78/66/47/561786647.db2.gz RPNGFLLEKVAIHJ-XRKRLSELSA-N -1 0 566.654 5.713 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2cccc(OC)c2)cc1)C(C)(C)C ZINC000026396311 561787046 /nfs/dbraw/zinc/78/70/46/561787046.db2.gz HLPVNHUQEVIWBT-PQHLKRTFSA-N -1 0 578.690 5.582 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026396446 561787174 /nfs/dbraw/zinc/78/71/74/561787174.db2.gz WNJWSNXIZOSCTK-BVRKHOPBSA-N -1 0 592.717 6.190 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)N1CCCCCCC1)C(=O)[O-] ZINC000026398833 561787750 /nfs/dbraw/zinc/78/77/50/561787750.db2.gz HCIDUUVZRHLCAT-UODIDJSMSA-N -1 0 648.643 5.108 1 0 KKAFRM CC(C)(C)Sc1c2cc(/C=C/c3ccc4ccccc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026470683 561790468 /nfs/dbraw/zinc/79/04/68/561790468.db2.gz WPAWIIMFRZUHBN-SFQUDFHCSA-N -1 0 583.197 9.606 1 0 KKAFRM COc1cccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCC2)c1 ZINC000026499508 561795157 /nfs/dbraw/zinc/79/51/57/561795157.db2.gz HGCVASOOTMJQDH-VWLOTQADSA-N -1 0 569.485 6.169 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000026490212 561793182 /nfs/dbraw/zinc/79/31/82/561793182.db2.gz JEQCKOOCZCPFMG-UODIDJSMSA-N -1 0 516.638 5.554 1 0 KKAFRM COc1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCCC2)cc1 ZINC000026495063 561794108 /nfs/dbraw/zinc/79/41/08/561794108.db2.gz RYORRMJPTTXKJW-SANMLTNESA-N -1 0 583.512 6.559 1 0 KKAFRM CCCCc1nc(Cl)c(CNC(=O)N[C@@H](C)c2cccc3ccccc32)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026573726 561798703 /nfs/dbraw/zinc/79/87/03/561798703.db2.gz AMKQQXFDFYVBGJ-QHCPKHFHSA-N -1 0 595.143 8.006 1 0 KKAFRM O=S(=O)(CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)[N-]S(=O)(=O)c1cccs1 ZINC000026575549 561799256 /nfs/dbraw/zinc/79/92/56/561799256.db2.gz AIYVFZXYZSCMIE-UHFFFAOYSA-N -1 0 557.784 5.742 1 0 KKAFRM C[C@]12CC[C@@H]3[C@@H](CC=C4C=C(C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000026577736 561802315 /nfs/dbraw/zinc/80/23/15/561802315.db2.gz OZCCZZLCHJSNCZ-VHKPFIKGSA-N -1 0 522.129 7.425 1 0 KKAFRM CSc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026644841 561807190 /nfs/dbraw/zinc/80/71/90/561807190.db2.gz FILAPYMFTPTZNJ-ZEQRLZLVSA-N -1 0 593.554 5.348 1 0 KKAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026663586 561810714 /nfs/dbraw/zinc/81/07/14/561810714.db2.gz VMESQNHMLJLDOP-UHFFFAOYSA-N -1 0 546.553 6.370 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)[O-])Cc1ccccc1 ZINC000026665305 561810969 /nfs/dbraw/zinc/81/09/69/561810969.db2.gz PGOLWKTUHWHYJS-SFMDGOMNSA-N -1 0 557.691 5.222 1 0 in-vivo KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(S(C)(=O)=O)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026666381 561811294 /nfs/dbraw/zinc/81/12/94/561811294.db2.gz FCNMXSHYAFVTJJ-QHCPKHFHSA-N -1 0 640.827 7.424 1 0 KKAFRM CCCCc1cccc([C@]2([C@H](Oc3nc(C)cc(C)n3)C(=O)[O-])NCC(=O)N(Cc3c(C)cc(C)cc3C)c3ccccc32)c1 ZINC000026667887 561811582 /nfs/dbraw/zinc/81/15/82/561811582.db2.gz WFGXYWSSRLHSJI-BLPFIKBVSA-N -1 0 606.767 6.274 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3[S@@]1=O ZINC000026667544 561811583 /nfs/dbraw/zinc/81/15/83/561811583.db2.gz AADUXTNZXBDKCQ-BUGWGTOGSA-N -1 0 613.179 7.690 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)CCC(=O)[O-])c3S1 ZINC000026667527 561811587 /nfs/dbraw/zinc/81/15/87/561811587.db2.gz HBFMECPKGYATGF-DEOSSOPVSA-N -1 0 625.234 9.454 1 0 KKAFRM Cc1cc(C)nc(O[C@H](C(=O)[O-])[C@@]2(c3cccc(-c4ccccc4)c3)NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc32)n1 ZINC000026670561 561812245 /nfs/dbraw/zinc/81/22/45/561812245.db2.gz VEMZPXZQLOLLKQ-ILFWFZRHSA-N -1 0 638.646 6.090 1 0 KKAFRM COc1cccc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000026671612 561812478 /nfs/dbraw/zinc/81/24/78/561812478.db2.gz NXJHZQRDQFTXEZ-VEEOACQBSA-N -1 0 577.464 5.914 1 0 KKAFRM COc1ccc(Cn2c3ccc(OCc4ccc(-c5ccccc5)cn4)c4c3c(c2CC(C)(C)C(=O)[O-])S[C@@H](C)C4)cc1 ZINC000026674217 561813351 /nfs/dbraw/zinc/81/33/51/561813351.db2.gz UWQLMKJMIAIDFU-QHCPKHFHSA-N -1 0 592.761 8.029 1 0 KKAFRM C/C(=C\C(=O)Nc1cc(F)ccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026724157 561815725 /nfs/dbraw/zinc/81/57/25/561815725.db2.gz XVWTYJZIXVQPGE-DARPEHSRSA-N -1 0 562.641 7.704 1 0 KKAFRM CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CC[C@@H](C(=O)[O-])O3)ccc(C(C)=O)c1OC ZINC000026726531 561816074 /nfs/dbraw/zinc/81/60/74/561816074.db2.gz YNTYPRJBSGTJFE-VWLOTQADSA-N -1 0 512.599 5.459 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(C(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000026735626 561817391 /nfs/dbraw/zinc/81/73/91/561817391.db2.gz UIISAWYHPZCXHX-IYMLNHPCSA-N -1 0 611.566 6.547 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc(C)c1/C=C/c1ccc(C(=O)[O-])cc1 ZINC000026817121 561820419 /nfs/dbraw/zinc/82/04/19/561820419.db2.gz FKLQBNFDLCZHGW-JLHYYAGUSA-N -1 0 536.455 8.836 1 0 KKAFRM COc1ccc(CCOC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@H](Oc2nc3c(c(OC)n2)CCC3)C(=O)[O-])cc1OC ZINC000026818687 561820662 /nfs/dbraw/zinc/82/06/62/561820662.db2.gz ZXXCWRYARSIMPM-GDLZYMKVSA-N -1 0 639.532 6.333 1 0 KKAFRM CCNC(=O)c1c(Cl)nc(CC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026836086 561824407 /nfs/dbraw/zinc/82/44/07/561824407.db2.gz INNFFYODICHZLT-UHFFFAOYSA-N -1 0 633.874 6.334 1 0 KKAFRM CCCCc1ccc(/C=C/S(=O)(=O)[N-]c2nc(-c3ccc(-c4ccccc4)cc3)c(CCC)s2)cc1 ZINC000026841210 561825879 /nfs/dbraw/zinc/82/58/79/561825879.db2.gz BNPGEAZLOCGDRW-QURGRASLSA-N -1 0 516.732 8.185 1 0 KKAFRM CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C(=O)[O-])c1ccc(OCc2ccccn2)cc1 ZINC000026949801 561828777 /nfs/dbraw/zinc/82/87/77/561828777.db2.gz WWFHJMOXDLBQPD-XMMPIXPASA-N -1 0 528.527 6.930 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 ZINC000026975116 561830817 /nfs/dbraw/zinc/83/08/17/561830817.db2.gz IXVVVBIIUONGJK-MVSFAKPFSA-N -1 0 621.715 6.244 1 0 KKAFRM Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000026995472 561833267 /nfs/dbraw/zinc/83/32/67/561833267.db2.gz HUJKFQNHUISVON-FBMGVBCBSA-N -1 0 558.666 8.035 1 0 KKAFRM O=C([O-])COc1cccc(CCc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000027104956 561839719 /nfs/dbraw/zinc/83/97/19/561839719.db2.gz JFOAQFNHOHOHAG-UHFFFAOYSA-N -1 0 535.440 7.295 1 0 KKAFRM CC(=O)N1[C@H](CC23CC4CC(CC(C4)C2)C3)C(=O)N(Cc2ccccc2F)c2ccccc2C(=O)C[C@H]1C(=O)CCC(=O)[O-] ZINC000027105687 561839955 /nfs/dbraw/zinc/83/99/55/561839955.db2.gz ZDDLRVXQQBULSB-SJOJHCRDSA-N -1 0 602.703 5.571 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cn1cc(C(=O)c2cccc(C(=O)[O-])c2)c2cc(OCc3ccccc3)ccc21 ZINC000027207568 561846172 /nfs/dbraw/zinc/84/61/72/561846172.db2.gz LULYDPFHEYWAJZ-UHFFFAOYSA-N -1 0 546.623 5.851 1 0 KKAFRM CN(CCc1ccccc1)C(=O)Cn1cc([C@@H](C(=O)[O-])c2ccccc2)c2c1cccc2OCc1ccccc1 ZINC000027209614 561846815 /nfs/dbraw/zinc/84/68/15/561846815.db2.gz BQBRLBFXMFVPSC-YTTGMZPUSA-N -1 0 532.640 6.138 1 0 KKAFRM CN(C)C(=O)CCS[C@@H](SCCC(=O)[O-])c1cccc(SCc2ccc3ccccc3n2)c1 ZINC000027213031 561847674 /nfs/dbraw/zinc/84/76/74/561847674.db2.gz TYSFBPNMAZWKNH-VWLOTQADSA-N -1 0 500.711 5.945 1 0 KKAFRM CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000027298769 561848772 /nfs/dbraw/zinc/84/87/72/561848772.db2.gz RAIIKBZUVAKIAR-UHFFFAOYSA-N -1 0 534.682 6.003 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000027306564 561849745 /nfs/dbraw/zinc/84/97/45/561849745.db2.gz LHVGZIIAYJDNGW-MOUBFTNZSA-N -1 0 585.701 5.153 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000027308431 561850213 /nfs/dbraw/zinc/85/02/13/561850213.db2.gz LHVGZIIAYJDNGW-ZYXITRSQSA-N -1 0 585.701 5.153 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000027429513 561859045 /nfs/dbraw/zinc/85/90/45/561859045.db2.gz JAKCRXOLNCFAGC-DHCSSMODSA-N -1 0 707.871 6.907 1 0 KKAFRM CCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027430379 561859251 /nfs/dbraw/zinc/85/92/51/561859251.db2.gz ZFRCSMMBLAERFG-RBISFHTESA-N -1 0 511.640 5.374 1 0 KKAFRM COc1ccc(COc2ccc3c4c(c(CSc5ccccc5C(=O)[O-])n3Cc3ccc(Cl)cc3)S[C@@H](C)Cc42)nc1 ZINC000027522786 561864583 /nfs/dbraw/zinc/86/45/83/561864583.db2.gz MPSKVTFVLLASBG-FQEVSTJZSA-N -1 0 617.192 8.353 1 0 KKAFRM C[C@H](OC[C@@H](c1ccccc1)N1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517595 561861308 /nfs/dbraw/zinc/86/13/08/561861308.db2.gz VONJODYKTRPIQC-MBSDFSHPSA-N -1 0 548.524 5.262 1 0 KKAFRM Cc1cc2nc(-c3ccc(CNC(=O)CN4c5ccccc5[C@H](CC(=O)[O-])c5ccccc5C4=O)cc3)[nH]c2cc1C ZINC000027519754 561863278 /nfs/dbraw/zinc/86/32/78/561863278.db2.gz OXSPAAKNBNEUFK-HHHXNRCGSA-N -1 0 558.638 5.730 1 0 KKAFRM CCCCNC(=O)Nc1ccc2c(c1)c(Cc1ccc(C(=O)[O-])cc1OC)cn2C(c1ccccc1)c1ccccc1 ZINC000027520505 561863722 /nfs/dbraw/zinc/86/37/22/561863722.db2.gz VPTFEBGOMXXXTH-UHFFFAOYSA-N -1 0 561.682 7.498 1 0 KKAFRM CCOC(=O)c1ccccc1CC[C@H](SC[C@@H](C)C(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000027523578 561865112 /nfs/dbraw/zinc/86/51/12/561865112.db2.gz BNXUHPAPHBXDAG-OKGRURTHSA-N -1 0 574.142 8.363 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2cccc(C3CCC3)n2)c1 ZINC000027524100 561865426 /nfs/dbraw/zinc/86/54/26/561865426.db2.gz IOGVHXVJWAEZRZ-IGCBCYMVSA-N -1 0 555.784 8.409 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(NC(C)=O)cc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550720 561867940 /nfs/dbraw/zinc/86/79/40/561867940.db2.gz XVGIMESPZDTPBA-WUEPQCPWSA-N -1 0 647.850 5.801 1 0 KKAFRM CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCCc1ccccc1 ZINC000027552418 561868332 /nfs/dbraw/zinc/86/83/32/561868332.db2.gz MIHZWSQPXITQHW-NYMHPOLGSA-N -1 0 594.774 6.139 1 0 KKAFRM CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC)O[P@](=O)([O-])CCCc1ccccc1 ZINC000027555798 561869438 /nfs/dbraw/zinc/86/94/38/561869438.db2.gz NEIVDWDBIVCGCM-KHUDPXOFSA-N -1 0 580.747 5.749 1 0 KKAFRM COc1ccc(Sc2ccc(OC)c(C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(=O)[O-])c(OC)c4C)c(OC)c3C)c2)cc1 ZINC000027559210 561870202 /nfs/dbraw/zinc/87/02/02/561870202.db2.gz VVHGYSDCEPSLRU-UHFFFAOYSA-N -1 0 674.768 7.859 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000027560895 561870592 /nfs/dbraw/zinc/87/05/92/561870592.db2.gz UAGHVEAKCHQZCA-MXVPUGLGSA-N -1 0 720.826 6.157 1 0 KKAFRM CC(=O)OC[C@@]1(CC(=O)[O-])CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000027621180 561872524 /nfs/dbraw/zinc/87/25/24/561872524.db2.gz XECJPIZMDWIMNV-JZQYXDLISA-N -1 0 518.691 5.580 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(C(F)(F)F)cc2)CC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000027636715 561874629 /nfs/dbraw/zinc/87/46/29/561874629.db2.gz DENIXQHFQMJEOU-UHFFFAOYSA-N -1 0 508.414 7.052 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(Cl)cc2Cl)CC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000027638461 561874882 /nfs/dbraw/zinc/87/48/82/561874882.db2.gz YISATTKRJJOJQO-UHFFFAOYSA-N -1 0 510.200 7.628 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc3cccc(Cl)c3)c3ccccc32)c2ccccc12 ZINC000027647947 561876076 /nfs/dbraw/zinc/87/60/76/561876076.db2.gz UETPWVPYPOXMAJ-UHFFFAOYSA-N -1 0 720.291 10.404 1 0 KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc2oc(-c3ccccc3C(N)=O)c(Br)c2c1 ZINC000027656408 561877670 /nfs/dbraw/zinc/87/76/70/561877670.db2.gz ANZBBDGMWLXNHM-UHFFFAOYSA-N -1 0 530.806 5.900 1 0 KKAFRM COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)Cc1c(Cl)cccc1Cl)C2 ZINC000027703632 561878406 /nfs/dbraw/zinc/87/84/06/561878406.db2.gz HPNFXYVEYRGQBY-QFIPXVFZSA-N -1 0 500.378 5.162 1 0 KKAFRM COc1ccc(COc2c(OC)ccc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000027708912 561879324 /nfs/dbraw/zinc/87/93/24/561879324.db2.gz PHKOHUWGKPCJNE-NDEPHWFRSA-N -1 0 551.639 5.761 1 0 KKAFRM COc1ccc(COc2c(OC)ccc3c2C[C@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000027708907 561879349 /nfs/dbraw/zinc/87/93/49/561879349.db2.gz PHKOHUWGKPCJNE-MUUNZHRXSA-N -1 0 551.639 5.761 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O[C@H](C)OC(=O)C(C)(C)C)O[C@H](C)OC(=O)C(C)(C)C)S(=O)(=O)[O-] ZINC000027727327 561881024 /nfs/dbraw/zinc/88/10/24/561881024.db2.gz LEZBAZZYWXDJPL-SXGLSJMNSA-N -1 0 664.839 8.887 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)C2CCCCC2)cc1 ZINC000027738583 561882122 /nfs/dbraw/zinc/88/21/22/561882122.db2.gz CPADDNAHPXAQNL-GDLZYMKVSA-N -1 0 570.690 5.675 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)C2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000027742620 561882601 /nfs/dbraw/zinc/88/26/01/561882601.db2.gz UGZHFBYZXYHYQD-BHWWHQGISA-N -1 0 617.746 6.691 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(=O)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1C)C(=O)[O-] ZINC000027842313 561885160 /nfs/dbraw/zinc/88/51/60/561885160.db2.gz VBWSBMOTOPMPHQ-FLQLJJEKSA-N -1 0 608.804 7.563 1 0 KKAFRM O=S(=O)([N-]c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1 ZINC000027847907 561885658 /nfs/dbraw/zinc/88/56/58/561885658.db2.gz MHHVHHXUMOLHOJ-OAQYLSRUSA-N -1 0 563.529 5.093 1 0 KKAFRM CC(C)(C)CC(C)(C)c1ccc2c(c1)OCCOCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCOCCO2 ZINC000027862495 561887298 /nfs/dbraw/zinc/88/72/98/561887298.db2.gz FEDNWWJUXJRVIU-UHFFFAOYSA-N -1 0 688.899 6.967 1 0 KKAFRM CC(C)(C)CC(C)(C)c1ccc2c(c1)OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027864323 561887565 /nfs/dbraw/zinc/88/75/65/561887565.db2.gz QPYDBTBRGDYLTE-UHFFFAOYSA-N -1 0 600.793 6.934 1 0 KKAFRM Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(Br)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027876800 561888693 /nfs/dbraw/zinc/88/86/93/561888693.db2.gz XSVZLCKQXSSFFR-UHFFFAOYSA-N -1 0 637.608 6.707 1 0 KKAFRM CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Sc3cccc(C(=O)[O-])c3)nc(NC3CC3)c12 ZINC000027890369 561889841 /nfs/dbraw/zinc/88/98/41/561889841.db2.gz VMCRMUULVXXIEU-UHFFFAOYSA-N -1 0 500.411 6.108 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOc1ncc(Br)cn1 ZINC000027897544 561890529 /nfs/dbraw/zinc/89/05/29/561890529.db2.gz FPWSONXCLFDXOT-UHFFFAOYSA-N -1 0 644.548 5.695 1 0 KKAFRM O=C(C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCc1ccc(OS(=O)(=O)[O-])cc1 ZINC000027992366 561893185 /nfs/dbraw/zinc/89/31/85/561893185.db2.gz SBGBBQVVEULHEA-FUPMGEMBSA-N -1 0 742.895 5.290 1 0 KKAFRM O=C([O-])CCCc1ccccc1Cc1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000027998491 561894227 /nfs/dbraw/zinc/89/42/27/561894227.db2.gz NZFLSJCYRKBNND-UHFFFAOYSA-N -1 0 502.655 6.820 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1 ZINC000028021123 561898445 /nfs/dbraw/zinc/89/84/45/561898445.db2.gz KSUSHJCKZKOCHT-SANMLTNESA-N -1 0 507.594 5.511 1 0 KKAFRM CS(=O)(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)[O-])c2c1 ZINC000028021662 561898473 /nfs/dbraw/zinc/89/84/73/561898473.db2.gz AZDMITMDQPSHOR-SANMLTNESA-N -1 0 589.674 5.080 1 0 KKAFRM CC(C)C[C@H](NC(=O)N1CCCCCC1)c1nc(C(=O)N[C@H](Cc2ccccn2)C(=O)[O-])c(Cc2cn(C)c3ccccc23)s1 ZINC000028085825 561898988 /nfs/dbraw/zinc/89/89/88/561898988.db2.gz LIZYIDYDUNCQCY-RRPNLBNLSA-N -1 0 630.815 5.719 1 0 KKAFRM COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)C(=O)[O-])cc1OC ZINC000028102412 561901771 /nfs/dbraw/zinc/90/17/71/561901771.db2.gz ZLBLURLMJHYVOI-VWLOTQADSA-N -1 0 503.555 5.374 1 0 KKAFRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000028125687 561904957 /nfs/dbraw/zinc/90/49/57/561904957.db2.gz OUJPKXOGQQVHGA-WOJBJXKFSA-N -1 0 580.300 5.272 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028131579 561905796 /nfs/dbraw/zinc/90/57/96/561905796.db2.gz HUDNYOPDDZZSAR-NLTDIZSMSA-N -1 0 569.871 7.765 1 0 KKAFRM CCCCCC[C@@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)[N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1CCCCCC ZINC000028241470 561910492 /nfs/dbraw/zinc/91/04/92/561910492.db2.gz QCGMECRGJWRHQO-WMPKNSHKSA-N -1 0 713.621 8.819 1 0 KKAFRM C[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000028345130 561914740 /nfs/dbraw/zinc/91/47/40/561914740.db2.gz UPWUKLAOHOIVIU-QFCDZOSHSA-N -1 0 527.790 6.738 1 0 KKAFRM CCc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028335062 561913193 /nfs/dbraw/zinc/91/31/93/561913193.db2.gz GLAVTOUIMCZWGE-VWLOTQADSA-N -1 0 597.583 8.254 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Br)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000028339097 561913721 /nfs/dbraw/zinc/91/37/21/561913721.db2.gz KSVJAWNTFXKRKY-PMACEKPBSA-N -1 0 625.644 5.669 1 0 KKAFRM CCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028339461 561913889 /nfs/dbraw/zinc/91/38/89/561913889.db2.gz MTTOAAIJCSWQGQ-HSZRJFAPSA-N -1 0 614.570 7.485 1 0 KKAFRM Cc1ccc([C@@H](C(=O)[O-])N2C(=O)c3cc(I)ccc3NC(=O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000028340584 561913980 /nfs/dbraw/zinc/91/39/80/561913980.db2.gz RANJWJKEEMFTKN-SFTDATJTSA-N -1 0 560.775 5.215 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000028342382 561914326 /nfs/dbraw/zinc/91/43/26/561914326.db2.gz MTPCBUJQUKLCOM-PMACEKPBSA-N -1 0 614.745 5.925 1 0 KKAFRM CCC(CC)C(=O)N(CC(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028348205 561915122 /nfs/dbraw/zinc/91/51/22/561915122.db2.gz HTVCIGKYCPVPPN-AREMUKBSSA-N -1 0 583.556 8.082 1 0 KKAFRM O=C([O-])c1cnc(N(C(=O)c2ccc(OCc3ccccc3C(F)(F)F)cc2)C2CCCCC2)s1 ZINC000028349126 561915293 /nfs/dbraw/zinc/91/52/93/561915293.db2.gz MXUVVESDORGYSS-UHFFFAOYSA-N -1 0 504.530 6.419 1 0 KKAFRM CCCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028356171 561916254 /nfs/dbraw/zinc/91/62/54/561916254.db2.gz QLEPVYXTIMUWHF-VWLOTQADSA-N -1 0 627.609 8.481 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000028357756 561916275 /nfs/dbraw/zinc/91/62/75/561916275.db2.gz LLGMUARWMWIJML-QHCPKHFHSA-N -1 0 539.459 7.175 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@](C)(Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000028455665 561923585 /nfs/dbraw/zinc/92/35/85/561923585.db2.gz KKXGQUOGYDUWOF-JGCGQSQUSA-N -1 0 513.634 7.034 1 0 KKAFRM Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@](C)(Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000028456444 561923825 /nfs/dbraw/zinc/92/38/25/561923825.db2.gz XLIQVPZXRKMXIC-LHEWISCISA-N -1 0 589.732 8.701 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c4ccccc4sc3Cc3ccccc3)cc2)cc1Br ZINC000028462862 561925618 /nfs/dbraw/zinc/92/56/18/561925618.db2.gz AEICCHBFXCKZBF-JGCGQSQUSA-N -1 0 619.580 9.663 1 0 KKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(Br)cc1 ZINC000028474111 561927500 /nfs/dbraw/zinc/92/75/00/561927500.db2.gz CZPQUWQZSDSUSX-UYRXBGFRSA-N -1 0 517.173 5.859 1 0 KKAFRM C[C@H](CCc1ccccc1)Nc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(C(=O)[O-])cc2C(=O)[O-])c1F ZINC000028524387 561930727 /nfs/dbraw/zinc/93/07/27/561930727.db2.gz DRXMFGPODRHEBG-MRXNPFEDSA-N -1 0 576.556 6.058 1 0 KKAFRM Cc1c2ccccc2oc1COc1ccc(-c2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1 ZINC000028563487 561935492 /nfs/dbraw/zinc/93/54/92/561935492.db2.gz CNVJYZPKUZXAML-MUUNZHRXSA-N -1 0 541.625 5.961 1 0 KKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(Cl)cc3)cc21 ZINC000028565396 561936043 /nfs/dbraw/zinc/93/60/43/561936043.db2.gz BYQLMKIVHJIOJT-LOSJGSFVSA-N -1 0 516.037 7.733 1 0 KKAFRM CC[C@H](C(=O)Nc1onc(C(C)C)c1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 ZINC000028569409 561937984 /nfs/dbraw/zinc/93/79/84/561937984.db2.gz XBRLJCMSNZNYPV-SFHVURJKSA-N -1 0 514.466 6.910 1 0 KKAFRM CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)[O-])C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000028638110 561941941 /nfs/dbraw/zinc/94/19/41/561941941.db2.gz PYEPYIQOBUHNRP-ZLPWZIBNSA-N -1 0 546.789 6.767 1 0 KKAFRM CNS(=O)(=O)c1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028708840 561950599 /nfs/dbraw/zinc/95/05/99/561950599.db2.gz BNDKLEVYJAZLIZ-UHFFFAOYSA-N -1 0 531.678 5.892 1 0 KKAFRM C[C@H]1CCC[C@H]1C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655820 561946708 /nfs/dbraw/zinc/94/67/08/561946708.db2.gz ZRUPEKXQFRVJGS-GBXCKJPGSA-N -1 0 544.652 5.555 1 0 KKAFRM CC(C)(C)c1ccc(-n2nnnc2CCC(=O)Nc2ccc(-c3ccc(OCC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000028705150 561948954 /nfs/dbraw/zinc/94/89/54/561948954.db2.gz STHREUBMJUPOSJ-UHFFFAOYSA-N -1 0 568.461 5.968 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1c(=O)n(-c1cccc(F)c1)c1ccccc21 ZINC000028707153 561949961 /nfs/dbraw/zinc/94/99/61/561949961.db2.gz BJKPZWFEYXVKOA-JWQCQUIFSA-N -1 0 574.624 5.991 1 0 in-vitro KKAFRM CC(C)C[C@@H](Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1Br)C(=O)[O-] ZINC000028758752 561957375 /nfs/dbraw/zinc/95/73/75/561957375.db2.gz WLFFRCBEFRDVAS-SSEXGKCCSA-N -1 0 648.391 9.761 1 0 KKAFRM COc1ccc(-c2cc(-c3ccc(-c4c5ccccc5oc4Cc4ccccc4)cc3)ccc2O[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000028758800 561957387 /nfs/dbraw/zinc/95/73/87/561957387.db2.gz XYBNMZHCGYRUIC-RWYGWLOXSA-N -1 0 630.740 10.108 1 0 KKAFRM CC(=O)Oc1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc54)cc3)cc2)ccc1C(=O)[O-] ZINC000028758776 561957404 /nfs/dbraw/zinc/95/74/04/561957404.db2.gz JGPIMECYDMFQMF-UHFFFAOYSA-N -1 0 528.538 6.158 1 0 KKAFRM CCCC[C@H](Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1Br)C(=O)[O-] ZINC000028756528 561956407 /nfs/dbraw/zinc/95/64/07/561956407.db2.gz PCKQHLYWSVLRRO-LJAQVGFWSA-N -1 0 648.391 9.905 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc2c(ccc(O[C@H](Cc3ccccc3)C(=O)[O-])c2Br)c1 ZINC000028757679 561956993 /nfs/dbraw/zinc/95/69/93/561956993.db2.gz YZDRUERGQOPMDI-RUZDIDTESA-N -1 0 596.399 8.326 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000028760330 561957863 /nfs/dbraw/zinc/95/78/63/561957863.db2.gz VTGHQKPNSWLGCL-UHFFFAOYSA-N -1 0 560.050 6.260 1 0 KKAFRM COc1ccc2c(c1)c(Cc1nc(-c3ccc(C(=O)[O-])cc3)cs1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028761201 561958098 /nfs/dbraw/zinc/95/80/98/561958098.db2.gz SXWQDBOMSBIMCY-UHFFFAOYSA-N -1 0 517.006 6.713 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C(=O)C(C)(C)C)C(C)C)c1C ZINC000028767536 561959920 /nfs/dbraw/zinc/95/99/20/561959920.db2.gz DIUGGNHRGFFKOH-UHFFFAOYSA-N -1 0 550.681 6.197 1 0 KKAFRM Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(N(Cc4ccc(C(=O)[O-])cc4)C(=O)c4ccccc4)cc3c2=O)cc1 ZINC000028767528 561959977 /nfs/dbraw/zinc/95/99/77/561959977.db2.gz WTGRFGZCUTYOST-UHFFFAOYSA-N -1 0 647.695 5.848 1 0 KKAFRM O=C([O-])CCCC[C@@H]1SC[C@@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769066 561960587 /nfs/dbraw/zinc/96/05/87/561960587.db2.gz NDLRMDXVGOEAPH-GIWBLDEGSA-N -1 0 582.358 6.147 1 0 KKAFRM COc1ccccc1C(=O)NCCc1c2ccccc2[nH]c1[C@@H](c1cccc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820905 561966060 /nfs/dbraw/zinc/96/60/60/561966060.db2.gz FPWGYCXSSYBIPF-LJAQVGFWSA-N -1 0 623.503 6.904 1 0 KKAFRM CCO[C@@H](Cc1ccc(CC[C@H](OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)[O-] ZINC000028822004 561966616 /nfs/dbraw/zinc/96/66/16/561966616.db2.gz RJBMVGPWWMWGNI-VMPREFPWSA-N -1 0 533.734 6.782 1 0 KKAFRM CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)Nc2ccccc2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822198 561966749 /nfs/dbraw/zinc/96/67/49/561966749.db2.gz UHLUDBXXFHXPIE-BBANNHEPSA-N -1 0 533.694 6.152 1 0 KKAFRM CN1c2ccc(NCc3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824035 561968747 /nfs/dbraw/zinc/96/87/47/561968747.db2.gz HRZJTVIOMJAYBJ-UHFFFAOYSA-N -1 0 543.711 8.596 1 0 KKAFRM CCN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824160 561969142 /nfs/dbraw/zinc/96/91/42/561969142.db2.gz GZBBPRPARPXAJB-UHFFFAOYSA-N -1 0 625.766 8.314 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824158 561969167 /nfs/dbraw/zinc/96/91/67/561969167.db2.gz RZTHFCYFRALHHL-UHFFFAOYSA-N -1 0 611.739 7.924 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824170 561969170 /nfs/dbraw/zinc/96/91/70/561969170.db2.gz KDDVTGZWRJHBHS-UHFFFAOYSA-N -1 0 661.746 8.804 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3cccc4ccccc43)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824178 561969175 /nfs/dbraw/zinc/96/91/75/561969175.db2.gz FIHASMHGRHRIGK-UHFFFAOYSA-N -1 0 643.809 8.938 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2)ccc1CCC(=O)[O-] ZINC000028825482 561970774 /nfs/dbraw/zinc/97/07/74/561970774.db2.gz IKOKYJMUUWLNCK-UHFFFAOYSA-N -1 0 507.384 5.978 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Oc3ccccc3)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825466 561970829 /nfs/dbraw/zinc/97/08/29/561970829.db2.gz KJSHBUOTUBSIJB-UHFFFAOYSA-N -1 0 579.571 7.770 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc(NC(=O)c3ccc4nc(-c5ccccc5)c(C5CCCCC5)nc4c3)cc2)o1 ZINC000028880168 561976647 /nfs/dbraw/zinc/97/66/47/561976647.db2.gz GACDRKGBGXBQSJ-UHFFFAOYSA-N -1 0 517.585 7.555 1 0 KKAFRM O=C(Nc1ccc(SC(F)(F)F)cc1)c1cc(I)cc(I)c1[O-] ZINC000028863400 561972223 /nfs/dbraw/zinc/97/22/23/561972223.db2.gz QJQPATZVSYSAQF-UHFFFAOYSA-N -1 0 565.092 5.466 1 0 KKAFRM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Oc2cc3ccccc3cc2C(=O)Oc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000028887044 561977731 /nfs/dbraw/zinc/97/77/31/561977731.db2.gz GGCQBMUHJDHDNW-UHFFFAOYSA-N -1 0 625.699 6.940 1 0 KKAFRM COCC(=O)N(C)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000028894070 561978746 /nfs/dbraw/zinc/97/87/46/561978746.db2.gz COXXOVDZYPMOTJ-UHFFFAOYSA-N -1 0 630.717 6.071 1 0 KKAFRM CN(C)C(=O)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000028894083 561978754 /nfs/dbraw/zinc/97/87/54/561978754.db2.gz VUZGFECHAHIDOL-UHFFFAOYSA-N -1 0 600.691 6.163 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1ccc2c(c1)c([C@@](O)(C(=O)[O-])C(F)(F)F)cn2Cc1ccccc1 ZINC000028961376 561984168 /nfs/dbraw/zinc/98/41/68/561984168.db2.gz ZBOGIGWGXQVSPC-GDLZYMKVSA-N -1 0 601.046 7.231 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1 ZINC000028973900 561986277 /nfs/dbraw/zinc/98/62/77/561986277.db2.gz XCUQHJJAOKKHJS-MFMCTBQISA-N -1 0 564.663 5.192 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973678 561986289 /nfs/dbraw/zinc/98/62/89/561986289.db2.gz PNXGQJYPAQEZOP-URLMMPGGSA-N -1 0 554.712 6.301 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc([N-]S(=O)(=O)CC(F)(F)F)cc1 ZINC000028978856 561988019 /nfs/dbraw/zinc/98/80/19/561988019.db2.gz XCEAPYBAZUFDTD-UHFFFAOYSA-N -1 0 537.507 5.371 1 0 KKAFRM O=C([O-])Cc1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c4cccc5C(F)(F)F)c3)cccc12 ZINC000028978878 561988062 /nfs/dbraw/zinc/98/80/62/561988062.db2.gz FMNHPFYLVZKAJK-UHFFFAOYSA-N -1 0 576.618 8.904 1 0 KKAFRM [O-]c1c(Br)c(Br)cc(Br)c1Oc1ccc(Br)cc1Br ZINC000029041864 561991164 /nfs/dbraw/zinc/99/11/64/561991164.db2.gz DQWSPMONGKASSJ-UHFFFAOYSA-N -1 0 580.690 6.997 1 0 KKAFRM O=S(=O)([N-]c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)c1cc(Cl)c(Cl)s1 ZINC000029042763 561991630 /nfs/dbraw/zinc/99/16/30/561991630.db2.gz WECMFTVZBFOXAK-UHFFFAOYSA-N -1 0 534.475 6.666 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)[O-])CCN(C(=O)Oc3ccccc3)C2)c1 ZINC000029045554 561992507 /nfs/dbraw/zinc/99/25/07/561992507.db2.gz YWFYFXSFZPEXLO-UHFFFAOYSA-N -1 0 538.600 6.405 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)OCC(C)C)CC[C@H]2CC(=O)[O-])c1 ZINC000029045539 561992533 /nfs/dbraw/zinc/99/25/33/561992533.db2.gz IMJNPIXMADXNLJ-AZGAKELHSA-N -1 0 520.626 5.944 1 0 KKAFRM CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@@H]1C3=O)[C@@H](O)[C@]2(C/C=C(/C)C(=O)[O-])OC4(C)C ZINC000029048618 561993707 /nfs/dbraw/zinc/99/37/07/561993707.db2.gz CXFIQFGADOTDPF-FFPQOWDBSA-N -1 0 632.794 7.111 1 0 KKAFRM COc1ccc(C(=O)CSc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)c(=O)[n-]2)cc1 ZINC000029058407 561995307 /nfs/dbraw/zinc/99/53/07/561995307.db2.gz HTIYXSBKZZAXKQ-UHFFFAOYSA-N -1 0 516.463 5.690 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029059402 561995497 /nfs/dbraw/zinc/99/54/97/561995497.db2.gz MJILFCJFAXMPDJ-UHFFFAOYSA-N -1 0 502.898 5.887 1 0 KKAFRM COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000029061867 561995853 /nfs/dbraw/zinc/99/58/53/561995853.db2.gz SWYWKDFTKVSZML-UHFFFAOYSA-N -1 0 647.503 5.765 1 0 KKAFRM Cc1oc(-c2cccc(Cl)c2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126158 561998442 /nfs/dbraw/zinc/99/84/42/561998442.db2.gz RFKDHOWUSOAINF-YTMVLYRLSA-N -1 0 573.089 6.881 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126759 561998917 /nfs/dbraw/zinc/99/89/17/561998917.db2.gz JTGDXZKJMAMXST-YTMVLYRLSA-N -1 0 573.089 6.881 1 0 KKAFRM C[C@@H]1COc2c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000029128327 562000816 /nfs/dbraw/zinc/00/08/16/562000816.db2.gz MVYUVXAGLVQPKP-IQGLISFBSA-N -1 0 548.014 5.357 1 0 KKAFRM Cc1ccccc1S(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000029130479 562002531 /nfs/dbraw/zinc/00/25/31/562002531.db2.gz RZNMNEGCHQNPLE-UHFFFAOYSA-N -1 0 677.266 8.635 1 0 KKAFRM O=C([O-])C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212536 562005947 /nfs/dbraw/zinc/00/59/47/562005947.db2.gz JQOTYKQFFPNESQ-LEAFIULHSA-N -1 0 641.596 5.738 1 0 KKAFRM CN(C(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000029213173 562006050 /nfs/dbraw/zinc/00/60/50/562006050.db2.gz IYPQGGAZCDEUJO-WUFINQPMSA-N -1 0 641.596 5.690 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc21 ZINC000029213736 562006145 /nfs/dbraw/zinc/00/61/45/562006145.db2.gz KIKOMYCCRMDKJS-IZLXSDGUSA-N -1 0 685.649 5.384 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000029213746 562006184 /nfs/dbraw/zinc/00/61/84/562006184.db2.gz DTJLPMZMBHNVNY-URLMMPGGSA-N -1 0 685.649 5.532 1 0 KKAFRM CN(C(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000029214888 562006408 /nfs/dbraw/zinc/00/64/08/562006408.db2.gz VSFBBOFLBYHSKG-IZZNHLLZSA-N -1 0 602.559 5.209 1 0 KKAFRM O=C([O-])[C@H](CCc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029215699 562006489 /nfs/dbraw/zinc/00/64/89/562006489.db2.gz DUAIOZPFMYOJPV-FTJBHMTQSA-N -1 0 602.559 5.257 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000029216635 562006631 /nfs/dbraw/zinc/00/66/31/562006631.db2.gz IDKSGHOHJZZRDZ-YYLJBTEUSA-N -1 0 668.618 6.850 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000029217914 562006818 /nfs/dbraw/zinc/00/68/18/562006818.db2.gz DXEVDZMNAQUVMY-OIFRRMEBSA-N -1 0 699.676 5.598 1 0 KKAFRM O=P(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)(Oc1ccccc1)Oc1ccccc1 ZINC000029322443 562013121 /nfs/dbraw/zinc/01/31/21/562013121.db2.gz AHIFMZUYRNPRJK-MHZLTWQESA-N -1 0 511.522 6.049 1 0 KKAFRM Cc1cccc(OP(=O)(CN[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])Oc2cccc(C)c2)c1 ZINC000029326435 562013528 /nfs/dbraw/zinc/01/35/28/562013528.db2.gz KOZPLTIUNNKDFB-LJAQVGFWSA-N -1 0 515.546 6.864 1 0 KKAFRM Cc1cc(C(=O)c2ccc(Cl)cc2)cc(C(=O)Nc2ccc(Br)cc2C(F)(F)F)c1[O-] ZINC000029235583 562009691 /nfs/dbraw/zinc/00/96/91/562009691.db2.gz XMXVPKATFZVMBE-UHFFFAOYSA-N -1 0 512.709 6.619 1 0 KKAFRM CCCCCCOc1ccccc1[C@@H](Oc1ccc(Cn2c(CCC)nc3c2nccc3C)cc1)C(=O)[O-] ZINC000029339924 562015067 /nfs/dbraw/zinc/01/50/67/562015067.db2.gz SSVGDFLGOLHOEM-GDLZYMKVSA-N -1 0 515.654 6.904 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000029347946 562016562 /nfs/dbraw/zinc/01/65/62/562016562.db2.gz DOIVJLSCACGVGR-JADMCXSXSA-N -1 0 616.663 6.400 1 0 KKAFRM COc1ccc2nc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)[O-])CC4)c3)sc2c1 ZINC000029389422 562017049 /nfs/dbraw/zinc/01/70/49/562017049.db2.gz DRZSYKAOSUWODQ-KPHCWXNXSA-N -1 0 587.807 8.365 1 0 KKAFRM CCCCCNC(=O)Nc1c([N-]S(=O)(=O)C(F)(F)F)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000029397956 562019100 /nfs/dbraw/zinc/01/91/00/562019100.db2.gz OKIVIQCORMCPET-UHFFFAOYSA-N -1 0 567.634 5.901 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1[C@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000029416611 562022971 /nfs/dbraw/zinc/02/29/71/562022971.db2.gz LMJYESWOZZRIIL-MGBGTMOVSA-N -1 0 624.133 7.881 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1c(C(C)=O)ccc(OCCCC(=O)[O-])c1CCC ZINC000029469008 562025094 /nfs/dbraw/zinc/02/50/94/562025094.db2.gz MSZAYVGTGJPGBY-UHFFFAOYSA-N -1 0 542.669 6.574 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOCCCOc1c(C(C)=O)ccc(OCC(=O)[O-])c1CCC ZINC000029474225 562026016 /nfs/dbraw/zinc/02/60/16/562026016.db2.gz CNXDZCJGGWJKPO-UHFFFAOYSA-N -1 0 544.641 5.420 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCOCCOc1c(C(C)=O)ccc(OCCCC(=O)[O-])c1CCC ZINC000029473660 562026057 /nfs/dbraw/zinc/02/60/57/562026057.db2.gz JMMNHGIPZMSETD-UHFFFAOYSA-N -1 0 544.641 5.420 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1nn(C)c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029478055 562026666 /nfs/dbraw/zinc/02/66/66/562026666.db2.gz OHCBAIWHQUWKQY-UHFFFAOYSA-N -1 0 574.703 5.119 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)ccc1Cc1nn(C)c2ccc(NC(=O)OC3CCCC3)cc12 ZINC000029479566 562026981 /nfs/dbraw/zinc/02/69/81/562026981.db2.gz LJGSYVAEVXDQCR-UHFFFAOYSA-N -1 0 597.093 5.436 1 0 KKAFRM Cc1c2ccccc2n(CCCCCCCC(=O)O[C@@H]2C[C@H]([NH2+][C@@H](CCc3ccccc3)C(=O)[O-])C(=O)N(CC(=O)[O-])c3ccccc32)c1-c1cccnc1 ZINC000029485706 562028245 /nfs/dbraw/zinc/02/82/45/562028245.db2.gz XGJIVXHBKQDYME-VHYZKNOSSA-N -1 0 744.889 7.502 1 0 KKAFRM Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029553991 562031684 /nfs/dbraw/zinc/03/16/84/562031684.db2.gz SVIJTQZVPOULGV-JWQCQUIFSA-N -1 0 531.674 6.419 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCCC(=O)[O-])CC[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 ZINC000029553664 562031712 /nfs/dbraw/zinc/03/17/12/562031712.db2.gz RTSHVURFERRWRF-LAKWLOBESA-N -1 0 555.844 7.520 1 0 KKAFRM CCCc1c(OCCCCOc2cc(O)c(C(C)=O)cc2CC)cccc1Oc1ccccc1C(=O)[O-] ZINC000029572058 562035835 /nfs/dbraw/zinc/03/58/35/562035835.db2.gz QJJNGLLEDGRPSC-UHFFFAOYSA-N -1 0 506.595 6.838 1 0 KKAFRM CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000029590262 562035838 /nfs/dbraw/zinc/03/58/38/562035838.db2.gz FJAQNRBDVKIIKK-XOEHLWFXSA-N -1 0 697.137 5.370 3 0 KKAFRM C[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000033505320 562037411 /nfs/dbraw/zinc/03/74/11/562037411.db2.gz ZUYRZWMQKAAKDO-GOSISDBHSA-N -1 0 514.582 5.186 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000033505328 562037418 /nfs/dbraw/zinc/03/74/18/562037418.db2.gz KIXUYPGQLHRJLT-KRWDZBQOSA-N -1 0 500.555 5.257 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@]2(C(=O)[O-])CCc3ccccc3C2)c(C)c1 ZINC000034638389 562039386 /nfs/dbraw/zinc/03/93/86/562039386.db2.gz ZWWWJKRNSRHDLG-JGCGQSQUSA-N -1 0 521.617 6.151 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(NC(=O)CCC(=O)[O-])cc2Br)ccc1O ZINC000034359673 562038842 /nfs/dbraw/zinc/03/88/42/562038842.db2.gz YWHRVGJEXWWYIP-UHFFFAOYSA-N -1 0 501.171 5.636 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)OCc2ccccc2)c1 ZINC000034717756 562040006 /nfs/dbraw/zinc/04/00/06/562040006.db2.gz FUTRFISBYXLQDO-UHFFFAOYSA-N -1 0 514.578 5.715 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5cccc(F)c5)no4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802374 562041877 /nfs/dbraw/zinc/04/18/77/562041877.db2.gz PBXGGFUTOUWSQP-UHFFFAOYSA-N -1 0 546.511 5.086 1 0 KKAFRM O=C(OCc1ccccc1)C(=C([O-])c1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1 ZINC000036143600 562048106 /nfs/dbraw/zinc/04/81/06/562048106.db2.gz FTQVBGJEUGWYCN-NJLCXNMFSA-N -1 0 586.644 5.468 1 0 KKAFRM O=C(Nc1ccc(Cl)c(Cl)c1)c1c([O-])n(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000036184640 562050286 /nfs/dbraw/zinc/05/02/86/562050286.db2.gz KFNUFTIZBUPDML-UHFFFAOYSA-N -1 0 578.066 7.507 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(Cl)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000035967389 562045959 /nfs/dbraw/zinc/04/59/59/562045959.db2.gz VVRRKSVMSIMNKI-ITNBXRHISA-N -1 0 621.302 10.151 1 0 KKAFRM CC(C)(C)c1ccc(Cn2c3c(cc(S(C)(=O)=O)cc3Br)c3c2[C@@H](CC(=O)[O-])CC3)cc1 ZINC000036190255 562050966 /nfs/dbraw/zinc/05/09/66/562050966.db2.gz NNSKWXISEYXEEY-MRXNPFEDSA-N -1 0 518.473 5.658 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOC(C)(C)C(=O)[O-])c3S1 ZINC000036222817 562051714 /nfs/dbraw/zinc/05/17/14/562051714.db2.gz YFLMASPIUUJYCM-QHCPKHFHSA-N -1 0 627.206 8.443 1 0 KKAFRM CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(Cl)c1 ZINC000036238178 562051876 /nfs/dbraw/zinc/05/18/76/562051876.db2.gz JGWYBBRQGZMTJS-UHFFFAOYSA-N -1 0 556.088 5.271 1 0 KKAFRM CC(C)(O)CCCS[C@H](CCC(C)(C)CC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000036268343 562052298 /nfs/dbraw/zinc/05/22/98/562052298.db2.gz FQTSHUBWTSTYKL-BEIAQELNSA-N -1 0 540.169 8.665 1 0 KKAFRM CN(C)C(=O)CCS[C@@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268372 562052472 /nfs/dbraw/zinc/05/24/72/562052472.db2.gz UEQKTSFDQCPOSN-VWLOTQADSA-N -1 0 519.088 5.885 1 0 KKAFRM O=C([O-])CCS[C@@H](CCc1ccccc1-c1nc[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268383 562052487 /nfs/dbraw/zinc/05/24/87/562052487.db2.gz NAVMHFVFGUAGPV-NDEPHWFRSA-N -1 0 559.091 7.134 1 0 KKAFRM CC[C@H](CS[C@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268458 562052501 /nfs/dbraw/zinc/05/25/01/562052501.db2.gz QVCMBMYBGUPCRP-ACSYHNTCSA-N -1 0 588.133 7.165 1 0 KKAFRM CC[C@H](CS[C@H](CCc1ccccc1C(N)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268426 562052507 /nfs/dbraw/zinc/05/25/07/562052507.db2.gz APPLGAQTEJYNIL-ACSYHNTCSA-N -1 0 563.119 7.084 1 0 KKAFRM CCCc1cc(C2=N[C@@H]3OCCC[C@H]3S2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000037866879 562062264 /nfs/dbraw/zinc/06/22/64/562062264.db2.gz VIVBCFKGUVZCLT-TUDQOENJSA-N -1 0 509.668 5.990 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3ncccc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1 ZINC000036350408 562058102 /nfs/dbraw/zinc/05/81/02/562058102.db2.gz QUYBNJXSAOXZHB-UHFFFAOYSA-N -1 0 538.047 8.201 1 0 KKAFRM CC(=O)Nc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000036350435 562058197 /nfs/dbraw/zinc/05/81/97/562058197.db2.gz SOOUSPCMYBGZNP-UHFFFAOYSA-N -1 0 594.111 8.765 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccc(Cl)nc2)cc1 ZINC000036351397 562058200 /nfs/dbraw/zinc/05/82/00/562058200.db2.gz YZMJQNHITATPJD-UHFFFAOYSA-N -1 0 556.062 5.804 1 0 KKAFRM Cc1cc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-] ZINC000037866949 562062366 /nfs/dbraw/zinc/06/23/66/562062366.db2.gz ZMAOAJYZTZDQLX-UHFFFAOYSA-N -1 0 541.387 5.896 1 0 KKAFRM O=C([O-])C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000036387347 562060225 /nfs/dbraw/zinc/06/02/25/562060225.db2.gz FBWJCNFPBHEHGQ-GOTSBHOMSA-N -1 0 506.382 6.021 3 0 KKAFRM COc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036387357 562060239 /nfs/dbraw/zinc/06/02/39/562060239.db2.gz GLYUFJOSWXIHAK-ZEQRLZLVSA-N -1 0 518.418 5.890 3 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036748840 562061089 /nfs/dbraw/zinc/06/10/89/562061089.db2.gz OMDFUCVEWRHQGW-WUFINQPMSA-N -1 0 654.692 6.242 1 0 KKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2cc(C(=O)c3ccccc3)ccc21 ZINC000036757872 562061257 /nfs/dbraw/zinc/06/12/57/562061257.db2.gz ULGQLBCXKKYQAT-UHFFFAOYSA-N -1 0 549.667 7.689 1 0 KKAFRM CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)[O-] ZINC000038148347 562065786 /nfs/dbraw/zinc/06/57/86/562065786.db2.gz IECPWNUMDGFDKC-NJYSJJNCSA-N -1 0 516.719 5.666 1 0 KKAFRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)CCN1c1nc2c(cc(C(F)(F)F)cc2-c2cc(F)c(F)c(F)c2)[nH]1 ZINC000038157609 562069275 /nfs/dbraw/zinc/06/92/75/562069275.db2.gz MUXHRGJGWXXYBF-LLVKDONJSA-N -1 0 569.893 6.128 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CSCC(=O)[O-])c3S1 ZINC000038158075 562070095 /nfs/dbraw/zinc/07/00/95/562070095.db2.gz JBJBKBZKXFGRLC-NRFANRHFSA-N -1 0 601.193 8.339 1 0 KKAFRM O=C([O-])[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(Cc2ccncc2)C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000038377645 562071513 /nfs/dbraw/zinc/07/15/13/562071513.db2.gz GCTUOYWCMFLXSC-FTJBHMTQSA-N -1 0 672.306 6.549 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377656 562071630 /nfs/dbraw/zinc/07/16/30/562071630.db2.gz SAGXSWWCECPDLO-DXPJPUQTSA-N -1 0 666.343 6.726 1 0 KKAFRM Cc1ccc(OCc2ccc(CCC(=O)[O-])c(C(=O)N[C@H](CC(C)C)c3cc(C)cc(C)c3)c2)c(C)c1 ZINC000038578509 562072147 /nfs/dbraw/zinc/07/21/47/562072147.db2.gz CYIIEWIFYTVIKR-GDLZYMKVSA-N -1 0 501.667 7.034 1 0 KKAFRM CCOc1cc(F)c(C[C@@H](CC)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F ZINC000040849031 562080525 /nfs/dbraw/zinc/08/05/25/562080525.db2.gz PPXZIVISQNAYKI-KYIDBCFKSA-N -1 0 525.636 6.415 1 0 KKAFRM COc1ccc2c(c1)nc(-c1nc(C(C)C)cs1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCCCC(=O)N2C1 ZINC000042805391 562089195 /nfs/dbraw/zinc/08/91/95/562089195.db2.gz CPLPWJYHYNKYQG-SMLYOSRCSA-N -1 0 632.783 5.709 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C(=O)Nc2nccs2)cc1 ZINC000040936647 562085257 /nfs/dbraw/zinc/08/52/57/562085257.db2.gz FZUTXAXDNREPQS-UHFFFAOYSA-N -1 0 521.686 5.537 1 0 KKAFRM CCCCC1(CCCC)OC(c2ccc(Cl)cc2Cl)=NN1C(=O)[N-]C(=O)c1c(F)cccc1F ZINC000040979994 562087340 /nfs/dbraw/zinc/08/73/40/562087340.db2.gz YGNIKJDUBFQLAC-UHFFFAOYSA-N -1 0 512.384 6.892 1 0 KKAFRM COc1c([O-])c(Oc2ccc([C@@H]3COc4cc(O)ccc4C3)c(OC)c2O)ccc1[C@@H]1COc2cc(O)ccc2C1 ZINC000085851902 560066557 /nfs/dbraw/zinc/06/65/57/560066557.db2.gz YNSOGFXHKXTWBP-PMACEKPBSA-N -1 0 558.583 5.756 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@@]23CO[C@@]1(O)C[C@@H]1C=CC[C@]4(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]5(C)[C@H]4CC2)[C@H]13 ZINC000085530793 560073386 /nfs/dbraw/zinc/07/33/86/560073386.db2.gz WPIFEODOYCVBOU-FOYQEKSESA-N -1 0 524.786 7.598 1 0 biogenic,in-vitro KKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000003979045 560192944 /nfs/dbraw/zinc/19/29/44/560192944.db2.gz YDHTWQABZAECEX-HOUAAIJWSA-N -1 0 500.764 7.884 1 0 in-vitro KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CNc1nc2ccc(-c3cccc(C(=O)[O-])c3)cc2s1 ZINC000043023237 562644981 /nfs/dbraw/zinc/64/49/81/562644981.db2.gz HYJSTCZABVAHEJ-UHFFFAOYSA-N -1 0 538.456 8.359 1 0 KKAFRM COC(=O)c1c(O)cccc1OCCCC[NH2+]CCCc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c2ccccc12 ZINC000043022749 562645004 /nfs/dbraw/zinc/64/50/04/562645004.db2.gz AIRUQVBYGDPZCA-UHFFFAOYSA-N -1 0 614.651 5.161 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CCc1nc2cc(-c3cccc(C(=O)[O-])c3)ccc2o1 ZINC000043063208 562645268 /nfs/dbraw/zinc/64/52/68/562645268.db2.gz BGPRZEDIQYHRBT-UHFFFAOYSA-N -1 0 521.400 8.063 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C\Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3cc(Br)ccc32)cc1 ZINC000043078744 562645815 /nfs/dbraw/zinc/64/58/15/562645815.db2.gz RGSJBVKHFLVYLN-FPLPWBNLSA-N -1 0 597.465 5.897 1 0 KKAFRM O=C(CC[C@H]1CSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@@H](C(=O)[O-])OC2 ZINC000043119865 562646054 /nfs/dbraw/zinc/64/60/54/562646054.db2.gz VFSBGEYSEWZWLR-DQEYMECFSA-N -1 0 505.661 5.681 1 0 KKAFRM CC(=O)N1CCC[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000043153311 562646418 /nfs/dbraw/zinc/64/64/18/562646418.db2.gz ONMFPOSJGZYMQU-QHCPKHFHSA-N -1 0 571.183 7.277 1 0 KKAFRM CC[C@](NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC000043178769 562646685 /nfs/dbraw/zinc/64/66/85/562646685.db2.gz BQVANSPVKXLVDU-MUUNZHRXSA-N -1 0 507.508 6.558 1 0 KKAFRM CCCCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1C(F)(F)F)O2 ZINC000043524572 562649095 /nfs/dbraw/zinc/64/90/95/562649095.db2.gz GEQQWJZHQBMTGF-NEKDWFFYSA-N -1 0 565.654 6.866 1 0 KKAFRM [O-]c1c(Br)cc(Br)c(Br)c1Oc1cc(Br)ccc1O ZINC000043544041 562649623 /nfs/dbraw/zinc/64/96/23/562649623.db2.gz FPPWQVRIMLACOZ-UHFFFAOYSA-N -1 0 517.793 5.940 1 0 KKAFRM CCOc1cc(NC(=O)Nc2ccccc2C)ccc1-c1cccn(Cc2ccc([C@@H](C)CC(=O)[O-])cc2)c1=O ZINC000043552668 562649630 /nfs/dbraw/zinc/64/96/30/562649630.db2.gz JEBRWBXEAHSNTF-QFIPXVFZSA-N -1 0 539.632 6.493 1 0 KKAFRM CC(C)n1c2ccc(Cl)cc2c(CCOc2ccc(C(=O)[O-])cc2)c1CCNS(=O)(=O)Cc1ccccc1 ZINC000044018498 562651541 /nfs/dbraw/zinc/65/15/41/562651541.db2.gz UZXQZSFDFFKVEO-UHFFFAOYSA-N -1 0 555.096 5.857 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044053021 562651869 /nfs/dbraw/zinc/65/18/69/562651869.db2.gz UMZQMGHTQHUFHI-JGNKLCKRSA-N -1 0 616.733 9.825 1 0 KKAFRM CC(C)c1cc(C(C)C)c(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc([C@@H](C)C(=O)[O-])cc32)c(C(C)C)c1 ZINC000044069399 562652072 /nfs/dbraw/zinc/65/20/72/562652072.db2.gz CXUNYDBSYPMDGW-LJQANCHMSA-N -1 0 540.125 8.243 1 0 KKAFRM CCCCc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nnn(COC(=O)C(C)(C)C)n2)cc1 ZINC000044146303 562652455 /nfs/dbraw/zinc/65/24/55/562652455.db2.gz MADBGWBBNSHWOW-UHFFFAOYSA-N -1 0 566.662 5.993 1 0 KKAFRM CCCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1O ZINC000044265658 562652779 /nfs/dbraw/zinc/65/27/79/562652779.db2.gz DPBWQVHBAQNVIC-IIFMTLDPSA-N -1 0 542.801 7.411 1 0 KKAFRM CC(C)=CCC/C(C)=C/Cc1c2c(c([O-])c3c(=O)c4c(oc13)-c1c3c(c(O)cc1O)OC(C)(C)[C@@H]3C4)C=CC(C)(C)O2 ZINC000044280724 562652956 /nfs/dbraw/zinc/65/29/56/562652956.db2.gz QBDLPAZRIQKEQK-OJHVLRHSSA-N -1 0 570.682 7.807 1 0 KKAFRM Cc1c(F)cccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000044360683 562655628 /nfs/dbraw/zinc/65/56/28/562655628.db2.gz TVEYZMJRXVGMPY-PMACEKPBSA-N -1 0 557.981 5.690 1 0 KKAFRM COc1ccc(S(=O)(=O)Nc2ccc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)C(=O)[O-])cc2)cc1 ZINC000044360742 562655638 /nfs/dbraw/zinc/65/56/38/562655638.db2.gz MVHBPVBPUSMSRL-UHFFFAOYSA-N -1 0 576.471 5.151 1 0 KKAFRM O=C([O-])C1CCN(c2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1 ZINC000044360627 562655649 /nfs/dbraw/zinc/65/56/49/562655649.db2.gz CNOBXKONCGFNDV-UHFFFAOYSA-N -1 0 527.927 6.175 1 0 KKAFRM [O-]c1c(Br)ccc(Br)c1Oc1c(O)cc(Br)c(Br)c1Br ZINC000044388314 562656299 /nfs/dbraw/zinc/65/62/99/562656299.db2.gz DBYWUMCJCNTOPW-UHFFFAOYSA-N -1 0 596.689 6.703 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Br)CC1 ZINC000044386427 562655915 /nfs/dbraw/zinc/65/59/15/562655915.db2.gz XSDHSMKOFUDFTA-UHFFFAOYSA-N -1 0 573.366 5.679 1 0 KKAFRM COc1cc(Br)cc(Br)c1Oc1c(Br)ccc(Br)c1[O-] ZINC000044388212 562656327 /nfs/dbraw/zinc/65/63/27/562656327.db2.gz DXBCEQCSLIDLMV-UHFFFAOYSA-N -1 0 531.820 6.243 1 0 KKAFRM CC(C)c1onc(COc2c(F)cc(F)cc2F)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404382 562656414 /nfs/dbraw/zinc/65/64/14/562656414.db2.gz DLJAMJCELUPGHQ-VOTSOKGWSA-N -1 0 557.952 7.895 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc4c(c3)CCCC4=O)cc2)cc1OC(F)(F)F)C(=O)[O-] ZINC000044404614 562656484 /nfs/dbraw/zinc/65/64/84/562656484.db2.gz XGYYIKARAMMGNV-HHHXNRCGSA-N -1 0 591.604 5.738 1 0 KKAFRM CC(C)c1onc(COc2cccc3ccccc32)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044405523 562656717 /nfs/dbraw/zinc/65/67/17/562656717.db2.gz FFCPZTKDXKAQNP-BUHFOSPRSA-N -1 0 554.042 8.631 1 0 KKAFRM COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-] ZINC000044417142 562657083 /nfs/dbraw/zinc/65/70/83/562657083.db2.gz CJMHKPWFQAETJT-JPBBCIATSA-N -1 0 502.736 5.829 1 0 KKAFRM CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OS(=O)(=O)[O-])C4(C)C ZINC000044417790 562657191 /nfs/dbraw/zinc/65/71/91/562657191.db2.gz VDRFCZKVGJGFGL-MHJCRUCLSA-N -1 0 522.792 6.967 1 0 KKAFRM Cc1ccc(-c2nnsc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000044430329 562657484 /nfs/dbraw/zinc/65/74/84/562657484.db2.gz UDTVMTVICUTHFZ-UHFFFAOYSA-N -1 0 544.485 6.845 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000045373642 562662279 /nfs/dbraw/zinc/66/22/79/562662279.db2.gz GAGNYMUXGIUCTR-WJOKGBTCSA-N -1 0 516.641 7.553 1 0 KKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000045374953 562662331 /nfs/dbraw/zinc/66/23/31/562662331.db2.gz FJAJNPTVVSIQEH-AREMUKBSSA-N -1 0 513.556 6.819 1 0 KKAFRM CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)[O-])ccc21 ZINC000045506275 562662820 /nfs/dbraw/zinc/66/28/20/562662820.db2.gz LVPGETDKDGGUPG-UHFFFAOYSA-N -1 0 529.633 6.545 1 0 KKAFRM COc1ccc(-c2nc(SCc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000049035153 562663507 /nfs/dbraw/zinc/66/35/07/562663507.db2.gz OQTSHZLNLKMCQW-UHFFFAOYSA-N -1 0 507.633 6.558 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)oc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049068395 562663964 /nfs/dbraw/zinc/66/39/64/562663964.db2.gz ZIBSWHKBQDUZFU-UHFFFAOYSA-N -1 0 520.969 6.276 1 0 KKAFRM O=C([O-])CCCCCCCCCCOc1ccc(C(c2ccc(O)cc2)=C2C3CCCC2CCC3)cc1 ZINC000049068239 562663993 /nfs/dbraw/zinc/66/39/93/562663993.db2.gz RQGGCTXOAMHCAI-UHFFFAOYSA-N -1 0 504.711 8.769 1 0 KKAFRM Cc1ccc(Sc2ccc(-c3ccc(CC[C@@]([NH3+])(CO)COP(=O)([O-])[O-])c(Cl)c3)c(F)c2)cc1 ZINC000049125750 562664726 /nfs/dbraw/zinc/66/47/26/562664726.db2.gz RKQWELQMLDKMRW-XMMPIXPASA-N -1 0 525.966 5.337 1 0 KKAFRM O=C([O-])C1CCC(CNC(=O)c2ccc(/C=C/C(=O)N3CCc4ccccc4[C@H]3c3ccc4c(c3)OCO4)cc2)CC1 ZINC000049605338 562665753 /nfs/dbraw/zinc/66/57/53/562665753.db2.gz OCQRYZFQTHZTRO-BHHCHPRUSA-N -1 0 566.654 5.224 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1OC ZINC000049694617 562669541 /nfs/dbraw/zinc/66/95/41/562669541.db2.gz TUWKXYAHIYRCAT-MHZLTWQESA-N -1 0 533.631 5.351 1 0 KKAFRM COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)sc2n1 ZINC000049709466 562671335 /nfs/dbraw/zinc/67/13/35/562671335.db2.gz DHBRPNVHJRZIDB-NRFANRHFSA-N -1 0 537.667 5.198 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccncn4)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049723129 562672944 /nfs/dbraw/zinc/67/29/44/562672944.db2.gz YPRSPLPXXIOXHG-UHFFFAOYSA-N -1 0 528.027 7.568 1 0 KKAFRM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2/C=C/C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000049745529 562673896 /nfs/dbraw/zinc/67/38/96/562673896.db2.gz FUNOATWNOWEEOD-SOFGYWHQSA-N -1 0 524.445 5.304 1 0 KKAFRM CCCCC1=NC(Cl)=C(C(=O)OCC)[C@H](c2ccccc2)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049748475 562674704 /nfs/dbraw/zinc/67/47/04/562674704.db2.gz CXBDONQYBUGBPV-NDEPHWFRSA-N -1 0 531.052 7.211 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@H](O)c3ccc(F)cc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049756162 562674841 /nfs/dbraw/zinc/67/48/41/562674841.db2.gz NDTBWCVEHWJXFC-NDEPHWFRSA-N -1 0 584.153 8.138 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCC(=O)c3ccc(F)cc3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049756994 562675364 /nfs/dbraw/zinc/67/53/64/562675364.db2.gz MQYFYSIYLNGLBK-UHFFFAOYSA-N -1 0 582.137 8.288 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)[N-]S(=O)(=O)c3ccccc3)cc(C)c2O1 ZINC000049762440 562676559 /nfs/dbraw/zinc/67/65/59/562676559.db2.gz CMVODJKASJSWHE-WJTLHKOHSA-N -1 0 579.803 8.755 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000049762701 562676684 /nfs/dbraw/zinc/67/66/84/562676684.db2.gz DQWGMRXSRPFHGM-ZFBAEGHFSA-N -1 0 540.620 6.046 1 0 KKAFRM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049771430 562678119 /nfs/dbraw/zinc/67/81/19/562678119.db2.gz JHFMJPGATWYJDY-HHHXNRCGSA-N -1 0 677.307 9.632 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-] ZINC000049774737 562678724 /nfs/dbraw/zinc/67/87/24/562678724.db2.gz ACQYFJQQVQUSCP-UHFFFAOYSA-N -1 0 557.521 7.045 1 0 KKAFRM COc1ccc(-c2nc(CSc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049775280 562678951 /nfs/dbraw/zinc/67/89/51/562678951.db2.gz WZBWFJVEPYXCNY-UHFFFAOYSA-N -1 0 528.051 6.903 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c4ccccc34)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049775414 562679079 /nfs/dbraw/zinc/67/90/79/562679079.db2.gz YWSWRJYWMJHYJW-UHFFFAOYSA-N -1 0 565.569 7.700 1 0 KKAFRM O=C([O-])c1ccccc1OCCc1c2cc(Cl)ccc2n(C(c2ccccc2)c2ccccc2)c1CCNS(=O)(=O)Cc1ccccc1 ZINC000049776295 562679333 /nfs/dbraw/zinc/67/93/33/562679333.db2.gz LIPPGTVLRFJFOC-UHFFFAOYSA-N -1 0 679.238 7.914 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(Cc3ccc(Cl)c(Cl)c3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049776312 562679374 /nfs/dbraw/zinc/67/93/74/562679374.db2.gz SXACDGKLKPLNLK-UHFFFAOYSA-N -1 0 672.030 7.632 1 0 KKAFRM O=S(=O)([N-]C[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1c(F)cccc1F ZINC000049777167 562679735 /nfs/dbraw/zinc/67/97/35/562679735.db2.gz XPFZJZJNCLEILX-HWIKTNENSA-N -1 0 604.043 5.353 1 0 KKAFRM Cc1ccc(F)c(OC(=O)N(CC(=O)[O-])[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000049777805 562680552 /nfs/dbraw/zinc/68/05/52/562680552.db2.gz GFPVWKKFLJHIIK-SFHVURJKSA-N -1 0 538.959 6.668 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)cc1 ZINC000049780465 562681761 /nfs/dbraw/zinc/68/17/61/562681761.db2.gz NWBMPYUVBPJUHZ-SFHVURJKSA-N -1 0 536.968 6.229 1 0 KKAFRM O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049780627 562682034 /nfs/dbraw/zinc/68/20/34/562682034.db2.gz CKCWPAAEMGWHFL-UHFFFAOYSA-N -1 0 608.547 6.451 1 0 KKAFRM C[C@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3)c2N(Cc2ccc3ccccc3c2)C1=O ZINC000049780891 562682488 /nfs/dbraw/zinc/68/24/88/562682488.db2.gz ZKSWYOPZGOHBCQ-IQGVVSCOSA-N -1 0 531.033 5.662 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049781316 562682963 /nfs/dbraw/zinc/68/29/63/562682963.db2.gz UQBCHBGORUKRAW-UHFFFAOYSA-N -1 0 534.996 6.319 1 0 KKAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 ZINC000049784058 562683404 /nfs/dbraw/zinc/68/34/04/562683404.db2.gz JFLOLDKHVUOMJE-JLKMOJGBSA-N -1 0 560.631 5.286 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccccc3F)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049784990 562683885 /nfs/dbraw/zinc/68/38/85/562683885.db2.gz NYTHESMLTVTFDW-USDTVRPUSA-N -1 0 548.595 5.416 1 0 KKAFRM O=C([O-])c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccccc3F)C3=C(N=4)c4ccccc4CC3)o2)c1 ZINC000049784991 562683889 /nfs/dbraw/zinc/68/38/89/562683889.db2.gz NYTHESMLTVTFDW-PKYOQBLNSA-N -1 0 548.595 5.416 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049785899 562684161 /nfs/dbraw/zinc/68/41/61/562684161.db2.gz ZETNBIOYGMKTTP-UHFFFAOYSA-N -1 0 514.361 6.675 1 0 KKAFRM Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049803057 562686005 /nfs/dbraw/zinc/68/60/05/562686005.db2.gz IDHIDEDZMRDHGQ-UHFFFAOYSA-N -1 0 542.632 6.921 1 0 KKAFRM C[C@H]1c2cccc(/C=C/C(=O)[N-]S(=O)(=O)c3cc(F)c(F)cc3F)c2N(Cc2ccc3ccccc3c2)C1=O ZINC000049803075 562686041 /nfs/dbraw/zinc/68/60/41/562686041.db2.gz ULUPWQAXYGQRPT-FLVLSHQESA-N -1 0 550.558 5.426 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cc2nnc(C(F)(F)F)o2)cc1 ZINC000049808296 562686649 /nfs/dbraw/zinc/68/66/49/562686649.db2.gz JTVKEJQLTFXNEW-UHFFFAOYSA-N -1 0 545.605 5.821 1 0 KKAFRM O=C([O-])CCc1ccc(Cc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049823201 562687098 /nfs/dbraw/zinc/68/70/98/562687098.db2.gz XCQRQNXSOREDFV-UHFFFAOYSA-N -1 0 677.266 8.203 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CCOCC2)cc1 ZINC000049833383 562687745 /nfs/dbraw/zinc/68/77/45/562687745.db2.gz CWBKTCRDCDPEFM-UHFFFAOYSA-N -1 0 702.273 6.046 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccccn3)n4C3CCCCC3)CCC2)cc1 ZINC000049852116 562688805 /nfs/dbraw/zinc/68/88/05/562688805.db2.gz BFUKUGCTUIVTRG-SFQUDFHCSA-N -1 0 563.658 5.993 1 0 KKAFRM Cn1cccc1-c1nc2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2n1C1CCCCC1 ZINC000049852133 562688830 /nfs/dbraw/zinc/68/88/30/562688830.db2.gz AYICDACQBONIRV-SFQUDFHCSA-N -1 0 565.674 5.936 1 0 KKAFRM C[C@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000049853636 562689043 /nfs/dbraw/zinc/68/90/43/562689043.db2.gz GKQYYVGEGDRSBE-GOTSBHOMSA-N -1 0 637.209 7.854 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nc7ccccc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049853701 562689058 /nfs/dbraw/zinc/68/90/58/562689058.db2.gz XEUJIKABFNCODT-KCDITZHISA-N -1 0 540.792 8.530 1 0 KKAFRM CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Br)cc(C(=O)n2[n-]c(=O)c3cc(Br)ccc32)c1 ZINC000049872333 562689948 /nfs/dbraw/zinc/68/99/48/562689948.db2.gz BOOFVNCUYLAPFK-UHFFFAOYSA-N -1 0 599.688 5.434 1 0 KKAFRM CC(C)c1cc2c(cc1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000049872348 562689955 /nfs/dbraw/zinc/68/99/55/562689955.db2.gz YNHSMWKATNDKJF-XSBVVTFOSA-N -1 0 570.574 8.587 1 0 KKAFRM O=C([O-])Cc1nc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)no1 ZINC000049898249 562692372 /nfs/dbraw/zinc/69/23/72/562692372.db2.gz VVXFKISHFJEADB-UHFFFAOYSA-N -1 0 683.230 6.780 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCn2ccnn2)cc1 ZINC000049899507 562693195 /nfs/dbraw/zinc/69/31/95/562693195.db2.gz DHTXIPPTVDSQTF-UHFFFAOYSA-N -1 0 684.218 6.006 1 0 KKAFRM O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049917572 562693548 /nfs/dbraw/zinc/69/35/48/562693548.db2.gz KDGHLQNWPWACRF-UHFFFAOYSA-N -1 0 646.201 7.302 1 0 KKAFRM CC[C@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000049918227 562694608 /nfs/dbraw/zinc/69/46/08/562694608.db2.gz CSMUMGBDUUSWKP-UKILVPOCSA-N -1 0 643.274 9.365 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(O[C@@H](Cc3ccccc3)C(=O)[O-])c(Br)c2)cc1 ZINC000049938553 562695382 /nfs/dbraw/zinc/69/53/82/562695382.db2.gz HMJWFQLALKQLPM-MHZLTWQESA-N -1 0 701.333 9.603 1 0 KKAFRM COc1c(Br)cc(Br)cc1Oc1c(Br)cc(Br)c(Br)c1[O-] ZINC000049942461 562695487 /nfs/dbraw/zinc/69/54/87/562695487.db2.gz FNTANFZTPSDZRK-UHFFFAOYSA-N -1 0 610.716 7.006 1 0 KKAFRM Cc1c2ccc(NC(=O)COc3ccccc3-c3ccc(CC4CCCCC4)c(F)c3F)cc2oc(=O)c1CC(=O)[O-] ZINC000049942609 562695567 /nfs/dbraw/zinc/69/55/67/562695567.db2.gz GAASGGSAYROUMY-UHFFFAOYSA-N -1 0 575.608 6.814 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053226754 562696617 /nfs/dbraw/zinc/69/66/17/562696617.db2.gz IRMCJWPVHRXDEJ-QRVIBDJDSA-N -1 0 554.418 5.971 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(C(c3ccccc3)c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053229884 562696646 /nfs/dbraw/zinc/69/66/46/562696646.db2.gz ZJPZIPWKWLYZBT-USHMODERSA-N -1 0 551.620 6.798 1 0 KKAFRM CCCC[C@H](Sc1nc(OCCc2ccc(OC)cc2)cc(OCCc2ccc(OC)cc2)n1)C(=O)[O-] ZINC000053230178 562696688 /nfs/dbraw/zinc/69/66/88/562696688.db2.gz YMGRSYOQSOWXTM-DEOSSOPVSA-N -1 0 526.655 5.472 1 0 KKAFRM COc1cc(/C=C2\SC(=O)N(Cc3c(F)c(F)c(F)c(F)c3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053313568 562697639 /nfs/dbraw/zinc/69/76/39/562697639.db2.gz XLCOECIKOJKXCN-NVMNQCDNSA-N -1 0 565.472 5.904 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)c(OCc3ccc4ccccc4n3)c(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12 ZINC000058538276 562698823 /nfs/dbraw/zinc/69/88/23/562698823.db2.gz AJCUVQGKLQCMGU-UHFFFAOYSA-N -1 0 659.492 8.175 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)c(O)c(-c3ccc(OCc4ccc5ccccc5n4)cc3)oc12 ZINC000058568795 562699533 /nfs/dbraw/zinc/69/95/33/562699533.db2.gz JDVPQTWAIAEWGP-UHFFFAOYSA-N -1 0 518.319 5.754 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1c(Cl)cccc1Cl ZINC000058583534 562700119 /nfs/dbraw/zinc/70/01/19/562700119.db2.gz VBQLKAJJKQAJIM-QPTUXGOLSA-N -1 0 628.292 5.371 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000059278004 562701939 /nfs/dbraw/zinc/70/19/39/562701939.db2.gz IJEDXYOYRFKMHV-MHZLTWQESA-N -1 0 564.570 7.932 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccs2)=NO1 ZINC000059630241 562702087 /nfs/dbraw/zinc/70/20/87/562702087.db2.gz UZMPGYHTIJXBAW-BVZFJXPGSA-N -1 0 546.432 5.002 1 0 KKAFRM Cc1nc2c(s1)CCCn1c3cc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)ccc3c(C3CCCCC3)c1-2 ZINC000059826645 562702455 /nfs/dbraw/zinc/70/24/55/562702455.db2.gz CNXINHUOQAPAEW-QGOAFFKASA-N -1 0 636.818 7.846 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC(F)(F)F)cc1 ZINC000060327073 562702708 /nfs/dbraw/zinc/70/27/08/562702708.db2.gz RPMDUAUHROOADT-OAQYLSRUSA-N -1 0 601.021 7.229 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC(F)(F)F)cc1 ZINC000060327072 562702709 /nfs/dbraw/zinc/70/27/09/562702709.db2.gz RPMDUAUHROOADT-NRFANRHFSA-N -1 0 601.021 7.229 1 0 KKAFRM CCC[C@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(C(F)(F)F)c1 ZINC000060326821 562702728 /nfs/dbraw/zinc/70/27/28/562702728.db2.gz HYNCRNBGXDRESJ-OAQYLSRUSA-N -1 0 615.048 7.358 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000060328558 562702806 /nfs/dbraw/zinc/70/28/06/562702806.db2.gz JBBBCEIFHAHVTJ-SANMLTNESA-N -1 0 587.160 7.687 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 ZINC000060328562 562702812 /nfs/dbraw/zinc/70/28/12/562702812.db2.gz KCLUDGINEHWPEF-FQEVSTJZSA-N -1 0 586.010 6.744 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@H](CC2CC2)C(=O)c2cc3cc(Cl)ccc3n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000060328773 562702829 /nfs/dbraw/zinc/70/28/29/562702829.db2.gz YOFHXKXENHFFJZ-QHCPKHFHSA-N -1 0 597.033 7.349 1 0 KKAFRM Cc1ccc([C@H]2C(C(=O)[O-])=CC[C@@H](c3ccc(Cl)c(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947073 562704002 /nfs/dbraw/zinc/70/40/02/562704002.db2.gz SBNKQGXAWJCTAX-DQEYMECFSA-N -1 0 516.446 6.498 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)[O-])[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000061947060 562704018 /nfs/dbraw/zinc/70/40/18/562704018.db2.gz PMWCDYFHBFPPKC-KYJUHHDHSA-N -1 0 531.718 7.304 3 0 KKAFRM Cc1ccccc1-c1cccc2c1c(Nc1ccccc1)c(C(=O)[O-])n2CCCOc1cccc2ccccc21 ZINC000063539325 562704493 /nfs/dbraw/zinc/70/44/93/562704493.db2.gz IQIZCJIVSBDLES-UHFFFAOYSA-N -1 0 526.636 8.681 1 0 KKAFRM CCCCOc1ccc(-c2c(C)ncc(C(=O)[O-])c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000064466848 562705834 /nfs/dbraw/zinc/70/58/34/562705834.db2.gz UNUJRJCEJXKUFP-UHFFFAOYSA-N -1 0 518.507 6.330 1 0 KKAFRM O=C([O-])c1ccc(-c2ccc(OCCc3cc([C@](O)(CCN4CCOCC4)c4ccc(Cl)cc4)ccc3Cl)cc2)cc1 ZINC000064513155 562706344 /nfs/dbraw/zinc/70/63/44/562706344.db2.gz CYNBHDONBLRMMT-UMSFTDKQSA-N -1 0 606.546 6.938 1 0 KKAFRM CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000064527462 562706966 /nfs/dbraw/zinc/70/69/66/562706966.db2.gz RQXKSSUCNKSXAB-HKBQPEDESA-N -1 0 600.679 5.570 1 0 KKAFRM CC(C)N(C(=O)CN1c2ccccc2-n2c(-c3ccccc3)nnc2[C@H](Nc2cccc(C(=O)[O-])c2)C1=O)c1ccccc1 ZINC000064527460 562706977 /nfs/dbraw/zinc/70/69/77/562706977.db2.gz NDYDWAHMAKSSPE-PMERELPUSA-N -1 0 586.652 5.574 1 0 KKAFRM Cc1nc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000066066166 562709303 /nfs/dbraw/zinc/70/93/03/562709303.db2.gz BJLCEFDFIQCWIA-NRFANRHFSA-N -1 0 545.011 6.858 1 0 KKAFRM CCOC(=O)c1ccc(OCc2ccccc2)c([N-]S(=O)(=O)Cc2cccc(C3(OC)CCOCC3)c2)c1 ZINC000066073915 562709635 /nfs/dbraw/zinc/70/96/35/562709635.db2.gz SCHTUKZESKGPOR-UHFFFAOYSA-N 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DCYVLMBIGDAZHF-SVBPBHIXSA-N -1 0 554.506 6.769 3 0 KKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(OC(=O)CCCN3CCOCC3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000068207289 562716027 /nfs/dbraw/zinc/71/60/27/562716027.db2.gz GEFCKJVNGMXTQZ-BJMVGYQFSA-N -1 0 529.677 5.937 1 0 in-vivo KKAFRM CCCCN(c1cccc(-c2ccc(Cl)c(Cl)c2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071317405 562718235 /nfs/dbraw/zinc/71/82/35/562718235.db2.gz DPVVRLPGCOQZLR-FQEVSTJZSA-N -1 0 564.531 7.433 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071317697 562718247 /nfs/dbraw/zinc/71/82/47/562718247.db2.gz LXSLFGKGTOSBCI-HXUWFJFHSA-N -1 0 548.076 6.919 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071329292 562718886 /nfs/dbraw/zinc/71/88/86/562718886.db2.gz CCXPJULYZFZEGR-IBGZPJMESA-N -1 0 584.056 7.490 1 0 KKAFRM CN1CCc2nc(C(=O)Nc3cc(OC(C)(C)C(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000071329914 562719049 /nfs/dbraw/zinc/71/90/49/562719049.db2.gz KKMXUZGEUZKOEQ-UHFFFAOYSA-N -1 0 568.055 5.012 1 0 in-vivo KKAFRM Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OC(C)(C)C(=O)[O-] ZINC000071331069 562719234 /nfs/dbraw/zinc/71/92/34/562719234.db2.gz FJUBGMRHMNICPT-UHFFFAOYSA-N -1 0 532.584 7.429 1 0 KKAFRM Cc1nc(C(=O)[C@@H](C)Oc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)[O-] ZINC000071331029 562719240 /nfs/dbraw/zinc/71/92/40/562719240.db2.gz RWIZIVMQIZHTSD-OAQYLSRUSA-N -1 0 511.709 7.014 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071331477 562719319 /nfs/dbraw/zinc/71/93/19/562719319.db2.gz SDPOAFSISKXZLC-XMHGGMMESA-N -1 0 564.686 6.533 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000071333273 562719443 /nfs/dbraw/zinc/71/94/43/562719443.db2.gz LCPOJFADYAPLKQ-LFIBNONCSA-N -1 0 553.659 6.731 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071340581 562719769 /nfs/dbraw/zinc/71/97/69/562719769.db2.gz NHWNMIYBQJMEMC-QGOAFFKASA-N -1 0 576.697 6.677 1 0 KKAFRM Cc1nc2cc(-c3c(C4CCCCC4)c4ccc(C(=O)NC(C)(C)C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)cc4n3C)ccc2s1 ZINC000071340796 562719860 /nfs/dbraw/zinc/71/98/60/562719860.db2.gz OAGHEEGLKHBJOO-XDHOZWIPSA-N -1 0 634.802 8.056 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)[O-] ZINC000071418513 562720190 /nfs/dbraw/zinc/72/01/90/562720190.db2.gz VOJABLRQFNJOOE-ZHEGQPLDSA-N -1 0 591.924 8.941 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000071420869 562720211 /nfs/dbraw/zinc/72/02/11/562720211.db2.gz WVIULBFUUUYYQV-IRPIDOHDSA-N -1 0 550.606 6.395 1 0 KKAFRM CCC(CC)(c1ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000072106275 562720955 /nfs/dbraw/zinc/72/09/55/562720955.db2.gz IHCDYAISXHSACV-RPLLCQBOSA-N -1 0 500.676 5.800 1 0 KKAFRM CC(C)C1=C2[C@H]3C[C@@H](OC(=O)c4ccccc4)C(COC(=O)c4ccccc4)=C[C@H](O)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000072108698 562721493 /nfs/dbraw/zinc/72/14/93/562721493.db2.gz RIFCQBXYULQNTC-MVKHKYTLSA-N -1 0 558.671 5.994 1 0 KKAFRM Cc1c(C(=O)NC(C)(C)c2nc(CC(=O)[O-])cs2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072112049 562722028 /nfs/dbraw/zinc/72/20/28/562722028.db2.gz NAGKGRVRXXZLIV-UHFFFAOYSA-N -1 0 563.894 6.557 1 0 KKAFRM COc1ccccc1[C@@H](O)c1cc(Cl)cc(C)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000072113374 562722334 /nfs/dbraw/zinc/72/23/34/562722334.db2.gz JDTXKBCPQWOGDH-WTYVLRPYSA-N -1 0 559.103 5.221 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(-c4ccccc4)cc3)C(=O)[O-])ccc2o1 ZINC000072113635 562722406 /nfs/dbraw/zinc/72/24/06/562722406.db2.gz ICXYBGRALGEOCH-YTTGMZPUSA-N -1 0 558.634 7.708 1 0 KKAFRM CCOc1cc(Cl)cc([C@H](O)c2ccccc2OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000072113739 562722456 /nfs/dbraw/zinc/72/24/56/562722456.db2.gz HFJSVTAXTAZKIH-AFJIDDCJSA-N -1 0 589.129 5.312 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3cccc4ncccc43)C(=O)[O-])ccc2o1 ZINC000072114213 562722662 /nfs/dbraw/zinc/72/26/62/562722662.db2.gz HIUAPSXGOFSGKK-LJAQVGFWSA-N -1 0 533.584 6.589 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3cccc(I)c3)C(=O)[O-])ccc2o1 ZINC000072114208 562722663 /nfs/dbraw/zinc/72/26/63/562722663.db2.gz SLNPZUZEWXHOBA-SANMLTNESA-N -1 0 608.432 6.646 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccccc3Br)C(=O)[O-])ccc2o1 ZINC000072114289 562722674 /nfs/dbraw/zinc/72/26/74/562722674.db2.gz XWVKEMHJRRMMFN-SANMLTNESA-N -1 0 561.432 6.804 1 0 KKAFRM CC(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])c2ccccc21 ZINC000072123689 562724808 /nfs/dbraw/zinc/72/48/08/562724808.db2.gz LFXWWGSRHLWXMM-DEOSSOPVSA-N -1 0 655.922 5.073 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc(Br)c3)cc2)cc1)C(=O)[O-] ZINC000073140780 562733665 /nfs/dbraw/zinc/73/36/65/562733665.db2.gz HVCJZDOPEFRPED-HSZRJFAPSA-N -1 0 518.429 5.083 1 0 KKAFRM CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(C(C)C)nc4-c4cccc([N-]S(=O)(=O)c5cc(F)ccc5F)c4)n3)cn2)CC1 ZINC000072175978 562731470 /nfs/dbraw/zinc/73/14/70/562731470.db2.gz QTOGPRWMBWUBLY-UHFFFAOYSA-N -1 0 690.802 6.277 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000072180583 562732489 /nfs/dbraw/zinc/73/24/89/562732489.db2.gz KIKVWWKTNCCDOR-UHFFFAOYSA-N -1 0 511.521 6.070 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1cccc(Cl)c1 ZINC000072180705 562732538 /nfs/dbraw/zinc/73/25/38/562732538.db2.gz ZEYATNRWXGLTLA-RGPNDZKTSA-N -1 0 503.957 6.037 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(COc2ccccc2)cc1)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1 ZINC000072184180 562732933 /nfs/dbraw/zinc/73/29/33/562732933.db2.gz ZVVISUNOBAGDQV-UHFFFAOYSA-N -1 0 512.414 6.358 1 0 KKAFRM Cc1c2cc(NC(=O)[C@]3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccccn4)c5C4CCCCC4)CCC[NH2+]C3)ccc2sc1C(=O)[O-] ZINC000072187324 562733007 /nfs/dbraw/zinc/73/30/07/562733007.db2.gz NYRJGBSSTJUMME-QNGWXLTQSA-N -1 0 649.817 7.000 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3cc(OC)ccc3OC)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000072316989 562733105 /nfs/dbraw/zinc/73/31/05/562733105.db2.gz VOOYDDCVNCKBLQ-UHFFFAOYSA-N -1 0 591.708 6.700 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)cc21 ZINC000073139731 562733502 /nfs/dbraw/zinc/73/35/02/562733502.db2.gz VWLHAISQWXTYED-UHFFFAOYSA-N -1 0 585.742 5.740 1 0 KKAFRM COc1ccc(CC(=O)[O-])cc1-c1ccc(C(F)(F)F)cc1CN(C(=O)OCc1ccccc1)C1CCCC1 ZINC000073162518 562734193 /nfs/dbraw/zinc/73/41/93/562734193.db2.gz KBLKZJHMCGXNOC-UHFFFAOYSA-N -1 0 541.566 7.090 1 0 KKAFRM CC(C)N1CCc2nc(C(=O)Nc3c(CCC(=O)Nc4ccc(Cl)cc4)cccc3C(=O)[O-])sc2C1 ZINC000073165162 562734391 /nfs/dbraw/zinc/73/43/91/562734391.db2.gz JBUSORMBPHOOQB-UHFFFAOYSA-N -1 0 527.046 5.085 1 0 KKAFRM CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CCC(=O)Nc3ccc(Br)cc3)sc2C1 ZINC000073166338 562734472 /nfs/dbraw/zinc/73/44/72/562734472.db2.gz CRSSICJASSNZAD-UHFFFAOYSA-N -1 0 571.497 5.194 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)[O-] ZINC000073197114 562735264 /nfs/dbraw/zinc/73/52/64/562735264.db2.gz CFHCKZRKVAUXAB-DBZIORCRSA-N -1 0 535.750 7.601 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(=O)n(Cc2ccc(Cl)c(O[C@H](C)C(=O)[O-])c2)c2cc(OC(F)(F)F)ccc21 ZINC000073200100 562736087 /nfs/dbraw/zinc/73/60/87/562736087.db2.gz CHRXCASVPUATAE-CYBMUJFWSA-N -1 0 577.899 5.394 1 0 KKAFRM CCC(=O)Nc1ccc(Oc2cc(CC(=O)[O-])ccc2OC)c(C(=O)NC(C)(C)Cc2ccc(F)cc2)c1 ZINC000073224849 562736783 /nfs/dbraw/zinc/73/67/83/562736783.db2.gz OHJRAAKERVBNIK-UHFFFAOYSA-N -1 0 522.573 5.353 1 0 KKAFRM C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C(C)=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)[O-] ZINC000073279110 562737427 /nfs/dbraw/zinc/73/74/27/562737427.db2.gz BMADCSLVWGICRZ-DAJDDQMGSA-N -1 0 506.643 5.914 1 0 KKAFRM [O-]c1c(Br)ccc2c1Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 ZINC000073294376 562737612 /nfs/dbraw/zinc/73/76/12/562737612.db2.gz XYFTYLWAZZXGIG-UHFFFAOYSA-N -1 0 503.392 7.329 1 0 KKAFRM COc1ccc([C@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000073312478 562737893 /nfs/dbraw/zinc/73/78/93/562737893.db2.gz XYBCKNBIEMHAKW-YTTGMZPUSA-N -1 0 599.709 6.699 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(Cl)cc3)ccc2c1 ZINC000073312473 562737935 /nfs/dbraw/zinc/73/79/35/562737935.db2.gz QEZTXJNODCPWOW-WJOKGBTCSA-N -1 0 604.128 7.344 1 0 KKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(OC(=O)NC3CCN(C(=O)OCc4ccccc4)CC3)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000073335908 562738177 /nfs/dbraw/zinc/73/81/77/562738177.db2.gz CLSXRMGFDLYPIH-MDWZMJQESA-N -1 0 634.773 7.809 1 0 KKAFRM C=C(C(=O)[C@H](OC(=O)CCC(=O)[O-])[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O ZINC000082137970 562739064 /nfs/dbraw/zinc/73/90/64/562739064.db2.gz TXHOIDOBUQELRQ-WIQRZITFSA-N -1 0 668.824 5.659 1 0 KKAFRM CCOc1nc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cs1 ZINC000082138068 562739164 /nfs/dbraw/zinc/73/91/64/562739164.db2.gz JFNPTHBQIWJQNK-UHFFFAOYSA-N -1 0 643.875 9.038 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(C(=O)CC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082139751 562739218 /nfs/dbraw/zinc/73/92/18/562739218.db2.gz VHJXMQOKXJGXPO-UHFFFAOYSA-N -1 0 647.816 8.705 1 0 KKAFRM COc1ccc(C(=O)Nc2nc(-c3ccc(OCc4c(Cl)cccc4Cl)cc3)c(C(=O)[O-])s2)cc1 ZINC000082153097 562740157 /nfs/dbraw/zinc/74/01/57/562740157.db2.gz UIAJQWDNRTZSFE-UHFFFAOYSA-N -1 0 529.401 6.655 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(=O)n(Cc2cc(O[C@H](C)C(=O)[O-])ccc2Cl)c2cc(C(F)(F)F)ccc21 ZINC000082155192 562740489 /nfs/dbraw/zinc/74/04/89/562740489.db2.gz QDKRCZLVZABFFP-CYBMUJFWSA-N -1 0 561.900 5.514 1 0 KKAFRM C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)[O-] ZINC000082158453 562741165 /nfs/dbraw/zinc/74/11/65/562741165.db2.gz QHAIOBVJFFCEMU-LKKXOQGXSA-N -1 0 582.734 5.336 1 0 KKAFRM CC(=O)O[C@H]1[C@H](OC(=O)C[C@](C)(O)CC(=O)[O-])C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@H]2OC(C)=O)[C@@]1(C)CC3 ZINC000082181639 562741848 /nfs/dbraw/zinc/74/18/48/562741848.db2.gz JBMORHZTYFJYCP-HEIVGDMOSA-N -1 0 718.925 6.260 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000082181738 562741906 /nfs/dbraw/zinc/74/19/06/562741906.db2.gz CGNJSLAZLYEAJR-ZIVSEJNYSA-N -1 0 667.850 5.300 1 0 KKAFRM COc1ccc2c(c1)c(CC(=O)N[C@@H](CC(=O)[O-])Cc1cccc3ccccc31)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000084603227 562744117 /nfs/dbraw/zinc/74/41/17/562744117.db2.gz GXJGFPZJFOLIFD-RUZDIDTESA-N -1 0 569.057 6.198 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(-c3ccc(-c4ccc(C(N)=O)cc4)cc3)cc2)c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000084603610 562744194 /nfs/dbraw/zinc/74/41/94/562744194.db2.gz KOVXOSJQVVRPFQ-UHFFFAOYSA-N -1 0 663.752 5.686 1 0 KKAFRM Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084651903 562746356 /nfs/dbraw/zinc/74/63/56/562746356.db2.gz AQQQCXSXMJJHOU-HSZRJFAPSA-N -1 0 536.646 5.456 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000084652593 562746608 /nfs/dbraw/zinc/74/66/08/562746608.db2.gz YYNNXRZMFPYRHM-UHFFFAOYSA-N -1 0 527.583 7.447 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C(=O)c2cccc(C(=O)[O-])c2)c2cccc3ccccc32)c(Cl)c1 ZINC000084652973 562746750 /nfs/dbraw/zinc/74/67/50/562746750.db2.gz YHJQGIYFXMMQMI-UHFFFAOYSA-N -1 0 685.991 10.834 1 0 KKAFRM Cc1cccc2oc(-c3cccc(C[C@H](O)/C=C/[C@H]4CCC(=O)N4CCSc4nc(C(=O)[O-])cs4)c3)nc21 ZINC000084670783 562748362 /nfs/dbraw/zinc/74/83/62/562748362.db2.gz LBKVVYLADFVUQO-BPFVEMAFSA-N -1 0 549.674 5.201 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084671720 562748623 /nfs/dbraw/zinc/74/86/23/562748623.db2.gz WRDLOSBDTWAIDW-RRPNLBNLSA-N -1 0 666.576 5.935 1 0 KKAFRM COc1cccc([C@@H]2O[C@@H](CC(=O)N3CCC(CC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084687302 562748828 /nfs/dbraw/zinc/74/88/28/562748828.db2.gz MSSQOQPKGAMUSY-LSYYVWMOSA-N -1 0 539.028 5.412 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCn3ccc(CC(=O)[O-])n3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084689868 562749448 /nfs/dbraw/zinc/74/94/48/562749448.db2.gz GCNKOZIXSSFTIQ-ZEQKJWHPSA-N -1 0 507.974 5.223 1 0 KKAFRM CCCCc1nc2ccc(C(F)(F)F)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000084690208 562749527 /nfs/dbraw/zinc/74/95/27/562749527.db2.gz BZQHFABDJBRUMK-UHFFFAOYSA-N -1 0 582.648 7.519 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](CC(C)C)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084709482 562750335 /nfs/dbraw/zinc/75/03/35/562750335.db2.gz XSSCXIKATZTDKI-NRFANRHFSA-N -1 0 509.615 7.789 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1ccc(C(F)(F)F)cc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084710003 562750417 /nfs/dbraw/zinc/75/04/17/562750417.db2.gz DHMMTLBKSCKNQS-XMMPIXPASA-N -1 0 611.629 9.004 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](CCCCCCCCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084709994 562750435 /nfs/dbraw/zinc/75/04/35/562750435.db2.gz BJYVJMKOCWAAOE-XIFFEERXSA-N -1 0 669.875 11.496 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)Nc3cccc(C(=O)[O-])c3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084711392 562750672 /nfs/dbraw/zinc/75/06/72/562750672.db2.gz XAGZYPCMKJBIEU-XNMGPUDCSA-N -1 0 532.980 6.036 1 0 KKAFRM CN1CCCCCNC(=O)COc2ccccc2-c2c(C3CCCCC3)c3ccc(cc3n2C)C(=O)[N-]S1(=O)=O ZINC000084712514 562750809 /nfs/dbraw/zinc/75/08/09/562750809.db2.gz GWAWRGYLYHTJEU-UHFFFAOYSA-N -1 0 566.724 5.053 1 0 KKAFRM CCOC(=O)C1=C(O)C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H](C(C)C)CC[C@]5(C(=O)[O-])CC[C@]43C)[C@@]2(C)C1 ZINC000084713632 562750926 /nfs/dbraw/zinc/75/09/26/562750926.db2.gz VCCWMCIAQMJCBF-GFBIADHRSA-N -1 0 528.774 7.794 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1cc(F)c(F)c(F)c1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724839 562751214 /nfs/dbraw/zinc/75/12/14/562751214.db2.gz VRQBNZLPOKTLAT-HSZRJFAPSA-N -1 0 597.602 8.403 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3)cc2)Cc2cccc(F)c2)c(Br)c1 ZINC000084732068 562751790 /nfs/dbraw/zinc/75/17/90/562751790.db2.gz PKSUBVJXQCVWRS-UHFFFAOYSA-N -1 0 599.294 7.977 1 0 KKAFRM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@](C)(O)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1OC(C)=O ZINC000084742099 562752235 /nfs/dbraw/zinc/75/22/35/562752235.db2.gz APYZMQOFHXDIQV-UIEGQFKXSA-N -1 0 572.783 6.317 1 0 KKAFRM Cc1c(C)c(-c2cccc(COc3ccc4c(c3)OC[C@H]4CC(=O)[O-])c2)c(C)c(C)c1OC1CCS(=O)(=O)CC1 ZINC000084759478 562752939 /nfs/dbraw/zinc/75/29/39/562752939.db2.gz ONABFDNVYQPVIJ-RUZDIDTESA-N -1 0 564.700 6.073 1 0 KKAFRM COc1ccc(NC(=O)COc2cc(=O)c3c([O-])c(O)c(-c4ccc5c(c4)O[C@H](c4ccc(OCC(=O)Nc6ccc(OC)cc6)c(OC)c4)[C@H](CO)O5)oc-3c2)cc1 ZINC000095536770 562754129 /nfs/dbraw/zinc/75/41/29/562754129.db2.gz KISBLJIONNDZHV-JYBRNLSSSA-N -1 0 806.777 5.805 1 0 KKAFRM Cc1cc(Oc2c(/C=C(/C(=O)[O-])c3ccncc3)sc3cc(OCc4ccc(-c5ccccc5)cc4)c(OCc4ccc(-c5ccccc5)cc4)cc32)cc(C)c1Cl ZINC000095540622 562755839 /nfs/dbraw/zinc/75/58/39/562755839.db2.gz GCYVKPLJHDDRTP-VSMKPTLZSA-N -1 0 800.376 13.476 1 0 KKAFRM COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc43)C(=O)[C@H]2NC(=O)c2ccc(O[P@@](=O)([O-])OCc3ccccc3)cc2)cc1 ZINC000095541501 562756137 /nfs/dbraw/zinc/75/61/37/562756137.db2.gz NSVYRYRJEHZHPS-YATWDLPUSA-N -1 0 787.831 7.839 1 0 KKAFRM Cc1cccc(C)c1CS(=O)(=O)NCCc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000095541550 562756198 /nfs/dbraw/zinc/75/61/98/562756198.db2.gz LBCSIPNSRSUCHT-UHFFFAOYSA-N -1 0 755.358 7.926 1 0 KKAFRM O=c1c2cc(S(=O)(=O)[O-])ccc2nc(COc2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Cl)cc1Oc1c(Cl)cccc1Cl ZINC000095550076 562759900 /nfs/dbraw/zinc/75/99/00/562759900.db2.gz OFYLAXRVTJPVSP-UHFFFAOYSA-N -1 0 764.854 10.063 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000095554485 562761298 /nfs/dbraw/zinc/76/12/98/562761298.db2.gz YGCDRALNJUASGG-PXLJZGITSA-N -1 0 626.709 6.353 1 0 KKAFRM CC(=O)O[C@H](CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000095557307 562762109 /nfs/dbraw/zinc/76/21/09/562762109.db2.gz JHTUFPXDGZSUCN-FIRIVFDPSA-N -1 0 564.638 5.059 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4csc(-c6ccccc6)n4)c5C4CCCC4)CCC3)ccc21 ZINC000095571802 562769257 /nfs/dbraw/zinc/76/92/57/562769257.db2.gz FBLHJEUWDBRWJU-UHFFFAOYSA-N -1 0 671.823 8.108 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccc(OC(F)(F)F)cc3c2)cc1 ZINC000095572068 562769307 /nfs/dbraw/zinc/76/93/07/562769307.db2.gz QZFBRKKWYQRTKA-UHFFFAOYSA-N -1 0 628.434 7.829 1 0 KKAFRM CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C(\C)C(=O)[O-])cc5)CCC4)cc3n2C)cs1 ZINC000095572148 562769334 /nfs/dbraw/zinc/76/93/34/562769334.db2.gz DWEJYBWVNRFHFH-LVZFUZTISA-N -1 0 611.768 6.780 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(COCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095572515 562769439 /nfs/dbraw/zinc/76/94/39/562769439.db2.gz PVYONNKWQLSIMS-CEFNRUSXSA-N -1 0 504.752 7.834 1 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)cn1 ZINC000095573350 562769693 /nfs/dbraw/zinc/76/96/93/562769693.db2.gz YQZQFVCJTRYBIA-GZTJUZNOSA-N -1 0 576.697 6.595 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCCC4)cc3n2C)nc1 ZINC000095573885 562769814 /nfs/dbraw/zinc/76/98/14/562769814.db2.gz DNHBIDUOJYUSMX-WOJGMQOQSA-N -1 0 606.723 6.686 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3csc(N(C)C)n3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095573974 562769840 /nfs/dbraw/zinc/76/98/40/562769840.db2.gz KXPMPMHFZYGCIK-DYTRJAOYSA-N -1 0 625.795 6.805 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@@](C)(COCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095574083 562769871 /nfs/dbraw/zinc/76/98/71/562769871.db2.gz PVYONNKWQLSIMS-BVXAZASISA-N -1 0 504.752 7.834 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccncc1 ZINC000095574533 562770019 /nfs/dbraw/zinc/77/00/19/562770019.db2.gz WFJHTNWPNVKEJD-XNTDXEJSSA-N -1 0 550.659 6.143 1 0 KKAFRM CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)cs1 ZINC000095575810 562770477 /nfs/dbraw/zinc/77/04/77/562770477.db2.gz SPHHTKULYKKQSQ-UHFFFAOYSA-N -1 0 626.783 6.362 1 0 KKAFRM CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cs1 ZINC000095576436 562770619 /nfs/dbraw/zinc/77/06/19/562770619.db2.gz NEGWUKCPSYXOEI-LFIBNONCSA-N -1 0 585.730 6.246 1 0 KKAFRM CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cs1 ZINC000095576511 562770664 /nfs/dbraw/zinc/77/06/64/562770664.db2.gz WUDZGQJRCMJHET-LFIBNONCSA-N -1 0 613.740 6.163 1 0 KKAFRM COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4Br)cc3)C2)cc1OC ZINC000095577813 562771098 /nfs/dbraw/zinc/77/10/98/562771098.db2.gz SWKBDLZGOWTUQK-QFIPXVFZSA-N -1 0 626.451 5.984 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095578517 562771278 /nfs/dbraw/zinc/77/12/78/562771278.db2.gz VCYAIORUSXKMIC-LSDHQDQOSA-N -1 0 576.697 6.677 1 0 KKAFRM Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)n1 ZINC000095579124 562771434 /nfs/dbraw/zinc/77/14/34/562771434.db2.gz CPJIRPDMGBVKQO-QGOAFFKASA-N -1 0 576.697 6.595 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cccc5cccnc53)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095579309 562771534 /nfs/dbraw/zinc/77/15/34/562771534.db2.gz OAYSNJXUWNIBRE-ZNTNEXAZSA-N -1 0 626.757 7.830 1 0 KKAFRM CCCOc1ccc(C[C@@H](CC2CCCCC2)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095579546 562771545 /nfs/dbraw/zinc/77/15/45/562771545.db2.gz PNLONEWDPBDYQU-PNXYMTDXSA-N -1 0 571.802 8.087 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccsc3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095579909 562771689 /nfs/dbraw/zinc/77/16/89/562771689.db2.gz SWCGWJNZLFGWLR-DYTRJAOYSA-N -1 0 581.738 7.344 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc5ncccc5c3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095580181 562771795 /nfs/dbraw/zinc/77/17/95/562771795.db2.gz TTWCHYNLQQXFIX-DARPEHSRSA-N -1 0 626.757 7.830 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc(Oc2ccn(Cc3ccc(Cl)cc3)n2)c(C(F)(F)F)c1 ZINC000095582399 562772532 /nfs/dbraw/zinc/77/25/32/562772532.db2.gz ABQFYXJUYWLWKC-UHFFFAOYSA-N -1 0 515.926 5.048 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)c(Cl)c1 ZINC000095582854 562772754 /nfs/dbraw/zinc/77/27/54/562772754.db2.gz BJVRHMAQWBOUOK-UHFFFAOYSA-N -1 0 513.910 5.260 1 0 KKAFRM CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2F)C1 ZINC000095583473 562772905 /nfs/dbraw/zinc/77/29/05/562772905.db2.gz YOMNBFDPZACIQP-UHFFFAOYSA-N -1 0 538.001 5.018 1 0 KKAFRM CC(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3C(F)F)c1 ZINC000095583833 562773051 /nfs/dbraw/zinc/77/30/51/562773051.db2.gz FWDBCHHWAWMCFJ-UHFFFAOYSA-N -1 0 525.002 5.174 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095583918 562773074 /nfs/dbraw/zinc/77/30/74/562773074.db2.gz RZFXHLXSWRGFMX-UHFFFAOYSA-N -1 0 547.899 5.279 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)n2C(=O)c1ccc(Cl)cc1 ZINC000095585103 562773478 /nfs/dbraw/zinc/77/34/78/562773478.db2.gz KKJWXZFFVOWPKY-UHFFFAOYSA-N -1 0 525.026 5.046 1 0 KKAFRM CC(C)(C)n1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)[N-]c2ncns2)cc1Cl ZINC000095585286 562773587 /nfs/dbraw/zinc/77/35/87/562773587.db2.gz LXBNJIPMBMGHCT-UHFFFAOYSA-N -1 0 524.455 6.057 1 0 KKAFRM Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3ncc(F)s3)cc2F)cc1 ZINC000095585550 562773605 /nfs/dbraw/zinc/77/36/05/562773605.db2.gz ICVXWXDAKMYUMQ-UHFFFAOYSA-N -1 0 516.473 5.434 1 0 KKAFRM COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095585880 562773753 /nfs/dbraw/zinc/77/37/53/562773753.db2.gz UAVYHHKZLDCFKN-CONSDPRKSA-N -1 0 737.743 5.499 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CC[C@@H](COc3cccc(C(=O)[O-])c3)C2)nc1 ZINC000095587204 562774239 /nfs/dbraw/zinc/77/42/39/562774239.db2.gz SHQJSZLUAVTKKF-JOCHJYFZSA-N -1 0 547.611 6.659 1 0 KKAFRM Cc1c2cc(-c3nccs3)ccc2oc1C(=O)Nc1ccc(N2CCC(COc3cccc(C(=O)[O-])c3)CC2)nc1 ZINC000095590690 562775352 /nfs/dbraw/zinc/77/53/52/562775352.db2.gz NQHGCAFLYAAXAW-UHFFFAOYSA-N -1 0 568.655 6.506 1 0 KKAFRM CC(=O)O[C@H]1C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)[O-])[C@@]2(C)CC(=O)C3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000095590802 562775353 /nfs/dbraw/zinc/77/53/53/562775353.db2.gz CKXRGSLEGLFLRZ-SUSDMKTMSA-N -1 0 542.713 5.732 1 0 KKAFRM CS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095591754 562775769 /nfs/dbraw/zinc/77/57/69/562775769.db2.gz HKTCATSIOBBJNZ-UHFFFAOYSA-N -1 0 507.804 5.038 1 0 KKAFRM CC(C)(C)c1nc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)c(-c2ccnc(N)n2)s1 ZINC000095591924 562775801 /nfs/dbraw/zinc/77/58/01/562775801.db2.gz OJPJIMJMERYTNG-UHFFFAOYSA-N -1 0 501.584 5.226 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5cccc(I)c5)c4=S)CC3)c(F)cc2c1=O ZINC000095594147 562776391 /nfs/dbraw/zinc/77/63/91/562776391.db2.gz RZBIEOIZSMKOMV-UHFFFAOYSA-N -1 0 738.583 5.647 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(Cl)c5)n(-c5cccc(I)c5)c4=S)CC3)c(F)cc2c1=O ZINC000095596601 562777031 /nfs/dbraw/zinc/77/70/31/562777031.db2.gz RTWDANZPPOLONV-UHFFFAOYSA-N -1 0 757.029 6.595 1 0 KKAFRM CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c1 ZINC000095596933 562777105 /nfs/dbraw/zinc/77/71/05/562777105.db2.gz AZMRLGSWLJMIQC-QHCPKHFHSA-N -1 0 578.590 6.802 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(CC(=O)OCc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095600180 562778707 /nfs/dbraw/zinc/77/87/07/562778707.db2.gz BLDPXBPEIPXNMH-QNGWXLTQSA-N -1 0 668.746 6.607 3 0 KKAFRM O=C([O-])CN1Cc2cccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c2N[C@@H](Cc2c[nH]c3ccccc23)C1=O ZINC000095602165 562779920 /nfs/dbraw/zinc/77/99/20/562779920.db2.gz IPPCNEULTJTYDE-HKBQPEDESA-N -1 0 586.648 5.979 1 0 KKAFRM Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCc2ccc(Cl)s2)[n+]1CC[C@@H](O)C(=O)[O-] ZINC000095606186 562781946 /nfs/dbraw/zinc/78/19/46/562781946.db2.gz GDYFMKXQLUYZSU-CMSWSFRRSA-O -1 0 804.241 5.548 1 0 KKAFRM 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)NCCc1cccc(N[C@@H](C(=O)[O-])c2ccccc2)c1)C(C)C ZINC000095606510 562782099 /nfs/dbraw/zinc/78/20/99/562782099.db2.gz SPUIUCLSOFCTHA-JHXRBWKZSA-N -1 0 769.931 5.927 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(Cc4ccccc4)cc3)c(OCc3ccc(Cc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000095609907 562784081 /nfs/dbraw/zinc/78/40/81/562784081.db2.gz PDXYWGLLNOZZGN-BJSJXSMNSA-N -1 0 800.376 12.707 1 0 KKAFRM Cc1ccc(/C=C/C(=O)N2Cc3c(cc(I)c(OCc4ccc(Cl)cc4Cl)c3I)C[C@H]2C(=O)[O-])cc1 ZINC000095612053 562785217 /nfs/dbraw/zinc/78/52/17/562785217.db2.gz ADIOXAKOQRXMJN-CJHOVAGGSA-N -1 0 748.182 7.141 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccccc1Br ZINC000095612087 562785242 /nfs/dbraw/zinc/78/52/42/562785242.db2.gz OHYAUIISOSZZOS-IMAOXBOFSA-N -1 0 813.051 7.595 1 0 KKAFRM 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)NCCc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1)C(C)C ZINC000095612389 562785450 /nfs/dbraw/zinc/78/54/50/562785450.db2.gz GSVABYIDKWHKNL-YVFXFWEPSA-N -1 0 764.867 5.482 1 0 KKAFRM CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(CC(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O ZINC000095612432 562785493 /nfs/dbraw/zinc/78/54/93/562785493.db2.gz SATJHFZSRQFUNZ-YBRNAJCASA-N -1 0 775.899 5.879 1 0 KKAFRM CC(C)C[C@H](CC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)CCc1cccc2ccccc21)C(N)=O ZINC000095612454 562785531 /nfs/dbraw/zinc/78/55/31/562785531.db2.gz IEHOBHDFLKBKNW-HTVAGRJCSA-N -1 0 751.877 5.079 1 0 KKAFRM CC[C@H](NC(=O)[C@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095612696 562785728 /nfs/dbraw/zinc/78/57/28/562785728.db2.gz QAIHVKONQJKIDS-WAJDDBLKSA-N -1 0 756.897 5.353 1 0 KKAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000095613053 562786027 /nfs/dbraw/zinc/78/60/27/562786027.db2.gz KYRGQIVRUVJEGX-JZUHQYTFSA-N -1 0 756.897 5.353 1 0 KKAFRM Cc1cn(CCCn2cc(CC(=O)NCCOCCOCCOCCO[P@](=O)([O-])Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000095614399 562786551 /nfs/dbraw/zinc/78/65/51/562786551.db2.gz ISUYGSZSGJHUHX-UHFFFAOYSA-N -1 0 712.180 6.553 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])OCc2ccccc2)cc1)C(=O)N[C@@H]1CSc2ccccc2N(CCCC2CCCCC2)C1=O ZINC000095614477 562786661 /nfs/dbraw/zinc/78/66/61/562786661.db2.gz GYCWJRXLQZOBIM-JHOUSYSJSA-N -1 0 751.883 7.803 1 0 KKAFRM Cc1c([N-]S(=O)(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000095615187 562787153 /nfs/dbraw/zinc/78/71/53/562787153.db2.gz GFBQNOACAGDIGG-UHFFFAOYSA-N -1 0 752.338 10.730 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1cccnc1)c1ccncc1 ZINC000095615330 562787227 /nfs/dbraw/zinc/78/72/27/562787227.db2.gz FERVNRKYFKEALJ-WOQJSSNBSA-N -1 0 738.865 11.601 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000095615393 562787285 /nfs/dbraw/zinc/78/72/85/562787285.db2.gz VAXKYVCRQYUXNF-SISPBFPDSA-N -1 0 772.322 12.859 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(Oc4ccccc4)cc3)c(OCc3ccc(Oc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000095615419 562787288 /nfs/dbraw/zinc/78/72/88/562787288.db2.gz JSPBIVFFCIEAOT-SISPBFPDSA-N -1 0 804.320 13.110 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC(=O)C13CC4CC(CC(C4)C1)C3)c2=O ZINC000096169974 562790945 /nfs/dbraw/zinc/79/09/45/562790945.db2.gz FGLAYHLGVRTPGD-UHFFFAOYSA-N -1 0 622.747 5.631 1 0 KKAFRM Cc1ccc(CCn2c(=O)c3cc(CC(F)(F)F)sc3n(Cc3ccc(-c4ccccc4-c4nc(=O)o[n-]4)cc3)c2=O)cc1 ZINC000096169957 562790963 /nfs/dbraw/zinc/79/09/63/562790963.db2.gz BBWLIANAFFZYLX-UHFFFAOYSA-N -1 0 618.637 5.939 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc([C@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCCCC2)cc1 ZINC000096170478 562791133 /nfs/dbraw/zinc/79/11/33/562791133.db2.gz BUHOCUGQWONNJV-XMMPIXPASA-N -1 0 515.536 5.224 1 0 KKAFRM Cc1cc([C@H](Nc2ccc(C(=O)NCCC(=O)[O-])cn2)C2CCCC2)cc(C)c1-n1cc(C(F)(F)F)cn1 ZINC000096170574 562791146 /nfs/dbraw/zinc/79/11/46/562791146.db2.gz CCMSZNRJWBLATB-XMMPIXPASA-N -1 0 529.563 5.451 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc([C@@H](Nc2ccc(-n3cc(C(F)(F)F)cn3)nc2)C2CCCCC2)cc1 ZINC000096170479 562791158 /nfs/dbraw/zinc/79/11/58/562791158.db2.gz BUHOCUGQWONNJV-DEOSSOPVSA-N -1 0 515.536 5.224 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(F)cc1F)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171973 562791205 /nfs/dbraw/zinc/79/12/05/562791205.db2.gz JWRZSUZCQHQCSB-DGTYLAMCSA-N -1 0 632.789 5.660 1 0 KKAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC[C@H](C)O)CC2)c2ccnn21 ZINC000096178385 562792675 /nfs/dbraw/zinc/79/26/75/562792675.db2.gz HWJBXZFWZSDTJT-OIEGUCRUSA-N -1 0 597.716 5.321 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269887 562793063 /nfs/dbraw/zinc/79/30/63/562793063.db2.gz WVVQSZOLICVIIK-ZBLYBZFDSA-N -1 0 570.635 5.386 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)[O-])c1 ZINC000096269890 562793071 /nfs/dbraw/zinc/79/30/71/562793071.db2.gz JKYVMOIZUKBTDA-SKCUWOTOSA-N -1 0 552.645 5.247 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC000096271102 562793687 /nfs/dbraw/zinc/79/36/87/562793687.db2.gz SEXLQHVQFBNERW-KDYSTLNUSA-N -1 0 574.848 5.594 1 0 KKAFRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271150 562793734 /nfs/dbraw/zinc/79/37/34/562793734.db2.gz RRQXRUXGHNHRCW-GMAHTHKFSA-N -1 0 534.546 5.194 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cccc(C(F)(F)F)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283757 562794887 /nfs/dbraw/zinc/79/48/87/562794887.db2.gz KKVYNTBAANIGJU-HSZRJFAPSA-N -1 0 567.951 6.410 1 0 KKAFRM COc1cccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000096283760 562794978 /nfs/dbraw/zinc/79/49/78/562794978.db2.gz NTOHDRUSOCIMDE-DEOSSOPVSA-N -1 0 529.980 5.400 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000096283813 562794983 /nfs/dbraw/zinc/79/49/83/562794983.db2.gz XEYPUMDHGXHSIM-HSZRJFAPSA-N -1 0 517.944 5.530 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283820 562794996 /nfs/dbraw/zinc/79/49/96/562794996.db2.gz PCWORGSTILHPDB-QHCPKHFHSA-N -1 0 578.850 6.154 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)c(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283808 562795007 /nfs/dbraw/zinc/79/50/07/562795007.db2.gz NQUYDUPBPNGCMU-QHCPKHFHSA-N -1 0 552.389 6.184 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccccc2Cl)cc1 ZINC000096284685 562795286 /nfs/dbraw/zinc/79/52/86/562795286.db2.gz FZDKOOHDWKRTIJ-UHFFFAOYSA-N -1 0 661.220 7.524 1 0 KKAFRM O=C([O-])c1ccc(Sc2ncc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1 ZINC000096285407 562795636 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/nfs/dbraw/zinc/81/84/14/562818414.db2.gz GGVKZTBCWNMNNP-ZDUSSCGKSA-N -1 0 549.246 5.485 1 0 KKAFRM COc1cccc(OC)c1-c1nc(C(=O)NC2(C(=O)[O-])C3CC4CC(C3)CC2C4)cn1-c1ccnc2cc(Cl)ccc21 ZINC000103233093 562818472 /nfs/dbraw/zinc/81/84/72/562818472.db2.gz YIBAQVBOESAWHM-UHFFFAOYSA-N -1 0 587.076 5.767 1 0 KKAFRM CCC[C@]1(c2ccccc2)CC(c2ccc3c(c2)nc(CCCCC(=O)[O-])n(-c2ccc(F)cc2)c3=O)=NO1 ZINC000103240749 562819498 /nfs/dbraw/zinc/81/94/98/562819498.db2.gz OCJLEXZRSBIUSL-WJOKGBTCSA-N -1 0 527.596 6.142 1 0 KKAFRM CC[C@@H](CS(=O)(=O)CC1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243850 562819733 /nfs/dbraw/zinc/81/97/33/562819733.db2.gz PHSXCIHKZKDKHQ-ONRXEWETSA-N -1 0 566.547 6.135 1 0 KKAFRM CC[C@@H](CS(=O)(=O)C1CCCC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103243855 562819738 /nfs/dbraw/zinc/81/97/38/562819738.db2.gz MDPNIWLYEOXYTH-OCAOGGMISA-N -1 0 580.574 6.668 1 0 KKAFRM 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ZINC000115371703 562828840 /nfs/dbraw/zinc/82/88/40/562828840.db2.gz SBCKIOLJRVQMFK-VQTJNVASSA-N -1 0 555.845 8.123 1 0 KKAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@@H](C(=O)[O-])C5)c[nH]4)c3)cc2F)c1 ZINC000116235693 562829290 /nfs/dbraw/zinc/82/92/90/562829290.db2.gz GNOLTAIPEDJTSV-QGZVFWFLSA-N -1 0 561.545 5.646 1 0 KKAFRM Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)[O-])c[nH]4)c3)cc2F)c1 ZINC000116233844 562829310 /nfs/dbraw/zinc/82/93/10/562829310.db2.gz PAZPRSISXQOGSB-SANMLTNESA-N -1 0 631.661 6.265 1 0 KKAFRM C[C@H](NC(=O)c1c(Cl)sc(Cl)c1[C@H](O[C@@H]1CCCCO1)c1cccc(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000118692877 562830471 /nfs/dbraw/zinc/83/04/71/562830471.db2.gz UUZOSJJYPGRLFD-BPSNYSSFSA-N -1 0 568.906 7.530 1 0 KKAFRM CN(Cc1ccc(-c2nccnc2[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000118911237 562830806 /nfs/dbraw/zinc/83/08/06/562830806.db2.gz HZFVBIWYOXIAFA-UHFFFAOYSA-N -1 0 567.420 6.906 1 0 KKAFRM C[C@H](CCNC(=O)OCc1ccc(C(=O)[O-])cc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118920012 562830911 /nfs/dbraw/zinc/83/09/11/562830911.db2.gz VMSFTJQGIUFPDS-AIYAVAHVSA-N -1 0 541.729 5.628 1 0 KKAFRM Cc1c2ccc(-c3ccc(Cl)cc3)cc2oc1C(=O)N[C@H](C(=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000136311033 562831132 /nfs/dbraw/zinc/83/11/32/562831132.db2.gz BDVDNRTWNCJRSH-NDEPHWFRSA-N -1 0 525.988 7.196 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000136311203 562831149 /nfs/dbraw/zinc/83/11/49/562831149.db2.gz OYMSSMFARJWZGA-VWLOTQADSA-N -1 0 526.980 5.054 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])c(OC5CCC5)c4)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000136662332 562831243 /nfs/dbraw/zinc/83/12/43/562831243.db2.gz RTJXCDFTKRDDJD-OBGWFSINSA-N -1 0 632.761 7.218 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cnccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000137687182 562831525 /nfs/dbraw/zinc/83/15/25/562831525.db2.gz STUCYMOKKHOCCU-SDNWHVSQSA-N -1 0 607.711 6.081 1 0 KKAFRM O=C([O-])c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCCCOc1ccccc1 ZINC000139400289 562832480 /nfs/dbraw/zinc/83/24/80/562832480.db2.gz FRUDYWIWTCLDFS-UHFFFAOYSA-N -1 0 584.723 6.668 1 0 KKAFRM CS(=O)(=O)Nc1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000139912432 562832805 /nfs/dbraw/zinc/83/28/05/562832805.db2.gz MAXDKGSWEZICAO-VWLOTQADSA-N -1 0 613.674 6.623 1 0 KKAFRM CC(C)COc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000140794146 562833356 /nfs/dbraw/zinc/83/33/56/562833356.db2.gz DJWGUOJYJJOKDI-SAPNQHFASA-N -1 0 634.777 7.322 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4c(C(=O)[O-])cccc43)s2)c1 ZINC000142018023 562833912 /nfs/dbraw/zinc/83/39/12/562833912.db2.gz OCQAZEACLVLCPN-VWLOTQADSA-N -1 0 526.540 5.941 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142194545 562834001 /nfs/dbraw/zinc/83/40/01/562834001.db2.gz UJYDSMLTKGNBMB-AREMUKBSSA-N -1 0 540.567 6.331 1 0 KKAFRM CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000142306380 562834156 /nfs/dbraw/zinc/83/41/56/562834156.db2.gz RQNXTFPPWHDPDU-WMMXXEOUSA-N -1 0 570.535 5.716 1 0 KKAFRM Cc1cc(Nc2cc(C3CCCCC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000142502746 562834223 /nfs/dbraw/zinc/83/42/23/562834223.db2.gz HCBQWBAQKUCWRP-HKBQPEDESA-N -1 0 540.689 6.970 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2Oc2ccc(F)cc2Cl)cc1 ZINC000143217653 562834777 /nfs/dbraw/zinc/83/47/77/562834777.db2.gz BAVGXISUWOMPHG-UHFFFAOYSA-N -1 0 503.782 6.876 1 0 KKAFRM CC(C)(C)n1cc(CN2CC[C@]3(C2)CN(c2ccc(C(=O)[O-])cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623787 562836525 /nfs/dbraw/zinc/83/65/25/562836525.db2.gz BKWNZAPXGXJSPH-MHZLTWQESA-N -1 0 528.531 5.022 1 0 KKAFRM CC[C@H]1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OC4CCC(C(=O)[O-])CC4)nc3)cc2O1 ZINC000145289160 562836929 /nfs/dbraw/zinc/83/69/29/562836929.db2.gz DBKPUTHSJOYCRT-JWLIYLPMSA-N -1 0 501.583 5.980 1 0 KKAFRM C[C@](Cc1ccccc1)(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)[O-] ZINC000145573934 562837359 /nfs/dbraw/zinc/83/73/59/562837359.db2.gz UHSJVEGLRQTHIT-MUAVYFROSA-N -1 0 514.603 5.818 1 0 KKAFRM COc1ccc(Nc2nc(-c3cccc(C(=O)Nc4ccc(CC(=O)[O-])cc4)c3)cn3ccnc23)cc1OC ZINC000145579512 562837362 /nfs/dbraw/zinc/83/73/62/562837362.db2.gz GHMVPMZBVJXDGR-UHFFFAOYSA-N -1 0 523.549 5.037 1 0 KKAFRM O=C([O-])[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(F)(F)F ZINC000145668230 562837455 /nfs/dbraw/zinc/83/74/55/562837455.db2.gz BASVASFOLNEJSI-QRVBRYPASA-N -1 0 518.513 5.337 1 0 KKAFRM O=C([O-])C=Cc1ccc(/C(=C(\c2ccc(C(F)(F)F)cc2Cl)C2CCC2)c2ccc3[nH]nc(F)c3c2)cc1 ZINC000146331215 562838424 /nfs/dbraw/zinc/83/84/24/562838424.db2.gz FKJPZJWJOGXQOG-YELFRASBSA-N -1 0 540.944 8.231 1 0 KKAFRM Cc1cc([C@@H]2C[C@H]2[C@@H](OCCC2CCCCC2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000146316596 562838430 /nfs/dbraw/zinc/83/84/30/562838430.db2.gz LJNKNSLLALFXBC-REUBFRLUSA-N -1 0 548.642 8.276 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cccc(F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147323385 562839273 /nfs/dbraw/zinc/83/92/73/562839273.db2.gz MNZZTNNRXMEJSU-FVXHTOHKSA-N -1 0 521.633 5.355 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147372910 562839322 /nfs/dbraw/zinc/83/93/22/562839322.db2.gz PNKQRDZEXXNSKU-MEICJLBASA-N -1 0 582.536 5.762 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147376751 562839328 /nfs/dbraw/zinc/83/93/28/562839328.db2.gz XSFDICUHIRJKNV-WRXSBIAOSA-N -1 0 556.078 6.009 1 0 KKAFRM CC(C)[C@@H](c1ccccn1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000147438086 562839334 /nfs/dbraw/zinc/83/93/34/562839334.db2.gz WELWVRMWMNQKHD-GOJGNYKUSA-N -1 0 525.476 7.324 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C3CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148018758 562839864 /nfs/dbraw/zinc/83/98/64/562839864.db2.gz MFBMLBIWKOKQBG-UHFFFAOYSA-N -1 0 551.662 7.419 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)cc2)cn1 ZINC000148090755 562840222 /nfs/dbraw/zinc/84/02/22/562840222.db2.gz BEMSGSOVIAFPGZ-UHFFFAOYSA-N -1 0 571.958 7.044 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)cn1 ZINC000148215239 562840548 /nfs/dbraw/zinc/84/05/48/562840548.db2.gz XJMQAACBZOMAOK-UHFFFAOYSA-N -1 0 556.396 6.817 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cc1F ZINC000148289712 562840848 /nfs/dbraw/zinc/84/08/48/562840848.db2.gz HGTKQJOPKUDBHW-UHFFFAOYSA-N -1 0 520.963 6.769 1 0 KKAFRM Cc1cc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)[O-])nc2)ccc1-c1ccc(Cl)cc1 ZINC000148328070 562840988 /nfs/dbraw/zinc/84/09/88/562840988.db2.gz BNXXOXNANURZKE-UHFFFAOYSA-N -1 0 602.440 7.866 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148797275 562841870 /nfs/dbraw/zinc/84/18/70/562841870.db2.gz ZBGUZLNWMIQAEZ-UHFFFAOYSA-N -1 0 549.646 7.329 1 0 KKAFRM Cc1cc2nc(-c3c(I)cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)[O-])C(C)C)cc3I)[nH]c2cc1C ZINC000150565493 562844971 /nfs/dbraw/zinc/84/49/71/562844971.db2.gz SDZWUTSTZXIJKU-XEVVZDEMSA-N -1 0 861.519 5.613 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)OC[C@H](O)[C@H]4OC(=O)C(O)=C4[O-])CC[C@]23C)C1(C)C ZINC000150565843 562844988 /nfs/dbraw/zinc/84/49/88/562844988.db2.gz IWIICBAWBKQUKS-QWSVDJEBSA-N -1 0 656.857 6.877 1 0 KKAFRM Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc5ccccc5c4O)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583430 562845667 /nfs/dbraw/zinc/84/56/67/562845667.db2.gz IYPDWGMLKGVZCL-CTHPAAIQSA-N -1 0 702.792 7.886 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n([C@H](C(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)c1=O ZINC000150597081 562846788 /nfs/dbraw/zinc/84/67/88/562846788.db2.gz UKKUIIUGCVLVIK-PMERELPUSA-N -1 0 795.240 6.773 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600949 562847188 /nfs/dbraw/zinc/84/71/88/562847188.db2.gz BFJAIYQABNCWFG-UMSFTDKQSA-N -1 0 803.816 7.930 1 0 KKAFRM COc1cccc([N-]S(C)(=O)=O)c1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000150603134 562847383 /nfs/dbraw/zinc/84/73/83/562847383.db2.gz UNFSVUGGDWHOPR-QHCPKHFHSA-N -1 0 647.480 5.538 1 0 KKAFRM CC(C)c1nc(CN(C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 ZINC000150604107 562847545 /nfs/dbraw/zinc/84/75/45/562847545.db2.gz LGNYHLQWWSCHTL-WUNLWTINSA-N -1 0 720.918 5.753 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6Cl)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000150606306 562847919 /nfs/dbraw/zinc/84/79/19/562847919.db2.gz XTFXIZCRKOTDHL-BAGDWPAPSA-N -1 0 693.365 10.240 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@H](CC3=CCc4ccccc43)C(=O)[O-])CC[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 ZINC000150613869 562848737 /nfs/dbraw/zinc/84/87/37/562848737.db2.gz QLFNUGWFIFJKEF-WLZUWKAKSA-N -1 0 655.964 9.138 1 0 KKAFRM O=C([O-])c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)sc1CCOc1cccc(-n2ncc3cncnc32)c1 ZINC000163968400 562849485 /nfs/dbraw/zinc/84/94/85/562849485.db2.gz NLTMWGNDANWOHE-UHFFFAOYSA-N -1 0 674.768 6.016 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(C[C@@H](OC(C)=O)c1ccc(OC)cc1)c2=O ZINC000167016225 562850609 /nfs/dbraw/zinc/85/06/09/562850609.db2.gz COYUOHHAJJKUMT-GDLZYMKVSA-N -1 0 656.692 5.298 1 0 KKAFRM CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(F)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)[nH]1 ZINC000169136130 562851648 /nfs/dbraw/zinc/85/16/48/562851648.db2.gz KZMYCEFLGQGPOK-UHFFFAOYSA-N -1 0 536.967 5.285 1 0 KKAFRM C/C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000169298366 562852664 /nfs/dbraw/zinc/85/26/64/562852664.db2.gz RSKOPEQHBSFOLQ-VTVGBHBKSA-N -1 0 568.795 7.060 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 ZINC000169302647 562853119 /nfs/dbraw/zinc/85/31/19/562853119.db2.gz XWJDOUMQQBXBHA-UHFFFAOYSA-N -1 0 526.643 6.234 1 0 KKAFRM O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000169303926 562853242 /nfs/dbraw/zinc/85/32/42/562853242.db2.gz OPAHQTWJPPBGRE-UHFFFAOYSA-N -1 0 512.616 5.925 1 0 KKAFRM CC[C@@H](CN(c1ccccc1F)S(=O)(=O)C1CC1)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307579 562853864 /nfs/dbraw/zinc/85/38/64/562853864.db2.gz SXZRYPDVACMWHO-JTOAADIHSA-N -1 0 649.568 6.394 1 0 KKAFRM CC(C)(C)n1nnnc1[C@@H](c1ccco1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308602 562854164 /nfs/dbraw/zinc/85/41/64/562854164.db2.gz DMCKYPGHYCPKAY-HHHXNRCGSA-N -1 0 653.637 5.152 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169309646 562854447 /nfs/dbraw/zinc/85/44/47/562854447.db2.gz IRXHRNNYERLRSZ-BUXNRPJVSA-N -1 0 676.638 6.919 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@](C)(Cc2ccc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169310021 562854595 /nfs/dbraw/zinc/85/45/95/562854595.db2.gz PNBIDSMJDDJULQ-XWJIURCXSA-N -1 0 657.660 7.385 1 0 KKAFRM CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc([O-])c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311017 562854996 /nfs/dbraw/zinc/85/49/96/562854996.db2.gz MRMMGDLQIQYRDA-FHZWTJGSSA-N -1 0 590.798 5.610 1 0 KKAFRM CCOC(=O)C[C@H](C[C@@]1(C)C(=O)C[C@H](CC)[C@H]2[C@@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]21)C(=O)[O-] ZINC000169323288 562856987 /nfs/dbraw/zinc/85/69/87/562856987.db2.gz ZDPNSRXIAOCESG-REOFKUKGSA-N -1 0 518.779 7.557 1 0 KKAFRM Cc1ccc(F)cc1[C@@H]1NC(=O)C[C@H](c2cc(Cl)cnc2CC(C)(C)C(=O)[O-])[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169328529 562858369 /nfs/dbraw/zinc/85/83/69/562858369.db2.gz NIJIKUOFRIQKST-ZCAZLTSLSA-N -1 0 570.448 5.724 1 0 KKAFRM CC[C@H](CC(=O)[O-])c1ccnc(OCc2ccc(-c3cc(OC)ncc3F)c([C@@H]3CCCC3(C)C)c2)c1 ZINC000169346883 562861859 /nfs/dbraw/zinc/86/18/59/562861859.db2.gz WBBGKTVNXAOMAX-NLFFAJNJSA-N -1 0 506.618 7.132 1 0 KKAFRM CCOC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(C(=O)[O-])c6)c5c4)cc32)c1 ZINC000169348514 562862274 /nfs/dbraw/zinc/86/22/74/562862274.db2.gz XGWPJFFAOLLROJ-UHFFFAOYSA-N -1 0 528.608 7.235 1 0 KKAFRM COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)[O-])CCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000169352858 562863274 /nfs/dbraw/zinc/86/32/74/562863274.db2.gz BZDKIGSEQXJOOB-UHFFFAOYSA-N -1 0 535.000 5.275 1 0 KKAFRM CCN(CC)C(=O)Cc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2 ZINC000169682082 562865011 /nfs/dbraw/zinc/86/50/11/562865011.db2.gz VHLSNTRFOREKLA-CQVYMVDESA-N -1 0 794.939 5.459 1 0 in-man KKAFRM O=C([N-]C1(C(=O)N[C@@H]2CCCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000169697126 562866427 /nfs/dbraw/zinc/86/64/27/562866427.db2.gz VWEXBIUSTBETLM-GOSISDBHSA-N -1 0 551.339 6.009 1 0 KKAFRM C[C@]1(C2CCCCC2)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169700295 562867672 /nfs/dbraw/zinc/86/76/72/562867672.db2.gz HTYBVPZUZATDHI-NDEPHWFRSA-N -1 0 544.479 5.368 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000169702707 562868554 /nfs/dbraw/zinc/86/85/54/562868554.db2.gz FRPGBMOYENLIED-UHFFFAOYSA-N -1 0 624.393 7.836 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2ccc(CO)cc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 ZINC000169702702 562868571 /nfs/dbraw/zinc/86/85/71/562868571.db2.gz TYGJPTIVZBEMOD-UHFFFAOYSA-N -1 0 550.442 6.031 1 0 KKAFRM Cc1cccc(-c2nc3cc(C(=O)[O-])nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169708086 562870217 /nfs/dbraw/zinc/87/02/17/562870217.db2.gz UUYMJIITKWMGPA-QGZVFWFLSA-N -1 0 508.544 6.773 1 0 KKAFRM COc1ncc(-c2ccc(C(=O)[O-])cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cccc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709105 562870391 /nfs/dbraw/zinc/87/03/91/562870391.db2.gz NYRDRYUCCMBUJF-YTCPBCGMSA-N -1 0 656.579 8.865 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)cc12 ZINC000199335866 562872905 /nfs/dbraw/zinc/87/29/05/562872905.db2.gz KSKLBIYBQQLBTF-DEOSSOPVSA-N -1 0 552.674 8.316 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cccc(F)c2)=NC12CCC([Si](C)(C)C)CC2 ZINC000199416612 562872961 /nfs/dbraw/zinc/87/29/61/562872961.db2.gz RBMROQXTXSWPGO-IXDCWVCYSA-N -1 0 607.843 7.208 1 0 KKAFRM Nc1c2ccc(-c3ccc(Cl)cc3)cc2oc1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202310714 562873619 /nfs/dbraw/zinc/87/36/19/562873619.db2.gz CYCXTGQBUNAAGV-AREMUKBSSA-N -1 0 541.003 6.340 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2nccc(-c3ccc(Cl)cc3)n2n1 ZINC000202312778 562873627 /nfs/dbraw/zinc/87/36/27/562873627.db2.gz YGKQFOUTOULEKA-VWLOTQADSA-N -1 0 526.980 5.054 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202311700 562873637 /nfs/dbraw/zinc/87/36/37/562873637.db2.gz JDHGPHTWAFKTRA-SANMLTNESA-N -1 0 525.992 5.659 1 0 KKAFRM Cn1c(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])cc2ccc(-c3ccc(Cl)cc3)cc21 ZINC000202313622 562873648 /nfs/dbraw/zinc/87/36/48/562873648.db2.gz BDFJOPQBXQYVJO-NDEPHWFRSA-N -1 0 539.031 6.503 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202318809 562873695 /nfs/dbraw/zinc/87/36/95/562873695.db2.gz KIERIOVQFXMROZ-SANMLTNESA-N -1 0 525.008 5.693 1 0 KKAFRM Nc1cccc(COc2ccc(CC(=O)N[C@]3(C(=O)[O-])Cc4ccc(-c5ccc(Cl)cc5)cc4C3)cc2)c1 ZINC000202320221 562873698 /nfs/dbraw/zinc/87/36/98/562873698.db2.gz DETFYOMDQNLVQC-WJOKGBTCSA-N -1 0 527.020 5.449 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(CCc3ccccc3)ccc2n1 ZINC000202321742 562873701 /nfs/dbraw/zinc/87/37/01/562873701.db2.gz TWSXTSPPLQSRBN-NDEPHWFRSA-N -1 0 519.601 5.124 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2F)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202320725 562873704 /nfs/dbraw/zinc/87/37/04/562873704.db2.gz UTFDQDFQXYQYFO-AREMUKBSSA-N -1 0 543.982 5.799 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccccc3Cl)ccc2n1 ZINC000202321510 562873709 /nfs/dbraw/zinc/87/37/09/562873709.db2.gz HBXLOJINWBKPHW-SANMLTNESA-N -1 0 525.992 5.659 1 0 KKAFRM Cn1ccc2c1c(N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1)ncc2Cl ZINC000203776937 562874125 /nfs/dbraw/zinc/87/41/25/562874125.db2.gz FOTKUWYWQMRYPJ-UHFFFAOYSA-N -1 0 539.919 5.219 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2[nH]1 ZINC000204675006 562874589 /nfs/dbraw/zinc/87/45/89/562874589.db2.gz UHTMZPBAWRONNS-GDLZYMKVSA-N -1 0 525.004 6.493 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCCCN2CCOCC2)cc1 ZINC000205036911 562874832 /nfs/dbraw/zinc/87/48/32/562874832.db2.gz AYHUWYHEOPREIH-UHFFFAOYSA-N -1 0 596.536 6.601 1 0 KKAFRM CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)C1 ZINC000205283287 562875060 /nfs/dbraw/zinc/87/50/60/562875060.db2.gz HKSAGIGRQWXHMH-UHFFFAOYSA-N -1 0 536.600 6.397 1 0 KKAFRM Cc1c(CC(=O)[O-])cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000205722527 562875825 /nfs/dbraw/zinc/87/58/25/562875825.db2.gz XEWLFKHFQKHTIP-UHFFFAOYSA-N -1 0 586.937 7.966 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](c3cccc(C(C)C)c3)C(F)(F)F)cc12 ZINC000205969456 562875998 /nfs/dbraw/zinc/87/59/98/562875998.db2.gz HUWYEWSRWXKTAX-XIFFEERXSA-N -1 0 598.665 8.828 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(C(C)C)cc3)cc12 ZINC000205977687 562876029 /nfs/dbraw/zinc/87/60/29/562876029.db2.gz PLVLHFFVGPMWLJ-UHFFFAOYSA-N -1 0 530.668 7.725 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cncc(Br)c3)cc12 ZINC000205979773 562876030 /nfs/dbraw/zinc/87/60/30/562876030.db2.gz MMNOXRNWNIPRCU-FQEVSTJZSA-N -1 0 582.498 7.320 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3ccc(C4CC4)nc3)cc12 ZINC000205987059 562876072 /nfs/dbraw/zinc/87/60/72/562876072.db2.gz OCMRCQQELDIZEH-JOCHJYFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12 ZINC000206005276 562876142 /nfs/dbraw/zinc/87/61/42/562876142.db2.gz KRXDIBIZFQXWGE-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM Cc1c(C)n(Cc2cccc(C3(C(=O)[O-])CC3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206011570 562876194 /nfs/dbraw/zinc/87/61/94/562876194.db2.gz BKVYSZWMHVHMRG-NRFANRHFSA-N -1 0 506.646 6.791 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)[O-])cc1 ZINC000209375034 562876889 /nfs/dbraw/zinc/87/68/89/562876889.db2.gz JHPSLFHGWGTITM-LSYYVWMOSA-N -1 0 540.616 6.036 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(-c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000216502097 562877465 /nfs/dbraw/zinc/87/74/65/562877465.db2.gz GJRSZFMVLKZYJU-UHFFFAOYSA-N -1 0 526.589 6.443 1 0 KKAFRM Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 ZINC000218130089 562877807 /nfs/dbraw/zinc/87/78/07/562877807.db2.gz MSKOBRXEYIPRRS-UHFFFAOYSA-N -1 0 562.386 6.200 1 0 KKAFRM Cc1cnc(COc2ccc3nc(CC(C)(C)C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)c(F)c1 ZINC000218129876 562877823 /nfs/dbraw/zinc/87/78/23/562877823.db2.gz ORUOJVCBKJGCPS-UHFFFAOYSA-N -1 0 526.406 5.922 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)nc1 ZINC000218197839 562877846 /nfs/dbraw/zinc/87/78/46/562877846.db2.gz VQPDCPFMSUZBHS-XZOQPEGZSA-N -1 0 557.544 6.763 1 0 KKAFRM Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)c(F)c1 ZINC000218151977 562877849 /nfs/dbraw/zinc/87/78/49/562877849.db2.gz UKVIUBXBDXPOOI-WUFINQPMSA-N -1 0 617.643 8.550 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4)c3c2)nc1 ZINC000218197945 562877858 /nfs/dbraw/zinc/87/78/58/562877858.db2.gz RGPXUDCWUQOZDE-BJKOFHAPSA-N -1 0 539.554 6.624 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@H]4CCCC[C@H]4C(=O)[O-])n3Cc3ccc(Br)cc3)c(Cl)c2)nc1 ZINC000218295948 562877892 /nfs/dbraw/zinc/87/78/92/562877892.db2.gz YUDZXBAUSZSJCS-XZOQPEGZSA-N -1 0 568.899 7.141 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3cccc(N)c3)cc12 ZINC000219232371 562877991 /nfs/dbraw/zinc/87/79/91/562877991.db2.gz PEJDJWGIKRMIKQ-UHFFFAOYSA-N -1 0 503.602 6.184 1 0 KKAFRM COc1ncc(-c2cccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@H]3[C@@H](C(=O)[O-])C3(C)C)c2)cn1 ZINC000219348820 562878057 /nfs/dbraw/zinc/87/80/57/562878057.db2.gz DVKABHRMWXJKAO-JSOSNVBQSA-N -1 0 585.664 6.502 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4cc(F)ccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000219380014 562878180 /nfs/dbraw/zinc/87/81/80/562878180.db2.gz URSCTMAPJHPZGX-UHFFFAOYSA-N -1 0 562.439 6.767 1 0 KKAFRM C[C@@H](c1ccc(Br)cc1)n1c(CC(C)(C)C(=O)[O-])nc2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000219463472 562878252 /nfs/dbraw/zinc/87/82/52/562878252.db2.gz WNBPBAXFNRFRQS-IBGZPJMESA-N -1 0 558.476 7.189 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(C(F)(F)F)ccc1Cl ZINC000219598992 562878305 /nfs/dbraw/zinc/87/83/05/562878305.db2.gz QXUIGTNWLMURDI-UHFFFAOYSA-N -1 0 528.766 8.821 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(Cl)cc(Cl)c1Cl ZINC000219600731 562878313 /nfs/dbraw/zinc/87/83/13/562878313.db2.gz UCQQQGBOLDLXEQ-UHFFFAOYSA-N -1 0 529.659 9.109 1 0 KKAFRM Cc1nc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)no1 ZINC000220523223 562878518 /nfs/dbraw/zinc/87/85/18/562878518.db2.gz WOBUJFZVVSUNQN-NSOVKSMOSA-N -1 0 573.653 6.929 1 0 KKAFRM CC[C@@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@@H]1CC(=O)[O-] ZINC000221978397 562879485 /nfs/dbraw/zinc/87/94/85/562879485.db2.gz ODPBHDCZTYQTGE-JYFHCDHNSA-N -1 0 528.546 7.008 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ccccc2C(F)F)CC1 ZINC000224362427 562880429 /nfs/dbraw/zinc/88/04/29/562880429.db2.gz SPSTWGVOXKBKQB-UHFFFAOYSA-N -1 0 537.588 5.097 1 0 KKAFRM CC(C)(C(=O)[O-])c1ccc(Oc2cc(NC(=O)N3CC[C@](O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224467410 562880479 /nfs/dbraw/zinc/88/04/79/562880479.db2.gz AFNDMYLRRQXVOM-JGCGQSQUSA-N -1 0 562.638 6.931 1 0 KKAFRM COc1cc(-c2c(F)cccc2F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225103796 562880733 /nfs/dbraw/zinc/88/07/33/562880733.db2.gz KIFAYLIPHQRPFM-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM O=S(=O)([N-]c1ncc(F)s1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2-n2ccnc2)c1 ZINC000225118092 562880749 /nfs/dbraw/zinc/88/07/49/562880749.db2.gz GMERQYNMQXFQDH-UHFFFAOYSA-N -1 0 518.517 6.108 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n3Cc3ccc(Br)cc3)c(F)c2)nc1 ZINC000226016750 562880815 /nfs/dbraw/zinc/88/08/15/562880815.db2.gz LALHBDKNRRNISP-PKTZIBPZSA-N -1 0 552.444 6.627 1 0 KKAFRM Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3c2)n1 ZINC000226026775 562880840 /nfs/dbraw/zinc/88/08/40/562880840.db2.gz QDTGFSDRCIWRKE-FTJBHMTQSA-N -1 0 623.075 8.095 1 0 KKAFRM Cn1ccc(COc2cc3c(cc2F)nc([C@@H]2CCCC[C@@H]2C(=O)[O-])n3Cc2ccc(OC(F)(F)F)cc2F)n1 ZINC000226018932 562880846 /nfs/dbraw/zinc/88/08/46/562880846.db2.gz VFFWXBZUVYCIKJ-MOPGFXCFSA-N -1 0 564.511 5.932 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000226025711 562880857 /nfs/dbraw/zinc/88/08/57/562880857.db2.gz UPZODWZZMTWYBJ-UHFFFAOYSA-N -1 0 536.470 6.563 1 0 KKAFRM CCC(CC)(Cc1nc2c(cc(OCc3ccc(C)cn3)cc2F)n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000226022615 562880858 /nfs/dbraw/zinc/88/08/58/562880858.db2.gz PBGOQJVWTPGFQZ-UHFFFAOYSA-N -1 0 554.460 6.702 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4Cl)c3c2)nc1 ZINC000226033210 562880866 /nfs/dbraw/zinc/88/08/66/562880866.db2.gz KXAAXDXRTIWCIT-PKTZIBPZSA-N -1 0 573.999 7.277 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)nc1 ZINC000226036909 562880886 /nfs/dbraw/zinc/88/08/86/562880886.db2.gz SKNKYLHAHZSKOG-KYJUHHDHSA-N -1 0 599.653 8.411 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4cccc(-c5ccc(C(F)(F)F)cc5)c4)c3c2)n1 ZINC000226028782 562880887 /nfs/dbraw/zinc/88/08/87/562880887.db2.gz VVVRYENYLPVZME-IZLXSDGUSA-N -1 0 588.630 7.441 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)c(C)c4)c3c2)nc1 ZINC000226041803 562880894 /nfs/dbraw/zinc/88/08/94/562880894.db2.gz DMWYBVXSZUBCQF-RPWUZVMVSA-N -1 0 553.581 6.932 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ncccn2)cc1 ZINC000226093556 562880934 /nfs/dbraw/zinc/88/09/34/562880934.db2.gz MMKZKCWPBYLQQT-WDYNHAJCSA-N -1 0 569.665 7.027 1 0 KKAFRM CS(=O)(=O)Nc1cccc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)c1 ZINC000226098900 562880940 /nfs/dbraw/zinc/88/09/40/562880940.db2.gz WDIHZJYVHJJZGP-UHFFFAOYSA-N -1 0 660.796 7.438 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccn2)cc1)C(=O)[O-] ZINC000226101062 562880957 /nfs/dbraw/zinc/88/09/57/562880957.db2.gz QWYPFKQGLHIXCT-UHFFFAOYSA-N -1 0 542.639 6.927 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccccc2F)cc1)C(=O)[O-] ZINC000226107879 562880970 /nfs/dbraw/zinc/88/09/70/562880970.db2.gz UEOWIUQFEKYKFZ-UHFFFAOYSA-N -1 0 559.641 7.671 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1)C(=O)[O-] ZINC000226108319 562880991 /nfs/dbraw/zinc/88/09/91/562880991.db2.gz UKUXDNQQGJHFGS-UHFFFAOYSA-N -1 0 619.743 6.936 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2nccs2)cc1)C(=O)[O-] ZINC000226126849 562881038 /nfs/dbraw/zinc/88/10/38/562881038.db2.gz PDJWYMZCTNJILV-UHFFFAOYSA-N -1 0 548.668 6.989 1 0 KKAFRM Cc1ccccc1Cn1c2ccc(OCc3ccc4ccccc4n3)cc2nc1[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000226129639 562881041 /nfs/dbraw/zinc/88/10/41/562881041.db2.gz IURWJKFUKNYJSB-SXOMAYOGSA-N -1 0 505.618 6.879 1 0 KKAFRM CC(C)(C)[C@@H](CS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299823801 562883022 /nfs/dbraw/zinc/88/30/22/562883022.db2.gz AGWDYKXVWBCGDU-HSRPRZCRSA-N -1 0 657.660 7.339 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)CCC/C=C\c2cc(nc(-c3ccccc3)n2)Oc2ccc1cc2)C(C)(C)C ZINC000299826139 562883784 /nfs/dbraw/zinc/88/37/84/562883784.db2.gz XQZCRVGQPRCJCH-PCKJXANDSA-N -1 0 782.920 6.538 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)NCC2CC2)C2CC2)C1=O ZINC000299826760 562883983 /nfs/dbraw/zinc/88/39/83/562883983.db2.gz HYAVQGODBWRNSC-GCMXZSHTSA-N -1 0 593.573 5.640 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(-c3ccco3)c2)c1 ZINC000299826926 562884024 /nfs/dbraw/zinc/88/40/24/562884024.db2.gz INLVNBHMUINFBA-UHFFFAOYSA-N -1 0 621.387 5.691 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)CCC(=O)Nc2cccc(OCc3ccccc3)c2)c1 ZINC000299829169 562884741 /nfs/dbraw/zinc/88/47/41/562884741.db2.gz QJQUTRUFDWVSGC-UHFFFAOYSA-N -1 0 689.506 6.790 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299829736 562884993 /nfs/dbraw/zinc/88/49/93/562884993.db2.gz RQIOKZPMPGNZSC-WGXWOWJBSA-N -1 0 624.903 8.928 1 0 KKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(NC(=O)CCCC(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000299830065 562885069 /nfs/dbraw/zinc/88/50/69/562885069.db2.gz MAIVVEQGDHCLQW-OTNGOTFXSA-N -1 0 541.817 7.128 1 0 KKAFRM COc1cc(CCc2cc(O)cc(O)c2Cc2c(O)cc(O)cc2CCc2ccc(O)c(OC)c2)ccc1O ZINC000299830386 562885210 /nfs/dbraw/zinc/88/52/10/562885210.db2.gz WNLAEHYFLUELPE-UHFFFAOYSA-N -1 0 532.589 5.099 1 0 KKAFRM CC[C@@H](c1cnco1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299830818 562885351 /nfs/dbraw/zinc/88/53/51/562885351.db2.gz PJXXNGIVMUTKHE-XVOWXPBNSA-N -1 0 501.410 6.671 1 0 KKAFRM CC[C@H](Oc1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)cc1)C(=O)[O-] ZINC000299831057 562885451 /nfs/dbraw/zinc/88/54/51/562885451.db2.gz IUFFNKJGFZJHKG-MHZLTWQESA-N -1 0 526.651 5.605 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)Nc2ccccc2)C2CC2)C1=O ZINC000299832974 562886012 /nfs/dbraw/zinc/88/60/12/562886012.db2.gz MPXHELWZIXFWHP-WNNCOPHBSA-N -1 0 615.579 6.752 1 0 KKAFRM CC(C)(C)[C@@H](CS(=O)(=O)N1CC(C)(C)c2ccccc21)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299833037 562886065 /nfs/dbraw/zinc/88/60/65/562886065.db2.gz NDQXOCTZQJAXLF-PJJBFEFNSA-N -1 0 685.714 8.074 1 0 KKAFRM C[C@@]1(C(=O)[O-])CN(c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)c2c1c(Cl)ccc2O ZINC000299833898 562886292 /nfs/dbraw/zinc/88/62/92/562886292.db2.gz OFECMUPSNGJBAJ-HSZRJFAPSA-N -1 0 530.393 5.842 1 0 KKAFRM CO[N-]C(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)OC(C)(C)C ZINC000299833879 562886296 /nfs/dbraw/zinc/88/62/96/562886296.db2.gz AJDQNFIFEWLUPF-AFEGWXKPSA-N -1 0 771.964 5.278 1 0 KKAFRM CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000299834048 562886400 /nfs/dbraw/zinc/88/64/00/562886400.db2.gz RCMWQGKXOQCPHM-KLAILNCOSA-N -1 0 529.600 5.715 1 0 KKAFRM COC(=O)[C@H](CCSC)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3C(=O)CC[C@@H]1OC(=O)CCC(=O)[O-] ZINC000299837009 562887379 /nfs/dbraw/zinc/88/73/79/562887379.db2.gz OYTUZUSUAAMIIY-XJBXCEEBSA-N -1 0 659.886 5.594 1 0 KKAFRM CC(C)c1occ(COc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000299837645 562887545 /nfs/dbraw/zinc/88/75/45/562887545.db2.gz OWZKINDEUIPULJ-MDZDMXLPSA-N -1 0 571.884 9.390 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccccc1)c1ccccc1NC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000299837691 562887617 /nfs/dbraw/zinc/88/76/17/562887617.db2.gz PDTUDXQJKQVCPQ-UHFFFAOYSA-N -1 0 531.556 5.236 1 0 KKAFRM C[C@]12CC[C@@H]([C@H](CCC(=O)[O-])C(=O)OCc3ccccc3)[C@]1(C)CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000299840379 562888544 /nfs/dbraw/zinc/88/85/44/562888544.db2.gz VHAMUAPHHPFYFH-XDPXTERHSA-N -1 0 534.737 7.529 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(-[n+]5ccccc5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299841366 562888859 /nfs/dbraw/zinc/88/88/59/562888859.db2.gz ZLHIFQOJNDSGIX-WUJLNSSWSA-O -1 0 775.872 5.031 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H](C)N(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000299853133 562891091 /nfs/dbraw/zinc/89/10/91/562891091.db2.gz GGZBHHZGRBLGOB-IBGZPJMESA-N -1 0 516.550 5.624 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1[C@H](O)COc1ccc([C@H](C)N(CC(=O)[O-])C(=O)Oc2ccc(O)cc2)cc1 ZINC000299853869 562891256 /nfs/dbraw/zinc/89/12/56/562891256.db2.gz RHLKAFSKMPXLEZ-AVRWGWEMSA-N -1 0 532.549 5.115 1 0 KKAFRM C[C@]1(OC(=O)[O-])CO[C@@]2(C[C@@H]([C@@H]3CC[C@]45C[C@]34C=C[C@H]3[C@@]5(C)C(=O)C[C@H]4[C@@]5(C)CO[C@H](c6ccccc6)CC5=CC[C@]34C)C(=O)O2)C1 ZINC000299855470 562891649 /nfs/dbraw/zinc/89/16/49/562891649.db2.gz FGPLCBKMJPRSOY-DBKNPJPYSA-N -1 0 642.789 7.192 1 0 KKAFRM COc1ccc(Cl)cc1CN1C(=O)OC(C)(C)c2ccc(C(=O)Nc3ccc(CC(=O)[O-])c(Cl)c3)cc21 ZINC000299857686 562892337 /nfs/dbraw/zinc/89/23/37/562892337.db2.gz OYNWSASPALPOTR-UHFFFAOYSA-N -1 0 543.403 6.273 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(CCCC)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299860015 562892876 /nfs/dbraw/zinc/89/28/76/562892876.db2.gz IUMONHZAPCDTCK-LGUFXXKBSA-N -1 0 540.622 8.864 1 0 KKAFRM COc1ccc(Cn2c(-c3ccc(O)cc3)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000299862009 562893513 /nfs/dbraw/zinc/89/35/13/562893513.db2.gz MJLFBMRLSQLADY-UHFFFAOYSA-N -1 0 656.740 5.110 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299865762 562894518 /nfs/dbraw/zinc/89/45/18/562894518.db2.gz OBXHKNFEBZDGKQ-OUKQBFOZSA-N -1 0 612.662 5.225 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299866106 562894584 /nfs/dbraw/zinc/89/45/84/562894584.db2.gz VGCBWJFUNWXLJW-BUHFOSPRSA-N -1 0 643.144 6.129 1 0 KKAFRM CCCC/C(=C\c1cc(OCCc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299866488 562894676 /nfs/dbraw/zinc/89/46/76/562894676.db2.gz VXHKYFNGENYMQY-OQKWZONESA-N -1 0 566.538 8.583 1 0 KKAFRM CCCC/C(=C\c1cc(OCC2CCC(C(F)(F)F)CC2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299867736 562894933 /nfs/dbraw/zinc/89/49/33/562894933.db2.gz YQTNGMRECFIVQS-RCCKNPSSSA-N -1 0 558.559 8.690 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)c(C)c(-c2ccc(F)cn2)n3C2CCCCC2)cnc1/C=C/C(=O)[O-] ZINC000299868176 562895060 /nfs/dbraw/zinc/89/50/60/562895060.db2.gz RCHCMFCHBVDPCQ-JQIJEIRASA-N -1 0 628.705 6.090 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)Nc2ccccc2C(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299868926 562895226 /nfs/dbraw/zinc/89/52/26/562895226.db2.gz SSRSAHVFRVMXAG-GXPCTCNKSA-N -1 0 699.697 7.776 1 0 KKAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)[O-])C[C@H]3O)n2C2CCCCC2)ccn1 ZINC000299871949 562895846 /nfs/dbraw/zinc/89/58/46/562895846.db2.gz ZNXYLXPOVFQCEW-TUACAJSNSA-N -1 0 552.672 5.921 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)cc(Cl)c3)cc21 ZINC000473086931 562897123 /nfs/dbraw/zinc/89/71/23/562897123.db2.gz IUTDUNRJDZTXNI-SSEXGKCCSA-N -1 0 682.114 9.174 1 0 KKAFRM COc1cncc(-c2nn([C@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)c1 ZINC000473088987 562897337 /nfs/dbraw/zinc/89/73/37/562897337.db2.gz PTVASZSCDDSSPC-LJQANCHMSA-N -1 0 604.585 6.486 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090242 562897506 /nfs/dbraw/zinc/89/75/06/562897506.db2.gz VQNHGDPPUYYRQL-SFHVURJKSA-N -1 0 651.041 6.835 1 0 KKAFRM COc1ccc(-c2nn([C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cn1 ZINC000473090503 562897575 /nfs/dbraw/zinc/89/75/75/562897575.db2.gz WATGTXVHHAETQR-IBGZPJMESA-N -1 0 604.585 6.486 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 ZINC000473090730 562897598 /nfs/dbraw/zinc/89/75/98/562897598.db2.gz XFRFVGHDRBIEOP-SSEXGKCCSA-N -1 0 697.676 9.401 1 0 KKAFRM COc1cc(OC)cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2ccc(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)C2CCCCC2)c1 ZINC000473116247 562899090 /nfs/dbraw/zinc/89/90/90/562899090.db2.gz WCJKXYDSZKCXFG-GEPWALDNSA-N -1 0 717.856 7.147 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(N2N=C(c3cc4ccccc4oc3=O)C[C@@H]2c2cccs2)cc1)NCc1ccccc1 ZINC000473118020 562899217 /nfs/dbraw/zinc/89/92/17/562899217.db2.gz KAUCNQWWVRMHBT-AREMUKBSSA-N -1 0 584.679 5.398 1 0 KKAFRM CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c2cc(C(=O)[O-])ccc21 ZINC000473153106 562901923 /nfs/dbraw/zinc/90/19/23/562901923.db2.gz YSBZGDGVVFFPES-WJOKGBTCSA-N -1 0 622.722 5.048 1 0 KKAFRM Cc1cc(OCCOCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(OCC(=O)[O-])c(F)c2)c1 ZINC000473154204 562902095 /nfs/dbraw/zinc/90/20/95/562902095.db2.gz FGDOHYWZKBVCRL-UHFFFAOYSA-N -1 0 530.592 6.748 1 0 KKAFRM O=C(c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)cc2)s1)c1cccc(O)c1 ZINC000473169927 562903120 /nfs/dbraw/zinc/90/31/20/562903120.db2.gz OTSUAZDCLJWLTA-UHFFFAOYSA-N -1 0 598.418 6.814 1 0 KKAFRM Cc1cc2c(Cl)cccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000473200814 562903804 /nfs/dbraw/zinc/90/38/04/562903804.db2.gz CIHWQAXAMAZTIA-UHFFFAOYSA-N -1 0 550.942 6.189 1 0 KKAFRM CC(=O)c1ccc(Cl)c(F)c1C=CC(=O)N1CCc2c(-c3ccc(C(N)=O)cc3)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000473220716 562904087 /nfs/dbraw/zinc/90/40/87/562904087.db2.gz WQHZUSVZGCFUIH-PEGZSZNZSA-N -1 0 640.067 5.924 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](n3cc(-c4ccccc4)nn3)CN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1 ZINC000474609849 562905681 /nfs/dbraw/zinc/90/56/81/562905681.db2.gz WEDRAMDIMUPDHY-PXEIHTCKSA-N -1 0 810.978 5.049 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1 ZINC000653672867 562906189 /nfs/dbraw/zinc/90/61/89/562906189.db2.gz LSQYRMKKKCATAK-UHFFFAOYSA-N -1 0 611.166 6.867 1 0 KKAFRM COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)[O-])cc3OCc3ccccc3Br)s2)cc1 ZINC000653695808 562906988 /nfs/dbraw/zinc/90/69/88/562906988.db2.gz NEQNWFAAERRGES-UHFFFAOYSA-N -1 0 539.407 6.111 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4O)ccc3O[C@H]2CO)ccc1O ZINC000653701034 562907396 /nfs/dbraw/zinc/90/73/96/562907396.db2.gz GQPSVVAMVNMEAC-JTSJOTPCSA-N -1 0 570.550 5.038 1 0 KKAFRM CCCCOc1cc(=O)c2c([O-])c(OCCCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653701038 562907440 /nfs/dbraw/zinc/90/74/40/562907440.db2.gz GSMSNEOZIULMAW-QCENPCRXSA-N -1 0 592.641 6.111 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)[O-])c(F)c3)c2)CC1 ZINC000653715977 562908505 /nfs/dbraw/zinc/90/85/05/562908505.db2.gz DPNODDOHRQNXQW-UHFFFAOYSA-N -1 0 540.563 6.653 1 0 KKAFRM CC(=O)O[C@@H](C/C=C(\C)C(=O)[O-])[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000653726616 562909205 /nfs/dbraw/zinc/90/92/05/562909205.db2.gz QLSUXTCZOZDHKO-AYGDDODCSA-N -1 0 572.783 6.627 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3cccc(CNC(=O)c4ccoc4)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653736034 562909718 /nfs/dbraw/zinc/90/97/18/562909718.db2.gz LCLPIOHJGZKBQV-UHFFFAOYSA-N -1 0 762.716 7.762 1 0 KKAFRM CSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653755616 562910927 /nfs/dbraw/zinc/91/09/27/562910927.db2.gz JJCMEMAVTWBINW-JOCHJYFZSA-N -1 0 549.696 7.014 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000653755917 562910942 /nfs/dbraw/zinc/91/09/42/562910942.db2.gz FLCJSFUOJRLQDW-BXLQGULJSA-N -1 0 602.816 7.207 1 0 KKAFRM CCSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653757071 562910999 /nfs/dbraw/zinc/91/09/99/562910999.db2.gz FWZUAHSNDPMYKQ-QHCPKHFHSA-N -1 0 563.723 7.404 1 0 KKAFRM CCCSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653758647 562911163 /nfs/dbraw/zinc/91/11/63/562911163.db2.gz MVIFFEJULHCEPV-XMMPIXPASA-N -1 0 577.750 7.794 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3cc(OC)ccc3OC)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653758649 562911173 /nfs/dbraw/zinc/91/11/73/562911173.db2.gz NEGZWRVHBRHTCW-UHFFFAOYSA-N -1 0 721.880 7.408 1 0 KKAFRM O=C([O-])c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000653760094 562911239 /nfs/dbraw/zinc/91/12/39/562911239.db2.gz LVIYPTZKDQNSNO-UHFFFAOYSA-N -1 0 529.398 8.649 1 0 KKAFRM CN(C)C(=O)c1ccc(N(Cc2csc3ccc(Cl)cc23)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653775789 562911926 /nfs/dbraw/zinc/91/19/26/562911926.db2.gz QDRYXLCNBCTYLM-UHFFFAOYSA-N -1 0 515.418 6.168 1 0 KKAFRM CCCCNC(=O)c1cc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)cc2)c(C)c1 ZINC000653778049 562911991 /nfs/dbraw/zinc/91/19/91/562911991.db2.gz DRGUVRDBFPDYLQ-UHFFFAOYSA-N -1 0 613.784 6.948 1 0 KKAFRM CC1=C(C)[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](OC(=O)CC(=O)[O-])C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000653782594 562912208 /nfs/dbraw/zinc/91/22/08/562912208.db2.gz OKJOASLJZNAUJH-FWVAHMOUSA-N -1 0 568.751 6.747 1 0 KKAFRM CC(C)CN(CC(C)C)c1ccc([C@@H](CC(=O)[O-])C(F)(F)F)cc1NC(=O)Nc1ccc(F)cc1F ZINC000653802038 562913436 /nfs/dbraw/zinc/91/34/36/562913436.db2.gz LLRWXYAXYSABOE-GOSISDBHSA-N -1 0 515.523 6.848 1 0 KKAFRM COc1ccc2[nH]c(C(=O)[O-])c(/C=C/C(=O)Nc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)c2c1 ZINC000653816989 562914005 /nfs/dbraw/zinc/91/40/05/562914005.db2.gz NJVMCVNHNUOPCA-BNCZNCEZSA-N -1 0 523.976 6.899 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(Oc2cccc(C(=O)[O-])n2)CC1 ZINC000653848334 562915321 /nfs/dbraw/zinc/91/53/21/562915321.db2.gz XIEKMGSSUSEMGG-ZUKKLESISA-N -1 0 708.656 6.505 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccs1 ZINC000653850792 562915523 /nfs/dbraw/zinc/91/55/23/562915523.db2.gz BAHMPQDACGDTIV-QFIPXVFZSA-N -1 0 526.445 6.326 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(Br)ccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653856812 562915716 /nfs/dbraw/zinc/91/57/16/562915716.db2.gz DMPWEMTVJNQCTH-UHFFFAOYSA-N -1 0 818.113 6.868 1 0 KKAFRM O=C([O-])c1cccc([C@H]2C[C@](O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000653864002 562916129 /nfs/dbraw/zinc/91/61/29/562916129.db2.gz BLUPXUIEWBLQAV-ZOXYEEGJSA-N -1 0 584.883 8.222 1 0 KKAFRM O=C([O-])c1cccc([C@H]2C[C@@H](c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000653864009 562916133 /nfs/dbraw/zinc/91/61/33/562916133.db2.gz CEDVQQBJHWLXPI-BGYRXZFFSA-N -1 0 568.884 9.118 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OC(C)(C)C(=O)[O-])CC1 ZINC000653886922 562917006 /nfs/dbraw/zinc/91/70/06/562917006.db2.gz KPROJQQNWIMNLE-SYBRLPANSA-N -1 0 756.766 6.994 1 0 KKAFRM CCCCCC[C@@H](Sc1nc(Cl)cc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1)C(=O)[O-] ZINC000653895029 562917341 /nfs/dbraw/zinc/91/73/41/562917341.db2.gz RDOGENUWXDINSE-HXUWFJFHSA-N -1 0 573.081 6.197 1 0 KKAFRM O=C([O-])c1cccc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653901739 562917533 /nfs/dbraw/zinc/91/75/33/562917533.db2.gz KGTIKSLWWBVCJB-ISKFKSNPSA-N -1 0 525.445 5.555 1 0 KKAFRM CCCCc1nc2c(cc(-c3ccccn3)cc2C)n1Cc1ccc2c(ccn2-c2ccccc2C(=O)[O-])c1 ZINC000653918566 562917957 /nfs/dbraw/zinc/91/79/57/562917957.db2.gz YYSSEVDNBIQDTO-UHFFFAOYSA-N -1 0 514.629 7.440 1 0 KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CCC[C@@H](O)C2 ZINC000085489093 565125014 /nfs/dbraw/zinc/12/50/14/565125014.db2.gz WRXMYQWVFWZXPR-IWRHMQCSSA-N -1 0 600.840 8.228 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1[C@@H](CO)/C=C\C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12CCC[C@H](O)C2 ZINC000085489054 565125134 /nfs/dbraw/zinc/12/51/34/565125134.db2.gz BZZHIYNONKMFMJ-SVFSXMLOSA-N -1 0 630.866 7.446 1 0 biogenic,in-vitro KKAFRM CCCCCc1cc([C@H]2Cc3cccc(c3)C3(CCCCC3)[C@H](C(=O)[O-])C/C=C\C[C@@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000085489176 565125193 /nfs/dbraw/zinc/12/51/93/565125193.db2.gz YGEPYBMRGLVOLC-WQIOKVMBSA-N -1 0 624.950 11.627 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(COC(=O)/C=C/c4ccc(O)cc4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095099567 565173466 /nfs/dbraw/zinc/17/34/66/565173466.db2.gz ZPBONBNZOMMCQS-PBGJSAINSA-N -1 0 618.855 8.176 1 0 biogenic,in-vitro KKAFRM O=C([O-])[C@@H]1C/C=C\C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CCCC1(CCCC1)C2 ZINC000103524361 565192656 /nfs/dbraw/zinc/19/26/56/565192656.db2.gz ZIGGPEVLHZOGFL-CMXYXKROSA-N -1 0 608.907 11.065 1 0 biogenic,in-vitro KKAFRM CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](O)C(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@@]3(C)CC[C@@H]21 ZINC000100777594 574412126 /nfs/dbraw/zinc/41/21/26/574412126.db2.gz YZUXOBYCNWIMKP-JHKMPVQISA-N -1 0 630.819 5.860 1 0 endogenous,in-man KKAFRM C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000100783650 574412447 /nfs/dbraw/zinc/41/24/47/574412447.db2.gz FEVUQLLYZLSRLB-QVONNAFUSA-N -1 0 618.855 8.030 1 0 endogenous,in-man KKAFRM CCC(=O)O[C@H](O[P@](=O)(CCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C ZINC000027077225 581093854 /nfs/dbraw/zinc/09/38/54/581093854.db2.gz PJOGDRBKVPGTCC-COEKKVLASA-N -1 0 549.645 5.731 1 0 KKAFRM CC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)[O-] ZINC000043009976 581097493 /nfs/dbraw/zinc/09/74/93/581097493.db2.gz QTNLJMSTDKBAOB-DEOSSOPVSA-N -1 0 545.941 7.023 1 0 KKAFRM C[C@@H](OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)nnn1C)c1cccc(C(F)(F)F)c1 ZINC000095578038 541107680 /nfs/dbraw/zinc/10/76/80/541107680.db2.gz HKSCEHNRNXWQAZ-QGZVFWFLSA-N -1 0 550.537 6.594 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C(=O)[O-])CCC(C)(C)C[C@H]5[C@]4(C)C[C@@H](O)[C@@H]32)[C@]1(C)CO ZINC000059779517 291906183 /nfs/dbraw/zinc/90/61/83/291906183.db2.gz JJFCAFYUQNMBBV-FWERRNHCSA-N -1 0 530.746 5.748 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@@]2(C(=O)[O-])CC[C@H]3C(=CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(=O)/C=C/c5ccccc5)[C@@H](O)C[C@@]43C)[C@@H]2C1 ZINC000095098943 291913769 /nfs/dbraw/zinc/91/37/69/291913769.db2.gz NLYXZUSGZVENSC-LGZQRWRVSA-N -1 0 588.829 8.079 1 0 biogenic,in-vitro KKAFRM CCCCCC[C@@]12C[C@@H]3CC[C@@H]4C[C@]5(O)OC[C@@]6(CC[C@H]([C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)[O-])C[C@H]12)[C@]3(C)[C@]46CO)[C@H]5C ZINC000085530812 291928095 /nfs/dbraw/zinc/92/80/95/291928095.db2.gz YJDPZJPPAQWJBX-VEEGDHILSA-N -1 0 598.909 8.211 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(/CCCC[C@@H](CCC(=O)[O-])CCC(C)C)C[C@H](O)CO ZINC000085490913 291932706 /nfs/dbraw/zinc/93/27/06/291932706.db2.gz YPXLOZUALAAYTK-FHSJHBQGSA-N -1 0 544.817 7.634 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C(Cc1cccc(O)c1)=C(/CCCC[C@@H](CCC(=O)[O-])CCC(C)C)C[C@H](O)CO ZINC000085490919 291932753 /nfs/dbraw/zinc/93/27/53/291932753.db2.gz BKXVSIHLVHPEBG-QHPRBUOCSA-N -1 0 546.789 6.950 1 0 biogenic,in-vitro KKAFRM C[C@H]1[C@]2(O)C[C@]34C=CC[C@@]56[C@H](CC3)C[C@@]3(C)[C@@H]7C[C@](C)(C(=O)[O-])CC[C@]7(C)CC[C@]3(C)[C@H]5CC[C@@]1(CO2)[C@]64CO ZINC000085530749 291987564 /nfs/dbraw/zinc/98/75/64/291987564.db2.gz NCYASUCLBRGHGY-KHDGIZOTSA-N -1 0 552.796 6.570 1 0 biogenic,in-vitro KKAFRM CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000043544013 551089164 /nfs/dbraw/zinc/08/91/64/551089164.db2.gz WGMDTVFTELHPOL-UHFFFAOYSA-N -1 0 557.569 6.326 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000101107123 551089374 /nfs/dbraw/zinc/08/93/74/551089374.db2.gz KNMAVSXEMFMOGI-KJOQGJGQSA-N -1 0 589.655 6.916 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000042833891 551089444 /nfs/dbraw/zinc/08/94/44/551089444.db2.gz OUZOYODGROMRMW-UHFFFAOYSA-N -1 0 621.681 8.209 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@H]2CCOc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000253677916 551089607 /nfs/dbraw/zinc/08/96/07/551089607.db2.gz QCXYVMFKAJYFNH-XTJBDQBJSA-N -1 0 605.654 6.752 1 0 KKAFRM Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)c1 ZINC000253916248 551089637 /nfs/dbraw/zinc/08/96/37/551089637.db2.gz VLGOFRLXSHLEAO-LGPLSSKUSA-N -1 0 523.674 5.118 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc([C@H](CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000073224730 551089686 /nfs/dbraw/zinc/08/96/86/551089686.db2.gz ZBMZGBGZOQFXEP-FQEVSTJZSA-N -1 0 528.453 5.591 1 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000049823167 551089792 /nfs/dbraw/zinc/08/97/92/551089792.db2.gz OBRBSPYTOYTECA-HHHXNRCGSA-N -1 0 660.487 6.839 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(CN(c2nc(-c3ccc(C(F)(F)F)cc3)cs2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000044305678 551089805 /nfs/dbraw/zinc/08/98/05/551089805.db2.gz BOPMXYXKSFCVIW-UHFFFAOYSA-N -1 0 605.682 8.329 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c2ccc(Cl)cc2)cc1 ZINC000049881692 551089968 /nfs/dbraw/zinc/08/99/68/551089968.db2.gz JTMDOZVHCVTETN-HSZRJFAPSA-N -1 0 575.008 6.941 1 0 KKAFRM O=C([O-])[C@@H](O)CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 ZINC000042888006 551089970 /nfs/dbraw/zinc/08/99/70/551089970.db2.gz XNSJRSAITGCUKS-MHZLTWQESA-N -1 0 582.484 6.365 1 0 KKAFRM CS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)c2ccc(C3=CCCCC3)cc2)ccc1OC(F)(F)F ZINC000049841197 551090110 /nfs/dbraw/zinc/09/01/10/551090110.db2.gz MYHQPEVOOWDUDW-AREMUKBSSA-N -1 0 675.682 5.360 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095093517 551090503 /nfs/dbraw/zinc/09/05/03/551090503.db2.gz UXPYCHMVTKGDJP-IBGZPJMESA-N -1 0 605.588 7.351 1 0 KKAFRM CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000043194503 551090559 /nfs/dbraw/zinc/09/05/59/551090559.db2.gz NMYGSMGORGHTCL-QHCPKHFHSA-N -1 0 613.076 8.129 1 0 KKAFRM O=C([O-])C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000001907335 561680132 /nfs/dbraw/zinc/68/01/32/561680132.db2.gz NGYIKLFRMYALTL-XMMPIXPASA-N -1 0 522.626 6.592 1 0 KKAFRM COc1cccc(OC)c1-c1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000001483504 561675850 /nfs/dbraw/zinc/67/58/50/561675850.db2.gz PXNTUYAGLGTUKX-MHZLTWQESA-N -1 0 549.027 5.521 1 0 in-vitro KKAFRM Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000001489840 561676184 /nfs/dbraw/zinc/67/61/84/561676184.db2.gz JTVWJXUGGJTGDA-IBGZPJMESA-N -1 0 505.785 5.633 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1ccc3ccccc3c1)CCC2 ZINC000001534299 561676801 /nfs/dbraw/zinc/67/68/01/561676801.db2.gz IVTABRHLUIMRSQ-YRQZUBFHSA-N -1 0 514.597 5.427 1 0 KKAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000001536326 561676876 /nfs/dbraw/zinc/67/68/76/561676876.db2.gz GKJDKQMSFOKPDW-UWPYXOIDSA-N -1 0 541.648 5.262 1 0 KKAFRM COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2/C=C/C(=O)[O-])cc1 ZINC000001538553 561676882 /nfs/dbraw/zinc/67/68/82/561676882.db2.gz CNCBHMFRNJAUKC-FYWRMAATSA-N -1 0 518.462 7.189 1 0 KKAFRM COc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(SC)cn2)cc1 ZINC000001542087 561677085 /nfs/dbraw/zinc/67/70/85/561677085.db2.gz MKLATGLZQJYGTE-UHFFFAOYSA-N -1 0 581.720 5.220 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3ccccc3O[C@@H](C)C(=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 ZINC000001551625 561677557 /nfs/dbraw/zinc/67/75/57/561677557.db2.gz BWTOBMCYVACNJZ-KRWDZBQOSA-N -1 0 527.495 5.988 1 0 in-vitro KKAFRM CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CC)(C(=O)[O-])CC2 ZINC000001910879 561680292 /nfs/dbraw/zinc/68/02/92/561680292.db2.gz WSUVCCOJPKQXFY-SSEXGKCCSA-N -1 0 525.041 7.491 1 0 KKAFRM CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000002004060 561680359 /nfs/dbraw/zinc/68/03/59/561680359.db2.gz CVMYCJKHRJUCKL-UHFFFAOYSA-N -1 0 500.624 5.912 1 0 KKAFRM COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c3c(c(O)c(C(C)=O)c2O)C[C@H](C(C)(C)O)O3)c([O-])c1C(C)=O ZINC000001660716 561679070 /nfs/dbraw/zinc/67/90/70/561679070.db2.gz OUNVYFMBWBYCMV-PZJWPPBQSA-N -1 0 570.679 5.684 1 0 KKAFRM S=C1N=NC(c2ccccc2Nc2ccccc2-c2n[n-]c(=S)n2-c2ccccc2)N1c1ccccc1 ZINC000001860677 561679754 /nfs/dbraw/zinc/67/97/54/561679754.db2.gz HNESGFUTTPCSLW-UHFFFAOYSA-N -1 0 519.659 6.877 1 0 KKAFRM COc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000003594405 561682109 /nfs/dbraw/zinc/68/21/09/561682109.db2.gz OQGUDXJTEBRIEF-NRFANRHFSA-N -1 0 502.792 5.449 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2ccccc2C(=O)C2CCCCCC2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000003832302 561683657 /nfs/dbraw/zinc/68/36/57/561683657.db2.gz LGYLPQDCGVFKFX-GDLZYMKVSA-N -1 0 555.675 6.604 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000003918319 561685417 /nfs/dbraw/zinc/68/54/17/561685417.db2.gz UWFKZJIWHDTXTG-JOCHJYFZSA-N -1 0 597.180 8.674 1 0 in-vivo KKAFRM CN(C)C(=O)c1ccccc1CC[C@@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000003924480 561686306 /nfs/dbraw/zinc/68/63/06/561686306.db2.gz PQWDXTSMXAQPLC-GDLZYMKVSA-N -1 0 563.119 7.051 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2csc(OC)n2)c1OC ZINC000003927578 561686880 /nfs/dbraw/zinc/68/68/80/561686880.db2.gz PKXKEQQNXAOFDZ-SANMLTNESA-N -1 0 555.693 6.358 1 0 KKAFRM CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1O[C@H](C(=O)[O-])CC2 ZINC000003927574 561686887 /nfs/dbraw/zinc/68/68/87/561686887.db2.gz NFHKAMAWIQHXAT-MHZLTWQESA-N -1 0 537.678 6.350 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2csc(N)n2)c1OC ZINC000003927577 561686922 /nfs/dbraw/zinc/68/69/22/561686922.db2.gz HWAPBVMFCYXSEL-VWLOTQADSA-N -1 0 540.682 5.932 1 0 KKAFRM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000003932813 561687961 /nfs/dbraw/zinc/68/79/61/561687961.db2.gz DFVJFZOOMUFFGW-FTJBHMTQSA-N -1 0 602.559 5.257 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1 ZINC000003936144 561688448 /nfs/dbraw/zinc/68/84/48/561688448.db2.gz OGCLKLYODLMLLI-UMSFTDKQSA-N -1 0 673.810 6.373 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000003979559 561692288 /nfs/dbraw/zinc/69/22/88/561692288.db2.gz YQEMFOGNUTYMTJ-KZCKAYRVSA-N -1 0 694.769 6.085 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(-c2cccs2)c1)[C@H](CC(=O)[O-])CC3 ZINC000003988034 561693056 /nfs/dbraw/zinc/69/30/56/561693056.db2.gz ODZGZRHOEWCWAA-INIZCTEOSA-N -1 0 500.041 5.980 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2c(c1)O[C@](CC)(C(=O)[O-])CC2 ZINC000003992535 561693576 /nfs/dbraw/zinc/69/35/76/561693576.db2.gz WSUVCCOJPKQXFY-PMERELPUSA-N -1 0 525.041 7.491 1 0 KKAFRM COc1ccc([C@@H](c2c([O-])cc3oc(-c4ccccc4)cc(=O)c3c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000005812752 561698539 /nfs/dbraw/zinc/69/85/39/561698539.db2.gz NITWTRKENZMDSS-GDLZYMKVSA-N -1 0 536.580 6.249 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000008020523 561703727 /nfs/dbraw/zinc/70/37/27/561703727.db2.gz BZNMNTXHUCVGAS-QHCPKHFHSA-N -1 0 504.505 5.434 3 0 KKAFRM CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)[O-] ZINC000008674157 561706652 /nfs/dbraw/zinc/70/66/52/561706652.db2.gz IECPWNUMDGFDKC-LKMRMURRSA-N -1 0 516.719 5.666 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000008829549 561708555 /nfs/dbraw/zinc/70/85/55/561708555.db2.gz CJIIGLXHMDIYIQ-HSZRJFAPSA-N -1 0 505.398 5.722 3 0 KKAFRM CN(CCOc1ccc(C[C@H](Nc2ccccc2Oc2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358068 561710086 /nfs/dbraw/zinc/71/00/86/561710086.db2.gz DSCSQRAZCPUSAT-MHZLTWQESA-N -1 0 523.589 6.243 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Nc2ccsc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358116 561710338 /nfs/dbraw/zinc/71/03/38/561710338.db2.gz NUSIKGTVAZPOLW-VWLOTQADSA-N -1 0 541.629 5.743 1 0 KKAFRM CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000012358488 561710547 /nfs/dbraw/zinc/71/05/47/561710547.db2.gz AHEXZGKRUXYNQR-HKBQPEDESA-N -1 0 553.680 7.970 1 0 KKAFRM CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CC)(C(=O)[O-])CC2 ZINC000012358558 561710594 /nfs/dbraw/zinc/71/05/94/561710594.db2.gz MBRSLMALLOBAEB-WJOKGBTCSA-N -1 0 520.622 6.846 1 0 KKAFRM COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)C3)cc1C ZINC000013446791 561713220 /nfs/dbraw/zinc/71/32/20/561713220.db2.gz LARDBSCSCMLQKF-NDEPHWFRSA-N -1 0 523.633 5.035 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(S(=O)(=O)c2cccc3ccccc32)CCCC1 ZINC000013488134 561715517 /nfs/dbraw/zinc/71/55/17/561715517.db2.gz MFQUZVFENPJMSV-MHZLTWQESA-N -1 0 527.642 5.405 1 0 KKAFRM CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000013493327 561716651 /nfs/dbraw/zinc/71/66/51/561716651.db2.gz OCXVQCGYIIUPEW-UHFFFAOYSA-N -1 0 501.958 5.348 1 0 KKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2C(=O)[O-])cc1 ZINC000013493351 561716653 /nfs/dbraw/zinc/71/66/53/561716653.db2.gz SJEVABYSPANKET-UHFFFAOYSA-N -1 0 514.903 5.907 1 0 KKAFRM CCOc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C/C=C\CCCC(=O)[O-])oc1ccccc12 ZINC000013521329 561717008 /nfs/dbraw/zinc/71/70/08/561717008.db2.gz PJRYFEMRTWPQLO-SPEFQPKESA-N -1 0 511.640 5.879 1 0 KKAFRM O=C([O-])CCC/C=C\C[C@H]1[C@H](NS(=O)(=O)c2ccc3cc(-c4ccc(O)cc4)[nH]c3c2)[C@@H]2CC[C@H]1C2 ZINC000013521303 561717017 /nfs/dbraw/zinc/71/70/17/561717017.db2.gz UYAJUOTZJVANSS-SYOWSJEMSA-N -1 0 508.640 5.435 1 0 KKAFRM CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000013537365 561717994 /nfs/dbraw/zinc/71/79/94/561717994.db2.gz QZUYYCLWMJYSQX-LJAQVGFWSA-N -1 0 533.690 7.502 1 0 KKAFRM CC[C@@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c([O-])c2c(oc1=O)CCCCCC2 ZINC000013761691 561727906 /nfs/dbraw/zinc/72/79/06/561727906.db2.gz YXDSUTZGWOOLTI-NRFANRHFSA-N -1 0 502.032 6.001 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)nc1Cl ZINC000013553340 561718455 /nfs/dbraw/zinc/71/84/55/561718455.db2.gz SJZOQMIIUGGYES-SFHVURJKSA-N -1 0 508.199 5.489 1 0 KKAFRM CCCc1cc(-c2noc3ccccc32)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000013553666 561718466 /nfs/dbraw/zinc/71/84/66/561718466.db2.gz JLAXJZRUAXLLMT-AREMUKBSSA-N -1 0 502.592 6.319 1 0 KKAFRM C/C(=C\C[C@@H]1OC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccc(OCC(F)(F)F)cc3)oc2C)c1 ZINC000013558120 561719035 /nfs/dbraw/zinc/71/90/35/561719035.db2.gz ZURNZMQTIXFALO-DUVHBICTSA-N -1 0 516.472 5.599 1 0 KKAFRM C/C(=C\C[C@H]1OC(=O)[N-]C1=O)c1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1 ZINC000013558116 561719052 /nfs/dbraw/zinc/71/90/52/561719052.db2.gz RTYQRACVLWMXIE-JUOOZJFWSA-N -1 0 502.445 5.556 1 0 KKAFRM CCC/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558155 561719188 /nfs/dbraw/zinc/71/91/88/561719188.db2.gz RAXPLTCLNHPPLI-SFQUDFHCSA-N -1 0 515.488 5.575 1 0 KKAFRM COc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761663 561727998 /nfs/dbraw/zinc/72/79/98/561727998.db2.gz FHAHURNGIVLDQN-RUZDIDTESA-N -1 0 509.624 5.356 1 0 KKAFRM COc1cc(C(=O)[O-])ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc(S(C)(=O)=O)cc12 ZINC000013588144 561720986 /nfs/dbraw/zinc/72/09/86/561720986.db2.gz GBAOAWUBZJDJCA-UHFFFAOYSA-N -1 0 525.626 5.980 1 0 KKAFRM CCCc1nc2c(cc(-c3cn4ccccc4n3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013732078 561725320 /nfs/dbraw/zinc/72/53/20/561725320.db2.gz YSQMPUWHJFCBQH-UHFFFAOYSA-N -1 0 500.602 7.025 1 0 KKAFRM O=C([O-])CCC/C=C(/c1cccnc1)c1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000013733270 561725392 /nfs/dbraw/zinc/72/53/92/561725392.db2.gz KHQYDHFXPAZDBK-WQTRYIKCSA-N -1 0 511.043 5.257 1 0 KKAFRM CC(C)(C)OC(=O)NCCC(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744224 561726582 /nfs/dbraw/zinc/72/65/82/561726582.db2.gz JGEWEYMENDBLHO-DEOSSOPVSA-N -1 0 510.631 5.400 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccc(OC3CCCC3)cc1)O2 ZINC000013473428 561714323 /nfs/dbraw/zinc/71/43/23/561714323.db2.gz YYYQJJOAIXBKSQ-WJOKGBTCSA-N -1 0 528.601 6.936 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@@H](c1ccc(OC)cc1OC)O2 ZINC000013473416 561714328 /nfs/dbraw/zinc/71/43/28/561714328.db2.gz GXNMJPVIBJZOLD-MUUNZHRXSA-N -1 0 504.535 5.632 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOC3CCCCC3)co2)cc1)c1cccnc1 ZINC000013782522 561729703 /nfs/dbraw/zinc/72/97/03/561729703.db2.gz XJKMOZFCIYEDDT-KBKYJPHKSA-N -1 0 517.626 5.892 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2-c2ccc(CC(C)C)cc2)c1C ZINC000013782457 561729725 /nfs/dbraw/zinc/72/97/25/561729725.db2.gz DTOHVNJSMVBCGT-UHFFFAOYSA-N -1 0 503.624 6.210 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOC[C@H]3CCCCO3)co2)cc1)c1cccnc1 ZINC000013782526 561729729 /nfs/dbraw/zinc/72/97/29/561729729.db2.gz FACJEJPQFUXMOA-WFQCZVFRSA-N -1 0 533.625 5.129 1 0 KKAFRM O=C([O-])c1cc(=O)c2cccc(NC(=O)c3ccc4ccc(OCc5ccc6ccccc6n5)cc4c3)c2o1 ZINC000013804752 561731389 /nfs/dbraw/zinc/73/13/89/561731389.db2.gz UMWIKDJYKOJTLS-UHFFFAOYSA-N -1 0 516.509 6.024 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCCCO)CCCC1 ZINC000013817656 561732219 /nfs/dbraw/zinc/73/22/19/561732219.db2.gz DWDDWGYZNYHOGW-NRFANRHFSA-N -1 0 521.441 5.081 1 0 KKAFRM CCCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000013817662 561732245 /nfs/dbraw/zinc/73/22/45/561732245.db2.gz PEOAGKNIJXKSNC-NRFANRHFSA-N -1 0 505.442 6.108 1 0 KKAFRM CCCCc1nc(-c2ccccc2Cl)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833909 561733903 /nfs/dbraw/zinc/73/39/03/561733903.db2.gz QPMQVADGYRHDLZ-UHFFFAOYSA-N -1 0 513.001 6.140 1 0 KKAFRM CC(C)c1ccc(C[C@@H]2CCCc3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c4ccc(F)cc4)nc32)cc1 ZINC000013834012 561734101 /nfs/dbraw/zinc/73/41/01/561734101.db2.gz HKYVZEXRHSHVEW-BKRZDOFFSA-N -1 0 506.618 5.397 1 0 KKAFRM COc1cc(/C=C\C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)ccc1O ZINC000014114150 561736735 /nfs/dbraw/zinc/73/67/35/561736735.db2.gz HIFZHAYMNQEZKV-HINFZKDYSA-N -1 0 648.881 8.185 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1cccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)c1 ZINC000014115558 561736750 /nfs/dbraw/zinc/73/67/50/561736750.db2.gz NPKPHYMPJDGINZ-MUUNZHRXSA-N -1 0 543.541 8.078 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(-c2csc(SC)n2)c1OC ZINC000014254646 561738622 /nfs/dbraw/zinc/73/86/22/561738622.db2.gz MUCFSURAOMWHPO-AREMUKBSSA-N -1 0 571.761 7.072 1 0 KKAFRM CC[C@@H](OCCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000014276221 561738894 /nfs/dbraw/zinc/73/88/94/561738894.db2.gz JCBSPQXPBDDSEZ-JPQMRUPTSA-N -1 0 627.206 8.443 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000014286720 561739243 /nfs/dbraw/zinc/73/92/43/561739243.db2.gz ZSXUVEXBPOPHIR-KAYWLYCHSA-N -1 0 627.569 5.348 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(OS(=O)(=O)[O-])ccc1O ZINC000014677068 561739795 /nfs/dbraw/zinc/73/97/95/561739795.db2.gz RGECQXLUMNQMGW-QMAWHTDNSA-N -1 0 530.771 8.989 1 0 KKAFRM [O-]c1c(Br)c(Br)cc(Br)c1Oc1ccccc1Br ZINC000014676779 561739861 /nfs/dbraw/zinc/73/98/61/561739861.db2.gz CJOHBKHJSQZRRU-UHFFFAOYSA-N -1 0 501.794 6.235 1 0 KKAFRM CCCCCCc1cc2c([O-])c([C@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)c(CCCCCC)cc4[C@@H]3O)c(=O)oc2cc1O ZINC000014943028 561740586 /nfs/dbraw/zinc/74/05/86/561740586.db2.gz FJVQTSLWKQYTDJ-JMMYRPRQSA-N -1 0 614.735 7.556 1 0 KKAFRM CC[C@H](C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000014946767 561744362 /nfs/dbraw/zinc/74/43/62/561744362.db2.gz SFIKZNVTYXSZBV-FWUCURJTSA-N -1 0 592.758 6.194 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4cc(Cl)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014952831 561746481 /nfs/dbraw/zinc/74/64/81/561746481.db2.gz VZQJVBJXVZHFSN-UNMCSNQZSA-N -1 0 538.054 5.113 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4c(cccc4Cl)s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955219 561747245 /nfs/dbraw/zinc/74/72/45/561747245.db2.gz UWXIYEOPGRSASP-FPOVZHCZSA-N -1 0 538.054 5.113 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccc(Cl)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955211 561747270 /nfs/dbraw/zinc/74/72/70/561747270.db2.gz CXAHPKZMCKBDTC-RBBKRZOGSA-N -1 0 538.054 5.953 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4cc(Cl)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000014955274 561747397 /nfs/dbraw/zinc/74/73/97/561747397.db2.gz YAYDJMKEWVNQFY-UNMCSNQZSA-N -1 0 538.054 5.113 1 0 KKAFRM NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cc(Cl)cc(Cl)c4Cl)c3O)nc2c1 ZINC000014956977 561747818 /nfs/dbraw/zinc/74/78/18/561747818.db2.gz ZRDAQBSVCRLNEI-LBPRGKRZSA-N -1 0 547.782 5.490 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1c(C)cccc1C ZINC000014963298 561748979 /nfs/dbraw/zinc/74/89/79/561748979.db2.gz IHZDVSSJVCEYBR-UHFFFAOYSA-N -1 0 525.605 5.850 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)cc1Cl ZINC000014963310 561748985 /nfs/dbraw/zinc/74/89/85/561748985.db2.gz PUJRKGKDIKCRSV-HXUWFJFHSA-N -1 0 530.024 6.748 1 0 KKAFRM COc1cccc(OC)c1C(=O)N[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)[O-] ZINC000014963548 561749035 /nfs/dbraw/zinc/74/90/35/561749035.db2.gz XMMJSMJCFDADHY-NRFANRHFSA-N -1 0 525.388 5.652 1 0 KKAFRM COc1cccc(OC)c1-c1ccc2cc(C[C@@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])ccc2n1 ZINC000014963425 561749063 /nfs/dbraw/zinc/74/90/63/561749063.db2.gz RCULXICMWIXNIX-OAQYLSRUSA-N -1 0 525.388 5.652 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963421 561749090 /nfs/dbraw/zinc/74/90/90/561749090.db2.gz DAFPGIVZPJVMTQ-OAQYLSRUSA-N -1 0 534.226 6.941 1 0 in-vitro KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)[O-])cc2)cc1C(C)C ZINC000014966038 561749871 /nfs/dbraw/zinc/74/98/71/561749871.db2.gz LHLHKPCPTPRBAT-ZEQRLZLVSA-N -1 0 547.627 6.021 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3C(F)(F)F)c2)c(Br)c1 ZINC000014969284 561750512 /nfs/dbraw/zinc/75/05/12/561750512.db2.gz YFRJTYUEWKCLLN-UHFFFAOYSA-N -1 0 562.132 7.148 1 0 KKAFRM CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cc2Br)cc(Cl)c1O ZINC000014969120 561750573 /nfs/dbraw/zinc/75/05/73/561750573.db2.gz LETOFLYMWYPOIY-IBGZPJMESA-N -1 0 577.697 6.254 1 0 KKAFRM CN(Cc1ccc(CC(=O)[O-])cc1)c1cccc(-c2c(Cc3ccccc3)cnc3c2cccc3C(F)(F)F)c1 ZINC000014972500 561751632 /nfs/dbraw/zinc/75/16/32/561751632.db2.gz TZRCVICHXMBFCB-UHFFFAOYSA-N -1 0 540.585 7.775 1 0 KKAFRM CCCc1cc(-c2nc3c(s2)CCCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977156 561752288 /nfs/dbraw/zinc/75/22/88/561752288.db2.gz IAFVOFFJCUHEHP-NRFANRHFSA-N -1 0 505.680 6.994 1 0 KKAFRM CN(CCOc1ccc(C[C@@H](Nc2cscc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000021290102 561758825 /nfs/dbraw/zinc/75/88/25/561758825.db2.gz UCXZPJVOWPMUFS-RUZDIDTESA-N -1 0 541.629 5.743 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OC)c(C)c1 ZINC000026152359 561767762 /nfs/dbraw/zinc/76/77/62/561767762.db2.gz URKJCNULDSMMIW-UHFFFAOYSA-N -1 0 555.697 5.423 1 0 KKAFRM CN(C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@@](=O)([O-])O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000024666930 561762342 /nfs/dbraw/zinc/76/23/42/561762342.db2.gz XUJQPDQURBZEGJ-KXQOOQHDSA-N -1 0 670.702 7.625 1 0 in-vivo KKAFRM COc1ccc(/C(=C\Cn2oc(=O)[n-]c2=O)c2cccc(OCc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)c2)cc1 ZINC000025969468 561763253 /nfs/dbraw/zinc/76/32/53/561763253.db2.gz BDUNYCFXYNJLPD-AFUMVMLFSA-N -1 0 579.531 5.831 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(SC)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025987309 561764379 /nfs/dbraw/zinc/76/43/79/561764379.db2.gz ZQJRBAHLNKPYFN-CMTIAEDTSA-N -1 0 540.770 6.182 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC(=O)Nc4nc5ccccc5[nH]4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000026011452 561765821 /nfs/dbraw/zinc/76/58/21/561765821.db2.gz HICJIQRNSXOPJG-NDEPHWFRSA-N -1 0 597.697 5.773 1 0 KKAFRM COc1cccc(-c2ccc(COCc3ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c4ccccc4C)c3)o2)c1 ZINC000026012317 561765948 /nfs/dbraw/zinc/76/59/48/561765948.db2.gz QXMRHTKQHROEFK-LJAQVGFWSA-N -1 0 559.684 6.584 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026012656 561766020 /nfs/dbraw/zinc/76/60/20/561766020.db2.gz MMYMFHIOHNIUSB-NDEPHWFRSA-N -1 0 597.655 7.594 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(SC)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026014673 561766163 /nfs/dbraw/zinc/76/61/63/561766163.db2.gz UNRVWOAQHIHREH-LJAQVGFWSA-N -1 0 575.752 7.297 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026015221 561766197 /nfs/dbraw/zinc/76/61/97/561766197.db2.gz KPLVUGOBZAXWSW-LJAQVGFWSA-N -1 0 543.685 6.883 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(F)cc3)o2)cc1-c1ccccc1C)C(=O)[O-] ZINC000026017245 561766357 /nfs/dbraw/zinc/76/63/57/561766357.db2.gz HOOMWYSTEWJDOS-NDEPHWFRSA-N -1 0 547.648 6.714 1 0 KKAFRM CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000026024609 561766804 /nfs/dbraw/zinc/76/68/04/561766804.db2.gz KSOOVOZETWHNBV-UHFFFAOYSA-N -1 0 542.061 5.099 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)c(C)c1)C(=O)CCCC2 ZINC000026028557 561766920 /nfs/dbraw/zinc/76/69/20/561766920.db2.gz GUILESAVAVIDIH-UHFFFAOYSA-N -1 0 546.693 6.174 1 0 KKAFRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000026159897 561768499 /nfs/dbraw/zinc/76/84/99/561768499.db2.gz MWLMOJZKGMAXNM-BMPTZRATSA-N -1 0 671.754 5.026 1 0 KKAFRM CCc1cccc(NC(=O)[C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)c1 ZINC000026172822 561770215 /nfs/dbraw/zinc/77/02/15/561770215.db2.gz WTAGIESHCYGBPN-HHHXNRCGSA-N -1 0 500.639 5.716 1 0 KKAFRM CCCc1nc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026293417 561781048 /nfs/dbraw/zinc/78/10/48/561781048.db2.gz ANBSWLUPEDDHGK-UHFFFAOYSA-N -1 0 607.715 6.367 1 0 KKAFRM CCCCCC[C@@H](Oc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000026180202 561771542 /nfs/dbraw/zinc/77/15/42/561771542.db2.gz PADIVHKPYLHTDY-MUUNZHRXSA-N -1 0 542.632 6.661 1 0 KKAFRM COc1ccc(-c2cccc(NC(=O)NCc3ccccc3)c2)cc1S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000026180668 561771596 /nfs/dbraw/zinc/77/15/96/561771596.db2.gz AKIUZSSNMQSYLP-AREMUKBSSA-N -1 0 559.644 5.178 1 0 KKAFRM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(NC(=O)NCc3ccccc3)c2)c1)c1ccccc1 ZINC000026181041 561771735 /nfs/dbraw/zinc/77/17/35/561771735.db2.gz VBGYRENSHIJAAW-HHHXNRCGSA-N -1 0 529.618 5.170 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000026188003 561772961 /nfs/dbraw/zinc/77/29/61/561772961.db2.gz BMQSDQUNXFHBPJ-UHFFFAOYSA-N -1 0 504.534 5.713 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)Nc1cccnc1 ZINC000026295375 561781265 /nfs/dbraw/zinc/78/12/65/561781265.db2.gz GINOPQFPTRYBHX-UHFFFAOYSA-N -1 0 607.689 5.707 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@@H](CC[N-]S(=O)(=O)C(F)(F)F)c2ccccc2)cc1 ZINC000026277168 561778468 /nfs/dbraw/zinc/77/84/68/561778468.db2.gz LIRICMTYICVTAJ-QHCPKHFHSA-N -1 0 530.616 5.620 1 0 KKAFRM Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3ccccn3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000026295908 561781460 /nfs/dbraw/zinc/78/14/60/561781460.db2.gz CUQQKEAZMNXDAZ-AJQTZOPKSA-N -1 0 574.681 5.342 1 0 KKAFRM O=C([O-])/C(=C\c1ccc(OCCCc2ccc(C(F)(F)F)cc2)cc1)CC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000026497943 561794716 /nfs/dbraw/zinc/79/47/16/561794716.db2.gz NICQSCZTTIEJDR-UBHKNZBTSA-N -1 0 515.572 6.224 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000026392341 561786012 /nfs/dbraw/zinc/78/60/12/561786012.db2.gz VGXYGECPCDQSNI-BHBYDHKZSA-N -1 0 613.135 6.236 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000026392345 561786031 /nfs/dbraw/zinc/78/60/31/561786031.db2.gz VGXYGECPCDQSNI-POURPWNDSA-N -1 0 613.135 6.236 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc21)NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026392465 561786156 /nfs/dbraw/zinc/78/61/56/561786156.db2.gz UDDCVNQAOBQZEZ-QQWJIEJLSA-N -1 0 648.643 5.105 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026393035 561786262 /nfs/dbraw/zinc/78/62/62/561786262.db2.gz VPIVICLWCZPBIT-VXKWHMMOSA-N -1 0 645.348 5.128 1 0 KKAFRM CCCCOc1ccc2c(nc(Oc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c(CCCC)[n+]2[O-])c1C(=O)[O-] ZINC000026395955 561786963 /nfs/dbraw/zinc/78/69/63/561786963.db2.gz LALYYKKQMQBLIW-UHFFFAOYSA-N -1 0 554.607 5.727 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026397410 561787380 /nfs/dbraw/zinc/78/73/80/561787380.db2.gz VAQVSMUJBPTVIS-XRKRLSELSA-N -1 0 583.109 6.227 1 0 KKAFRM CCOc1ccccc1Cc1ccc(C[P@](=O)([O-])C[C@@H](CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 ZINC000026397926 561787572 /nfs/dbraw/zinc/78/75/72/561787572.db2.gz XOYCZHYJWUFTBH-BVRKHOPBSA-N -1 0 592.717 5.972 1 0 KKAFRM CCc1ccccc1Cc1ccc(C[P@](=O)([O-])C[C@@H](CCc2ccccc2)C(=O)N[C@H](C(=O)NC)C(C)(C)C)cc1 ZINC000026402262 561788650 /nfs/dbraw/zinc/78/86/50/561788650.db2.gz WALHBIOGMPBGKI-FIRIVFDPSA-N -1 0 576.718 6.136 1 0 KKAFRM C[C@@H](COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1)c1ccccn1 ZINC000026468207 561789987 /nfs/dbraw/zinc/78/99/87/561789987.db2.gz SRMSQPPXSZMISX-NRFANRHFSA-N -1 0 565.179 8.464 1 0 KKAFRM CC(C)(C)Sc1c2cccc(OCc3ccc4ccccc4n3)c2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026469056 561790118 /nfs/dbraw/zinc/79/01/18/561790118.db2.gz JKBWJDWEPWWAOQ-UHFFFAOYSA-N -1 0 587.185 9.014 1 0 KKAFRM COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)[O-])cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1 ZINC000026480464 561791674 /nfs/dbraw/zinc/79/16/74/561791674.db2.gz OGCLKLYODLMLLI-UUWRZZSWSA-N -1 0 673.810 6.373 1 0 KKAFRM COc1ccc(F)cc1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026483073 561792024 /nfs/dbraw/zinc/79/20/24/561792024.db2.gz QNWTZVDOHHUVMR-RPWUZVMVSA-N -1 0 595.476 5.293 1 0 KKAFRM COc1cc(F)c(-c2ccc([C@@H](CC(=O)[O-])NC(=O)[C@]3(C)CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c(OC)c1 ZINC000026486269 561792478 /nfs/dbraw/zinc/79/24/78/561792478.db2.gz SEXGRSZATNOBEA-GIGWZHCTSA-N -1 0 639.529 5.692 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CC(=O)N2C[C@@H]3CCCC[C@@H]3C2)C(=O)[O-])cc1 ZINC000026490205 561793157 /nfs/dbraw/zinc/79/31/57/561793157.db2.gz JEQCKOOCZCPFMG-NXCFDTQHSA-N -1 0 516.638 5.554 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)c1ccccc1Br ZINC000026493312 561793782 /nfs/dbraw/zinc/79/37/82/561793782.db2.gz ZEAGMKZBQHJQAR-IBGZPJMESA-N -1 0 536.209 5.434 1 0 KKAFRM Cn1nnnc1-c1ccc(CC2(C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)C(=O)[O-])CCCC2)cc1 ZINC000026496042 561794339 /nfs/dbraw/zinc/79/43/39/561794339.db2.gz QMHTXRUDZGHUND-VWLOTQADSA-N -1 0 621.525 5.351 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4NC(=O)c4ccccc4S(=O)(=O)[O-])cc3)sc2c1 ZINC000026509321 561797097 /nfs/dbraw/zinc/79/70/97/561797097.db2.gz OSRBRGFNPAJKGV-UHFFFAOYSA-N -1 0 640.164 7.251 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2cccc(C3(O)CCC3)c2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026570254 561798016 /nfs/dbraw/zinc/79/80/16/561798016.db2.gz KEGQUGIJAFPXHO-LNYWEAQCSA-N -1 0 638.682 9.807 1 0 KKAFRM CCCCc1nc(Cl)c(CNC(=O)Nc2cccc3ccccc32)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000026574317 561798827 /nfs/dbraw/zinc/79/88/27/561798827.db2.gz WDIKDENTYGXQJD-UHFFFAOYSA-N -1 0 567.089 7.768 1 0 KKAFRM O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl)OCc1ccccc1 ZINC000026575280 561799167 /nfs/dbraw/zinc/79/91/67/561799167.db2.gz DYYPRZDIRVVCRN-UUWRZZSWSA-N -1 0 712.224 8.872 1 0 KKAFRM CC(C)C[C@H](C[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000026576128 561799977 /nfs/dbraw/zinc/79/99/77/561799977.db2.gz ZGTPJERIIBYCFG-RDAHNBDFSA-N -1 0 632.698 5.108 1 0 KKAFRM O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)P(=O)([O-])[C@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000026576358 561800230 /nfs/dbraw/zinc/80/02/30/561800230.db2.gz VDKNGIRBKVESJN-LOYHVIPDSA-N -1 0 510.574 6.532 1 0 KKAFRM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@](=O)([O-])Oc1ccccc1Cl ZINC000026576462 561800353 /nfs/dbraw/zinc/80/03/53/561800353.db2.gz PCLSKDHCABSMIT-SSEXGKCCSA-N -1 0 678.207 8.470 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2cc(-c4ccccc4)ccn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667899 561811558 /nfs/dbraw/zinc/81/15/58/561811558.db2.gz WMHGNMSKGZZNQX-JOCHJYFZSA-N -1 0 597.180 8.674 1 0 KKAFRM CC(C)(Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3CCS2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000026667732 561811581 /nfs/dbraw/zinc/81/15/81/561811581.db2.gz UCADMZRMJWZIEG-UHFFFAOYSA-N -1 0 583.153 8.286 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(CCCc2ccccc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026667929 561811617 /nfs/dbraw/zinc/81/16/17/561811617.db2.gz KYKOSZKYSJMRQR-VWLOTQADSA-N -1 0 590.789 8.605 1 0 KKAFRM C[C@@H](CC(=O)[O-])S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000026721809 561815354 /nfs/dbraw/zinc/81/53/54/561815354.db2.gz KPFOBHNLNKVBBA-CKPAVIPFSA-N -1 0 560.159 8.556 1 0 KKAFRM C[C@H](S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)[C@@H](C)C(=O)[O-] ZINC000026725633 561815922 /nfs/dbraw/zinc/81/59/22/561815922.db2.gz LXIAQEGNVCWRGS-FPGBCWEHSA-N -1 0 574.186 8.802 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000026728396 561816305 /nfs/dbraw/zinc/81/63/05/561816305.db2.gz XDQDNSFNEPTDAU-LVZFUZTISA-N -1 0 536.550 6.994 1 0 KKAFRM O=C([O-])CNC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026733348 561816959 /nfs/dbraw/zinc/81/69/59/561816959.db2.gz QYQLNIMXEAWVMK-MUUNZHRXSA-N -1 0 540.576 5.311 1 0 KKAFRM O=C(NC1CCCCC1)[C@@H](c1ccnc2ccccc21)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C[P@](=O)([O-])O)cc1 ZINC000026734189 561817083 /nfs/dbraw/zinc/81/70/83/561817083.db2.gz SHMZSWJSKDWCOO-MGBGTMOVSA-N -1 0 624.678 6.269 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000026735641 561817382 /nfs/dbraw/zinc/81/73/82/561817382.db2.gz LZZPPPZINPSHEI-NJUPMOEUSA-N -1 0 592.136 5.829 1 0 KKAFRM C/C(=C\C(=O)Nc1cc(Cl)ccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026735453 561817405 /nfs/dbraw/zinc/81/74/05/561817405.db2.gz VDKYCXYAXWTNRJ-DARPEHSRSA-N -1 0 579.096 8.218 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@H](CC(C)C)C(=O)N(CCC(=O)[O-])CCc2ccccc2)cc1 ZINC000026740650 561818072 /nfs/dbraw/zinc/81/80/72/561818072.db2.gz CAYABDYKSNQQPD-GDLZYMKVSA-N -1 0 572.706 5.258 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000026746287 561818878 /nfs/dbraw/zinc/81/88/78/561818878.db2.gz GGJPNETVTCVAOB-XTQSDGFTSA-N -1 0 613.541 8.871 1 0 KKAFRM COC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[P@](=O)([O-])C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C ZINC000026752085 561819856 /nfs/dbraw/zinc/81/98/56/561819856.db2.gz QNNCDQUXVSUVDG-QKFLMABSSA-N -1 0 685.909 5.759 1 0 KKAFRM CC(C)c1cccc(C(C)C)c1NC(=O)N[C@]1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3cccc(C(=O)[O-])c3c2C1 ZINC000026818656 561820669 /nfs/dbraw/zinc/82/06/69/561820669.db2.gz KYJWXQHKGYMIQT-LDLOPFEMSA-N -1 0 649.836 7.575 1 0 KKAFRM CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(C(F)(F)F)c2c1 ZINC000026836661 561824498 /nfs/dbraw/zinc/82/44/98/561824498.db2.gz UVFOPYBSQPAXJS-UHFFFAOYSA-N -1 0 600.541 6.164 1 0 KKAFRM CCc1nc(C(C)C)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026841459 561825870 /nfs/dbraw/zinc/82/58/70/561825870.db2.gz BLHGTGXUDUNFBT-UHFFFAOYSA-N -1 0 613.456 6.153 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)c1ccccc1)C(=O)Nc1ccccc1 ZINC000026964992 561829937 /nfs/dbraw/zinc/82/99/37/561829937.db2.gz SJVNLZPBUGMURM-VEEOACQBSA-N -1 0 605.716 5.886 1 0 KKAFRM COc1ccc(-c2nc3cc(-c4cccc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026969520 561830341 /nfs/dbraw/zinc/83/03/41/561830341.db2.gz DXRUBIVROOPRHO-UHFFFAOYSA-N -1 0 508.461 5.808 1 0 KKAFRM CC(CCCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026986087 561831960 /nfs/dbraw/zinc/83/19/60/561831960.db2.gz DZIRWXAINMQMOJ-UHFFFAOYSA-N -1 0 582.700 8.502 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026990934 561832508 /nfs/dbraw/zinc/83/25/08/561832508.db2.gz RBPUZTZVWZKYTO-ZNTNEXAZSA-N -1 0 660.858 8.243 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Br ZINC000027079238 561834770 /nfs/dbraw/zinc/83/47/70/561834770.db2.gz PIQBWENMTWBTGR-NRFANRHFSA-N -1 0 551.662 6.203 1 0 KKAFRM Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)Nc5ccccc5C(=O)[O-])cc43)c2cc1C ZINC000027085383 561836168 /nfs/dbraw/zinc/83/61/68/561836168.db2.gz GZBIHGJLMRJKHN-DHRITJCHSA-N -1 0 529.596 6.628 1 0 KKAFRM CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)[O-])c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000027109848 561841202 /nfs/dbraw/zinc/84/12/02/561841202.db2.gz NWCIZNDLMJREGQ-UHFFFAOYSA-N -1 0 532.526 5.980 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cnccn2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027198177 561844664 /nfs/dbraw/zinc/84/46/64/561844664.db2.gz PNWGOHNVVKPNKS-NDEPHWFRSA-N -1 0 540.689 5.595 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(Cc2cncs2)Cc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027193920 561843991 /nfs/dbraw/zinc/84/39/91/561843991.db2.gz XXGZWLUSRWYRDD-LJAQVGFWSA-N -1 0 595.737 6.535 1 0 KKAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027197969 561844635 /nfs/dbraw/zinc/84/46/35/561844635.db2.gz MDASRLACBYFXCK-CUNXSJBXSA-N -1 0 642.549 5.005 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000027207644 561846214 /nfs/dbraw/zinc/84/62/14/561846214.db2.gz CPGLLVIAWAHLKY-PGUFJCEWSA-N -1 0 591.752 8.561 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)[O-] ZINC000027309426 561850383 /nfs/dbraw/zinc/85/03/83/561850383.db2.gz LHVGZIIAYJDNGW-AALFXTQLSA-N -1 0 585.701 5.153 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000027315485 561851493 /nfs/dbraw/zinc/85/14/93/561851493.db2.gz MVEKUOLJKGMOST-CONAJATASA-N -1 0 569.702 5.489 1 0 KKAFRM O=C(Nc1ccc(C(=O)N2CC[C@H](CCS(=O)(=O)[O-])Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000027329173 561854473 /nfs/dbraw/zinc/85/44/73/561854473.db2.gz BXVMVOZCTIQAAB-RUZDIDTESA-N -1 0 572.708 6.395 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC[C@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000027408041 561855873 /nfs/dbraw/zinc/85/58/73/561855873.db2.gz QCVHVATWUZWEJD-KOJDCXFLSA-N -1 0 628.770 5.249 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(ccn2Cc2cc(Cl)c(Cl)cc2C(=O)[O-])c1 ZINC000027429878 561859018 /nfs/dbraw/zinc/85/90/18/561859018.db2.gz MZFOUPOKWGMMTP-UHFFFAOYSA-N -1 0 507.421 6.667 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(Cl)cc2)cc1-c1ccccc1)C(=O)[O-] ZINC000027518146 561862006 /nfs/dbraw/zinc/86/20/06/561862006.db2.gz AHXODNFOWLXBSZ-MHZLTWQESA-N -1 0 549.096 5.800 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000027518450 561862246 /nfs/dbraw/zinc/86/22/46/561862246.db2.gz MOXPXJYZTWAWIQ-RUZDIDTESA-N -1 0 530.584 5.113 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CCOc2ccc(Cl)cc2C(=O)[O-])c3S1 ZINC000027519943 561863287 /nfs/dbraw/zinc/86/32/87/561863287.db2.gz JJJSZTZEPKAEHZ-XMMPIXPASA-N -1 0 695.668 9.994 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CCCC(=O)[O-])CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC ZINC000027523151 561864900 /nfs/dbraw/zinc/86/49/00/561864900.db2.gz UXQNEWMJCONKFS-POURPWNDSA-N -1 0 631.166 5.081 1 0 KKAFRM CCCc1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)ccc1C ZINC000027523947 561865303 /nfs/dbraw/zinc/86/53/03/561865303.db2.gz LITAULXAAATXRV-LKCJCFKCSA-N -1 0 557.800 8.402 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1C=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000027524919 561865895 /nfs/dbraw/zinc/86/58/95/561865895.db2.gz QBGVIVDVEVWTMM-ZWZFQIOISA-N -1 0 530.089 7.999 1 0 KKAFRM CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCc1ccccc1 ZINC000027550066 561867729 /nfs/dbraw/zinc/86/77/29/561867729.db2.gz VKKDPNMARMROOY-PAHDPSBJSA-N -1 0 580.747 5.749 1 0 KKAFRM CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(N)cc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027551904 561868144 /nfs/dbraw/zinc/86/81/44/561868144.db2.gz JGHHRYSJSDJMTD-DQBJLQAUSA-N -1 0 605.813 5.424 1 0 KKAFRM CCCCC(=O)Oc1c(C)ccc(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)c1C(=O)[O-] ZINC000027553572 561868811 /nfs/dbraw/zinc/86/88/11/561868811.db2.gz BYCMEUYTTODHLB-CIOYSOAESA-N -1 0 674.916 7.232 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2cccc(Cl)c2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027522780 561864635 /nfs/dbraw/zinc/86/46/35/561864635.db2.gz NTFRIDYHCFGTFD-AREMUKBSSA-N -1 0 675.250 9.269 1 0 KKAFRM CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(Cl)(Cl)[P@](=O)([O-])OCOC(=O)C(C)(C)C ZINC000027559503 561870290 /nfs/dbraw/zinc/87/02/90/561870290.db2.gz QTKOFIRUVOWHOA-UHFFFAOYSA-N -1 0 587.323 5.144 1 0 KKAFRM C[C@H](OCCCNC(=O)c1coc(-c2ccc(/C(=C\CCCCC(=O)[O-])c3cccnc3)cc2)n1)C1CCCCC1 ZINC000027625702 561873104 /nfs/dbraw/zinc/87/31/04/561873104.db2.gz VDSYMHSEFRKHET-FNMFPPKFSA-N -1 0 559.707 6.919 1 0 KKAFRM COc1ccc(C(NC(=O)c2ccc3oc(-c4ccccc4OCCCC(=O)[O-])cc3c2)c2ccc(OC)cc2)cc1 ZINC000027635879 561874440 /nfs/dbraw/zinc/87/44/40/561874440.db2.gz MSJYXSAOJVMSDW-UHFFFAOYSA-N -1 0 565.622 6.880 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(O)cc1)N(Cc1ccccc1-c1ccccc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027638985 561874913 /nfs/dbraw/zinc/87/49/13/561874913.db2.gz LEQDZBZHKRGFDK-KZOIKXMBSA-N -1 0 521.569 5.526 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000027655403 561877454 /nfs/dbraw/zinc/87/74/54/561877454.db2.gz GVMMXYROSQCBSD-KOERPHKZSA-N -1 0 700.428 5.691 1 0 KKAFRM Cn1c(-c2c(OCC(=O)NCCCCCCCCCCCC(=O)[O-])c3ccccc3n2C)cc2ccccc21 ZINC000027657121 561877964 /nfs/dbraw/zinc/87/79/64/561877964.db2.gz FUMYMQRNRMPTJV-UHFFFAOYSA-N -1 0 531.697 6.818 1 0 KKAFRM CCC(=O)O[C@H](OP(=O)(O[C@@H](OC(=O)CC)C(C)C)[C@@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)S(=O)(=O)[O-])C(C)C ZINC000027717421 561880244 /nfs/dbraw/zinc/88/02/44/561880244.db2.gz VBCRJDNMBJIINH-YATDZKAMSA-N -1 0 664.839 8.887 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2OCc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027845485 561885556 /nfs/dbraw/zinc/88/55/56/561885556.db2.gz JDDIKIAGECJRRO-HOEAJSDGSA-N -1 0 588.676 7.021 1 0 KKAFRM O=C(Nc1ccc(C(=O)N2CCCc3c(S(=O)(=O)[O-])[nH]c4cccc2c43)cc1)c1ccccc1-c1ccccc1 ZINC000027862702 561887280 /nfs/dbraw/zinc/88/72/80/561887280.db2.gz AUWVYYFTMWCNTN-UHFFFAOYSA-N -1 0 551.624 5.927 1 0 KKAFRM COCc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)[O-])COCCOCCO2 ZINC000027876798 561888682 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QMJIUHKQZQSTQO-DEOSSOPVSA-N -1 0 506.580 5.048 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000028566980 561936607 /nfs/dbraw/zinc/93/66/07/561936607.db2.gz GPXHECQVTSMOJN-UHFFFAOYSA-N -1 0 544.072 6.955 1 0 KKAFRM CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028567823 561937015 /nfs/dbraw/zinc/93/70/15/561937015.db2.gz FCJIZDBDUYVVGN-IRLDBZIGSA-N -1 0 541.488 7.450 1 0 KKAFRM CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C(F)(F)F)cc(=O)oc3c2Cl)cc1)C(=O)[O-] ZINC000028571998 561939654 /nfs/dbraw/zinc/93/96/54/561939654.db2.gz WIVHGBANKUQAAB-DEOSSOPVSA-N -1 0 512.908 6.357 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)c1ccccc1 ZINC000028572391 561939991 /nfs/dbraw/zinc/93/99/91/561939991.db2.gz MEXHFMDZWHFHIB-HHHXNRCGSA-N -1 0 520.984 7.530 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(CC(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709057 561950593 /nfs/dbraw/zinc/95/05/93/561950593.db2.gz JESZFLHUIVYREB-MYOLODFCSA-N -1 0 563.738 6.604 1 0 KKAFRM CN1c2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708835 561950601 /nfs/dbraw/zinc/95/06/01/561950601.db2.gz GQCFHAUOBGCFEL-UHFFFAOYSA-N -1 0 627.206 8.612 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(C(=O)N[C@H](CCSC)C(=O)[O-])cc4OC)cc3)C[C@@]21C ZINC000028709077 561950657 /nfs/dbraw/zinc/95/06/57/561950657.db2.gz TUFRIWASFMBCEH-DFXWFZRHSA-N -1 0 710.937 6.922 1 0 KKAFRM Cc1ccccc1C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655804 561946704 /nfs/dbraw/zinc/94/67/04/561946704.db2.gz AZYWHZJBCDCHPW-UHFFFAOYSA-N -1 0 552.631 5.741 1 0 KKAFRM CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(CCC(=O)[O-])c2)C1=O ZINC000028655828 561946839 /nfs/dbraw/zinc/94/68/39/561946839.db2.gz KUMXVVRZKVAOBR-UHFFFAOYSA-N -1 0 546.668 5.484 1 0 KKAFRM COc1ccc(-c2cc(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)cc1OC1CCCC1 ZINC000028703051 561947634 /nfs/dbraw/zinc/94/76/34/561947634.db2.gz XVDGPLRZUAGLAN-UHFFFAOYSA-N -1 0 674.747 5.245 1 0 KKAFRM CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(OCC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000028705136 561948918 /nfs/dbraw/zinc/94/89/18/561948918.db2.gz FAPOJQUKCIAMKC-UHFFFAOYSA-N -1 0 586.501 6.128 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1C(=O)N(c1ccccc1)Cc1ccccc1-2 ZINC000028707138 561949935 /nfs/dbraw/zinc/94/99/35/561949935.db2.gz GQYJZQUERPRNNY-KAYWLYCHSA-N -1 0 570.661 6.222 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CC(C)C)O2 ZINC000028713537 561954059 /nfs/dbraw/zinc/95/40/59/561954059.db2.gz UMFCCJNOJNPPKB-GUARRIROSA-N -1 0 502.736 8.125 1 0 KKAFRM C[C@@](Cc1ccccc1)(Oc1ccc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000028756563 561956394 /nfs/dbraw/zinc/95/63/94/561956394.db2.gz BRYILKVBZUSXIJ-QNGWXLTQSA-N -1 0 538.643 8.822 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc43)cc2)cc1 ZINC000028757939 561957095 /nfs/dbraw/zinc/95/70/95/561957095.db2.gz CNIJQNREKHYOAY-JGCGQSQUSA-N -1 0 540.684 8.901 1 0 KKAFRM CCCCc1nc(Cl)c(COC)n1Cc1ccc(N(C)C(=O)c2c(Cl)ccc(Cl)c2C(=O)[O-])cc1 ZINC000028760027 561957711 /nfs/dbraw/zinc/95/77/11/561957711.db2.gz WWIGAQDPARORML-UHFFFAOYSA-N -1 0 538.859 6.355 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(CC2CCCCC2)cc1 ZINC000028760594 561957929 /nfs/dbraw/zinc/95/79/29/561957929.db2.gz WWGXOOSMLUSMCT-XRKRLSELSA-N -1 0 556.684 5.421 1 0 KKAFRM CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(I)ccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000028761861 561958271 /nfs/dbraw/zinc/95/82/71/561958271.db2.gz VSYAUMRHEHGWQT-UHFFFAOYSA-N -1 0 712.916 5.761 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCC(C)C)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028762571 561958473 /nfs/dbraw/zinc/95/84/73/561958473.db2.gz SMXPIECMTBWEDK-UIOOFZCWSA-N -1 0 514.647 5.377 1 0 KKAFRM O=C(OCCc1c2ccccc2[nH]c1[C@H](c1cccc(F)c1)c1c(=O)oc2ccccc2c1[O-])c1ccccc1 ZINC000028820949 561965998 /nfs/dbraw/zinc/96/59/98/561965998.db2.gz OEXUVAPPKYMPAX-MUUNZHRXSA-N -1 0 533.555 6.699 1 0 KKAFRM COc1ccccc1C(=O)OCCc1c2ccccc2[nH]c1[C@H](c1cncc(Br)c1)c1c([O-])c2ccccc2oc1=O ZINC000028820922 561966035 /nfs/dbraw/zinc/96/60/35/561966035.db2.gz CHZGZCAGTDHWAX-MUUNZHRXSA-N -1 0 625.475 6.726 1 0 KKAFRM CCNC(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2C)C(C)(C)CCC3(C)C ZINC000028824099 561968815 /nfs/dbraw/zinc/96/88/15/561968815.db2.gz PLUJYNDVVVTZMJ-UHFFFAOYSA-N -1 0 524.665 7.126 1 0 KKAFRM CCCN1c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824175 561969155 /nfs/dbraw/zinc/96/91/55/561969155.db2.gz KCNPAWJKFHWYSF-UHFFFAOYSA-N -1 0 689.800 9.584 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824179 561969158 /nfs/dbraw/zinc/96/91/58/561969158.db2.gz ZUZYTZXAGUZPBP-UHFFFAOYSA-N -1 0 669.847 9.452 1 0 KKAFRM Cc1ccc(Oc2ccc(OC(C)(C)C(=O)[O-])c(C)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000028825475 561970788 /nfs/dbraw/zinc/97/07/88/561970788.db2.gz SRVDNSQKPDOZJT-UHFFFAOYSA-N -1 0 519.491 6.426 1 0 KKAFRM Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Br)c2)ccc1OC(C)(C)C(=O)[O-] ZINC000028825464 561970828 /nfs/dbraw/zinc/97/08/28/561970828.db2.gz CTYVDIYMCVWPJJ-UHFFFAOYSA-N -1 0 566.370 6.741 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)CCCC2)cc1 ZINC000028879944 561976663 /nfs/dbraw/zinc/97/66/63/561976663.db2.gz MYWVBBVXMGVIJZ-BLLMUTORSA-N -1 0 618.640 7.021 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(C3CCCCC3)c(-c3ccc(F)cc3)nc2c1 ZINC000028880027 561976672 /nfs/dbraw/zinc/97/66/72/561976672.db2.gz QQLDLWDABYYBNW-NDEPHWFRSA-N -1 0 552.606 6.096 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2nc(C3CCCCC3)c(-c3ccccc3)nc2c1 ZINC000028879983 561976639 /nfs/dbraw/zinc/97/66/39/561976639.db2.gz LZFHZFRTVSTDFT-NDEPHWFRSA-N -1 0 534.616 5.957 1 0 KKAFRM C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000028878889 561976217 /nfs/dbraw/zinc/97/62/17/561976217.db2.gz NPAHYGKSENJFFL-YNJXMZRRSA-N -1 0 501.465 6.278 1 0 KKAFRM CC(C)c1cc(C(C)C)c(S(=O)(=O)n2c3ccccc3c3ccc(OCC(=O)[O-])cc32)c(C(C)C)c1 ZINC000028883053 561977407 /nfs/dbraw/zinc/97/74/07/561977407.db2.gz HIBABEJMUKTQOY-UHFFFAOYSA-N -1 0 507.652 6.865 1 0 KKAFRM CC(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)CC1 ZINC000028893986 561978652 /nfs/dbraw/zinc/97/86/52/561978652.db2.gz DOWXBZURQVMDGL-UHFFFAOYSA-N -1 0 653.755 6.420 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OCc3cc(Cl)ccc3N3CCOCC3)cc1F)n2C1CCCCC1 ZINC000028894041 561978654 /nfs/dbraw/zinc/97/86/54/561978654.db2.gz HIOVZTPWKJMGDQ-UHFFFAOYSA-N -1 0 564.057 7.115 1 0 KKAFRM O=C([O-])c1ccc2c(cc(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)n2C2CCCCC2)c1 ZINC000028894096 561978766 /nfs/dbraw/zinc/97/87/66/561978766.db2.gz ARNMNHIVHGVFRK-UHFFFAOYSA-N -1 0 593.724 7.054 1 0 KKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccc3c(c2)OCO3)c2nc3ccccc3o2)c1)C(=O)[O-] ZINC000028900775 561979831 /nfs/dbraw/zinc/97/98/31/561979831.db2.gz LJUBGDUGJBRUJW-QHCPKHFHSA-N -1 0 504.539 5.274 1 0 KKAFRM CC[C@H](Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C(F)(F)F)ccc3o2)c1)C(=O)[O-] ZINC000028900701 561979858 /nfs/dbraw/zinc/97/98/58/561979858.db2.gz UEIIYFVXACDRDS-DEOSSOPVSA-N -1 0 528.527 6.564 1 0 KKAFRM CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C(=O)Nc1cccc(O)c1 ZINC000028951245 561981474 /nfs/dbraw/zinc/98/14/74/561981474.db2.gz VWMVAZUDZKNVMN-KAYWLYCHSA-N -1 0 592.639 6.158 1 0 KKAFRM COc1ccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])n2C(C)C)cc1 ZINC000028951263 561981574 /nfs/dbraw/zinc/98/15/74/561981574.db2.gz CBCFGSVWEBOKBK-VSGBNLITSA-N -1 0 602.703 6.000 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@](O)(C(=O)[O-])C(F)(F)F)ccc1OCc1ccccc1 ZINC000028961488 561984185 /nfs/dbraw/zinc/98/41/85/561984185.db2.gz IYVFVGMFARXLQA-MHZLTWQESA-N -1 0 578.008 6.807 1 0 in-vivo KKAFRM CCCCCOc1ccc([C@@](O)(C(=O)[O-])C(F)(F)F)cc1OCCc1sc(-c2ccc(Cl)cc2)nc1C ZINC000028961607 561984356 /nfs/dbraw/zinc/98/43/56/561984356.db2.gz NPPRUHOPMCRSHH-RUZDIDTESA-N -1 0 558.018 6.797 1 0 KKAFRM O=C(c1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCCC1 ZINC000028969391 561985643 /nfs/dbraw/zinc/98/56/43/561985643.db2.gz SZJFKNMQBFKHIP-UHFFFAOYSA-N -1 0 564.405 5.611 1 0 KKAFRM CCCCCN(C(=O)N[C@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000028972037 561986005 /nfs/dbraw/zinc/98/60/05/561986005.db2.gz SFXGUQFVLCSTRX-IBGZPJMESA-N -1 0 524.605 6.414 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973658 561986271 /nfs/dbraw/zinc/98/62/71/561986271.db2.gz LQDHQVJPGDBOJR-WUFINQPMSA-N -1 0 540.685 5.911 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1cccc(CCc2ccccc2)c1 ZINC000028974022 561986281 /nfs/dbraw/zinc/98/62/81/561986281.db2.gz LQTXZPNLURATTD-BVRKHOPBSA-N -1 0 578.690 5.387 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028977858 561987419 /nfs/dbraw/zinc/98/74/19/561987419.db2.gz ZHOJVBCBTIUSRX-IZLXSDGUSA-N -1 0 660.740 5.987 1 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3nc(CCCCc4ccccc4)c[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000028978091 561987535 /nfs/dbraw/zinc/98/75/35/561987535.db2.gz CKXJADBCEBWSHG-IZLXSDGUSA-N -1 0 610.733 5.108 1 0 KKAFRM Cc1cc(SCc2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)[O-] ZINC000029058372 561995322 /nfs/dbraw/zinc/99/53/22/561995322.db2.gz VNWJWKPLAODHNH-UHFFFAOYSA-N -1 0 518.966 6.600 1 0 KKAFRM COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)cc1 ZINC000029123590 561996858 /nfs/dbraw/zinc/99/68/58/561996858.db2.gz HUJVRWRNGLDSRP-QHCPKHFHSA-N -1 0 547.627 5.465 1 0 KKAFRM COc1ccc(-c2nc(CCOc3cccc(C[C@@H]4C(=O)N(c5ccc(C(C)(C)C)cc5)[C@@H]4C(=O)[O-])c3)c(C)o2)cc1 ZINC000029126125 561998410 /nfs/dbraw/zinc/99/84/10/561998410.db2.gz GLSSNBLKKWINSD-JDXGNMNLSA-N -1 0 568.670 6.236 1 0 KKAFRM C[C@H]1COc2c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000029128326 562000849 /nfs/dbraw/zinc/00/08/49/562000849.db2.gz MVYUVXAGLVQPKP-BVZFJXPGSA-N -1 0 548.014 5.357 1 0 KKAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F ZINC000029129212 562001839 /nfs/dbraw/zinc/00/18/39/562001839.db2.gz WBAVCSKSECVPEQ-SNVBAGLBSA-N -1 0 543.291 5.832 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029212429 562005903 /nfs/dbraw/zinc/00/59/03/562005903.db2.gz JWDCXDPQLHRBFQ-IZLXSDGUSA-N -1 0 691.697 5.587 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCCc2ccccc21 ZINC000029213741 562006138 /nfs/dbraw/zinc/00/61/38/562006138.db2.gz KIKOMYCCRMDKJS-NSOVKSMOSA-N -1 0 685.649 5.384 1 0 KKAFRM O=C([O-])[C@H](CCC(=O)Nc1cccc2ccccc21)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029214316 562006207 /nfs/dbraw/zinc/00/62/07/562006207.db2.gz JLRFGTLIJKKOHD-IHLOFXLRSA-N -1 0 695.644 6.196 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)cc1 ZINC000029215450 562006358 /nfs/dbraw/zinc/00/63/58/562006358.db2.gz DZZCNFRSQJZKRR-QHCPKHFHSA-N -1 0 560.478 5.392 1 0 KKAFRM O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000029217137 562006642 /nfs/dbraw/zinc/00/66/42/562006642.db2.gz SAEQKQVPZNTBGL-LOYHVIPDSA-N -1 0 695.644 6.196 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000029217867 562006682 /nfs/dbraw/zinc/00/66/82/562006682.db2.gz IDKSGHOHJZZRDZ-FOWZEEHGSA-N -1 0 668.618 6.850 1 0 KKAFRM C[C@](Cc1ccccc1)(NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029217388 562006686 /nfs/dbraw/zinc/00/66/86/562006686.db2.gz UZPCMZSMKQMINA-SETSBSEESA-N -1 0 602.559 5.257 1 0 KKAFRM CCOP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(OCC(=O)[O-])n2)cc1)OCC ZINC000029221344 562007255 /nfs/dbraw/zinc/00/72/55/562007255.db2.gz QXUJAOUZYXPMPZ-UHFFFAOYSA-N -1 0 509.293 5.289 1 0 KKAFRM COc1ccccc1N1CCN(CCCCOc2cc(C(=O)c3cn(CCCC(=O)[O-])c4ccccc34)ccc2OCc2ccc(C)cc2)CC1 ZINC000029330110 562013755 /nfs/dbraw/zinc/01/37/55/562013755.db2.gz JJRGSYIIOKDBJX-UHFFFAOYSA-N -1 0 689.853 7.614 1 0 KKAFRM CC[C@@H](OC(=O)c1cccnc1)c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1 ZINC000029235220 562009607 /nfs/dbraw/zinc/00/96/07/562009607.db2.gz 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555.844 7.520 1 0 KKAFRM Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000029553986 562031737 /nfs/dbraw/zinc/03/17/37/562031737.db2.gz SVIJTQZVPOULGV-LOSJGSFVSA-N -1 0 531.674 6.419 1 0 KKAFRM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(I)cc(I)c1[O-] ZINC000029561853 562033501 /nfs/dbraw/zinc/03/35/01/562033501.db2.gz JWRGFJBEICZYSM-UHFFFAOYSA-N -1 0 533.918 5.161 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCCCCC3CCCCC3)CO2)cc1)c1cccnc1 ZINC000029566310 562034473 /nfs/dbraw/zinc/03/44/73/562034473.db2.gz LTCQRNQPODCPAS-IMDLGZNOSA-N -1 0 531.697 6.171 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccco1)n2C1CCCCC1 ZINC000032063141 562036809 /nfs/dbraw/zinc/03/68/09/562036809.db2.gz FAORZRMAVVOWSN-DEOSSOPVSA-N -1 0 512.566 5.414 1 0 KKAFRM C[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000034080904 562038269 /nfs/dbraw/zinc/03/82/69/562038269.db2.gz CEQYDPFPSHRSQD-YFPIXMDGSA-N -1 0 526.593 5.656 1 0 KKAFRM CCCOC(=O)N1CCc2c(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc(CCC(=O)[O-])c2C1 ZINC000034717755 562039890 /nfs/dbraw/zinc/03/98/90/562039890.db2.gz LLUZQFNWHGWRKI-UHFFFAOYSA-N -1 0 568.670 6.860 1 0 KKAFRM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c2c1CCN(C(=O)OCC(C)(C)C)C2 ZINC000034717758 562040020 /nfs/dbraw/zinc/04/00/20/562040020.db2.gz JYMSZNJYYIGFPC-UHFFFAOYSA-N -1 0 596.724 7.497 1 0 KKAFRM Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3F)cs2)cnc1N1CCC(C(=O)[O-])CC1 ZINC000034789442 562040593 /nfs/dbraw/zinc/04/05/93/562040593.db2.gz WRIFMIMPQKPCOS-UHFFFAOYSA-N -1 0 508.497 5.225 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799804 562040630 /nfs/dbraw/zinc/04/06/30/562040630.db2.gz NDOCMFOFQQGROG-BLBFUMABSA-N -1 0 707.817 6.231 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](C)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799755 562040654 /nfs/dbraw/zinc/04/06/54/562040654.db2.gz QQZLALCZNWXPLL-MGONOCMRSA-N -1 0 589.685 5.569 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799731 562040668 /nfs/dbraw/zinc/04/06/68/562040668.db2.gz QQZLALCZNWXPLL-OIFPXGRLSA-N -1 0 589.685 5.569 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccc5F)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802389 562041889 /nfs/dbraw/zinc/04/18/89/562041889.db2.gz WKFZJKDVVULWLA-UHFFFAOYSA-N -1 0 545.523 5.691 1 0 KKAFRM COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@@](=O)([O-])O ZINC000036107929 562047363 /nfs/dbraw/zinc/04/73/63/562047363.db2.gz IXMCQKQMOVPLAE-PAXWANFESA-N -1 0 505.592 5.243 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(Cc2ccccc2)c1 ZINC000036175915 562049110 /nfs/dbraw/zinc/04/91/10/562049110.db2.gz HCBMHDFZMXZIFD-PMERELPUSA-N -1 0 505.618 6.454 1 0 KKAFRM O=c1nc(-c2ccc(OC[C@@H](COCCCCc3ccccc3)OCCCCc3ccccc3)cc2)[n-]o1 ZINC000035325194 562045216 /nfs/dbraw/zinc/04/52/16/562045216.db2.gz MUZUONAGBCKECO-GDLZYMKVSA-N -1 0 516.638 6.269 1 0 KKAFRM CS(=O)(=O)c1cc2c3c(n(Cc4ccc(Cl)cc4)c2c(C2CCCCC2)c1)[C@H](CC(=O)[O-])CC3 ZINC000036190265 562050986 /nfs/dbraw/zinc/05/09/86/562050986.db2.gz ZNLLTPHWTFPWCF-IBGZPJMESA-N -1 0 500.060 6.299 1 0 KKAFRM CC(C)(CC[C@H](SCc1ccccn1)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)[O-] ZINC000036268365 562052436 /nfs/dbraw/zinc/05/24/36/562052436.db2.gz NTVRREBYUWVPEM-LJAQVGFWSA-N -1 0 533.137 8.324 1 0 KKAFRM C[C@H](CCC[C@H](SCCC(=O)N(C)C)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268363 562052490 /nfs/dbraw/zinc/05/24/90/562052490.db2.gz OKYFZWKLDADBIG-QSCMIVLMSA-N -1 0 525.114 7.202 1 0 KKAFRM O=C([O-])CCS[C@H](CCc1ccccc1-c1nc[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268385 562052495 /nfs/dbraw/zinc/05/24/95/562052495.db2.gz NAVMHFVFGUAGPV-MUUNZHRXSA-N -1 0 559.091 7.134 1 0 KKAFRM CC[C@@H](CS[C@H](CCc1ccccc1C(N)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268424 562052520 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562060226 /nfs/dbraw/zinc/06/02/26/562060226.db2.gz QNIFPONIZUCPIS-ZEQRLZLVSA-N -1 0 502.419 6.190 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387353 562060233 /nfs/dbraw/zinc/06/02/33/562060233.db2.gz PWXHKJBOOVRRKH-ZEQRLZLVSA-N -1 0 502.419 6.190 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000036387299 562060246 /nfs/dbraw/zinc/06/02/46/562060246.db2.gz TXPOPQNDUGJROM-ZEQRLZLVSA-N -1 0 502.419 6.190 3 0 KKAFRM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036748839 562061085 /nfs/dbraw/zinc/06/10/85/562061085.db2.gz OMDFUCVEWRHQGW-IZLXSDGUSA-N -1 0 654.692 6.242 1 0 KKAFRM O=C([O-])c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)NC4CCCC4)c3)n2-c2ccc(F)cc2)cc1 ZINC000038142031 562063379 /nfs/dbraw/zinc/06/33/79/562063379.db2.gz LXOQQMKVMIQNHY-UHFFFAOYSA-N -1 0 552.653 5.285 1 0 KKAFRM COc1cc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145763 562064509 /nfs/dbraw/zinc/06/45/09/562064509.db2.gz WKTQPRNNRPVIGY-OZXSUGGESA-N -1 0 541.597 5.048 3 0 KKAFRM COc1cc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145753 562064513 /nfs/dbraw/zinc/06/45/13/562064513.db2.gz MABDNVZALVKRQS-OZXSUGGESA-N -1 0 541.597 5.048 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3F)C(C(=O)[O-])=CC[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000038145751 562064544 /nfs/dbraw/zinc/06/45/44/562064544.db2.gz RIINTCXSMOSEJJ-ZEQRLZLVSA-N -1 0 520.409 6.329 3 0 KKAFRM CC(C)c1onc(CCCc2ccccc2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000040395281 562074498 /nfs/dbraw/zinc/07/44/98/562074498.db2.gz XXYLNCPQPFZEFG-CCEZHUSRSA-N -1 0 516.037 8.074 1 0 KKAFRM CC1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(COCC(=O)[O-])c3S1 ZINC000038158069 562070020 /nfs/dbraw/zinc/07/00/20/562070020.db2.gz XDYISNUSWJMQEY-NRFANRHFSA-N -1 0 585.125 7.622 1 0 KKAFRM Nc1cc(Cl)ccc1CN1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377670 562071656 /nfs/dbraw/zinc/07/16/56/562071656.db2.gz GTYWDSONJKDRTC-VWLOTQADSA-N -1 0 652.316 6.165 1 0 KKAFRM CCCCCCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040411368 562075350 /nfs/dbraw/zinc/07/53/50/562075350.db2.gz WPDWUPQOYHNKGO-SANMLTNESA-N -1 0 507.652 7.079 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2cccc(Cl)c2)[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040846366 562080312 /nfs/dbraw/zinc/08/03/12/562080312.db2.gz WLENQQUQWDDDNI-HSTAZWAASA-N -1 0 518.393 5.168 1 0 KKAFRM C[C@H](CCc1ccc(OCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040860948 562080681 /nfs/dbraw/zinc/08/06/81/562080681.db2.gz QHSKOZYANLGLJH-XMMPIXPASA-N -1 0 503.639 5.431 1 0 KKAFRM Cc1cccc(Cl)c1NC(=O)Nc1c(Cl)ccc(Cl)c1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000040861608 562080766 /nfs/dbraw/zinc/08/07/66/562080766.db2.gz YXSDPFXUTGHBFG-IBGZPJMESA-N -1 0 512.821 6.363 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2cccc(F)c2)c2c1cccc2Oc1ccc2ccccc2c1 ZINC000040873653 562081767 /nfs/dbraw/zinc/08/17/67/562081767.db2.gz GVWAIGDFTXJOEN-FYWRMAATSA-N -1 0 500.551 5.781 1 0 KKAFRM C[C@@H](Cc1ccc(OCCCCOc2ccc(CC(=O)N(C)CCc3ccccc3)cc2)cc1)C(=O)[O-] ZINC000040899217 562083316 /nfs/dbraw/zinc/08/33/16/562083316.db2.gz CLUGNJBSPRTJQL-DEOSSOPVSA-N -1 0 503.639 5.431 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@H]2CCCC(=O)C2)c(C)c1 ZINC000040900466 562083390 /nfs/dbraw/zinc/08/33/90/562083390.db2.gz MOUYIWPAGWNTNV-LVXARBLLSA-N -1 0 501.583 5.351 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C(=O)[O-])C2CCC(F)(F)CC2)c(C)c1 ZINC000040933283 562084573 /nfs/dbraw/zinc/08/45/73/562084573.db2.gz KMJGFTATOAQJQV-RUZDIDTESA-N -1 0 523.580 6.418 1 0 KKAFRM O=C([O-])c1cccc2oc(-c3cccc(O)c3NC(=O)c3cc(-c4ccccc4)nc4ccccc43)nc21 ZINC000040940093 562085794 /nfs/dbraw/zinc/08/57/94/562085794.db2.gz QFVGHAIYQGCLPX-UHFFFAOYSA-N -1 0 501.498 6.366 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccccc3Cl)cc12)C(=O)[O-] ZINC000040953201 562086336 /nfs/dbraw/zinc/08/63/36/562086336.db2.gz VFDHTLCJQNLYTR-QFIPXVFZSA-N -1 0 516.959 5.238 1 0 KKAFRM CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)C[C@@H]3CNC(C)=O)nc2-c2ccc(C)cc2)c1 ZINC000042806021 562089407 /nfs/dbraw/zinc/08/94/07/562089407.db2.gz KEQRDYCSJONRRF-PMERELPUSA-N -1 0 631.733 5.565 1 0 KKAFRM COc1c([O-])c([C@H](Cc2ccccc2)c2cc[nH]c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO ZINC000103533277 560050875 /nfs/dbraw/zinc/05/08/75/560050875.db2.gz OTUJCUNWGHZIMV-HSZRJFAPSA-N -1 0 526.565 5.130 1 0 biogenic,in-vitro KKAFRM CC(C)C1=C2[C@H]3C[C@@H](OC(=O)c4ccccc4)C(COC(=O)c4ccccc4)=C[C@@H](O)[C@]3(C)CC[C@@]2(C(=O)[O-])CC1 ZINC000095915045 560055204 /nfs/dbraw/zinc/05/52/04/560055204.db2.gz RIFCQBXYULQNTC-YVYVVWDDSA-N -1 0 558.671 5.994 1 0 biogenic,in-vitro KKAFRM COc1cc2c(c3c1Oc1cc4c(cc1O3)C(=O)N(C)CC4)[C@@H](Cc1ccc(Oc3cc(C=O)ccc3[O-])cc1)N(C)CC2 ZINC000085813373 560066704 /nfs/dbraw/zinc/06/67/04/560066704.db2.gz WUUQNVFSQHFGSF-AREMUKBSSA-N -1 0 592.648 6.303 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@@]23CO[C@@]1(O)C[C@]1(O)C=CC[C@]4(CC[C@]56CC=C[C@@]4(CC2)[C@@]5(C)CC[C@@]2(C)CC[C@@](C)(C(=O)[O-])C[C@@H]62)[C@@H]31 ZINC000085530680 560073393 /nfs/dbraw/zinc/07/33/93/560073393.db2.gz LVEHHNPQRXHLBI-PJJGGUOBSA-N -1 0 564.807 7.023 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C(CCc1cccc(CC)c1)=C(/CCCCCCCC(=O)[O-])C[C@H](O)CO ZINC000085490888 560075310 /nfs/dbraw/zinc/07/53/10/560075310.db2.gz LVLSDUMAUWAVNM-XQOAACLBSA-N -1 0 502.736 6.534 1 0 biogenic,in-vitro KKAFRM C=C/C(C)=C/C[C@]1(C)[C@H](C)CC[C@@]23C(=C[C@H](OC(=O)c4ccc(O)c(OC)c4)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000042834559 560085608 /nfs/dbraw/zinc/08/56/08/560085608.db2.gz HSCLLTPGIBCIBD-DZHOVOBOSA-N -1 0 568.663 5.626 1 0 biogenic,in-vitro KKAFRM O=C(CC[C@H]1CSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)CO[C@H](C(=O)[O-])C2 ZINC000043023390 562645018 /nfs/dbraw/zinc/64/50/18/562645018.db2.gz GWIDFOFQLXLIML-DQEYMECFSA-N -1 0 505.661 5.681 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(F)cc3)ccc12)C(=O)[O-] ZINC000043079207 562645795 /nfs/dbraw/zinc/64/57/95/562645795.db2.gz SQQRAMLTIHSAJA-QFIPXVFZSA-N -1 0 516.572 5.192 1 0 KKAFRM O=C([O-])Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n(C(c3ccccc3)c3ccccc3)c2=O)cc1 ZINC000043079742 562645857 /nfs/dbraw/zinc/64/58/57/562645857.db2.gz OMDQVJQBKYGCAL-UHFFFAOYSA-N -1 0 555.428 5.239 1 0 KKAFRM COc1ccccc1[C@@H](O)c1cc(Cl)cc(OC(C)C)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000043151804 562646373 /nfs/dbraw/zinc/64/63/73/562646373.db2.gz CLELLBMJLWSCHW-URAOTHONSA-N -1 0 603.156 5.700 1 0 KKAFRM CCC(CC)c1ccc(N(Cc2cccc(-c3ccc(COc4ccc(C[C@H](NC(C)=O)C(=O)[O-])cc4)cc3)c2)C(C)C)cc1 ZINC000043195212 562646745 /nfs/dbraw/zinc/64/67/45/562646745.db2.gz JDFRKUJJQWZYGD-LHEWISCISA-N -1 0 606.807 8.383 1 0 KKAFRM CCCCCCc1cc2c([O-])c([C@@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)c(CCCCCC)cc4[C@H]3O)c(=O)oc2cc1O ZINC000043226831 562647169 /nfs/dbraw/zinc/64/71/69/562647169.db2.gz FJVQTSLWKQYTDJ-VOTWKOMSSA-N -1 0 614.735 7.556 1 0 KKAFRM COc1ccc(/C=C/C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)[O-])CC[C@@]5(C)[C@]4(C)CC[C@@H]3C2(C)C)cc1 ZINC000043524523 562649110 /nfs/dbraw/zinc/64/91/10/562649110.db2.gz SBQZKKBGRNQKBM-ULVPAXOWSA-N -1 0 616.883 9.507 1 0 KKAFRM C[C@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2)C1 ZINC000043544023 562649620 /nfs/dbraw/zinc/64/96/20/562649620.db2.gz CAEWRSFYQPPYQS-SANMLTNESA-N -1 0 557.466 5.142 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000043649298 562650601 /nfs/dbraw/zinc/65/06/01/562650601.db2.gz FDHILDJBWFYDQT-CDYCGMQTSA-N -1 0 574.759 5.227 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000043649294 562650628 /nfs/dbraw/zinc/65/06/28/562650628.db2.gz FDHILDJBWFYDQT-QDHYQTAZSA-N -1 0 574.759 5.227 1 0 KKAFRM Cc1cc(OCc2ccc(-c3ccc(OC(F)(F)F)cc3)c(-c3ccc(OC(F)(F)F)cc3)c2)ccc1OCC(=O)[O-] ZINC000044052932 562651904 /nfs/dbraw/zinc/65/19/04/562651904.db2.gz WXVKNMWJOXNNFD-UHFFFAOYSA-N -1 0 592.488 8.169 1 0 KKAFRM CC(C)c1onc(COc2ccc(Cl)c(Cl)c2)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044265549 562652794 /nfs/dbraw/zinc/65/27/94/562652794.db2.gz PJLXHCLLQIUBGP-VOTSOKGWSA-N -1 0 572.872 8.785 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)CC[C@]23C)C1(C)C ZINC000044280709 562652880 /nfs/dbraw/zinc/65/28/80/562652880.db2.gz HGQZVAAQKMQGQF-NDKOACQQSA-N -1 0 599.853 6.526 1 0 KKAFRM CCCc1cc(C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCCn1ccc2c1cccc2OC(C)(C)C(=O)[O-] ZINC000044281357 562653114 /nfs/dbraw/zinc/65/31/14/562653114.db2.gz WYIDWASMEIZPJM-UHFFFAOYSA-N -1 0 575.705 8.203 1 0 KKAFRM CCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1OCCCn1ccc2c1cccc2OC(C)(C)C(=O)[O-] ZINC000044305553 562653489 /nfs/dbraw/zinc/65/34/89/562653489.db2.gz GPTWEMFMXWCRLE-UHFFFAOYSA-N -1 0 549.667 7.689 1 0 KKAFRM CC[C@@H](C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@@]54CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000044306964 562653892 /nfs/dbraw/zinc/65/38/92/562653892.db2.gz WVLBJJGQOYFFGO-QLSXXVJISA-N -1 0 570.811 7.139 1 0 KKAFRM C/C(=C\[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c6cc7c(cc6[nH]c5[C@]4(C)[C@@]3(C)CC[C@]2(O)O1)C[C@H]1C7=CC(C)(C)OC1(C)C)C(=O)[O-] ZINC000044308142 562654198 /nfs/dbraw/zinc/65/41/98/562654198.db2.gz NEINCGYMLGLOMN-GXZGSLQHSA-N -1 0 599.812 7.466 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(O)cc6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000044351937 562654962 /nfs/dbraw/zinc/65/49/62/562654962.db2.gz BCJLQRJLEJBGFM-DMMZMUBQSA-N -1 0 618.855 8.176 1 0 KKAFRM COc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5cc4C(=O)[O-])CC3)nc2-c2ccc(C)cc2)c1 ZINC000044352194 562655041 /nfs/dbraw/zinc/65/50/41/562655041.db2.gz WEQDOHSPVTYEAY-UHFFFAOYSA-N -1 0 546.627 5.670 1 0 KKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2c(C(=O)c3ccccc3)cccc21 ZINC000044352339 562655103 /nfs/dbraw/zinc/65/51/03/562655103.db2.gz KDCLRVJGUDZHRK-UHFFFAOYSA-N -1 0 549.667 7.689 1 0 KKAFRM Cc1cc(OCc2c(-c3ccn(C)c(=O)c3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)[O-])cn(C)c2c1 ZINC000044404645 562656487 /nfs/dbraw/zinc/65/64/87/562656487.db2.gz LJPHTAPMSUAPLM-UHFFFAOYSA-N -1 0 546.023 6.561 1 0 KKAFRM O=C([O-])c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CCCC3)cc2Cl)c1 ZINC000044404665 562656490 /nfs/dbraw/zinc/65/64/90/562656490.db2.gz GZSTXZLSFZKRAF-VAWYXSNFSA-N -1 0 568.884 9.407 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC2(C)CCCC2)c(C)c1 ZINC000044430327 562657471 /nfs/dbraw/zinc/65/74/71/562657471.db2.gz RIGBHLHCQZPKQJ-ZBLYBZFDSA-N -1 0 531.653 6.330 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc(-c3cccc(F)c3)ccc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(C)c1 ZINC000044431034 562657715 /nfs/dbraw/zinc/65/77/15/562657715.db2.gz WUFIMPRWQDXAMW-HRFSGMKKSA-N -1 0 549.643 6.449 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCCCc3ccccc3)cc12 ZINC000045368394 562662149 /nfs/dbraw/zinc/66/21/49/562662149.db2.gz CBRDFXWDCHPLBG-UHFFFAOYSA-N -1 0 516.641 7.034 1 0 KKAFRM O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCOCC1)c(-c1cc3ccccc3s1)c2C1CCCCC1 ZINC000045371713 562662257 /nfs/dbraw/zinc/66/22/57/562662257.db2.gz KCDHHPNWPKVZIR-UHFFFAOYSA-N -1 0 502.636 6.128 1 0 KKAFRM CC(C)C[C@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000045374950 562662335 /nfs/dbraw/zinc/66/23/35/562662335.db2.gz FJAJNPTVVSIQEH-SANMLTNESA-N -1 0 513.556 6.819 1 0 KKAFRM Cc1ccnc(NCc2ccc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)cc2)c1 ZINC000045385612 562662348 /nfs/dbraw/zinc/66/23/48/562662348.db2.gz PGMTXWDCGBRTJD-NDEPHWFRSA-N -1 0 507.634 6.020 1 0 KKAFRM Cc1ccnc(NCc2ccc(-c3ccc(C[C@@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)cc2)c1 ZINC000045385616 562662399 /nfs/dbraw/zinc/66/23/99/562662399.db2.gz PGMTXWDCGBRTJD-MUUNZHRXSA-N -1 0 507.634 6.020 1 0 KKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3c(F)cccc3F)ccc2CCC(=O)[O-])c1 ZINC000045387161 562662415 /nfs/dbraw/zinc/66/24/15/562662415.db2.gz YQXPHUWJIAKOMU-MHZLTWQESA-N -1 0 509.593 6.695 1 0 KKAFRM CC[C@@H](NC(=O)c1ccc2cc(C)n(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1)c1ccccc1 ZINC000045387756 562662464 /nfs/dbraw/zinc/66/24/64/562662464.db2.gz IYSIDRMGJXZLKY-SSEXGKCCSA-N -1 0 502.614 7.244 1 0 KKAFRM CCCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1OC)O2 ZINC000045390456 562662530 /nfs/dbraw/zinc/66/25/30/562662530.db2.gz UOULUSNRLONYPV-MAWQOVBNSA-N -1 0 525.667 6.286 1 0 KKAFRM CCCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000045496226 562662679 /nfs/dbraw/zinc/66/26/79/562662679.db2.gz NIXJFHKXSBEZJQ-UHFFFAOYSA-N -1 0 503.602 7.045 1 0 KKAFRM O=C([O-])CC[C@]1(c2ccc(-c3ccccc3)cc2)CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000049020152 562663347 /nfs/dbraw/zinc/66/33/47/562663347.db2.gz WFKBKGKEWUKRGP-HHHXNRCGSA-N -1 0 512.528 6.683 1 0 KKAFRM Cc1cc(OCc2nc(-c3cncnc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049021949 562663390 /nfs/dbraw/zinc/66/33/90/562663390.db2.gz AZRLDFPSQPRAGI-UHFFFAOYSA-N -1 0 517.485 5.517 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)[O-] ZINC000049034173 562663480 /nfs/dbraw/zinc/66/34/80/562663480.db2.gz JSYOXBHBSASSPV-UHFFFAOYSA-N -1 0 500.403 7.135 1 0 KKAFRM O=C([O-])[C@@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccccc1)NC(=O)c1ccc2ccccc2n1 ZINC000049605922 562666405 /nfs/dbraw/zinc/66/64/05/562666405.db2.gz QGVRHUVGSKYQFD-ZHDVZBKESA-N -1 0 697.792 5.064 1 0 KKAFRM CC[C@@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000049605931 562666451 /nfs/dbraw/zinc/66/64/51/562666451.db2.gz CSMUMGBDUUSWKP-NOZRDPDXSA-N -1 0 643.274 9.365 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CCCC1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CCCC1 ZINC000049615380 562666627 /nfs/dbraw/zinc/66/66/27/562666627.db2.gz WPGZHDDOBZPXFA-HNRBIFIRSA-N -1 0 681.535 7.258 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CC1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CC1 ZINC000049615422 562666694 /nfs/dbraw/zinc/66/66/94/562666694.db2.gz YWOXUUBDYGTWET-PSWAGMNNSA-N -1 0 625.427 5.698 1 0 KKAFRM COc1ccc(C(=O)OC[C@@H]2Oc3ccc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)cc3O[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000049694775 562669737 /nfs/dbraw/zinc/66/97/37/562669737.db2.gz FDXPVIPIJRMEIA-JTSJOTPCSA-N -1 0 614.559 5.038 1 0 KKAFRM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1 ZINC000049695354 562670469 /nfs/dbraw/zinc/67/04/69/562670469.db2.gz SPTWGXGKKOOKGJ-QNGWXLTQSA-N -1 0 602.735 7.395 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000049695551 562670761 /nfs/dbraw/zinc/67/07/61/562670761.db2.gz IFELXALKXPQZMA-LIXLHYMBSA-N -1 0 553.828 7.583 1 0 KKAFRM CC(C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000049695599 562670774 /nfs/dbraw/zinc/67/07/74/562670774.db2.gz XTEJZDMBWFPVLK-MNNKKGCPSA-N -1 0 555.844 7.374 1 0 KKAFRM COc1cc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(OC)c1OC ZINC000049709667 562671438 /nfs/dbraw/zinc/67/14/38/562671438.db2.gz LKTVUCUKEOYSRD-MUUNZHRXSA-N -1 0 563.657 5.360 1 0 KKAFRM CCCc1c(SC)c2cc(NC(=O)[C@H](CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000049745986 562674161 /nfs/dbraw/zinc/67/41/61/562674161.db2.gz YWRCLPWCJQIOPK-MUUNZHRXSA-N -1 0 576.762 8.862 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(-c2ccc(F)cn2)cc1 ZINC000049757233 562675702 /nfs/dbraw/zinc/67/57/02/562675702.db2.gz FOEZFFOVGFHBGT-PMERELPUSA-N -1 0 679.858 8.791 1 0 KKAFRM CC(C)(C)Sc1c2cc(OC[C@@H]3Cc4ccccc4N3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000049757375 562675950 /nfs/dbraw/zinc/67/59/50/562675950.db2.gz UYURHYBBVZLRBP-DEOSSOPVSA-N -1 0 577.190 8.303 1 0 KKAFRM CC[C@H](NC(=O)c1ccc2c(c1)c(SC)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000049771195 562678006 /nfs/dbraw/zinc/67/80/06/562678006.db2.gz CDIKORAYWDUOQC-PMERELPUSA-N -1 0 548.708 7.966 1 0 KKAFRM CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049771787 562678439 /nfs/dbraw/zinc/67/84/39/562678439.db2.gz WWIOHGHMZYZZAI-XMMPIXPASA-N -1 0 629.263 8.665 1 0 KKAFRM COc1ncc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1 ZINC000049774968 562678850 /nfs/dbraw/zinc/67/88/50/562678850.db2.gz FRMOAOHWBMJQKP-UHFFFAOYSA-N -1 0 531.443 5.057 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(CCC(=O)[O-])c(C(F)(F)F)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049775199 562678904 /nfs/dbraw/zinc/67/89/04/562678904.db2.gz JMHKDQOTMYQVPB-UHFFFAOYSA-N -1 0 581.534 8.120 1 0 KKAFRM COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000049775445 562679091 /nfs/dbraw/zinc/67/90/91/562679091.db2.gz QMWAICZHSKOZJP-UHFFFAOYSA-N -1 0 551.686 6.827 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)CCCC2)cc1 ZINC000049780371 562681657 /nfs/dbraw/zinc/68/16/57/562681657.db2.gz OOLQOYHCEMONID-XNTDXEJSSA-N -1 0 566.658 6.581 1 0 KKAFRM Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)cc1 ZINC000049780746 562682210 /nfs/dbraw/zinc/68/22/10/562682210.db2.gz QNBMJPHGJSBCGA-UHFFFAOYSA-N -1 0 534.996 6.319 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000049780814 562682270 /nfs/dbraw/zinc/68/22/70/562682270.db2.gz IQKLMJUDPLRATQ-XNTDXEJSSA-N -1 0 536.531 5.136 1 0 KKAFRM O=C(CCc1ccc(COc2cccnc2)cc1OCCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049781102 562682601 /nfs/dbraw/zinc/68/26/01/562682601.db2.gz LIBMRMOJDPGDBB-UHFFFAOYSA-N -1 0 602.659 6.151 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(N4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049781223 562682794 /nfs/dbraw/zinc/68/27/94/562682794.db2.gz ZYVNUSLWILXKJP-UHFFFAOYSA-N -1 0 584.616 7.327 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000049781291 562682901 /nfs/dbraw/zinc/68/29/01/562682901.db2.gz DVGLBPQHGMQTPK-FNORWQNLSA-N -1 0 591.341 5.568 1 0 KKAFRM COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n31)c1ccccc1CC2 ZINC000049784057 562683408 /nfs/dbraw/zinc/68/34/08/562683408.db2.gz JFLOLDKHVUOMJE-UNDLXJOSSA-N -1 0 560.631 5.286 1 0 KKAFRM CCOc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncccn3)CC2)c1 ZINC000049784762 562683746 /nfs/dbraw/zinc/68/37/46/562683746.db2.gz CCBQKUPQXAIQIX-UHFFFAOYSA-N -1 0 566.724 5.100 1 0 KKAFRM COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cccc(C(=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000049784782 562683771 /nfs/dbraw/zinc/68/37/71/562683771.db2.gz DBYLEOXAIOCNPC-UNDLXJOSSA-N -1 0 560.631 5.286 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049785235 562683948 /nfs/dbraw/zinc/68/39/48/562683948.db2.gz NUPBVVBPKZEWOP-UHFFFAOYSA-N -1 0 559.518 6.455 1 0 KKAFRM COc1cccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000049785294 562683986 /nfs/dbraw/zinc/68/39/86/562683986.db2.gz RCFYVQKZSZFPBA-UHFFFAOYSA-N -1 0 545.535 6.735 1 0 KKAFRM COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)[O-])cc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000049792756 562684520 /nfs/dbraw/zinc/68/45/20/562684520.db2.gz ZAHDVQMSSOLLAS-UHFFFAOYSA-N -1 0 572.104 7.172 1 0 KKAFRM CCN(CC)c1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049792990 562684594 /nfs/dbraw/zinc/68/45/94/562684594.db2.gz RCLLKHWMQADPEA-UHFFFAOYSA-N -1 0 586.632 7.573 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Nc3c(C(C)C)cccc3C(C)C)CCN(c3ccccc3OC)CC2)c1 ZINC000049802406 562685674 /nfs/dbraw/zinc/68/56/74/562685674.db2.gz JUBOYJLEVZAIOK-UHFFFAOYSA-N -1 0 579.763 5.962 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncccc3OC)CC2)c1 ZINC000049802796 562685916 /nfs/dbraw/zinc/68/59/16/562685916.db2.gz DVKGJUIPWZMAJN-UHFFFAOYSA-N -1 0 581.735 5.324 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc(C(F)(F)F)c2)cc1 ZINC000049803590 562686177 /nfs/dbraw/zinc/68/61/77/562686177.db2.gz WXMRLOMETWMOLL-UHFFFAOYSA-N -1 0 543.633 6.092 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)C[C@@H](c1c[nH]c2ccc(Br)cc21)c1ccc(C(F)(F)F)cc1 ZINC000049852118 562688758 /nfs/dbraw/zinc/68/87/58/562688758.db2.gz ITCXJXPXCOIRGX-KCWPFWIISA-N -1 0 631.445 6.338 1 0 KKAFRM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(I)cc(I)c1[O-] ZINC000049872251 562689889 /nfs/dbraw/zinc/68/98/89/562689889.db2.gz GAYGTBYXOPCGGL-UHFFFAOYSA-N -1 0 557.125 5.646 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)OCc6c(-c7ccccc7)no[n+]6[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049888764 562691450 /nfs/dbraw/zinc/69/14/50/562691450.db2.gz VTJABKHCXRDTPG-MIVHTBTNSA-N -1 0 730.943 8.597 1 0 KKAFRM O=Cc1ccccc1CS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898206 562692316 /nfs/dbraw/zinc/69/23/16/562692316.db2.gz OSQMOXJIVCQUNG-UHFFFAOYSA-N -1 0 705.276 8.281 1 0 KKAFRM C[C@H](C(=O)[O-])N(C)C(=O)Cc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000049918218 562694593 /nfs/dbraw/zinc/69/45/93/562694593.db2.gz KJERMCGZUOOLBP-DHIUTWEWSA-N -1 0 640.205 7.495 1 0 KKAFRM O=C([O-])CNc1cc(-c2ccc(-c3c4ccccc4oc3Cc3ccccc3)cc2)ccc1OCCc1ccccc1 ZINC000053084463 562696158 /nfs/dbraw/zinc/69/61/58/562696158.db2.gz SPRHBAQSCORAQS-UHFFFAOYSA-N -1 0 553.658 8.476 1 0 KKAFRM COc1cccc(OC)c1-c1ccc(C[C@H](Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000053092354 562696183 /nfs/dbraw/zinc/69/61/83/562696183.db2.gz HARMSUUPEPBDFC-IBGZPJMESA-N -1 0 513.434 6.516 1 0 KKAFRM CCOCc1cc(-c2nc(NC(=O)c3cnc(N4CCC(C(=O)[O-])CC4)c(Cl)c3)sc2F)ccc1F ZINC000053295517 562697332 /nfs/dbraw/zinc/69/73/32/562697332.db2.gz MAYZNMFRCGWSOM-UHFFFAOYSA-N -1 0 536.988 5.227 1 0 KKAFRM O=C([O-])[C@@H](NC(=O)/C=C/CCCCCCCCCC=C(Br)Br)c1ccccc1 ZINC000053298894 562697539 /nfs/dbraw/zinc/69/75/39/562697539.db2.gz IMOOOXBXMZDXQL-ZDJZVTAXSA-N -1 0 515.286 6.627 1 0 KKAFRM O=C([O-])c1cccc(OCc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc2C(F)(F)F)c1 ZINC000058563831 562699398 /nfs/dbraw/zinc/69/93/98/562699398.db2.gz IFROONJBMYIHFK-UHFFFAOYSA-N -1 0 579.358 7.796 1 0 KKAFRM CCCOc1c(=O)c2cc(Br)cc(C(=O)[O-])c2oc1-c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000058568470 562699502 /nfs/dbraw/zinc/69/95/02/562699502.db2.gz XFKPTKWQSOXGAD-UHFFFAOYSA-N -1 0 560.400 6.837 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(OCC(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000058598792 562700757 /nfs/dbraw/zinc/70/07/57/562700757.db2.gz SFOQBCXZRDNJQP-UHFFFAOYSA-N -1 0 624.443 7.864 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1 ZINC000060327837 562702774 /nfs/dbraw/zinc/70/27/74/562702774.db2.gz ZDDAKQIAOYLQLH-NRFANRHFSA-N -1 0 601.021 7.229 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2c(c1)OCCO2 ZINC000060328080 562702777 /nfs/dbraw/zinc/70/27/77/562702777.db2.gz UGJSUBXSNTWCHH-QFIPXVFZSA-N -1 0 575.061 6.101 1 0 KKAFRM Cc1ccc(Nc2c(C(=O)[O-])n(CCCOc3cccc4ccccc43)c3cccc(-c4ccccc4C)c32)cc1 ZINC000063539327 562704475 /nfs/dbraw/zinc/70/44/75/562704475.db2.gz LABRQXJTYADBRD-UHFFFAOYSA-N -1 0 540.663 8.989 1 0 KKAFRM C[C@H](c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F)N(C)c1ccc(C(=O)[O-])cc1 ZINC000064379498 562704914 /nfs/dbraw/zinc/70/49/14/562704914.db2.gz XECAIRKHDZJLEJ-OAHLLOKOSA-N -1 0 606.428 8.414 1 0 KKAFRM COc1cc(C(=O)[O-])nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc21 ZINC000066066214 562709332 /nfs/dbraw/zinc/70/93/32/562709332.db2.gz GFIMUAOFNVBEAQ-UHFFFAOYSA-N -1 0 563.437 8.273 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@@H](O)c1cc(F)ccc1Cl ZINC000066074019 562709659 /nfs/dbraw/zinc/70/96/59/562709659.db2.gz QKCQWTVPEPGGDL-QUGAMOGWSA-N -1 0 567.485 5.697 1 0 KKAFRM CCOc1ccccc1[C@@H](O)c1cc(Cl)ccc1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000066077517 562710251 /nfs/dbraw/zinc/71/02/51/562710251.db2.gz VKBLREAORYIWRA-WTYVLRPYSA-N -1 0 559.103 5.303 1 0 KKAFRM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C1CCCCC1)n1c2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1 ZINC000066080250 562710723 /nfs/dbraw/zinc/71/07/23/562710723.db2.gz HIWINEVODQLROO-SANMLTNESA-N -1 0 553.993 7.102 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1ccccc1F ZINC000066098725 562710945 /nfs/dbraw/zinc/71/09/45/562710945.db2.gz ZWQDVNCYHOOHFW-HFJWLAOPSA-N -1 0 533.040 5.043 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC(C(=O)[O-])CC1)c1ccc(Cl)cc1[C@H](O)c1cc(F)ccc1Cl ZINC000066098711 562710968 /nfs/dbraw/zinc/71/09/68/562710968.db2.gz CNKRTZGUHDQNPA-AREMUKBSSA-N -1 0 567.485 5.697 1 0 KKAFRM O=C([O-])c1sc(NC(=O)[C@H](C2CCCCC2)n2c3cc(F)c(F)cc3nc2-c2ccc(Cl)cc2)nc1C(F)(F)F ZINC000066099219 562711041 /nfs/dbraw/zinc/71/10/41/562711041.db2.gz TXEYKZGDICALBP-IBGZPJMESA-N -1 0 598.981 7.569 1 0 KKAFRM O=C([O-])CCNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000066099352 562711043 /nfs/dbraw/zinc/71/10/43/562711043.db2.gz OUCLDUDIDIQGKY-UHFFFAOYSA-N -1 0 593.480 6.267 1 0 KKAFRM O=C([O-])CCCNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000066102807 562711519 /nfs/dbraw/zinc/71/15/19/562711519.db2.gz MKHWGNTWDZIVNA-UHFFFAOYSA-N -1 0 607.507 6.657 1 0 KKAFRM O=C([O-])c1cc2c(cc1O)oc(-c1ccccc1)c2-c1cn(CCCCC(=O)Nc2cccc3ccccc32)nn1 ZINC000066112687 562712099 /nfs/dbraw/zinc/71/20/99/562712099.db2.gz CTBUVFZYHJZKMG-UHFFFAOYSA-N -1 0 546.583 6.724 1 0 KKAFRM COc1ccc([C@@H]2Nc3cccc([N-]S(C)(=O)=O)c3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000066123867 562712574 /nfs/dbraw/zinc/71/25/74/562712574.db2.gz XPNXFMQXYHZKBF-WJOKGBTCSA-N -1 0 600.697 5.371 1 0 KKAFRM COc1ccc([C@H]2Nc3cccc([N-]S(C)(=O)=O)c3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000066123869 562712597 /nfs/dbraw/zinc/71/25/97/562712597.db2.gz XPNXFMQXYHZKBF-HKBQPEDESA-N -1 0 600.697 5.371 1 0 KKAFRM O=C([O-])[C@H](Sc1nc(Cl)cc(Nc2ccc3c(c2)Cc2ccccc2-3)n1)c1cccc2ccccc21 ZINC000066136571 562713226 /nfs/dbraw/zinc/71/32/26/562713226.db2.gz IJYPMVFBKQEZRI-HHHXNRCGSA-N -1 0 510.018 7.516 1 0 KKAFRM C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-])[C@H]3[C@@H]1CC[C@@H]2O ZINC000066252042 562714611 /nfs/dbraw/zinc/71/46/11/562714611.db2.gz DNVRUIXYIAQHJP-HTTBIMAPSA-N -1 0 602.725 9.025 1 0 KKAFRM C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1Br)CC2)c1ccc(C(=O)[O-])cc1 ZINC000066258909 562715100 /nfs/dbraw/zinc/71/51/00/562715100.db2.gz RGMPYKXUSAPTPK-HNNXBMFYSA-N -1 0 547.371 6.220 1 0 KKAFRM CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC(=O)[C@]34OC(=O)[C@@]5(CCC(C)(C)C[C@H]53)CC[C@]42C)[C@@]1(C)CCC(=O)[O-] ZINC000066262236 562715517 /nfs/dbraw/zinc/71/55/17/562715517.db2.gz SVUUONIXGPOASY-QYWMCLPDSA-N -1 0 502.692 5.542 1 0 KKAFRM CC[C@H](Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)[O-] ZINC000071281013 562716594 /nfs/dbraw/zinc/71/65/94/562716594.db2.gz WKYVFAKPUNKNBD-MHZLTWQESA-N -1 0 515.034 7.830 1 0 KKAFRM COc1cccc(-c2nc(CCOc3ccc4c(c3)c(CC(=O)[O-])c(C)n4C(=O)c3ccc(Cl)cc3)c(C)o2)c1 ZINC000071296077 562717392 /nfs/dbraw/zinc/71/73/92/562717392.db2.gz WCDAALFRLIMLIE-UHFFFAOYSA-N -1 0 559.018 6.512 1 0 KKAFRM CCCCN(c1cc(-c2ccc(Cl)cc2)c(F)cc1F)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071296440 562717519 /nfs/dbraw/zinc/71/75/19/562717519.db2.gz QUESCGZAIZNLDN-GOSISDBHSA-N -1 0 552.039 6.749 1 0 KKAFRM CCCCN(c1c(C)cc(C)c(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C)c1C ZINC000071316043 562717871 /nfs/dbraw/zinc/71/78/71/562717871.db2.gz UELOYCXVTMFRNT-QHCPKHFHSA-N -1 0 558.140 7.396 1 0 KKAFRM COc1ccc2cc(Cc3cc(=O)n4c(c3-c3cccc(C(F)(F)F)c3)SC[C@H]4C(=O)[O-])ccc2c1 ZINC000071317417 562718210 /nfs/dbraw/zinc/71/82/10/562718210.db2.gz NZDZPNCTTLDBMM-QFIPXVFZSA-N -1 0 511.521 6.018 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)[O-])c(C2CCCCC2)c1 ZINC000071317453 562718280 /nfs/dbraw/zinc/71/82/80/562718280.db2.gz NVKZKIFSGZJJKK-QHCPKHFHSA-N -1 0 584.178 8.210 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](CCC)C(=O)[O-])c(C)c1C ZINC000071317826 562718312 /nfs/dbraw/zinc/71/83/12/562718312.db2.gz TVYFEFQAQHPRJD-NDEPHWFRSA-N -1 0 558.140 7.560 1 0 KKAFRM Cc1c(C)c(S(=O)(=O)N(CC2CCC2)c2cccc(-c3ccc(Cl)cc3)c2C)ccc1O[C@H](C)C(=O)[O-] ZINC000071318151 562718387 /nfs/dbraw/zinc/71/83/87/562718387.db2.gz UWZYWZRWDPGEKV-OAQYLSRUSA-N -1 0 542.097 6.780 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(OC)c1OC ZINC000071318614 562718540 /nfs/dbraw/zinc/71/85/40/562718540.db2.gz WCHKYRIIOLHJDP-LJQANCHMSA-N -1 0 562.084 6.180 1 0 KKAFRM O=C([O-])[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(CNC(=O)c3cccc4ccccc43)cc(=O)n21 ZINC000071329529 562718931 /nfs/dbraw/zinc/71/89/31/562718931.db2.gz LIUIXWYTRKWROO-NRFANRHFSA-N -1 0 524.520 5.349 1 0 KKAFRM CCCCN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)[O-])c(C)c1C ZINC000071329536 562718947 /nfs/dbraw/zinc/71/89/47/562718947.db2.gz XEMPWVKZHNFSQI-OAQYLSRUSA-N -1 0 563.638 7.145 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)c(N3CCN(Cc4ccccc4)CC3)c(F)cc2c1=O ZINC000071329964 562719011 /nfs/dbraw/zinc/71/90/11/562719011.db2.gz YHJIIDKKBUACCK-UHFFFAOYSA-N -1 0 557.519 5.367 1 0 KKAFRM CC(C)C[C@@H]1c2ccc(Cl)cc2[C@@H](c2ccccc2Cl)CN(CC(=O)N2CCC(CC(=O)[O-])CC2)C1=O ZINC000071330771 562719161 /nfs/dbraw/zinc/71/91/61/562719161.db2.gz SJYICAYPBJXIFV-JWQCQUIFSA-N -1 0 545.507 5.811 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)c(N3CCN(c4ccccc4)CC3)c(F)cc2c1=O ZINC000071330659 562719162 /nfs/dbraw/zinc/71/91/62/562719162.db2.gz RWBRRRBEZZFNJC-UHFFFAOYSA-N -1 0 543.492 5.372 1 0 KKAFRM CC(C)c1oc(-c2ccccc2C(F)(F)F)nc1CCc1noc2cc(OC(C)(C)C(=O)[O-])ccc12 ZINC000071331107 562719239 /nfs/dbraw/zinc/71/92/39/562719239.db2.gz IDNSLIKPYBSESI-UHFFFAOYSA-N -1 0 502.489 6.652 1 0 KKAFRM Cc1cc(-c2c(C3CCCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)cnc1N ZINC000071333997 562719542 /nfs/dbraw/zinc/71/95/42/562719542.db2.gz YNAFGXBDGODICX-SFQUDFHCSA-N -1 0 593.728 6.424 1 0 KKAFRM CC(C)(NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000071335172 562719672 /nfs/dbraw/zinc/71/96/72/562719672.db2.gz SMBXWOORSXECLT-XNTDXEJSSA-N -1 0 540.620 6.046 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cncnc1 ZINC000071340254 562719687 /nfs/dbraw/zinc/71/96/87/562719687.db2.gz AJELHRRRGMFBNJ-LFIBNONCSA-N -1 0 565.674 5.928 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1cnc2ccccc2c1 ZINC000071340241 562719701 /nfs/dbraw/zinc/71/97/01/562719701.db2.gz YKUDXLHVRMXDNJ-HMMYKYKNSA-N -1 0 614.746 7.686 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccc(C(F)(F)F)cn1 ZINC000071340352 562719720 /nfs/dbraw/zinc/71/97/20/562719720.db2.gz CGALLSKLKAMMER-WOJGMQOQSA-N -1 0 632.683 7.552 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000071341462 562719962 /nfs/dbraw/zinc/71/99/62/562719962.db2.gz NQCROHHIAGCXBU-WHTZSWQOSA-N -1 0 521.789 6.868 1 0 KKAFRM CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OCc3oc4cc(OC(C)C)c(OS(=O)(=O)[O-])cc4c3C(=O)OCC)cc21 ZINC000072106508 562721031 /nfs/dbraw/zinc/72/10/31/562721031.db2.gz HMWLULGOMHREST-UHFFFAOYSA-N -1 0 634.656 6.176 1 0 KKAFRM COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OCc1oc2cc(OC)c(OS(=O)(=O)[O-])cc2c1C(=O)OC(C)(C)C ZINC000072106738 562721102 /nfs/dbraw/zinc/72/11/02/562721102.db2.gz NYKRGOFOSPCYMJ-UHFFFAOYSA-N -1 0 634.656 6.176 1 0 KKAFRM Cc1c(CC(=O)[O-])c2cc(F)ccc2n1C(=O)c1ccc(OC[C@@H]2CN(C)c3ccccc3O2)c(C)c1C ZINC000072112222 562722066 /nfs/dbraw/zinc/72/20/66/562722066.db2.gz HWGMVBBAYYCZTO-NRFANRHFSA-N -1 0 516.569 5.297 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(Br)cc3)C(=O)[O-])ccc2o1 ZINC000072113696 562722467 /nfs/dbraw/zinc/72/24/67/562722467.db2.gz OPRAZQCULIVHAM-SANMLTNESA-N -1 0 561.432 6.804 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3cccc(F)c3)C(=O)[O-])ccc2o1 ZINC000072114145 562722655 /nfs/dbraw/zinc/72/26/55/562722655.db2.gz QYOTYWQXOMWMDU-SANMLTNESA-N -1 0 500.526 6.180 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@@H](Oc3ccc(C(F)(F)F)cc3)C(=O)[O-])ccc2o1 ZINC000072114291 562722660 /nfs/dbraw/zinc/72/26/60/562722660.db2.gz XHZOWERMVVUKNN-AREMUKBSSA-N -1 0 550.533 7.060 1 0 KKAFRM C/C=C(/CC[C@@H](C(=O)[S-])[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000072129912 562726567 /nfs/dbraw/zinc/72/65/67/562726567.db2.gz AUQOSBIEPMUBCQ-TVZJVHHSSA-N -1 0 618.921 6.479 1 0 in-vitro KKAFRM Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(C(=O)[O-])no3)c(C3CCCCC3)c2)nn1 ZINC000072131674 562726723 /nfs/dbraw/zinc/72/67/23/562726723.db2.gz IPTMSHPJFXKCBT-UHFFFAOYSA-N -1 0 639.750 6.244 1 0 KKAFRM C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc21)C(=O)N[C@H](CC(=O)[O-])c1ccc(O)cc1 ZINC000072131690 562726728 /nfs/dbraw/zinc/72/67/28/562726728.db2.gz PPXQSUWEWPAOGM-DHKPLNAMSA-N -1 0 727.697 5.222 1 0 in-vitro KKAFRM O=C([O-])CCCCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000072133981 562727025 /nfs/dbraw/zinc/72/70/25/562727025.db2.gz NPUCCRDDHOGKBR-XCZPVHLTSA-N -1 0 636.344 7.012 1 0 KKAFRM COc1cc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000072138330 562728756 /nfs/dbraw/zinc/72/87/56/562728756.db2.gz IFHYFNROYCNFSQ-IGKIAQTJSA-N -1 0 537.634 5.217 3 0 KKAFRM COC(=O)[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]21 ZINC000072172002 562730546 /nfs/dbraw/zinc/73/05/46/562730546.db2.gz TVCRDUNOEXZXBB-NCEWJPANSA-N -1 0 600.793 6.355 1 0 KKAFRM CC(C)c1ccc(-n2ncc3c2C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)[O-])CC[C@]54C)[C@@]2(C)C3)cc1 ZINC000072173177 562730826 /nfs/dbraw/zinc/73/08/26/562730826.db2.gz QQDJGEGABLVZMD-MQUJLKKRSA-N -1 0 596.900 9.896 1 0 KKAFRM COc1ccc(/C=C/C(=O)N[C@H](Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(=O)[O-])cc1OC ZINC000072178633 562732088 /nfs/dbraw/zinc/73/20/88/562732088.db2.gz GOFVWKFVLNCYPN-WKMZLRSWSA-N -1 0 529.564 5.400 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Br)cc1 ZINC000072181206 562732661 /nfs/dbraw/zinc/73/26/61/562732661.db2.gz YXNNODYJPHMGGQ-OAJCAZATSA-N -1 0 548.408 6.146 1 0 KKAFRM CC(C)(C)CCOc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nnn[n-]4)cc3)C2=O)c1 ZINC000072317265 562733165 /nfs/dbraw/zinc/73/31/65/562733165.db2.gz BKPCTAJENJTTAU-WHPMNUFOSA-N -1 0 683.942 8.076 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(O[C@H](C)c3cccc(C(F)(F)F)c3)cc2)cc1)C(=O)[O-] ZINC000073137827 562733381 /nfs/dbraw/zinc/73/33/81/562733381.db2.gz HDZRQSNVDCCUNF-MZNJEOGPSA-N -1 0 521.557 5.900 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000073138565 562733383 /nfs/dbraw/zinc/73/33/83/562733383.db2.gz BKXKRQGSEIULQV-HSZRJFAPSA-N -1 0 507.530 5.339 1 0 KKAFRM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1)C(=O)[O-] ZINC000073138569 562733409 /nfs/dbraw/zinc/73/34/09/562733409.db2.gz ODOUKZOJMQSYME-HSZRJFAPSA-N -1 0 507.530 5.339 1 0 KKAFRM COc1cc(C(=O)[O-])cc(NC(=O)c2nc3c(s2)CN(C(C)C)CC3)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000073156056 562733797 /nfs/dbraw/zinc/73/37/97/562733797.db2.gz JAMWLUUMKDBCCE-UHFFFAOYSA-N -1 0 557.072 5.093 1 0 KKAFRM CCOc1cccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)n1 ZINC000073142314 562733802 /nfs/dbraw/zinc/73/38/02/562733802.db2.gz WOOSKEULIBABRR-UHFFFAOYSA-N -1 0 637.846 8.977 1 0 KKAFRM COC(=O)N(CCc1ccccc1)Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC ZINC000073157770 562733893 /nfs/dbraw/zinc/73/38/93/562733893.db2.gz IBQCEFHVBCTAEA-UHFFFAOYSA-N -1 0 501.501 5.819 1 0 KKAFRM COc1cccnc1-c1ccc(Cn2c3ccc(OCc4ccc(C)cn4)cc3c(SC(C)(C)C)c2CC(C)(C)C(=O)[O-])cc1 ZINC000073158455 562733929 /nfs/dbraw/zinc/73/39/29/562733929.db2.gz VXNFYHMEFRXFMF-UHFFFAOYSA-N -1 0 623.819 8.587 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1ccc(Cl)cc1 ZINC000073167369 562734578 /nfs/dbraw/zinc/73/45/78/562734578.db2.gz QTGFRLQHUVFSMB-UHFFFAOYSA-N -1 0 535.946 6.820 1 0 KKAFRM O=C([O-])CCCSc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000073197303 562735309 /nfs/dbraw/zinc/73/53/09/562735309.db2.gz IODIRGAXDLIGBF-UHFFFAOYSA-N -1 0 551.880 5.570 1 0 KKAFRM O=C([O-])/C=C/c1cc(Br)c(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1Br ZINC000073197837 562735459 /nfs/dbraw/zinc/73/54/59/562735459.db2.gz HCBMKJLXOZWPCD-DUXPYHPUSA-N -1 0 532.272 7.150 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)NCC(=O)[O-])c(OC(C)C)c1 ZINC000073199272 562735971 /nfs/dbraw/zinc/73/59/71/562735971.db2.gz ASIGNTMZUIJCEC-FTJBHMTQSA-N -1 0 556.446 6.128 1 0 KKAFRM Cc1cccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)[O-])c4)c4cc(C(F)(F)F)ccc43)noc21 ZINC000073199640 562736022 /nfs/dbraw/zinc/73/60/22/562736022.db2.gz VKANZBPILNBWTC-CQSZACIVSA-N -1 0 545.901 5.814 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3cccc(C)c3)ccc2c1 ZINC000073296082 562737691 /nfs/dbraw/zinc/73/76/91/562737691.db2.gz VLYBXNSIDCOCLK-YTTGMZPUSA-N -1 0 583.710 6.999 1 0 KKAFRM COc1ccc([C@@H](CC(=O)CCc2ccc3cc(OC)ccc3c2)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000073312481 562737889 /nfs/dbraw/zinc/73/78/89/562737889.db2.gz XYBCKNBIEMHAKW-JGCGQSQUSA-N -1 0 599.709 6.699 1 0 KKAFRM COc1cc(CC(=O)[O-])ccc1Oc1ccc(C(=O)NC2CCC2)cc1CS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000082157752 562740979 /nfs/dbraw/zinc/74/09/79/562740979.db2.gz YNXXJAOBHPYROR-UHFFFAOYSA-N -1 0 578.470 5.678 1 0 KKAFRM COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3ccc([N-]S(=O)(=O)c5cccc6ccccc65)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000082181707 562741902 /nfs/dbraw/zinc/74/19/02/562741902.db2.gz IFPYLIOJLUMYJI-HXDWSPRTSA-N -1 0 722.772 5.801 1 0 KKAFRM CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3CCC(=O)[O-])s1 ZINC000084597016 562743907 /nfs/dbraw/zinc/74/39/07/562743907.db2.gz UNVWJXYKCKGIGW-UHFFFAOYSA-N -1 0 516.545 6.100 1 0 KKAFRM COC(=O)c1cccc(-c2ccc(-c3ccc(CN(C(=O)CN(C)S(=O)(=O)c4ccc(C)cc4)c4ccc(C(=O)[O-])c(O)c4)cc3)cc2)c1 ZINC000084603608 562744172 /nfs/dbraw/zinc/74/41/72/562744172.db2.gz LXXBORWQOCZOIL-UHFFFAOYSA-N -1 0 678.763 6.373 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(Br)c2)cc1 ZINC000084652594 562746617 /nfs/dbraw/zinc/74/66/17/562746617.db2.gz WONZEIAUQRRXKO-UHFFFAOYSA-N -1 0 538.482 7.191 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1 ZINC000084652638 562746634 /nfs/dbraw/zinc/74/66/34/562746634.db2.gz XCINLJHUSXRCQV-UHFFFAOYSA-N -1 0 537.678 5.832 1 0 KKAFRM COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000084653137 562746782 /nfs/dbraw/zinc/74/67/82/562746782.db2.gz NBFHHFILQVZGSP-UHFFFAOYSA-N -1 0 505.596 5.070 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1c(F)cccc1Cl)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084653523 562746906 /nfs/dbraw/zinc/74/69/06/562746906.db2.gz QOVKJGDSVKTSFY-DEOSSOPVSA-N -1 0 596.067 8.778 1 0 KKAFRM COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CCCCNC1=O ZINC000084655382 562747474 /nfs/dbraw/zinc/74/74/74/562747474.db2.gz VASGGYKYDYEGLH-UHFFFAOYSA-N -1 0 576.719 5.153 1 0 KKAFRM CC(C)Oc1cccc(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084669133 562747888 /nfs/dbraw/zinc/74/78/88/562747888.db2.gz UMYGAQULMDWZFJ-UHFFFAOYSA-N -1 0 517.666 7.215 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2cccc(-c3ccccc3)c2)cc1 ZINC000084669382 562747968 /nfs/dbraw/zinc/74/79/68/562747968.db2.gz HSIQMZHZCGSEGO-UHFFFAOYSA-N -1 0 535.684 8.095 1 0 KKAFRM CC(C)S(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669527 562747999 /nfs/dbraw/zinc/74/79/99/562747999.db2.gz OCTRODWZSNQUGG-VWLOTQADSA-N -1 0 643.545 5.546 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)C(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000084671305 562748482 /nfs/dbraw/zinc/74/84/82/562748482.db2.gz MPORYEXRFKLYMJ-UHFFFAOYSA-N -1 0 573.860 7.979 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084690587 562749643 /nfs/dbraw/zinc/74/96/43/562749643.db2.gz NRQDADMALYCZRS-RRPNLBNLSA-N -1 0 632.131 5.281 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CC1CC1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084710265 562750482 /nfs/dbraw/zinc/75/04/82/562750482.db2.gz MQWQMHPKGLTROT-OAQYLSRUSA-N -1 0 507.599 7.543 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](CCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711129 562750604 /nfs/dbraw/zinc/75/06/04/562750604.db2.gz HKPPZDJYTWTWDJ-MHZLTWQESA-N -1 0 585.713 9.156 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](CCCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711133 562750652 /nfs/dbraw/zinc/75/06/52/562750652.db2.gz VDVOIWGYBZKFKO-NDEPHWFRSA-N -1 0 599.740 9.546 1 0 KKAFRM CN1CCCCCNC(=O)COc2ccc(F)cc2-c2c(C3CCCCC3)c3ccc(cc3n2C)C(=O)[N-]S1(=O)=O ZINC000084712516 562750837 /nfs/dbraw/zinc/75/08/37/562750837.db2.gz DKJXVXFNVKPVRK-UHFFFAOYSA-N -1 0 584.714 5.192 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1ccc(F)cc1F)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724816 562751218 /nfs/dbraw/zinc/75/12/18/562751218.db2.gz UDYJBTDOLSXTBP-DEOSSOPVSA-N -1 0 579.612 8.263 1 0 KKAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 ZINC000084725654 562751291 /nfs/dbraw/zinc/75/12/91/562751291.db2.gz PWCLBJYOGZNYIQ-PCBIHFGQSA-N -1 0 534.659 5.497 1 0 KKAFRM COc1ccc(NC(=O)N(CCCCC2CCCCC2)CCc2ccc(SC(C)(C)C(=O)[O-])cc2)cc1 ZINC000084730273 562751623 /nfs/dbraw/zinc/75/16/23/562751623.db2.gz ANZROICTIIFGKZ-UHFFFAOYSA-N -1 0 526.743 7.478 1 0 KKAFRM O=C([O-])c1ccc(C2=c3ccc([nH]3)=C(c3ccc(C(=O)[O-])cc3)[C@H]3C=C[C@@H]([NH2+]3)C(c3ccc(C(=O)[O-])cc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC2=[NH+]3)cc1 ZINC000095542194 562756544 /nfs/dbraw/zinc/75/65/44/562756544.db2.gz VJPIXWVBSBULQG-JMHNULSSSA-N -1 0 748.795 6.262 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1 ZINC000095547777 562758865 /nfs/dbraw/zinc/75/88/65/562758865.db2.gz RWUXVUTVRJKNCY-LWQOTUEFSA-N -1 0 769.895 7.361 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000095551657 562760365 /nfs/dbraw/zinc/76/03/65/562760365.db2.gz FYVSRKUXYNCOSD-RRPNLBNLSA-N -1 0 744.579 6.409 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000095551656 562760370 /nfs/dbraw/zinc/76/03/70/562760370.db2.gz DMOKFCLZFJWEED-RRPNLBNLSA-N -1 0 733.680 6.665 1 0 KKAFRM CCc1c(I)c(C)c(Oc2c(I)c(C)c(CC(=O)[O-])c(C)c2I)c(C)c1I ZINC000095551977 562760491 /nfs/dbraw/zinc/76/04/91/562760491.db2.gz PIUOCKALBCURGQ-UHFFFAOYSA-N -1 0 815.993 7.320 1 0 KKAFRM O=C([O-])c1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccccc1)C[C@@H](OCc1ccccc1)c1ccccc1 ZINC000095553882 562761089 /nfs/dbraw/zinc/76/10/89/562761089.db2.gz OAQVXPDJWTUUIO-LQFQNGICSA-N -1 0 612.726 6.713 1 0 KKAFRM CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)NCCCC(=O)[O-])C4(C)C ZINC000095561887 562763505 /nfs/dbraw/zinc/76/35/05/562763505.db2.gz QQVFZIXBAANTNO-ZFAOPSGQSA-N -1 0 686.931 6.626 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2cc(F)ccc2F)c(F)c1 ZINC000095584909 562773395 /nfs/dbraw/zinc/77/33/95/562773395.db2.gz FWKLYNJEQGUMHQ-UHFFFAOYSA-N -1 0 520.436 5.358 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccsc1 ZINC000095572109 562769306 /nfs/dbraw/zinc/76/93/06/562769306.db2.gz MUGPCHIUXFBPDG-XNTDXEJSSA-N -1 0 555.700 6.809 1 0 KKAFRM CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@H](Cc2nnn[n-]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000095572779 562769496 /nfs/dbraw/zinc/76/94/96/562769496.db2.gz PDGUCDUDEBRWJB-UWSZBUKDSA-N -1 0 544.483 5.543 1 0 KKAFRM C/C(=C\c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3csc(N)n3)c4C3CCCC3)CCC2)cc1)C(=O)[O-] ZINC000095573938 562769839 /nfs/dbraw/zinc/76/98/39/562769839.db2.gz MVMQZSNMPXMNIR-KNTRCKAVSA-N -1 0 597.741 6.321 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(Oc2ccc(F)cc2-c2ccnn2CC(F)(F)F)c(F)c1 ZINC000095585560 562773638 /nfs/dbraw/zinc/77/36/38/562773638.db2.gz SMMWHJNZTCQIMA-UHFFFAOYSA-N -1 0 516.473 5.440 1 0 KKAFRM Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)cc3n2C)n1 ZINC000095575035 562770179 /nfs/dbraw/zinc/77/01/79/562770179.db2.gz IFRGNCLIQVSSOZ-XMHGGMMESA-N -1 0 564.686 6.451 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C4CCCCC4)c3)cc2C(C)(C)C)c1 ZINC000095575389 562770281 /nfs/dbraw/zinc/77/02/81/562770281.db2.gz NLSDSRAWGFKIFW-NDEPHWFRSA-N -1 0 518.669 8.516 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cn1 ZINC000095576305 562770583 /nfs/dbraw/zinc/77/05/83/562770583.db2.gz FNEMLYLQYCOWSI-LICLKQGHSA-N -1 0 585.104 6.796 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1ccoc1 ZINC000095577440 562770904 /nfs/dbraw/zinc/77/09/04/562770904.db2.gz ZNOJOSFYRILLRD-XNTDXEJSSA-N -1 0 539.632 6.341 1 0 KKAFRM CCCOc1ccc(C[C@H](CCc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095577323 562770947 /nfs/dbraw/zinc/77/09/47/562770947.db2.gz LRXGJOXZHIWAFZ-MAWGWABVSA-N -1 0 579.781 7.749 1 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCC4)cc3n2C)nc1 ZINC000095579633 562771629 /nfs/dbraw/zinc/77/16/29/562771629.db2.gz LEMKJLWZCSZLJU-GZTJUZNOSA-N -1 0 576.697 6.595 1 0 KKAFRM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2cc(OC(F)(F)F)ccc2-c2ccnnc2)cc1F ZINC000095581236 562772080 /nfs/dbraw/zinc/77/20/80/562772080.db2.gz LJVGPJFWWFDHNY-UHFFFAOYSA-N -1 0 547.899 5.279 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)n2C(=O)c1ccc(Cl)cc1 ZINC000095581703 562772274 /nfs/dbraw/zinc/77/22/74/562772274.db2.gz MYCRGXZCLQQCGH-UHFFFAOYSA-N -1 0 578.996 5.757 1 0 KKAFRM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095582031 562772379 /nfs/dbraw/zinc/77/23/79/562772379.db2.gz GPFRENFANBEZGZ-UHFFFAOYSA-N -1 0 519.889 5.333 1 0 KKAFRM CC(C)(C)n1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Cl ZINC000095582178 562772499 /nfs/dbraw/zinc/77/24/99/562772499.db2.gz PZCIGBGAPKHWRK-UHFFFAOYSA-N -1 0 525.002 6.286 1 0 KKAFRM CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3nccs3)cc2F)cc1 ZINC000095582306 562772523 /nfs/dbraw/zinc/77/25/23/562772523.db2.gz DPMZFYDZFBBZHQ-UHFFFAOYSA-N -1 0 540.564 6.513 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccc3ccccc3c1)n2C(=O)c1ccc(Cl)cc1 ZINC000095582604 562772629 /nfs/dbraw/zinc/77/26/29/562772629.db2.gz FJRNPGCUFVCATL-UHFFFAOYSA-N -1 0 561.059 5.891 1 0 KKAFRM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2cc(OC(F)(F)F)c(F)cc2-c2ccnnc2)cc1F ZINC000095584438 562773234 /nfs/dbraw/zinc/77/32/34/562773234.db2.gz WVHQAKOTTVZPGT-UHFFFAOYSA-N -1 0 565.889 5.418 1 0 KKAFRM Cn1nccc1-c1cc(Br)ccc1Oc1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000095585021 562773426 /nfs/dbraw/zinc/77/34/26/562773426.db2.gz OAVQDENKXCDPML-UHFFFAOYSA-N -1 0 509.382 5.038 1 0 KKAFRM CCN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2F)C1 ZINC000095585431 562773613 /nfs/dbraw/zinc/77/36/13/562773613.db2.gz FUEMKENJKYZACX-UHFFFAOYSA-N -1 0 552.028 5.408 1 0 KKAFRM CC(C)(C)c1nc(-c2ccc(F)c([N-]S(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1 ZINC000095587811 562774453 /nfs/dbraw/zinc/77/44/53/562774453.db2.gz HZJHQSYVTIOHJV-UHFFFAOYSA-N -1 0 625.720 5.239 1 0 KKAFRM Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c(=O)[nH]1 ZINC000095588147 562774527 /nfs/dbraw/zinc/77/45/27/562774527.db2.gz HHNBBKPRVOJRLK-KRWDZBQOSA-N -1 0 513.299 5.102 1 0 KKAFRM CCCc1nn(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(=S)n1-c1cccc(I)c1 ZINC000095594520 562776485 /nfs/dbraw/zinc/77/64/85/562776485.db2.gz DVJMTNFNGYSTBI-UHFFFAOYSA-N -1 0 688.567 5.227 1 0 KKAFRM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600801 562779196 /nfs/dbraw/zinc/77/91/96/562779196.db2.gz SSJOUEQPGSKUQN-FMNMDZGISA-N -1 0 769.283 7.119 1 0 KKAFRM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095600945 562779390 /nfs/dbraw/zinc/77/93/90/562779390.db2.gz MAFQTNOLKRXSIQ-GBXOJDCZSA-N -1 0 740.867 6.527 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@H]2CCCCN2S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC ZINC000095604724 562781186 /nfs/dbraw/zinc/78/11/86/562781186.db2.gz TVGYPBVOGSTTOF-FIRIVFDPSA-N -1 0 737.699 5.888 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000095606079 562781903 /nfs/dbraw/zinc/78/19/03/562781903.db2.gz WCCQQKNNQWOTAO-FPCYGPBVSA-N -1 0 803.045 8.140 1 0 KKAFRM CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(N)=O)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1 ZINC000095606846 562782460 /nfs/dbraw/zinc/78/24/60/562782460.db2.gz IKOJOIQLVMPFKK-UHFFFAOYSA-N -1 0 819.981 5.166 1 0 KKAFRM O=C([O-])/C(=C/c1sc2cc(OCc3ccc(-c4ccccc4)cc3)c(OCc3ccc(-c4ccccc4)cc3)cc2c1Oc1ccccc1)c1ccncc1 ZINC000095609763 562783981 /nfs/dbraw/zinc/78/39/81/562783981.db2.gz ODZJLQRENDHYMD-MLYMZAKTSA-N -1 0 737.877 12.206 1 0 KKAFRM O=C([O-])c1sc2cc(N3C(=S)N=NC3c3ccc(Cl)c(Br)c3)ccc2c1Cl ZINC000096273205 562794421 /nfs/dbraw/zinc/79/44/21/562794421.db2.gz MVQNNBQIFYCTHS-UHFFFAOYSA-N -1 0 501.214 6.205 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000095612066 562785255 /nfs/dbraw/zinc/78/52/55/562785255.db2.gz FMTRSBAPKAYXMS-FNNZQJQASA-N -1 0 767.707 7.198 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2Br)cc1 ZINC000095613433 562786328 /nfs/dbraw/zinc/78/63/28/562786328.db2.gz XGMKNOSHETWXAR-UHFFFAOYSA-N -1 0 744.107 8.536 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000095613542 562786376 /nfs/dbraw/zinc/78/63/76/562786376.db2.gz ZULRCZLQQFZVNO-HVPBSWBLSA-N -1 0 802.152 7.852 1 0 KKAFRM CN(C)c1cccc2c1cccc2S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c3ccccc32)C(=O)[O-])cc1 ZINC000095613768 562786507 /nfs/dbraw/zinc/78/65/07/562786507.db2.gz JFHSRPQQWWQYFB-UMSFTDKQSA-N -1 0 753.855 6.550 1 0 KKAFRM CO[C@H]1O[C@H](COCc2cn(CCCCCOc3ccc(O)c(C(=O)[O-])c3)nn2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000095617284 562787937 /nfs/dbraw/zinc/78/79/37/562787937.db2.gz FNXJLVCRFXCZHK-NPHQGNLKSA-N -1 0 809.825 5.496 1 0 KKAFRM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095753232 562788907 /nfs/dbraw/zinc/78/89/07/562788907.db2.gz OQAIXMVZSOTSGY-CBUCOWSNSA-N -1 0 720.893 5.334 1 0 KKAFRM CC1(C)CC([C@@H](Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)c2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000096170591 562791172 /nfs/dbraw/zinc/79/11/72/562791172.db2.gz MYZIDYJMNWEJMC-QHCPKHFHSA-N -1 0 515.536 5.080 1 0 in-vitro KKAFRM Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCCC=CCS(=O)(=O)[N-]C6=O)ccc3n2)s1 ZINC000096172342 562791331 /nfs/dbraw/zinc/79/13/31/562791331.db2.gz CXIUQHBAYJIOPS-YWEYNIOJSA-N -1 0 667.857 7.355 1 0 KKAFRM CC(C)(C)c1[nH]nc2c1[C@H](c1ccccc1OCc1nnn[n-]1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177182 562792413 /nfs/dbraw/zinc/79/24/13/562792413.db2.gz ODRDXISBDWRQIB-DEOSSOPVSA-N -1 0 511.611 5.278 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCCCC2)c2nc(C)nn21 ZINC000096178234 562792503 /nfs/dbraw/zinc/79/25/03/562792503.db2.gz VPYVNOPQQURTHA-UHFFFAOYSA-N -1 0 524.625 5.258 1 0 KKAFRM CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@@H]2CCOC(C)(C)C2)c2nc(C)nn21 ZINC000096178257 562792583 /nfs/dbraw/zinc/79/25/83/562792583.db2.gz MWAHGVJGCAYJQF-HSZRJFAPSA-N -1 0 568.678 5.273 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC3(CC2)OCC(C)(C)CO3)c2ncnn21 ZINC000096178279 562792615 /nfs/dbraw/zinc/79/26/15/562792615.db2.gz BWRLWJYESQVIOV-UHFFFAOYSA-N -1 0 610.715 5.329 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCC(OC[C@H](O)C(F)(F)F)CC2)c2ccnn21 ZINC000096178382 562792685 /nfs/dbraw/zinc/79/26/85/562792685.db2.gz UEAWSAMQJZBDPC-BSYJTBJZSA-N -1 0 637.659 5.885 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(C[C@@H]3C(=O)[O-])CC4)cc2C2=CCCC2(C)C)c1 ZINC000096270306 562793125 /nfs/dbraw/zinc/79/31/25/562793125.db2.gz JATIUJDLIVNBMA-CYTLCNBWSA-N -1 0 512.621 7.572 1 0 KKAFRM C[C@@H](C1=NO[C@@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1)c1ccccc1 ZINC000096271085 562793669 /nfs/dbraw/zinc/79/36/69/562793669.db2.gz QYLJGOVKEZPOFK-YOWCZWOYSA-N -1 0 568.457 5.696 1 0 KKAFRM C[C@H](C1=NO[C@@](C)(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])C1)c1ccccc1 ZINC000096271084 562793674 /nfs/dbraw/zinc/79/36/74/562793674.db2.gz QYLJGOVKEZPOFK-QFBFHCEGSA-N -1 0 568.457 5.696 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2c(Cl)cccc2Cl)=NO1 ZINC000096271096 562793695 /nfs/dbraw/zinc/79/36/95/562793695.db2.gz AVPIHYOGNDHDFW-CCLHPLFOSA-N -1 0 609.293 6.248 1 0 KKAFRM C/C(=C\Cn1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)[O-])cc21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272092 562793965 /nfs/dbraw/zinc/79/39/65/562793965.db2.gz VXRDMDBFZQPZFB-ZMTVKECJSA-N -1 0 552.243 11.021 1 0 KKAFRM CCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3c(N)nccc3c2)n1 ZINC000096283227 562794849 /nfs/dbraw/zinc/79/48/49/562794849.db2.gz DVQBLDBVWMOMBH-UHFFFAOYSA-N -1 0 541.608 5.004 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cccc(F)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283767 562794957 /nfs/dbraw/zinc/79/49/57/562794957.db2.gz PVSYJLKAUCTDNY-HSZRJFAPSA-N -1 0 517.944 5.530 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cccc(Cl)c2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283765 562794965 /nfs/dbraw/zinc/79/49/65/562794965.db2.gz HXYWYEIVQXYQMP-HSZRJFAPSA-N -1 0 534.399 6.044 1 0 KKAFRM Cc1cccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000096283762 562794966 /nfs/dbraw/zinc/79/49/66/562794966.db2.gz IXXFFDFADBJDMH-DEOSSOPVSA-N -1 0 513.981 5.699 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000096283822 562794988 /nfs/dbraw/zinc/79/49/88/562794988.db2.gz SOPHVPQRNMCHGC-QHCPKHFHSA-N -1 0 623.301 6.263 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Br)cc2)C[C@@H]1c1ccccc1 ZINC000096283817 562794989 /nfs/dbraw/zinc/79/49/89/562794989.db2.gz KCLGHAMKAKRLDS-HSZRJFAPSA-N -1 0 544.405 5.500 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096283827 562795024 /nfs/dbraw/zinc/79/50/24/562795024.db2.gz JMLZANPUPVANFX-HSZRJFAPSA-N -1 0 567.951 6.410 1 0 KKAFRM O=C([O-])c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000096284636 562795196 /nfs/dbraw/zinc/79/51/96/562795196.db2.gz CHWIQVKCYCOZFZ-UHFFFAOYSA-N -1 0 737.143 7.911 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2c(F)c(F)cc(F)c2F)cc1 ZINC000096284657 562795233 /nfs/dbraw/zinc/79/52/33/562795233.db2.gz LRTQYZVGJCJSFY-UHFFFAOYSA-N -1 0 698.735 7.427 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)CC(C)C)cc1 ZINC000096284694 562795272 /nfs/dbraw/zinc/79/52/72/562795272.db2.gz XDXMTQMYJLDYAZ-UHFFFAOYSA-N -1 0 592.758 6.327 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)c(F)c1 ZINC000096285488 562795743 /nfs/dbraw/zinc/79/57/43/562795743.db2.gz CVEZSZMYAOIEHQ-QNGWXLTQSA-N -1 0 738.841 8.993 1 0 KKAFRM O=C([O-])c1ccccc1NC(=O)c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)n1 ZINC000096285500 562795774 /nfs/dbraw/zinc/79/57/74/562795774.db2.gz AKVXHTFUFHYUGD-NDEPHWFRSA-N -1 0 583.710 6.653 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nc6ccccc6nc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096903107 562797814 /nfs/dbraw/zinc/79/78/14/562797814.db2.gz JEMZAEOKBCRTGP-LRSYSFODSA-N -1 0 653.952 9.061 1 0 KKAFRM COc1ccc(/C=C2/OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000096903517 562797940 /nfs/dbraw/zinc/79/79/40/562797940.db2.gz PFYWKGUTCUHXDB-NOMSGPFMSA-N -1 0 746.040 7.545 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(COC(=O)/C=C\c4ccc(O)cc4)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000096909293 562799575 /nfs/dbraw/zinc/79/95/75/562799575.db2.gz RZHJGXXCTIXCRI-ACEAEEMCSA-N -1 0 618.855 8.032 1 0 KKAFRM O=c1nc(CN2CCN(Cc3ccccc3)CC2)[n-]c2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc21 ZINC000096909361 562799583 /nfs/dbraw/zinc/79/95/83/562799583.db2.gz XKTSUHJUGOBSRV-UHFFFAOYSA-N -1 0 545.712 6.385 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(-c2cccnc2)cc1 ZINC000096909578 562799605 /nfs/dbraw/zinc/79/96/05/562799605.db2.gz GJBNEVFXFKPELL-MUUNZHRXSA-N -1 0 508.618 5.953 1 0 KKAFRM C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2[C@](C)(Br)[C@H]2Oc3[nH]cc(-c4ccc([O-])c(Br)c4Br)c(=O)c3C(=O)[C@@H]12 ZINC000096910182 562799883 /nfs/dbraw/zinc/79/98/83/562799883.db2.gz UGRSAUDSEOXIOT-PHJQESNTSA-N -1 0 670.236 7.657 1 0 KKAFRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cc5cccc(CC(=O)[O-])c5)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21 ZINC000096927787 562802697 /nfs/dbraw/zinc/80/26/97/562802697.db2.gz IUVDJJBDQBUQDG-QVNLIAGCSA-N -1 0 564.726 7.232 1 0 KKAFRM O=S(=O)([N-]c1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2ccccn2)s1 ZINC000096934782 562803945 /nfs/dbraw/zinc/80/39/45/562803945.db2.gz WNIOMJBBEGUJHJ-UHFFFAOYSA-N -1 0 527.071 5.707 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(NC(=S)Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000096934992 562803964 /nfs/dbraw/zinc/80/39/64/562803964.db2.gz OUOVLSQEDYNDON-UHFFFAOYSA-N -1 0 509.560 5.320 1 0 KKAFRM O=C([O-])CCCC[N@H+](CCc1ccccc1OCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000096938318 562804487 /nfs/dbraw/zinc/80/44/87/562804487.db2.gz KJMQIQGZRNYQSS-UHFFFAOYSA-N -1 0 629.753 8.723 1 0 in-vitro KKAFRM O=C([O-])c1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940294 562804974 /nfs/dbraw/zinc/80/49/74/562804974.db2.gz ALAFBKXRHVINDN-UHFFFAOYSA-N -1 0 592.724 8.852 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000098208287 562805995 /nfs/dbraw/zinc/80/59/95/562805995.db2.gz PNBIDSMJDDJULQ-JCUDBWTNSA-N -1 0 657.660 7.385 1 0 in-vitro KKAFRM CCCC1(CCc2ccccc2)OC(=O)C([C@H](CC)c2cccc([N-]S(=O)(=O)c3ccccn3)c2)C(=O)O1 ZINC000100032255 562806214 /nfs/dbraw/zinc/80/62/14/562806214.db2.gz XBRRPGJDAAOTLK-FUFSCUOVSA-N -1 0 536.650 5.848 1 0 KKAFRM O=C1O[C@@](c2cc(I)c([O-])c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 ZINC000150571734 562845122 /nfs/dbraw/zinc/84/51/22/562845122.db2.gz FSEVMRBUPGTANR-HXUWFJFHSA-N -1 0 821.912 5.979 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n([C@H]2CC[C@@H](Oc3ccc(O)cc3)CC2)c2ncnn21 ZINC000100638671 562807224 /nfs/dbraw/zinc/80/72/24/562807224.db2.gz NVRHBOWNVVBUBJ-YOCNBXQISA-N -1 0 618.694 5.713 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@H](c1cccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 ZINC000100764453 562807722 /nfs/dbraw/zinc/80/77/22/562807722.db2.gz BVTSKKVADLFLSG-PMERELPUSA-N -1 0 619.761 6.131 1 0 KKAFRM CCOc1ccc2c(O)c(Cc3ccccc3)c(=O)n(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1 ZINC000100777031 562807871 /nfs/dbraw/zinc/80/78/71/562807871.db2.gz MVYPXIGDQNICKK-UHFFFAOYSA-N -1 0 505.570 6.110 1 0 KKAFRM O=C(CCCCCCCCCCOc1ccc(-c2ccccc2)cc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-] ZINC000101068107 562808975 /nfs/dbraw/zinc/80/89/75/562808975.db2.gz HSRXHIBZBUTLII-RBJSKKJNSA-N -1 0 512.599 5.400 1 0 KKAFRM COc1ccc([C@H](c2oc3c(c2[O-])c(OC)cc(OC)c3Cl)c2ccc(C(C)C)cc(=O)c2O)cc1 ZINC000101169913 562809611 /nfs/dbraw/zinc/80/96/11/562809611.db2.gz OSJRZMYTBINECU-DWACAAAGSA-N -1 0 510.970 5.331 1 0 KKAFRM Cn1c(=O)c([C@@H](c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c2cccc(Br)c2)c([O-])c2ccccc21 ZINC000101425606 562810664 /nfs/dbraw/zinc/81/06/64/562810664.db2.gz JOUBULJINPWKBS-HKBQPEDESA-N -1 0 621.531 6.997 1 0 KKAFRM O=c1c2c(oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000101489580 562811007 /nfs/dbraw/zinc/81/10/07/562811007.db2.gz NAVUENWUQYYRDV-XMMPIXPASA-N -1 0 548.488 6.654 1 0 KKAFRM COc1c(NC(=O)[C@H]2CC[C@@H](COc3ccccc3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000103029667 562814078 /nfs/dbraw/zinc/81/40/78/562814078.db2.gz VPSXNGQDJWCZIZ-QAQDUYKDSA-N -1 0 508.546 5.006 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NC(=O)[C@H]3CC[C@H](COc4cccc(F)c4F)CC3)c(F)c21 ZINC000103032277 562814119 /nfs/dbraw/zinc/81/41/19/562814119.db2.gz BYTGLIHTYUSYCA-OKILXGFUSA-N -1 0 520.479 5.100 1 0 KKAFRM Cc1[nH][nH]c(=O)c1[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000103163065 562814586 /nfs/dbraw/zinc/81/45/86/562814586.db2.gz MARQXRRFXWDEPF-POURPWNDSA-N -1 0 529.043 7.890 1 0 KKAFRM Cc1[nH][nH]c(=O)c1[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000103163062 562814588 /nfs/dbraw/zinc/81/45/88/562814588.db2.gz MARQXRRFXWDEPF-BHBYDHKZSA-N -1 0 529.043 7.890 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@](O)(C(=O)[O-])c2ccccc2C(=O)c2ccccc2)cc1 ZINC000103178219 562815139 /nfs/dbraw/zinc/81/51/39/562815139.db2.gz WKVNRENFQUQKDH-UMSFTDKQSA-N -1 0 547.607 6.017 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(Oc4ccccc4)cc3)CCC2=O)cc1)NCc1ccccc1 ZINC000103206748 562816442 /nfs/dbraw/zinc/81/64/42/562816442.db2.gz HIWRTEHPNLPTLL-UHFFFAOYSA-N -1 0 554.628 5.198 1 0 KKAFRM Cc1cc([C@@H]2C[C@H]2[C@H](OCCC2CCCCC2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)[O-] ZINC000103229921 562818060 /nfs/dbraw/zinc/81/80/60/562818060.db2.gz LJNKNSLLALFXBC-ZRRKCSAHSA-N -1 0 548.642 8.276 1 0 KKAFRM NC(=O)c1c(F)ccc(O[C@H](CCC(=O)[O-])c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232929 562818417 /nfs/dbraw/zinc/81/84/17/562818417.db2.gz GGVKZTBCWNMNNP-CYBMUJFWSA-N -1 0 549.246 5.485 1 0 KKAFRM COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)[O-])c2cc(-c3cccc(C(F)(F)F)c3)ccc2n1 ZINC000103233056 562818419 /nfs/dbraw/zinc/81/84/19/562818419.db2.gz DLJWCYCMLMVSML-FQEVSTJZSA-N -1 0 524.495 5.312 1 0 KKAFRM NC(=O)c1c(F)ccc(O[C@@H](COC(=O)CCC(=O)[O-])c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232965 562818422 /nfs/dbraw/zinc/81/84/22/562818422.db2.gz FSSLLIFZXMIBFI-AWEZNQCLSA-N -1 0 607.282 5.028 1 0 KKAFRM Cc1c(Cc2ccccc2S(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)nn1CC(=O)[O-] ZINC000103237951 562819107 /nfs/dbraw/zinc/81/91/07/562819107.db2.gz GBJMVCAGYANBET-UHFFFAOYSA-N -1 0 514.525 5.386 1 0 KKAFRM Cc1ccc(-c2ccc(C(=O)[O-])c(NS(=O)(=O)c3ccc(N4CCOCC4)cc3)c2)c2ccccc12 ZINC000103239664 562819352 /nfs/dbraw/zinc/81/93/52/562819352.db2.gz BXLDIMLVFHDOBN-UHFFFAOYSA-N -1 0 502.592 5.151 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)N2CCC2)C2CC2)C1=O ZINC000103243833 562819681 /nfs/dbraw/zinc/81/96/81/562819681.db2.gz SXSRMKULCNELMF-YWCVFVGNSA-N -1 0 579.546 5.346 1 0 KKAFRM CN(C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)S(=O)(=O)C1CC1 ZINC000103243824 562819684 /nfs/dbraw/zinc/81/96/84/562819684.db2.gz GNBHDBPUJCJXQG-GCMXZSHTSA-N -1 0 593.573 5.734 1 0 KKAFRM CC(C)[C@@H](CS(C)(=O)=O)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000103248031 562819999 /nfs/dbraw/zinc/81/99/99/562819999.db2.gz OVWIUVUGTIFJJB-HLMLHLEXSA-N -1 0 540.509 5.601 1 0 KKAFRM COc1ccc(-c2nc3c(ncc(-c4csc(C(=O)[O-])c4)c3OCCCNC(=O)C3CCCC3)[nH]2)cc1 ZINC000103248066 562820063 /nfs/dbraw/zinc/82/00/63/562820063.db2.gz DGFPVDWEMXBLRG-UHFFFAOYSA-N -1 0 520.611 5.136 1 0 KKAFRM CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(-c3ccc4c(c3)CCCC4)cs2)n1)C(=O)[O-] ZINC000103250169 562820190 /nfs/dbraw/zinc/82/01/90/562820190.db2.gz VHDYUNNUMXSWAO-FQEVSTJZSA-N -1 0 517.120 7.392 1 0 KKAFRM CCCc1nn2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000103263767 562821785 /nfs/dbraw/zinc/82/17/85/562821785.db2.gz SXSCBQOACQHSSW-PMERELPUSA-N -1 0 531.656 7.124 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2n1C ZINC000103263754 562821793 /nfs/dbraw/zinc/82/17/93/562821793.db2.gz KEDCDYJNIWOZOY-JGCGQSQUSA-N -1 0 544.695 7.968 1 0 KKAFRM COCCOCOc1ccc(-c2ncc(-c3ccc(C(=O)[O-])cc3)s2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000103265865 562822134 /nfs/dbraw/zinc/82/21/34/562822134.db2.gz JTLFYCPEOALNOG-UHFFFAOYSA-N -1 0 519.663 6.642 1 0 KKAFRM Cc1cc2c(cc1C(=O)N[C@H](C)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000103268712 562822688 /nfs/dbraw/zinc/82/26/88/562822688.db2.gz SWUBPZUKAZVKEX-XEDBTPMOSA-N -1 0 540.620 5.965 1 0 KKAFRM O=S(=O)([N-]c1nccs1)c1ccc(NCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103273232 562823122 /nfs/dbraw/zinc/82/31/22/562823122.db2.gz JOMUSSLDRWWFCZ-HHHXNRCGSA-N -1 0 568.168 5.416 1 0 KKAFRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NCCN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000103277719 562823298 /nfs/dbraw/zinc/82/32/98/562823298.db2.gz CGYZOJKMNXPMCK-SSEXGKCCSA-N -1 0 591.181 5.367 1 0 KKAFRM COc1ccc(N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc([C@H](CC(=O)[O-])CC(=O)c3ccccc3)cc2)cc1 ZINC000103285758 562823773 /nfs/dbraw/zinc/82/37/73/562823773.db2.gz LONYOWAUJUCVTQ-SANMLTNESA-N -1 0 551.595 6.102 1 0 KKAFRM CC1(C)CC[C@]2(CC(=O)N[C@H](Cc3cccc(Cl)c3)C(=O)[O-])CC[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 ZINC000103294900 562824463 /nfs/dbraw/zinc/82/44/63/562824463.db2.gz LTRYLUWOOZHGTA-MQMCOEHGSA-N -1 0 652.360 9.005 1 0 KKAFRM CCOc1ccc([N-]C(=S)Sc2nc(Nc3cccc(C)c3)nc(Nc3cccc(C)c3)n2)cc1 ZINC000103295138 562824482 /nfs/dbraw/zinc/82/44/82/562824482.db2.gz QIHXGLLPDFVIRI-UHFFFAOYSA-N -1 0 502.669 6.863 1 0 KKAFRM O=C(c1ccc(Oc2ccccc2)cc1)N(Cc1ccc(C2CCCCC2)cc1)c1cccc(C[P@](=O)([O-])O)c1 ZINC000103300748 562824966 /nfs/dbraw/zinc/82/49/66/562824966.db2.gz HQOQWRRFIWBDDO-UHFFFAOYSA-N -1 0 555.611 8.051 1 0 KKAFRM CC(C)(c1ccc(CN(c2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(F)(F)F ZINC000113164960 562826303 /nfs/dbraw/zinc/82/63/03/562826303.db2.gz GVGWRROBXZESQK-UHFFFAOYSA-N -1 0 580.934 6.687 1 0 KKAFRM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1-c1ccc(NCCN2CCOCC2)nc1)C1CC1 ZINC000114033452 562826901 /nfs/dbraw/zinc/82/69/01/562826901.db2.gz DWEHVCDVPWYUDL-UHFFFAOYSA-N -1 0 563.485 6.313 1 0 KKAFRM Cc1c2ccccc2sc1N(Cc1ccc(C(F)(F)F)c(F)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000115232454 562828775 /nfs/dbraw/zinc/82/87/75/562828775.db2.gz MRMGLSYPKLTVCT-UHFFFAOYSA-N -1 0 523.529 6.461 1 0 KKAFRM CC(C)n1nc(C(=O)[O-])cc1[C@@H]1C[C@H]1c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)cc1Cl ZINC000115372029 562828832 /nfs/dbraw/zinc/82/88/32/562828832.db2.gz OVLGBZJMJCQCMG-RBUKOAKNSA-N -1 0 586.903 8.505 1 0 KKAFRM O=C([O-])c1cccc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)c1 ZINC000115371134 562828846 /nfs/dbraw/zinc/82/88/46/562828846.db2.gz HWOXGSYLOCRIMO-NHCUHLMSSA-N -1 0 554.857 8.728 1 0 KKAFRM COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000116235674 562829298 /nfs/dbraw/zinc/82/92/98/562829298.db2.gz DPRMGXHTXMUSQL-QHCPKHFHSA-N -1 0 589.580 5.097 1 0 KKAFRM Cc1sc(C)c(C(=O)N[C@@H](C)c2ccc(C(=O)[N-]S(C)(=O)=O)cc2)c1Cc1ccc(C(F)(F)F)cc1 ZINC000118703990 562830489 /nfs/dbraw/zinc/83/04/89/562830489.db2.gz LRAMPOFRCGKEAQ-AWEZNQCLSA-N -1 0 538.613 5.155 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000136415488 562831175 /nfs/dbraw/zinc/83/11/75/562831175.db2.gz QQMQVXITOSHINV-HKBQPEDESA-N -1 0 529.995 6.006 1 0 KKAFRM CN(Cc1ccc(-c2nccnc2[N-]S(=O)(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1F ZINC000137238394 562831384 /nfs/dbraw/zinc/83/13/84/562831384.db2.gz KYAYPIPAYGFMQF-UHFFFAOYSA-N -1 0 500.958 5.512 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(Cn2c(-c3ccccn3)cc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000137226210 562831385 /nfs/dbraw/zinc/83/13/85/562831385.db2.gz LHDGNNKVCYWAGN-UHFFFAOYSA-N -1 0 585.611 7.028 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1)c1ccccc1C(F)(F)F ZINC000137238677 562831395 /nfs/dbraw/zinc/83/13/95/562831395.db2.gz RDCBRAVRIZBSMK-UHFFFAOYSA-N -1 0 575.616 6.565 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3nccs3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000137690858 562831503 /nfs/dbraw/zinc/83/15/03/562831503.db2.gz BILZQVPFNQRLKR-SDNWHVSQSA-N -1 0 612.752 6.747 1 0 KKAFRM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3-c3ccccc3)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619082 562831515 /nfs/dbraw/zinc/83/15/15/562831515.db2.gz BLJDQTUQBFVYHN-WNJJXGMVSA-N -1 0 562.603 5.890 1 0 KKAFRM COc1ccc(CCCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(NC(=O)COCc3ccccc3)c2)c1 ZINC000138527678 562831999 /nfs/dbraw/zinc/83/19/99/562831999.db2.gz OCDNKOUTHDHXKA-UHFFFAOYSA-N -1 0 627.723 5.263 1 0 KKAFRM CC[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(-c3ccc(OCC(C)(C)C(=O)[O-])nc3)cc2O1 ZINC000139390013 562832421 /nfs/dbraw/zinc/83/24/21/562832421.db2.gz ARVPCQBTINRJQD-LJQANCHMSA-N -1 0 527.980 6.240 1 0 KKAFRM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1cccc2c1ccn2-c1ccccc1C(=O)[O-] ZINC000139483249 562832519 /nfs/dbraw/zinc/83/25/19/562832519.db2.gz PBHMJPZSCIQHIX-UHFFFAOYSA-N -1 0 553.666 7.541 1 0 KKAFRM CCCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1cccc2c1ccn2-c1ccccc1C(=O)[O-] ZINC000139483383 562832526 /nfs/dbraw/zinc/83/25/26/562832526.db2.gz CCMDVBAGJWVAMD-UHFFFAOYSA-N -1 0 567.693 7.931 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C4CC4)c3)cc2[C@@H](OC)C(C)(C)C)c1 ZINC000140805110 562833362 /nfs/dbraw/zinc/83/33/62/562833362.db2.gz HZGXBBBTYFNUML-SUYBVONHSA-N -1 0 520.641 7.782 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3cccc([C@@H](CC(=O)[O-])C4CC4)c3)cc2[C@@H]2OCCCC2(C)C)c1 ZINC000141177544 562833501 /nfs/dbraw/zinc/83/35/01/562833501.db2.gz ZWXPILSVQZXXPN-UCGGBYDDSA-N -1 0 532.652 7.926 1 0 KKAFRM Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000141822396 562833759 /nfs/dbraw/zinc/83/37/59/562833759.db2.gz WMPRXXJICGIFFH-LJAQVGFWSA-N -1 0 514.651 6.220 1 0 KKAFRM CC1(C)C[C@@](O)(c2ncc(-c3cc(Cl)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC[C@@H]1C(=O)[O-] ZINC000141739705 562833780 /nfs/dbraw/zinc/83/37/80/562833780.db2.gz UQXUTZCZUQCMIH-IVZQSRNASA-N -1 0 526.968 6.114 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000141902679 562833814 /nfs/dbraw/zinc/83/38/14/562833814.db2.gz QFYBIVGGJCSWBY-VWLOTQADSA-N -1 0 560.985 6.595 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])c(F)cc43)s2)c1 ZINC000141997195 562833885 /nfs/dbraw/zinc/83/38/85/562833885.db2.gz PNKAWGMVXIAEAY-RUZDIDTESA-N -1 0 544.530 6.080 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCc4ccc(C(=O)[O-])cc43)s2)c1 ZINC000142022363 562833899 /nfs/dbraw/zinc/83/38/99/562833899.db2.gz ZMSHGABGMAFUCJ-DEOSSOPVSA-N -1 0 512.513 5.551 1 0 KKAFRM O=C([O-])C=Cc1ccc(C(=C(c2ncc(Cl)cc2Cl)C2CCC2)c2ccc3[nH]nc(F)c3c2)cc1 ZINC000146211423 562838321 /nfs/dbraw/zinc/83/83/21/562838321.db2.gz ZBFKUDIAKIJHEM-GHVQTSFPSA-N -1 0 508.380 7.261 1 0 KKAFRM CS(=O)(=O)c1ccc(/C(=C(\c2ccc(C=CC(=O)[O-])cc2)c2ccc3[nH]nc(F)c3c2)C2CCC2)c(Cl)c1 ZINC000146338633 562838418 /nfs/dbraw/zinc/83/84/18/562838418.db2.gz LEMSPXALIUQFMH-IELKENRMSA-N -1 0 551.039 6.616 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1 ZINC000146522334 562838666 /nfs/dbraw/zinc/83/86/66/562838666.db2.gz LGQRYHJFERLFNG-HHHXNRCGSA-N -1 0 543.982 6.027 1 0 KKAFRM COc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nnn[n-]4)cc3)C2=O)c1 ZINC000146703241 562838761 /nfs/dbraw/zinc/83/87/61/562838761.db2.gz QWLFOKHFURUCSA-ZLMSPKLFSA-N -1 0 613.807 6.270 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147315990 562839239 /nfs/dbraw/zinc/83/92/39/562839239.db2.gz BNIWMFUACZLOPT-KLJXIMFWSA-N -1 0 572.533 6.523 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cccc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147324320 562839276 /nfs/dbraw/zinc/83/92/76/562839276.db2.gz LAYAAHDGXMINNI-FVXHTOHKSA-N -1 0 538.088 5.870 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cccc(Cl)c2F)=NC12CCC(C(C)(C)C)CC2 ZINC000147334252 562839280 /nfs/dbraw/zinc/83/92/80/562839280.db2.gz OVQFWCPPWPQJRZ-CGGVQBNUSA-N -1 0 556.078 6.009 1 0 KKAFRM CCn1c(CCCc2ccc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cn3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000147533084 562839429 /nfs/dbraw/zinc/83/94/29/562839429.db2.gz IRSFLNXJVJKMDT-UHFFFAOYSA-N -1 0 609.796 6.449 1 0 KKAFRM CCn1c(CCCc2ccc(-c3cnc([N-]S(=O)(=O)c4ccccc4)cn3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000147717003 562839508 /nfs/dbraw/zinc/83/95/08/562839508.db2.gz NJMGWTOEIOWPNY-UHFFFAOYSA-N -1 0 610.784 5.844 1 0 KKAFRM CCOc1ncccc1-c1cc(C(=O)[N-]S(C)(=O)=O)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000147950862 562839813 /nfs/dbraw/zinc/83/98/13/562839813.db2.gz CIRXRTDNXVEJOX-UHFFFAOYSA-N -1 0 514.909 5.301 1 0 KKAFRM CC(C)(C)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)[O-])nc3)cc2Cl)cc1 ZINC000148027229 562839891 /nfs/dbraw/zinc/83/98/91/562839891.db2.gz TUCDJGBCMZNKNF-UHFFFAOYSA-N -1 0 576.524 7.837 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cn1 ZINC000148099700 562840228 /nfs/dbraw/zinc/84/02/28/562840228.db2.gz STUDEUUMPSTVSV-UHFFFAOYSA-N -1 0 553.968 6.904 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)cn1 ZINC000148222103 562840584 /nfs/dbraw/zinc/84/05/84/562840584.db2.gz ALOLWBWINFNBFM-UHFFFAOYSA-N -1 0 571.958 7.044 1 0 KKAFRM Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)[O-])nc2)c1 ZINC000148251136 562840729 /nfs/dbraw/zinc/84/07/29/562840729.db2.gz SUJLRXWMZDHZKT-UHFFFAOYSA-N -1 0 513.981 5.834 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3F)c(Cl)c2)cn1 ZINC000148532455 562841456 /nfs/dbraw/zinc/84/14/56/562841456.db2.gz DFZGJOVXXGZCRH-UHFFFAOYSA-N -1 0 556.396 6.817 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)c(F)c2)cn1 ZINC000148731089 562841659 /nfs/dbraw/zinc/84/16/59/562841659.db2.gz ZVHMMRDHGGPOOF-UHFFFAOYSA-N -1 0 521.951 6.164 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2F)cn1 ZINC000149161972 562842317 /nfs/dbraw/zinc/84/23/17/562842317.db2.gz FELHBDDFRMCMNY-UHFFFAOYSA-N -1 0 572.851 7.332 1 0 KKAFRM O=C1O[C@](c2cc(I)c([O-])c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 ZINC000150571738 562845115 /nfs/dbraw/zinc/84/51/15/562845115.db2.gz FSEVMRBUPGTANR-FQEVSTJZSA-N -1 0 821.912 5.979 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)CCC(=O)[O-])[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000150596354 562846700 /nfs/dbraw/zinc/84/67/00/562846700.db2.gz SCGXOHGFSYJCLH-GNKHBCFJSA-N -1 0 662.908 8.279 1 0 KKAFRM Cc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1[C@@H](C(=O)Nc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000150597151 562846784 /nfs/dbraw/zinc/84/67/84/562846784.db2.gz BGYVGBMNZKLZHM-XMMPIXPASA-N -1 0 719.142 5.491 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597415 562846791 /nfs/dbraw/zinc/84/67/91/562846791.db2.gz ROBNQUYODGTYEN-UHFFFAOYSA-N -1 0 719.142 5.184 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598404 562846822 /nfs/dbraw/zinc/84/68/22/562846822.db2.gz KOESFBTYPLWGFO-DWEWYUIOSA-N -1 0 682.843 5.118 1 0 KKAFRM COc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1[N-]S(C)(=O)=O ZINC000150603142 562847399 /nfs/dbraw/zinc/84/73/99/562847399.db2.gz GYGRWOSNDXPNMP-DEOSSOPVSA-N -1 0 647.480 5.538 1 0 KKAFRM Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(OC[P@@](=O)([O-])O)cc2)N(CCc2c[nH]c3ccccc23)C(=O)c2cc(Br)cc(Br)c2[O-])cc1 ZINC000150603627 562847479 /nfs/dbraw/zinc/84/74/79/562847479.db2.gz MCOWYUIJBDATBV-WJOKGBTCSA-N -1 0 849.491 6.195 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5CCCCCCCCS(=O)(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150605802 562847791 /nfs/dbraw/zinc/84/77/91/562847791.db2.gz CKDNBLSYJJBESY-HPUWZBBOSA-N -1 0 788.027 5.178 1 0 KKAFRM CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c2cccc3S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(F)(F)F)cc1OC(C)=O ZINC000150613111 562848684 /nfs/dbraw/zinc/84/86/84/562848684.db2.gz GVTZBUOSOXEDLX-MHWRWJLKSA-N -1 0 744.644 6.351 1 0 KKAFRM 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](OC(=O)C(C)(C)C)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150628325 562848954 /nfs/dbraw/zinc/84/89/54/562848954.db2.gz KXDWTPLJCLUFDS-OOJIBYAPSA-N -1 0 850.073 6.109 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nnn[n-]2)cc1 ZINC000163176171 562849341 /nfs/dbraw/zinc/84/93/41/562849341.db2.gz OSOQQVRPRYQREM-RAHWXXEKSA-N -1 0 664.560 7.084 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(C)=O)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165416944 562850240 /nfs/dbraw/zinc/85/02/40/562850240.db2.gz XWTMZXYBELIRIB-BRXSWJRSSA-N -1 0 712.913 5.791 1 0 KKAFRM CCC1(S(=O)(=O)[N-]C(=O)[C@@]23C[C@H]2/C=C\CCCCN(C)C(=O)N[C@@H](CCOc2cc(-c4nc(C(C)C)cs4)nc4c(Cl)c(OC)ccc24)C(=O)N3)CC1 ZINC000165943595 562850291 /nfs/dbraw/zinc/85/02/91/562850291.db2.gz SRPLBAXIPJXNHH-ICMNSXLQSA-N -1 0 787.405 5.926 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nc2cc(C=Cc3ccccc3)ccc2[nH]1 ZINC000168996756 562851604 /nfs/dbraw/zinc/85/16/04/562851604.db2.gz QIJPKHCBKMSLCO-DHFJEHPKSA-N -1 0 517.585 5.738 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4ccco4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308628 562854150 /nfs/dbraw/zinc/85/41/50/562854150.db2.gz GAIJGFGAVFBMCH-PMERELPUSA-N -1 0 679.675 5.902 1 0 KKAFRM CC(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308626 562854153 /nfs/dbraw/zinc/85/41/53/562854153.db2.gz FSBBONLOFWXAIX-DHUJRADRSA-N -1 0 731.795 7.433 1 0 KKAFRM COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308624 562854170 /nfs/dbraw/zinc/85/41/70/562854170.db2.gz DRUXFXDHTCHCCH-XIFFEERXSA-N -1 0 779.792 6.335 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4nnnn4C4CCCCC4)c4cccc5ccccc54)CC3)c(F)cc2c1=O ZINC000169308634 562854184 /nfs/dbraw/zinc/85/41/84/562854184.db2.gz HHARYIPSJIFIRO-BHVANESWSA-N -1 0 739.774 7.462 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N2CC[C@H](C(=O)[O-])C2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309629 562854368 /nfs/dbraw/zinc/85/43/68/562854368.db2.gz VZZITKBMNYFVPR-RHWDBWQKSA-N -1 0 677.691 6.372 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N2CC[C@@H](C(=O)[O-])C2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309628 562854383 /nfs/dbraw/zinc/85/43/83/562854383.db2.gz VZZITKBMNYFVPR-OQZRLNFTSA-N -1 0 677.691 6.372 1 0 KKAFRM C[C@@H](NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=NC23CCC(C(C)(C)C)CC3)cc1)c1nnn[n-]1 ZINC000169313233 562855587 /nfs/dbraw/zinc/85/55/87/562855587.db2.gz SSFDSCROUPZZIQ-FSXKZGGMSA-N -1 0 666.698 8.129 1 0 KKAFRM CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@@H]2/C=C/[C@@H]2O[C@H](CC(=O)[O-])C[C@H](OC(C)=O)[C@H]2OC(C)=O)CC=C1C ZINC000169315012 562855746 /nfs/dbraw/zinc/85/57/46/562855746.db2.gz ZSXAMAHMSVCLEM-IMYUWEKBSA-N -1 0 558.712 5.573 1 0 KKAFRM CCCC(=O)O[C@H]1[C@H](/C=C/[C@H]2[C@H](C)[C@@H]2/C=C/[C@@H](C)/C=C(\C)[C@H]2CC=C(C)[C@@H](CC)O2)O[C@H](CC(=O)[O-])C[C@@H]1OC(=O)CCC ZINC000169315014 562855763 /nfs/dbraw/zinc/85/57/63/562855763.db2.gz PAEFIPPGTVOUCE-HFFLUXSMSA-N -1 0 614.820 7.133 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(CCC(=O)OCc3ccccc3)c2)cc1 ZINC000169329508 562858551 /nfs/dbraw/zinc/85/85/51/562858551.db2.gz FVJXPPCGIRSYCR-UHFFFAOYSA-N -1 0 609.679 6.268 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000169341346 562860843 /nfs/dbraw/zinc/86/08/43/562860843.db2.gz PKGPBZMPDJXZJX-UHFFFAOYSA-N -1 0 528.453 5.934 1 0 KKAFRM COc1ccccc1-c1cc(C(=O)NC2(C(=O)[O-])CCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000169352860 562863291 /nfs/dbraw/zinc/86/32/91/562863291.db2.gz RNPSMLNYFCSENY-UHFFFAOYSA-N -1 0 504.974 5.267 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C ZINC000169700302 562867671 /nfs/dbraw/zinc/86/76/71/562867671.db2.gz ULBVGRPAXZLTPG-OAQYLSRUSA-N -1 0 518.441 5.497 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000169702696 562868511 /nfs/dbraw/zinc/86/85/11/562868511.db2.gz UEVAHUUXWZTODT-UHFFFAOYSA-N -1 0 656.410 8.577 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 ZINC000169702708 562868570 /nfs/dbraw/zinc/86/85/70/562868570.db2.gz HXAACLXFWAKYKS-UHFFFAOYSA-N -1 0 624.393 7.836 1 0 KKAFRM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1Br ZINC000169704391 562868911 /nfs/dbraw/zinc/86/89/11/562868911.db2.gz NKZVAYATLJGLCB-RUZDIDTESA-N -1 0 605.436 6.704 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCC[C@]3(O)c2ncc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)s2)cc1 ZINC000169704405 562868963 /nfs/dbraw/zinc/86/89/63/562868963.db2.gz GDGOCEQHFUUBSU-JGCGQSQUSA-N -1 0 679.746 6.670 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1ccc2c(c1)c([C@](O)(C(=O)[O-])C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095555 562871475 /nfs/dbraw/zinc/87/14/75/562871475.db2.gz SNCCLXGFWUSVQM-NDEPHWFRSA-N -1 0 641.184 7.495 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12 ZINC000199336063 562872960 /nfs/dbraw/zinc/87/29/60/562872960.db2.gz NMFGWJBEPAMYHB-DEOSSOPVSA-N -1 0 558.722 8.460 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2s1 ZINC000202310637 562873625 /nfs/dbraw/zinc/87/36/25/562873625.db2.gz KMRNYXKFLPEAAB-MHZLTWQESA-N -1 0 542.056 7.226 1 0 KKAFRM Nc1c2ccc(-c3ccc(Cl)cc3)cc2oc1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202310690 562873632 /nfs/dbraw/zinc/87/36/32/562873632.db2.gz CYCXTGQBUNAAGV-SANMLTNESA-N -1 0 541.003 6.340 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202311329 562873645 /nfs/dbraw/zinc/87/36/45/562873645.db2.gz NDALCSGTOZRLQG-SANMLTNESA-N -1 0 543.982 5.799 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccccc3F)ccc2n1 ZINC000202314284 562873652 /nfs/dbraw/zinc/87/36/52/562873652.db2.gz JPQFDICCRMPXMK-SANMLTNESA-N -1 0 509.537 5.145 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC000202314350 562873653 /nfs/dbraw/zinc/87/36/53/562873653.db2.gz OECPSUKWTQOLCZ-VKUFTZFMSA-N -1 0 512.005 6.411 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccccc3F)ccc2n1 ZINC000202314313 562873662 /nfs/dbraw/zinc/87/36/62/562873662.db2.gz JPQFDICCRMPXMK-AREMUKBSSA-N -1 0 509.537 5.145 1 0 KKAFRM Nc1c2cc(-c3ccc(Cl)cc3)ccc2oc1C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000202318379 562873665 /nfs/dbraw/zinc/87/36/65/562873665.db2.gz OVKUONYLCDJZGD-AREMUKBSSA-N -1 0 541.003 6.340 1 0 KKAFRM Cc1c(-c2ccc(Cl)cc2)ccc2nc(C(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)[O-])cn21 ZINC000202314221 562873678 /nfs/dbraw/zinc/87/36/78/562873678.db2.gz TWJXKJMNJVEDAJ-MHZLTWQESA-N -1 0 540.019 5.968 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2ccc(-c3ccccc3Cl)cc2C1 ZINC000202319525 562873702 /nfs/dbraw/zinc/87/37/02/562873702.db2.gz HSWVRFKIKHFHLW-HKBQPEDESA-N -1 0 529.995 6.006 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2c(cccc2-c2ccc(Cl)cc2)n1 ZINC000202322240 562873743 /nfs/dbraw/zinc/87/37/43/562873743.db2.gz QNNXOTYDHGSEEP-VWLOTQADSA-N -1 0 525.992 5.659 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)C3CC3)c(F)c2)c2ncc3ccccc3c2C(F)(F)F)cc1 ZINC000203670406 562874045 /nfs/dbraw/zinc/87/40/45/562874045.db2.gz VISXOMCJLWRFBN-UHFFFAOYSA-N -1 0 594.533 6.988 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(c1)OC(C)(C)C2)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204320976 562874419 /nfs/dbraw/zinc/87/44/19/562874419.db2.gz MGHGBSMNDRZPSS-UHFFFAOYSA-N -1 0 502.592 5.350 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(OC(F)(F)F)ccc1Cl ZINC000204964794 562874671 /nfs/dbraw/zinc/87/46/71/562874671.db2.gz XBXFWKUTBSENAG-UHFFFAOYSA-N -1 0 544.765 8.701 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCCc2cccnc2)cc1 ZINC000205061853 562874935 /nfs/dbraw/zinc/87/49/35/562874935.db2.gz HJKQGCUYLGRYHK-UHFFFAOYSA-N -1 0 574.489 7.517 1 0 KKAFRM Cc1cc(-c2ncc(C(F)(F)F)cn2)ccc1[C@H](CCC(F)(F)F)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000205350168 562875204 /nfs/dbraw/zinc/87/52/04/562875204.db2.gz HYBIWCXMSAEBQK-YKSBVNFPSA-N -1 0 594.556 6.903 1 0 KKAFRM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2c(C)c(CC(=O)[O-])cc3ccc(Cl)cc32)cc1 ZINC000205725386 562875838 /nfs/dbraw/zinc/87/58/38/562875838.db2.gz QZUAMLZKQXLVCL-UHFFFAOYSA-N -1 0 514.430 6.858 1 0 KKAFRM COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000205965921 562876001 /nfs/dbraw/zinc/87/60/01/562876001.db2.gz PXHJADNZRQSFDW-UHFFFAOYSA-N -1 0 518.613 6.610 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc12 ZINC000205972532 562876013 /nfs/dbraw/zinc/87/60/13/562876013.db2.gz XCYTZHNEBZAPSP-UHFFFAOYSA-N -1 0 532.596 6.330 1 0 KKAFRM CCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1 ZINC000205978219 562876031 /nfs/dbraw/zinc/87/60/31/562876031.db2.gz GHJHEYQCYJVFJN-YTTGMZPUSA-N -1 0 530.668 7.943 1 0 KKAFRM COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1OC ZINC000205976423 562876039 /nfs/dbraw/zinc/87/60/39/562876039.db2.gz DCVFFTXZUQINPM-UHFFFAOYSA-N -1 0 548.639 6.619 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc12 ZINC000205975818 562876047 /nfs/dbraw/zinc/87/60/47/562876047.db2.gz PYBJKDNEDKTUES-UHFFFAOYSA-N -1 0 556.584 7.620 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3cccc4ccccc43)cc12 ZINC000205982712 562876060 /nfs/dbraw/zinc/87/60/60/562876060.db2.gz KSKLBIYBQQLBTF-XMMPIXPASA-N -1 0 552.674 8.316 1 0 KKAFRM Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000205989875 562876101 /nfs/dbraw/zinc/87/61/01/562876101.db2.gz NPMSSJHJPGMEJW-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM Cc1c(C)n([C@H](C)c2cccc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000205992662 562876127 /nfs/dbraw/zinc/87/61/27/562876127.db2.gz LVDWBOOOLXZMRO-WWNPGLIZSA-N -1 0 524.661 7.088 1 0 KKAFRM Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)[O-])c(Cl)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206008910 562876151 /nfs/dbraw/zinc/87/61/51/562876151.db2.gz ZPNITCQUPYTZQP-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM Cc1c(C)n(Cc2cc(Cl)cc(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206003340 562876156 /nfs/dbraw/zinc/87/61/56/562876156.db2.gz COGQHWZDAOHUIS-FPOVZHCZSA-N -1 0 545.079 7.180 1 0 KKAFRM Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3ncns3)ccc21 ZINC000206110468 562876311 /nfs/dbraw/zinc/87/63/11/562876311.db2.gz NEGWWOJFNIDTET-UHFFFAOYSA-N -1 0 515.542 5.578 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000210530465 562877028 /nfs/dbraw/zinc/87/70/28/562877028.db2.gz WFQFQAQNCYHBTC-JDXGNMNLSA-N -1 0 578.690 5.582 1 0 KKAFRM CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000213420685 562877207 /nfs/dbraw/zinc/87/72/07/562877207.db2.gz IHPHOLWJEHZAOF-IRPSRAIASA-N -1 0 528.693 5.711 1 0 KKAFRM COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccnc(C)n3)ccc21 ZINC000215514551 562877437 /nfs/dbraw/zinc/87/74/37/562877437.db2.gz WUENHYGUAXJLQG-UHFFFAOYSA-N -1 0 518.545 5.755 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(F)cc2F)[C@@H]1C(=O)[O-] ZINC000217365174 562877560 /nfs/dbraw/zinc/87/75/60/562877560.db2.gz XCPPUBNDEXAFAE-RRPNLBNLSA-N -1 0 513.544 6.314 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000218129554 562877828 /nfs/dbraw/zinc/87/78/28/562877828.db2.gz RPNGLHUBZFJLRE-BJKOFHAPSA-N -1 0 534.454 6.488 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)c(F)c1)C(=O)[O-] ZINC000218262241 562877876 /nfs/dbraw/zinc/87/78/76/562877876.db2.gz IOLFJGHAQFLCOU-UHFFFAOYSA-N -1 0 548.537 5.868 1 0 KKAFRM Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1 ZINC000218220077 562877885 /nfs/dbraw/zinc/87/78/85/562877885.db2.gz VFVJDKGSEZYQQO-YADHBBJMSA-N -1 0 528.531 5.654 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)c(F)c3)c2)CCCC1 ZINC000219248202 562878023 /nfs/dbraw/zinc/87/80/23/562878023.db2.gz YLHOUWBGQFCCTD-UHFFFAOYSA-N -1 0 603.669 8.345 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1F)C(=O)[O-] ZINC000219363597 562878133 /nfs/dbraw/zinc/87/81/33/562878133.db2.gz CKMULLIAXBBAPE-UHFFFAOYSA-N -1 0 562.439 6.767 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc2nonc2c1)C(=O)[O-] ZINC000219414415 562878208 /nfs/dbraw/zinc/87/82/08/562878208.db2.gz MWBIVJKSSLTTAH-UHFFFAOYSA-N -1 0 507.550 5.401 1 0 KKAFRM Cc1nc(-c2ccc(Cn3c(CC4(C(=O)[O-])CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)no1 ZINC000219432568 562878224 /nfs/dbraw/zinc/87/82/24/562878224.db2.gz OLIFRJRIAZQOGB-UHFFFAOYSA-N -1 0 573.653 6.758 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(Cl)cc2)CCCC1 ZINC000219477809 562878254 /nfs/dbraw/zinc/87/82/54/562878254.db2.gz MECKMYHPBDDXBM-UHFFFAOYSA-N -1 0 526.036 7.053 1 0 KKAFRM Cc1ccc(Cn2c3ccc(OCc4ccc5ccccc5n4)cc3nc2[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000220523975 562878565 /nfs/dbraw/zinc/87/85/65/562878565.db2.gz KKKGHZOROANUFU-RRPNLBNLSA-N -1 0 505.618 6.879 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(I)c2)c1 ZINC000220895660 562878672 /nfs/dbraw/zinc/87/86/72/562878672.db2.gz DILTUNPCLHJXTO-UHFFFAOYSA-N -1 0 681.224 5.036 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2cccc(Br)c2)c1 ZINC000221065734 562878723 /nfs/dbraw/zinc/87/87/23/562878723.db2.gz MFDRKHHFPFMGQH-UHFFFAOYSA-N -1 0 634.224 5.193 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000221053723 562878739 /nfs/dbraw/zinc/87/87/39/562878739.db2.gz VYOMVKWURSJYMJ-UHFFFAOYSA-N -1 0 671.451 5.974 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@H]4[C@H](C(=O)[O-])C4(C)C)n3Cc3ccc(Br)cc3)c(F)c2)nc1 ZINC000221568646 562879035 /nfs/dbraw/zinc/87/90/35/562879035.db2.gz PKDHPACNPULKAY-DHIUTWEWSA-N -1 0 538.417 6.093 1 0 KKAFRM CC[C@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@H]1CC(=O)[O-] ZINC000221978225 562879492 /nfs/dbraw/zinc/87/94/92/562879492.db2.gz ODPBHDCZTYQTGE-BVAGGSTKSA-N -1 0 528.546 7.008 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)CC2CCCCC2)cc(C)c1Cl ZINC000222373167 562879831 /nfs/dbraw/zinc/87/98/31/562879831.db2.gz HOKCDCDULXEZBD-UHFFFAOYSA-N -1 0 588.170 5.596 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc([C@@H](C)C(=O)[O-])cc3)c2)CC1 ZINC000224442906 562880472 /nfs/dbraw/zinc/88/04/72/562880472.db2.gz SVAJTWPRBQSGLV-OAQYLSRUSA-N -1 0 550.627 7.003 1 0 KKAFRM O=C(c1cnc2c(S(=O)(=O)[N-]c3nncs3)cnn2c1Nc1cc(Cl)ccc1Cl)N1CCC(c2ccc(F)cc2)CC1 ZINC000224730818 562880529 /nfs/dbraw/zinc/88/05/29/562880529.db2.gz OSXXXLRTSIMZRN-UHFFFAOYSA-N -1 0 647.545 5.591 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc2c(Cl)c[nH]c2c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000224861153 562880565 /nfs/dbraw/zinc/88/05/65/562880565.db2.gz ALGREJNRCWSJMN-UHFFFAOYSA-N -1 0 505.983 5.772 1 0 KKAFRM COc1cc(-c2ccc(F)c(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225088540 562880672 /nfs/dbraw/zinc/88/06/72/562880672.db2.gz DBDWEPROWRWNLV-UHFFFAOYSA-N -1 0 504.518 5.446 1 0 KKAFRM COc1cc(-c2ccc(C)c(F)c2)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225129773 562880794 /nfs/dbraw/zinc/88/07/94/562880794.db2.gz REKZETGHOLPIDB-UHFFFAOYSA-N -1 0 500.555 5.616 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-] ZINC000226020485 562880847 /nfs/dbraw/zinc/88/08/47/562880847.db2.gz PHQAIZVYFLQDHF-UHFFFAOYSA-N -1 0 601.669 8.486 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n3Cc3ccc(Br)cc3)c(Cl)c2)nc1 ZINC000226041761 562880905 /nfs/dbraw/zinc/88/09/05/562880905.db2.gz IEONXVIGZUSKGH-XZOQPEGZSA-N -1 0 554.872 6.607 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccc(F)cc3)cc2)[C@@H]1C(=O)[O-] ZINC000226099312 562880935 /nfs/dbraw/zinc/88/09/35/562880935.db2.gz PLAIFYNILFRQQF-JHOUSYSJSA-N -1 0 571.652 7.842 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)C(=O)[O-] ZINC000226101189 562880960 /nfs/dbraw/zinc/88/09/60/562880960.db2.gz RQWMDMNTZRGNSQ-UHFFFAOYSA-N -1 0 610.636 7.946 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000226109734 562881001 /nfs/dbraw/zinc/88/10/01/562881001.db2.gz QXWBCRRMKGGKJE-UHFFFAOYSA-N -1 0 533.550 6.884 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cc1 ZINC000226119184 562881018 /nfs/dbraw/zinc/88/10/18/562881018.db2.gz JQOCAMRJNDFDPX-UHFFFAOYSA-N -1 0 571.677 7.541 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000253638458 562882448 /nfs/dbraw/zinc/88/24/48/562882448.db2.gz RDDGVDXVIDYSSC-VSKRKVRLSA-N -1 0 589.680 5.390 1 0 KKAFRM O=C([O-])[C@H]1CC[C@H](OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(Nc3nc4cc(F)ccc4o3)c(Cl)c2)CC1 ZINC000253679863 562882805 /nfs/dbraw/zinc/88/28/05/562882805.db2.gz YKYDYGNCMALIAV-LEAZDLGRSA-N -1 0 547.986 5.505 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c5nc(N6CCCC6)sc5c(c([O-])c4c(O)c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299823658 562883011 /nfs/dbraw/zinc/88/30/11/562883011.db2.gz VDCWBKSADLPPOZ-AJMPPYJVSA-N -1 0 807.963 6.258 1 0 KKAFRM CC(C)(C)[C@@H](CS(=O)(=O)N1CCC(F)(F)C1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299823853 562883111 /nfs/dbraw/zinc/88/31/11/562883111.db2.gz BOBIFKIKBCVKCZ-HIJQLYNKSA-N -1 0 645.596 6.617 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000299826503 562883879 /nfs/dbraw/zinc/88/38/79/562883879.db2.gz GUIDCICEDNXJQH-UHFFFAOYSA-N -1 0 667.378 6.110 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2C3CCCC2CCC3)cc1 ZINC000299826539 562883884 /nfs/dbraw/zinc/88/38/84/562883884.db2.gz HTWMBKHFCRGFJX-WHIWCKBPSA-N -1 0 554.731 6.803 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)NC(C)(C)C)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299829127 562884727 /nfs/dbraw/zinc/88/47/27/562884727.db2.gz KONKKPPEUAHNDJ-UAGFAMMCSA-N -1 0 810.938 5.342 1 0 KKAFRM C[C@H]1CCCN1S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C ZINC000299834922 562886637 /nfs/dbraw/zinc/88/66/37/562886637.db2.gz SUDNWKDIBLEIHM-IMRYPDIUSA-N -1 0 623.643 6.760 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000299837646 562887559 /nfs/dbraw/zinc/88/75/59/562887559.db2.gz OXDNAOIYAMCGOA-UHFFFAOYSA-N -1 0 533.042 5.480 1 0 KKAFRM Cc1ccc2c(CC(=O)[O-])cn(-c3ccc(C(F)(F)F)cc3CN(CCOc3ccccc3)C(=O)C3CC3)c2n1 ZINC000299837866 562887671 /nfs/dbraw/zinc/88/76/71/562887671.db2.gz SENFTBLAQBTZNO-UHFFFAOYSA-N -1 0 551.565 5.797 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)N5CCCC5)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299843837 562889065 /nfs/dbraw/zinc/88/90/65/562889065.db2.gz OFFBKACOAWRZCJ-QPJQVYGXSA-N -1 0 808.922 5.050 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299844207 562889189 /nfs/dbraw/zinc/88/91/89/562889189.db2.gz GCEUDIONNAAMRI-ZEUQIJQYSA-N -1 0 801.977 6.233 1 0 KKAFRM CCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(C)C(=O)N2 ZINC000299844317 562889274 /nfs/dbraw/zinc/88/92/74/562889274.db2.gz VFYNXKZVOUXHDX-HPDCYDMVSA-N -1 0 810.938 5.296 1 0 KKAFRM CCN(CC)C(=O)COc1cc2c(O)c3c([O-])c(C)c4c(c13)C(=O)[C@](C)(O4)O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C(C)C(=O)N2 ZINC000299844316 562889292 /nfs/dbraw/zinc/88/92/92/562889292.db2.gz VFYNXKZVOUXHDX-HOCOTEROSA-N -1 0 810.938 5.296 1 0 KKAFRM C[C@]12CC[C@@H]3[C@H]4CCC(O[C@H]5CC[C@H]6[C@@H]7CCc8cc(OC(=O)CCC(=O)[O-])ccc8[C@H]7CC[C@]56C)=CC4=CC[C@H]3[C@@H]1CCC2=O ZINC000299848371 562890238 /nfs/dbraw/zinc/89/02/38/562890238.db2.gz DHJUSTREXYMRIC-AONRWGBZSA-N -1 0 626.834 8.334 1 0 KKAFRM C[C@]12CC[C@@H]3[C@H]4CCC(O[C@H]5CC[C@H]6[C@@H]7CCc8cc(OC9CCCC9)ccc8[C@H]7CC[C@]56C)=CC4=CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)[O-] ZINC000299848689 562890307 /nfs/dbraw/zinc/89/03/07/562890307.db2.gz ITUIHIWHEVUVLO-CJDXHXJZSA-N -1 0 696.969 10.092 1 0 KKAFRM C[C@@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299848985 562890380 /nfs/dbraw/zinc/89/03/80/562890380.db2.gz YVZZWDGPBJHUST-AYSGQXTESA-N -1 0 596.809 5.382 1 0 KKAFRM COc1ccc(OC(=O)N(CC(=O)[O-])[C@@H](C)c2ccc(OCCc3nc(-c4ccc(O)cc4)oc3C)cc2)cc1 ZINC000299853633 562891211 /nfs/dbraw/zinc/89/12/11/562891211.db2.gz NNJSFKKJLSXBPJ-IBGZPJMESA-N -1 0 546.576 5.632 1 0 KKAFRM CC[C@H](C)[C@H]1O[C@@]2(C=CC[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)c3cc(O)c(C)cc3C(=O)[O-])O2)C=C[C@@H]1C ZINC000299856957 562892044 /nfs/dbraw/zinc/89/20/44/562892044.db2.gz DIPSZARIHIBBER-IQYPYIHSSA-N -1 0 550.736 7.370 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5ccc(Cl)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299857198 562892129 /nfs/dbraw/zinc/89/21/29/562892129.db2.gz DVMFXNLRFZJYGT-UHFFFAOYSA-N -1 0 647.132 5.696 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@@H](Cn1nc(-c3ccccc3)c(-c3cccc(Cl)c3)cc1=O)C2 ZINC000299859426 562892680 /nfs/dbraw/zinc/89/26/80/562892680.db2.gz XMPQKKXTNQGHJU-LJQANCHMSA-N -1 0 500.982 5.499 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299860463 562892959 /nfs/dbraw/zinc/89/29/59/562892959.db2.gz GSRYYUVSCKMPHW-NTCAYCPXSA-N -1 0 657.171 6.519 1 0 KKAFRM CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ncc(Cl)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299861027 562893095 /nfs/dbraw/zinc/89/30/95/562893095.db2.gz HMGWRGKXWIZPEI-OUKQBFOZSA-N -1 0 632.121 5.380 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299863356 562893804 /nfs/dbraw/zinc/89/38/04/562893804.db2.gz LASZTPUNWIOFCD-MQXPBDQNSA-N -1 0 677.691 6.418 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(F)cn2)c3C2CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299864929 562894248 /nfs/dbraw/zinc/89/42/48/562894248.db2.gz SEFKLIOWMODTTN-LFIBNONCSA-N -1 0 599.663 5.686 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299865145 562894361 /nfs/dbraw/zinc/89/43/61/562894361.db2.gz NKEBHYKLYPYPQY-BUHFOSPRSA-N -1 0 594.672 5.086 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299865459 562894378 /nfs/dbraw/zinc/89/43/78/562894378.db2.gz TXLZCOVCTPXJEK-WYMLVPIESA-N -1 0 626.689 5.844 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5ccc(F)cc5)c4=S)CC3)c(F)cc2c1=O ZINC000299865941 562894540 /nfs/dbraw/zinc/89/45/40/562894540.db2.gz UURUZYBZOWJUQI-UHFFFAOYSA-N -1 0 630.677 5.182 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299866664 562894704 /nfs/dbraw/zinc/89/47/04/562894704.db2.gz PIAUPIRHULCUFU-SFQUDFHCSA-N -1 0 656.183 7.124 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299868965 562895233 /nfs/dbraw/zinc/89/52/33/562895233.db2.gz SVVNYPDDXFAIHN-JQIJEIRASA-N -1 0 654.743 6.624 1 0 KKAFRM CC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)([O-])OC[C@@H]2C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O2)cc1 ZINC000473081236 562896607 /nfs/dbraw/zinc/89/66/07/562896607.db2.gz AUDJMQXVSKGPJI-USOFFGNWSA-N -1 0 756.594 5.839 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21 ZINC000473087649 562897185 /nfs/dbraw/zinc/89/71/85/562897185.db2.gz LHVFEGQVEVPVKP-GDLZYMKVSA-N -1 0 683.649 8.799 1 0 KKAFRM COc1cc(F)c(F)cc1-c1nn([C@@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473087951 562897217 /nfs/dbraw/zinc/89/72/17/562897217.db2.gz MTQWTVSSOQLSBB-SFHVURJKSA-N -1 0 639.577 7.370 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(OC)cc3)c21 ZINC000473088522 562897317 /nfs/dbraw/zinc/89/73/17/562897317.db2.gz OSPKGZGDFMZESW-PMERELPUSA-N -1 0 645.678 8.000 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473090535 562897544 /nfs/dbraw/zinc/89/75/44/562897544.db2.gz WCHUCFBMFNEIHQ-KRWDZBQOSA-N -1 0 627.541 7.500 1 0 KKAFRM CCCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21 ZINC000473090562 562897556 /nfs/dbraw/zinc/89/75/56/562897556.db2.gz WDPJGUOYBLRNMQ-WJOKGBTCSA-N -1 0 694.150 9.044 1 0 KKAFRM COc1ccc(C(F)(F)F)cc1-c1nn([C@@H](c2ccc(C(=O)NCCC(=O)[O-])cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473091692 562897688 /nfs/dbraw/zinc/89/76/88/562897688.db2.gz ZHSLIIBGVKUFSZ-UUWRZZSWSA-N -1 0 629.679 8.156 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 ZINC000473091941 562897747 /nfs/dbraw/zinc/89/77/47/562897747.db2.gz ZPWJSAXFXPHBEO-SSEXGKCCSA-N -1 0 645.678 8.000 1 0 KKAFRM COc1ncc(-c2sc3ncnc(-c4ccncc4)c3c2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000473111617 562898614 /nfs/dbraw/zinc/89/86/14/562898614.db2.gz AUPUCDAMXIOSKC-UHFFFAOYSA-N -1 0 525.562 5.211 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(N2N=C(c3cc4ccccc4oc3=O)C[C@H]2c2cccs2)cc1)NCc1ccccc1 ZINC000473118021 562899245 /nfs/dbraw/zinc/89/92/45/562899245.db2.gz KAUCNQWWVRMHBT-SANMLTNESA-N -1 0 584.679 5.398 1 0 KKAFRM Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(N(CC(=O)[O-])C(=O)c3ccccc3)cc2)c1 ZINC000473159397 562902717 /nfs/dbraw/zinc/90/27/17/562902717.db2.gz XHOLJNIZFIDPRK-UHFFFAOYSA-N -1 0 601.721 6.094 1 0 KKAFRM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)N(C)C)CC1 ZINC000473183000 562903506 /nfs/dbraw/zinc/90/35/06/562903506.db2.gz GXOHNXJKEOEPKA-RZDIXWSQSA-N -1 0 500.426 5.598 1 0 KKAFRM Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653663048 562905924 /nfs/dbraw/zinc/90/59/24/562905924.db2.gz FKHMXABMILEREF-UHFFFAOYSA-N -1 0 615.111 5.842 1 0 KKAFRM CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c([O-])cc4O)cc3)cc2)CC1 ZINC000653672887 562906181 /nfs/dbraw/zinc/90/61/81/562906181.db2.gz WDTTVXPLOSQFLL-UHFFFAOYSA-N -1 0 598.146 5.263 1 0 KKAFRM CC1=CC(=O)O[C@@]12C[C@H]1C[C@H](O)[C@@]3(C)Oc4cc(O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@]1(C)O/C2=C\C(=O)[O-] ZINC000653688547 562906621 /nfs/dbraw/zinc/90/66/21/562906621.db2.gz OXSJMQHDCNTXLE-CJFYNQMGSA-N -1 0 552.664 5.143 1 0 KKAFRM CCCc1c(Cl)c(OC)c(Cl)c(OC)c1Oc1c2c(c(Cl)c([O-])c1Cl)[C@@H](CC)OC2=O ZINC000653700679 562907335 /nfs/dbraw/zinc/90/73/35/562907335.db2.gz BARPJLAHSGNLFG-SECBINFHSA-N -1 0 510.197 7.389 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCc6ccccc6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1O ZINC000653701032 562907431 /nfs/dbraw/zinc/90/74/31/562907431.db2.gz GQPSVVAMVNMEAC-DLFZDVPBSA-N -1 0 570.550 5.038 1 0 KKAFRM CCCCOc1cc(=O)c2c([O-])c(OCCCC)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653701037 562907464 /nfs/dbraw/zinc/90/74/64/562907464.db2.gz GSMSNEOZIULMAW-MVSFAKPFSA-N -1 0 592.641 6.111 1 0 KKAFRM COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc2c1 ZINC000653714719 562908441 /nfs/dbraw/zinc/90/84/41/562908441.db2.gz FYQBBUXBNJHKDJ-NBKHBDGKSA-N -1 0 587.521 5.811 1 0 KKAFRM COC(=O)[C@H](CC(C)C)N[P@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccc(O)cc3)oc2c1 ZINC000653714809 562908444 /nfs/dbraw/zinc/90/84/44/562908444.db2.gz NJYJLZHENCTSPI-NXTAUOLQSA-N -1 0 553.504 5.614 1 0 KKAFRM CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(OCCF)cc2)cc1)[P@@](=O)([O-])O ZINC000653716023 562908500 /nfs/dbraw/zinc/90/85/00/562908500.db2.gz UHXPHVQOXYZQPP-VWLOTQADSA-N -1 0 521.547 5.053 1 0 KKAFRM CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)[O-])[C@@]1(C)CC2 ZINC000653730169 562909431 /nfs/dbraw/zinc/90/94/31/562909431.db2.gz DOGNEMJACWRRLK-DCLLEOEPSA-N -1 0 544.773 6.710 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000653755672 562910897 /nfs/dbraw/zinc/91/08/97/562910897.db2.gz NAPUUMNGUCFIDS-UHFFFAOYSA-N -1 0 572.914 7.759 1 0 KKAFRM CCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653760635 562911284 /nfs/dbraw/zinc/91/12/84/562911284.db2.gz KQTXBXFCFQJGGY-UHFFFAOYSA-N -1 0 592.121 6.151 1 0 KKAFRM CCCc1nc2c(cc(C(=O)N[C@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653765589 562911605 /nfs/dbraw/zinc/91/16/05/562911605.db2.gz GOEQGNQJUPULCM-GDLZYMKVSA-N -1 0 547.655 6.174 1 0 KKAFRM Cc1cc(=O)oc2c1cc(-c1nn(-c3ccc(F)cc3)cc1C=O)c([O-])c2-c1nn(-c2ccc(F)cc2)cc1C=O ZINC000653780542 562912120 /nfs/dbraw/zinc/91/21/20/562912120.db2.gz ZGKXBICPTJZVGW-UHFFFAOYSA-N -1 0 552.493 5.416 1 0 KKAFRM COc1ccc(-c2sc(C(=O)[O-])cc2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000653780809 562912158 /nfs/dbraw/zinc/91/21/58/562912158.db2.gz WYROVLVFJWUSBT-UHFFFAOYSA-N -1 0 506.576 6.394 1 0 KKAFRM C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@@H]1/C=C/CCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)([O-])[O-])cc1 ZINC000653790224 562912564 /nfs/dbraw/zinc/91/25/64/562912564.db2.gz VGGWHOZTVCAHRH-ACAAUPTLSA-N -1 0 554.624 5.272 1 0 KKAFRM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C/C(=O)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000653821026 562914100 /nfs/dbraw/zinc/91/41/00/562914100.db2.gz LXONEYAEDYHLJT-ZRKUIFQGSA-N -1 0 523.976 6.899 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(F)cc1 ZINC000653841637 562914871 /nfs/dbraw/zinc/91/48/71/562914871.db2.gz HJIJRAAIWKMTEJ-RUZDIDTESA-N -1 0 538.406 6.403 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N[C@H](C)CC(=O)[O-])cc3)ccc2c1 ZINC000653847534 562915270 /nfs/dbraw/zinc/91/52/70/562915270.db2.gz QPASRSVTPDZTHX-WOJBJXKFSA-N -1 0 602.518 7.888 1 0 KKAFRM CC(C)Oc1ccc(C(=O)Nc2c(C(=O)[O-])nn(-c3ccc(C(C)C)cc3)c2-c2ccc(OCc3ccccc3)cc2)cc1 ZINC000653849051 562915352 /nfs/dbraw/zinc/91/53/52/562915352.db2.gz CLACLESTZWRFRK-UHFFFAOYSA-N -1 0 589.692 7.979 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N[C@H](CC(=O)[O-])c4ccccc4)cc3)ccc2c1 ZINC000653848737 562915374 /nfs/dbraw/zinc/91/53/74/562915374.db2.gz NZPVPVNZOQBYCQ-GRMGDBHTSA-N -1 0 664.589 9.241 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(-c2ccccc2)cc1 ZINC000653850815 562915498 /nfs/dbraw/zinc/91/54/98/562915498.db2.gz JSRRLYRPMGPUNO-WJOKGBTCSA-N -1 0 596.514 7.931 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(-c2ccccc2)cc1 ZINC000653850814 562915528 /nfs/dbraw/zinc/91/55/28/562915528.db2.gz JSRRLYRPMGPUNO-HKBQPEDESA-N -1 0 596.514 7.931 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccc2ccccc21 ZINC000653851030 562915563 /nfs/dbraw/zinc/91/55/63/562915563.db2.gz ZZHORLBPRHAVIG-LJAQVGFWSA-N -1 0 570.476 7.417 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653856823 562915748 /nfs/dbraw/zinc/91/57/48/562915748.db2.gz HVUVOGPDCOYMKK-UHFFFAOYSA-N -1 0 757.207 6.245 1 0 KKAFRM O=C([O-])c1cccc([C@H]2C[C@H](c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000653864010 562916125 /nfs/dbraw/zinc/91/61/25/562916125.db2.gz CEDVQQBJHWLXPI-MXVIHJGJSA-N -1 0 568.884 9.118 1 0 KKAFRM CCCCCOc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc2c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O2 ZINC000653887473 562917022 /nfs/dbraw/zinc/91/70/22/562917022.db2.gz AWIJZJKQVBMQJN-NAKRPHOHSA-N -1 0 550.560 5.028 1 0 KKAFRM [NH3+][C@@H](CO[P@](=O)([O-])O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000653914363 562917803 /nfs/dbraw/zinc/91/78/03/562917803.db2.gz HYGFIXKGSYLQJL-WIIGKZCBSA-N -1 0 664.044 5.280 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000044387960 565112823 /nfs/dbraw/zinc/11/28/23/565112823.db2.gz ZOXDAGKKDOEJBW-YVZDRRNJSA-N -1 0 602.856 9.059 1 0 biogenic,in-vitro KKAFRM CCC[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]45C)[C@@H]2[C@H](O)C[C@]1(O)O[C@H]3Cc1ccccc1 ZINC000085530687 565135830 /nfs/dbraw/zinc/13/58/30/565135830.db2.gz UKTFMMJXMRKCBQ-RBDUWABNSA-N -1 0 606.888 8.014 1 0 biogenic,in-vitro KKAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777953 571826035 /nfs/dbraw/zinc/82/60/35/571826035.db2.gz XINANDRKNJRDBH-SDNVKHSWSA-N -1 0 516.719 5.358 1 0 endogenous,in-man KKAFRM COC(=O)[C@]1(C)CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777958 571826038 /nfs/dbraw/zinc/82/60/38/571826038.db2.gz XINANDRKNJRDBH-VVKGGUGESA-N -1 0 516.719 5.358 1 0 endogenous,in-man KKAFRM C[C@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)/C=C/c6ccc(O)cc6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100783852 574412494 /nfs/dbraw/zinc/41/24/94/574412494.db2.gz WSWPNGAODCKAHB-POUUSBQISA-N -1 0 634.854 7.147 1 0 endogenous,in-man KKAFRM C[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(COC(=O)/C=C/c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@@H]2[C@@]1(C)O ZINC000100783894 574412516 /nfs/dbraw/zinc/41/25/16/574412516.db2.gz SWEBUECVVVXRRV-DJQZJENOSA-N -1 0 650.853 6.118 1 0 endogenous,in-man KKAFRM COC(=O)[C@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]43C)[C@H]2C1 ZINC000257639040 574412979 /nfs/dbraw/zinc/41/29/79/574412979.db2.gz YAGYBNOEVSEGSL-USCSGAMBSA-N -1 0 516.719 5.359 1 0 endogenous,in-man KKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3oc4ccccc4c3Cc3ccccc3)cc2)cc1 ZINC000028756699 581101692 /nfs/dbraw/zinc/10/16/92/581101692.db2.gz YFLFWUJJLNERSQ-UMSFTDKQSA-N -1 0 524.616 8.432 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]5(C)CC[C@]43C)[C@@H]2C1 ZINC000069482221 291914125 /nfs/dbraw/zinc/91/41/25/291914125.db2.gz ZBGQJYHBTRVARC-SFLJLYCDSA-N -1 0 502.736 5.567 1 0 biogenic,in-vitro KKAFRM COc1cc(/C=C\C(=O)OC[C@@]23CC[C@@]4(C(=O)[O-])CCC(C)(C)C[C@H]4C2=CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@]23C)ccc1O ZINC000014114154 291967776 /nfs/dbraw/zinc/96/77/76/291967776.db2.gz HIFZHAYMNQEZKV-QIECMPMRSA-N -1 0 648.881 8.185 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@]23CC[C@@H]4[C@@]5(C)CC[C@@]6(C)CC[C@@](C)(C(=O)[O-])C[C@H]6[C@]5(C)C[C@H]5CC[C@@H](C[C@]1(O)O[C@H]2Cc1ccccc1)[C@H]3[C@]54C ZINC000085530783 291987422 /nfs/dbraw/zinc/98/74/22/291987422.db2.gz FYQXURZTMUMXAY-NNCKDCAVSA-N -1 0 588.873 8.509 1 0 biogenic,in-vitro KKAFRM O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc([O-])cc(OCCC3(O)CCCCC3)c12 ZINC000085569460 291994283 /nfs/dbraw/zinc/99/42/83/291994283.db2.gz XOPGAMYMFNGIBU-UHFFFAOYSA-N -1 0 502.563 5.632 1 0 biogenic,in-vitro KKAFRM CC(C)(C)c1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)[O-])cc2)c2ccc(C3CCCCC3)cc2)c1 ZINC000044306058 551089151 /nfs/dbraw/zinc/08/91/51/551089151.db2.gz AKFRCBAYXPRXSG-SSEXGKCCSA-N -1 0 571.718 6.446 1 0 KKAFRM CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]2CCc3cc(C(=O)NCCC(=O)[O-])ccc32)CC1 ZINC000261103705 551090580 /nfs/dbraw/zinc/09/05/80/551090580.db2.gz GZGAUBCVTUVGJU-RJWMVNQGSA-N -1 0 574.549 7.324 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(cccc3OC(F)(F)F)c2)cc1 ZINC000095093513 551090798 /nfs/dbraw/zinc/09/07/98/551090798.db2.gz WYWGZQRLUCSQFO-UHFFFAOYSA-N -1 0 628.434 7.829 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095117924 551090802 /nfs/dbraw/zinc/09/08/02/551090802.db2.gz RKAMLEWVIMMUHI-NRFANRHFSA-N -1 0 601.625 7.520 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095087835 551090855 /nfs/dbraw/zinc/09/08/55/551090855.db2.gz VRBOQZKRFBOHLQ-IBGZPJMESA-N -1 0 588.491 7.500 1 0 KKAFRM COc1ccc(NC(=O)NCc2ccc(NC(=O)/C=C/c3c(C(=O)[O-])[nH]c4cc(Cl)cc(Cl)c43)cc2)cc1 ZINC000001486265 561675941 /nfs/dbraw/zinc/67/59/41/561675941.db2.gz MDRZBTLQRMJXQF-ZHACJKMWSA-N -1 0 553.402 6.155 1 0 KKAFRM O=C([O-])c1c(Cc2ccc(Br)cc2)c(=O)c2ccccc2n1Cc1cc2c(cc1Cl)OCO2 ZINC000001486336 561675949 /nfs/dbraw/zinc/67/59/49/561675949.db2.gz UYUPISNNUSXMCS-UHFFFAOYSA-N -1 0 526.770 5.483 1 0 KKAFRM C[C@H](Cc1ccc(C(=O)[O-])cc1)NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000001486220 561675981 /nfs/dbraw/zinc/67/59/81/561675981.db2.gz ARZCDLUKHHSKGP-HXUWFJFHSA-N -1 0 526.614 5.575 1 0 KKAFRM Cc1ccc(Cl)c(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000001489841 561676204 /nfs/dbraw/zinc/67/62/04/561676204.db2.gz JNKKKUYWBNHUJN-FQEVSTJZSA-N -1 0 505.785 5.633 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3cnccn3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535723 561676767 /nfs/dbraw/zinc/67/67/67/561676767.db2.gz OWXSXDNOMGMHFC-UHFFFAOYSA-N -1 0 538.113 7.256 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3cnc4ccccc4c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535736 561676774 /nfs/dbraw/zinc/67/67/74/561676774.db2.gz YXRQLPSAIUHYFR-UHFFFAOYSA-N -1 0 587.185 9.014 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3nc4ccccc4s3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535795 561676776 /nfs/dbraw/zinc/67/67/76/561676776.db2.gz YHWPKGLIJNVARR-UHFFFAOYSA-N -1 0 593.214 9.076 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1ccc(-c3ccccc3)cc1)CCC2 ZINC000001534298 561676779 /nfs/dbraw/zinc/67/67/79/561676779.db2.gz LRLBHWLNEJHHLJ-DFFCFZDXSA-N -1 0 540.635 5.941 1 0 in-vitro KKAFRM CC(C)(C)Sc1c2cc(OCc3ccc4cnccc4n3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535734 561676795 /nfs/dbraw/zinc/67/67/95/561676795.db2.gz RYXDZKXFQIHCTB-UHFFFAOYSA-N -1 0 588.173 8.409 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCc3ccccc32)nc1C(=O)[O-] ZINC000001541954 561677031 /nfs/dbraw/zinc/67/70/31/561677031.db2.gz XKICGEVCBUOTCT-LOSJGSFVSA-N -1 0 571.678 5.150 1 0 KKAFRM CC(CCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000002002114 561680354 /nfs/dbraw/zinc/68/03/54/561680354.db2.gz JZNYKMFUBPEYJE-UHFFFAOYSA-N -1 0 568.673 8.112 1 0 KKAFRM CCCc1c(OCCCOc2ccc([C@@H](CCCc3ccccc3)SCCC(=O)[O-])cc2)ccc(C(C)=O)c1O ZINC000003942980 561689523 /nfs/dbraw/zinc/68/95/23/561689523.db2.gz PJIRMAZBXQLONL-WJOKGBTCSA-N -1 0 564.744 7.667 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2cscn2)c1OC ZINC000003802757 561682637 /nfs/dbraw/zinc/68/26/37/561682637.db2.gz PWBIFHFPTKIDON-SANMLTNESA-N -1 0 525.667 6.350 1 0 KKAFRM CCCc1nc(CC)c(C(=O)OCOC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003944534 561689728 /nfs/dbraw/zinc/68/97/28/561689728.db2.gz LUVPSYYPWHSEFN-UHFFFAOYSA-N -1 0 546.628 5.359 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2[C@@H]1O ZINC000003919977 561685696 /nfs/dbraw/zinc/68/56/96/561685696.db2.gz MPAVKANPTWXZRO-DNOBIOAJSA-N -1 0 609.022 6.022 1 0 KKAFRM O=C([O-])CNC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000003920889 561685775 /nfs/dbraw/zinc/68/57/75/561685775.db2.gz SFJJHGCGXLUQLC-HHHXNRCGSA-N -1 0 696.868 5.625 1 0 KKAFRM CN(C(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000003932816 561687853 /nfs/dbraw/zinc/68/78/53/561687853.db2.gz IYPQGGAZCDEUJO-NSOVKSMOSA-N -1 0 641.596 5.690 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000003932668 561687895 /nfs/dbraw/zinc/68/78/95/561687895.db2.gz KOGXOIGJTMVDQX-UHFFFAOYSA-N -1 0 607.452 7.096 1 0 KKAFRM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000003932798 561687922 /nfs/dbraw/zinc/68/79/22/561687922.db2.gz ICAPMMDFNBEQIH-URLMMPGGSA-N -1 0 638.592 6.020 1 0 KKAFRM O=C([O-])CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 ZINC000003940353 561689156 /nfs/dbraw/zinc/68/91/56/561689156.db2.gz BVJZPAJDRJEDNQ-RUZDIDTESA-N -1 0 536.653 6.982 1 0 KKAFRM O=C1CS[C@@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)[O-])c2)N1c1nc2ccccc2s1 ZINC000006009741 561701707 /nfs/dbraw/zinc/70/17/07/561701707.db2.gz VEBYSAGFNVZSIN-ODUIWNOOSA-N -1 0 548.671 5.256 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)C2CCCCCC2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358107 561710162 /nfs/dbraw/zinc/71/01/62/561710162.db2.gz LGYLPQDCGVFKFX-LJAQVGFWSA-N -1 0 555.675 6.604 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@H]2SC(=O)[N-]C2=O)cc1OC ZINC000012358272 561710365 /nfs/dbraw/zinc/71/03/65/561710365.db2.gz BVMOBZXSLKAEMB-AREMUKBSSA-N -1 0 507.608 6.312 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1Cl ZINC000012358267 561710367 /nfs/dbraw/zinc/71/03/67/561710367.db2.gz JGKOULRFFRAIPG-VWLOTQADSA-N -1 0 512.027 6.957 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2nccc3ccccc32)cc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000013443152 561712974 /nfs/dbraw/zinc/71/29/74/561712974.db2.gz RMURRZCEBZWIKQ-SANMLTNESA-N -1 0 507.590 5.111 1 0 KKAFRM CCCCOc1ccc2c(c1)C(c1ccc3c(c1)OCO3)=C(C(=O)[O-])[C@H](c1ccc(OC3CCCC3)cc1)O2 ZINC000013473427 561714381 /nfs/dbraw/zinc/71/43/81/561714381.db2.gz YYYQJJOAIXBKSQ-HKBQPEDESA-N -1 0 528.601 6.936 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNCC(F)(F)F)c1C ZINC000013492876 561716532 /nfs/dbraw/zinc/71/65/32/561716532.db2.gz ZHRNJYRTUCXIIO-UHFFFAOYSA-N -1 0 506.506 5.066 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)c1ccc(Cl)cc1Cl ZINC000013494013 561716748 /nfs/dbraw/zinc/71/67/48/561716748.db2.gz RUABXPJGODIKDI-NRFANRHFSA-N -1 0 507.211 6.094 1 0 KKAFRM O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1Sc1ccc(-c2nc3ccccc3s2)cc1 ZINC000013525894 561717317 /nfs/dbraw/zinc/71/73/17/561717317.db2.gz UROHLDAMBMAOKL-DPSWKAHMSA-N -1 0 514.632 5.340 1 0 KKAFRM CCc1cc(Cl)ccc1C(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013553342 561718454 /nfs/dbraw/zinc/71/84/54/561718454.db2.gz MARHVGALSWDOTH-QHCPKHFHSA-N -1 0 500.820 6.003 1 0 KKAFRM CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2c(c1)O[C@@](CC(C)C)(C(=O)[O-])CC2 ZINC000013580339 561719950 /nfs/dbraw/zinc/71/99/50/561719950.db2.gz MVEJBLDUMKNERO-YTTGMZPUSA-N -1 0 518.650 7.474 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000013586769 561720546 /nfs/dbraw/zinc/72/05/46/561720546.db2.gz BSDJZQSNAUWLEB-VWLOTQADSA-N -1 0 512.566 5.414 1 0 KKAFRM CN(C)C(=O)CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000013646589 561722726 /nfs/dbraw/zinc/72/27/26/561722726.db2.gz FDGHCHXCSGYZGL-UHFFFAOYSA-N -1 0 510.034 5.254 1 0 KKAFRM Cc1cc(C)c(-c2nc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)c(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c(C)c1 ZINC000013674725 561723906 /nfs/dbraw/zinc/72/39/06/561723906.db2.gz MYYQAPSPAKFHPX-UHFFFAOYSA-N -1 0 525.693 7.410 1 0 KKAFRM CCCc1c2onc(C(F)(F)F)c2ccc1OCC[C@@H](C)CCOc1cccc2c1ccn2CC(=O)[O-] ZINC000013677976 561724307 /nfs/dbraw/zinc/72/43/07/561724307.db2.gz OZQNBEMTLPTJIG-KRWDZBQOSA-N -1 0 518.532 6.713 1 0 KKAFRM O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)NCc4ccccc4)cc31)c1ccccc1CO2 ZINC000013727083 561725168 /nfs/dbraw/zinc/72/51/68/561725168.db2.gz CXRPNKDYPXFDIU-VULFUBBASA-N -1 0 515.569 5.689 1 0 KKAFRM O=C([O-])CCCCC[C@H](c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733237 561725413 /nfs/dbraw/zinc/72/54/13/561725413.db2.gz RXLLZZVKOZGWDX-RUZDIDTESA-N -1 0 501.048 5.423 1 0 KKAFRM CCCC[C@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000013742361 561726234 /nfs/dbraw/zinc/72/62/34/561726234.db2.gz ZGTQUBJSTZUONR-KIGDWMLKSA-N -1 0 524.661 7.707 1 0 KKAFRM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744248 561726644 /nfs/dbraw/zinc/72/66/44/561726644.db2.gz LZHHKCZHWRYWOD-ZCYQVOJMSA-N -1 0 536.669 5.884 1 0 KKAFRM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NS(=O)(=O)c3ccccc3)c2)C2CC2)c(=O)o1 ZINC000013756575 561727309 /nfs/dbraw/zinc/72/73/09/561727309.db2.gz KPHRDRFCGGZQJY-MNNSJKJDSA-N -1 0 529.658 6.424 1 0 KKAFRM O=C([O-])[C@H](Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc1)c1ccccc1 ZINC000013806756 561731516 /nfs/dbraw/zinc/73/15/16/561731516.db2.gz BBLLDEJAERDDDB-UUWRZZSWSA-N -1 0 510.589 8.562 1 0 KKAFRM CC(C)c1nc(-c2ccc(F)cc2)c(-c2cc(Cl)cc(Cl)c2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000013833959 561733910 /nfs/dbraw/zinc/73/39/10/561733910.db2.gz VQTQMORSAWEUGO-DVFFMCNPSA-N -1 0 507.389 5.844 1 0 KKAFRM CC(C)c1ccc(C[C@H]2CCCc3c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])n(-c4ccc(F)cc4)nc32)cc1 ZINC000013834013 561734073 /nfs/dbraw/zinc/73/40/73/561734073.db2.gz HKYVZEXRHSHVEW-FYELAYDUSA-N -1 0 506.618 5.397 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC000013834062 561734102 /nfs/dbraw/zinc/73/41/02/561734102.db2.gz JNVJJRSXVJPSIS-SSEXGKCCSA-N -1 0 513.682 7.077 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000014116088 561736801 /nfs/dbraw/zinc/73/68/01/561736801.db2.gz LVLWWPLSSKDAMU-KFACBJOOSA-N -1 0 602.706 9.435 1 0 KKAFRM CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(O[C@H](Cc3ccccc3)C(=O)[O-])c2I)c1 ZINC000014128319 561736938 /nfs/dbraw/zinc/73/69/38/561736938.db2.gz LOXFBQGQGUXLKH-SSEXGKCCSA-N -1 0 604.484 8.199 1 0 KKAFRM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)OC ZINC000014191869 561737560 /nfs/dbraw/zinc/73/75/60/561737560.db2.gz UGCQXMLNDCDBGG-HHHXNRCGSA-N -1 0 611.724 5.611 1 0 KKAFRM CCCc1nc2c(cc(-c3ccccc3)cc2C)n1CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)OC ZINC000014191871 561737589 /nfs/dbraw/zinc/73/75/89/561737589.db2.gz MARBDPRGPCDNDA-SANMLTNESA-N -1 0 557.672 5.724 1 0 KKAFRM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)[O-])n3Cc2ccccc2)cc1 ZINC000014209714 561737735 /nfs/dbraw/zinc/73/77/35/561737735.db2.gz WSWFYJSQILZWCD-UHFFFAOYSA-N -1 0 538.669 7.153 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](C(=O)[O-])CC3)ccc(C2=NC(=S)SC2)c1OC ZINC000014254643 561738585 /nfs/dbraw/zinc/73/85/85/561738585.db2.gz PUGSQEGOAXWGCW-RUZDIDTESA-N -1 0 557.734 6.639 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccc(C)cc1C ZINC000014963290 561748991 /nfs/dbraw/zinc/74/89/91/561748991.db2.gz HBEPZEPTRFMZPI-UHFFFAOYSA-N -1 0 525.605 5.850 1 0 KKAFRM CS(=O)(=O)c1ccc(-c2ccc3cc(C[C@@H](NC(=O)c4c(Cl)cccc4Cl)C(=O)[O-])ccc3n2)cc1 ZINC000014963507 561749086 /nfs/dbraw/zinc/74/90/86/561749086.db2.gz HWXJBOSLYOUUHN-HSZRJFAPSA-N -1 0 543.428 5.038 1 0 KKAFRM CS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)[O-])c(Cl)c1 ZINC000014963580 561749166 /nfs/dbraw/zinc/74/91/66/561749166.db2.gz GWXWMVWWYIESGE-QHCPKHFHSA-N -1 0 577.873 5.691 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(O)c3)c2)c(Br)c1 ZINC000014969303 561750508 /nfs/dbraw/zinc/75/05/08/561750508.db2.gz WCRWBJJFDPTIQX-UHFFFAOYSA-N -1 0 510.134 5.835 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccc(C(F)(F)F)cc3)c2)c(Br)c1 ZINC000014969292 561750523 /nfs/dbraw/zinc/75/05/23/561750523.db2.gz ZOOUPJHRNKSBCT-UHFFFAOYSA-N -1 0 562.132 7.148 1 0 KKAFRM COc1cccc(CCNC(=O)c2cc(Oc3c(Br)cc(CC(=O)[O-])cc3Br)ccc2O)c1 ZINC000014969335 561750560 /nfs/dbraw/zinc/75/05/60/561750560.db2.gz DXUUCDHPAFKXTK-UHFFFAOYSA-N -1 0 579.241 5.318 1 0 KKAFRM COc1cc(-c2nc(C(F)(F)F)cs2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-] ZINC000014977130 561752301 /nfs/dbraw/zinc/75/23/01/561752301.db2.gz GOJGFAYZIKEGTK-INIZCTEOSA-N -1 0 507.530 6.190 1 0 KKAFRM O=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[P@](=O)([O-])[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000015746080 561752907 /nfs/dbraw/zinc/75/29/07/561752907.db2.gz VDKNGIRBKVESJN-RNPORBBMSA-N -1 0 510.574 6.532 1 0 KKAFRM CCCc1c(O)c(C(C)=O)cc(C(C)=O)c1NC(=O)c1sc(C)cc1S(=O)(=O)[N-]c1onc(C)c1Cl ZINC000026152170 561767791 /nfs/dbraw/zinc/76/77/91/561767791.db2.gz VYWDHFQLTPQODD-UHFFFAOYSA-N -1 0 554.046 5.123 1 0 KKAFRM CCCC/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1 ZINC000025970524 561763240 /nfs/dbraw/zinc/76/32/40/561763240.db2.gz JSJNHKLVZUNIDQ-HEHNFIMWSA-N -1 0 591.586 7.323 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025985919 561764239 /nfs/dbraw/zinc/76/42/39/561764239.db2.gz DTHLOBYXEMQYBV-CERRFVOPSA-N -1 0 533.713 5.942 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc3ccccc32)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025988237 561764516 /nfs/dbraw/zinc/76/45/16/561764516.db2.gz FWCQVBZMZSRSKB-HRHHFINDSA-N -1 0 544.736 6.614 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Br)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025989718 561764586 /nfs/dbraw/zinc/76/45/86/561764586.db2.gz VFGGQXYFBRUJJO-RMTZWNOUSA-N -1 0 573.572 6.223 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2cccc(N)c2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC000025990944 561764682 /nfs/dbraw/zinc/76/46/82/561764682.db2.gz PMABCPFRGPPVJY-CKIYMEHHSA-N -1 0 571.762 6.935 1 0 KKAFRM CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000026153182 561767950 /nfs/dbraw/zinc/76/79/50/561767950.db2.gz GSXJXZQDSDWZRF-SANMLTNESA-N -1 0 543.108 6.471 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(I)cc3c2O)cc1 ZINC000026005123 561765493 /nfs/dbraw/zinc/76/54/93/561765493.db2.gz BRAXEJGNOSWQKF-UHFFFAOYSA-N -1 0 564.376 5.307 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4ccc(Cl)cc4)cc3c2O)cc1 ZINC000026006125 561765603 /nfs/dbraw/zinc/76/56/03/561765603.db2.gz DMYGJZICJJUYIE-UHFFFAOYSA-N -1 0 549.023 7.023 1 0 KKAFRM CCCc1nc(CC)c(C(=O)N(C)C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000026028549 561766919 /nfs/dbraw/zinc/76/69/19/561766919.db2.gz FCUQWHAINXOYOX-UHFFFAOYSA-N -1 0 549.697 5.221 1 0 KKAFRM CC(C)[C@H](OC(=O)C(C)(C)C)n1nnc(-c2ccccc2-c2ccc(Oc3c(C(=O)[O-])c4ccccc4nc3C3CC3)cc2)n1 ZINC000026160488 561768557 /nfs/dbraw/zinc/76/85/57/561768557.db2.gz OMSQPRZIJLTFMM-YTTGMZPUSA-N -1 0 605.695 7.667 1 0 KKAFRM CC(C)(C)c1ccc([C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(COC(F)(F)F)cc2)cc1 ZINC000026172303 561770158 /nfs/dbraw/zinc/77/01/58/561770158.db2.gz QLDLIGJRIJWKFV-SANMLTNESA-N -1 0 570.608 6.190 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Oc2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026172235 561770163 /nfs/dbraw/zinc/77/01/63/561770163.db2.gz QETNPKWOLZTWCI-XZWHSSHBSA-N -1 0 566.654 5.585 1 0 KKAFRM CCc1ccc(NC(=O)[C@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000026173332 561770390 /nfs/dbraw/zinc/77/03/90/561770390.db2.gz YHLCRZHSPHLZMD-HHHXNRCGSA-N -1 0 500.639 5.716 1 0 KKAFRM CCc1ccc(NC(=O)[C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000026173328 561770398 /nfs/dbraw/zinc/77/03/98/561770398.db2.gz YHLCRZHSPHLZMD-MHZLTWQESA-N -1 0 500.639 5.716 1 0 KKAFRM CCc1nc(CC(C)C)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026173362 561770415 /nfs/dbraw/zinc/77/04/15/561770415.db2.gz JWCGBANMMUQWJS-UHFFFAOYSA-N -1 0 641.510 6.489 1 0 KKAFRM Cc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(C(=O)NCCC(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000026173562 561770527 /nfs/dbraw/zinc/77/05/27/561770527.db2.gz DBBGXKSTFWBLQK-SSEXGKCCSA-N -1 0 555.719 5.172 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ncccn2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026291059 561780582 /nfs/dbraw/zinc/78/05/82/561780582.db2.gz QGSBCBLFBNGHAE-UHFFFAOYSA-N -1 0 658.697 5.076 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(C)=O)c(C)c1 ZINC000026157350 561768259 /nfs/dbraw/zinc/76/82/59/561768259.db2.gz JNJFXWKWXSREQA-UHFFFAOYSA-N -1 0 539.698 5.839 1 0 KKAFRM Cc1cc(C)cc(C(=O)N(C)[C@H](Cc2ccc(-c3cccs3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000026378617 561782864 /nfs/dbraw/zinc/78/28/64/561782864.db2.gz CFTTVXIBXXPWEU-XZWHSSHBSA-N -1 0 579.722 6.009 1 0 KKAFRM CCCC[C@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCCC1)C(=O)[O-] ZINC000026392021 561786017 /nfs/dbraw/zinc/78/60/17/561786017.db2.gz ZYABEFSJBSSQOX-VYZHEGBNSA-N -1 0 616.203 5.140 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2C)cc1)C(C)(C)C ZINC000026394367 561786551 /nfs/dbraw/zinc/78/65/51/561786551.db2.gz XUHCFLAIQCGOLL-XZWHSSHBSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(Br)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026395287 561786621 /nfs/dbraw/zinc/78/66/21/561786621.db2.gz BOXSOXSFZRZIAF-XRKRLSELSA-N -1 0 627.560 6.336 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C ZINC000026396210 561786988 /nfs/dbraw/zinc/78/69/88/561786988.db2.gz WFQFQAQNCYHBTC-PQHLKRTFSA-N -1 0 578.690 5.582 1 0 KKAFRM CCCC[C@@H](NC(=O)[C@@H](Cc1c(Cl)[nH]c2ccccc21)NC(=O)[C@H](CCCC)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)[O-] ZINC000026396557 561787142 /nfs/dbraw/zinc/78/71/42/561787142.db2.gz VPODUSBOCNZAFZ-QPKFISTISA-N -1 0 604.192 5.140 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1cccc(C)c1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026396572 561787145 /nfs/dbraw/zinc/78/71/45/561787145.db2.gz JJTWKBAUPPWAGL-XZWHSSHBSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccc(OC)cc2)cc1)C(C)(C)C ZINC000026402297 561788626 /nfs/dbraw/zinc/78/86/26/561788626.db2.gz DMUZNXFYXIXAFS-MFMCTBQISA-N -1 0 578.690 5.582 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2Cl)cc1)C(C)(C)C ZINC000026402280 561788664 /nfs/dbraw/zinc/78/86/64/561788664.db2.gz ZSRPSCNAFVEYRR-LMSSTIIKSA-N -1 0 583.109 6.227 1 0 KKAFRM COc1ccc(Br)c(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000026501810 561795705 /nfs/dbraw/zinc/79/57/05/561795705.db2.gz GRSVHAPJHOVVNB-FQEVSTJZSA-N -1 0 566.235 5.443 1 0 KKAFRM CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4NC(=O)c4cc(Cl)cc(Cl)c4[O-])cc3)sc2c1 ZINC000026567465 561797348 /nfs/dbraw/zinc/79/73/48/561797348.db2.gz PSTRBGUZCZNQFY-UHFFFAOYSA-N -1 0 679.434 9.670 1 0 KKAFRM O=C([O-])CC1(CS[C@H](CCc2ccc(C(F)(F)F)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026569749 561797770 /nfs/dbraw/zinc/79/77/70/561797770.db2.gz FOERRCYLHSJHPT-JHEAYKPVSA-N -1 0 636.588 10.454 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc([C@H]2C[C@@H]2c2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026573714 561798745 /nfs/dbraw/zinc/79/87/45/561798745.db2.gz UQJBBYJBUQUDNA-ONBPZOJHSA-N -1 0 640.698 9.764 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2cc(C(C)(C)C)c(OC(=O)CCCCCCC(=O)[O-])c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026575423 561799133 /nfs/dbraw/zinc/79/91/33/561799133.db2.gz FUIVCPQSDZZBJR-UHFFFAOYSA-N -1 0 673.038 11.533 1 0 KKAFRM COc1cc(Cn2nc(-c3ccccc3)c(Cc3cc4c(cc3Cl)OCO4)c2C(=O)[O-])cc(OC)c1 ZINC000026576429 561800262 /nfs/dbraw/zinc/80/02/62/561800262.db2.gz GJUNCAUBMKTRRC-UHFFFAOYSA-N -1 0 506.942 5.287 1 0 KKAFRM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000026578939 561803951 /nfs/dbraw/zinc/80/39/51/561803951.db2.gz BVCSSFYDTBHIHO-WJOKGBTCSA-N -1 0 617.706 6.553 1 0 KKAFRM COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000026656452 561809314 /nfs/dbraw/zinc/80/93/14/561809314.db2.gz RNWJDKPVADJMJR-CUBQBAPOSA-N -1 0 591.513 5.024 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(S(C)(=O)=O)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026666375 561811337 /nfs/dbraw/zinc/81/13/37/561811337.db2.gz FCNMXSHYAFVTJJ-HSZRJFAPSA-N -1 0 640.827 7.424 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)CCC(=O)[O-])c3S1 ZINC000026667522 561811586 /nfs/dbraw/zinc/81/15/86/561811586.db2.gz HBFMECPKGYATGF-XMMPIXPASA-N -1 0 625.234 9.454 1 0 KKAFRM COc1cc(OC)cc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000026670878 561812386 /nfs/dbraw/zinc/81/23/86/561812386.db2.gz JPRDUKLJMTUKCJ-BHYZAODMSA-N -1 0 607.490 5.923 1 0 KKAFRM CCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1OC ZINC000026824600 561821745 /nfs/dbraw/zinc/82/17/45/561821745.db2.gz WUNUEBZYLIUGHH-GDLZYMKVSA-N -1 0 542.632 5.536 1 0 KKAFRM COc1ccc(Cn2c3ccc(OCc4ccc(-c5ccccc5)cn4)c4c3c(c2CC(C)(C)C(=O)[O-])S[C@H](C)C4)cc1 ZINC000026674220 561813314 /nfs/dbraw/zinc/81/33/14/561813314.db2.gz UWQLMKJMIAIDFU-HSZRJFAPSA-N -1 0 592.761 8.029 1 0 KKAFRM O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(CCCS(=O)(=O)[O-])c2cc(-c3ccc(F)cc3)ccc12 ZINC000026733766 561817109 /nfs/dbraw/zinc/81/71/09/561817109.db2.gz YMDBPMHYUXTTJV-GDLZYMKVSA-N -1 0 561.660 5.947 1 0 KKAFRM CC(C)=CCC[C@H](C)[C@@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026734208 561817158 /nfs/dbraw/zinc/81/71/58/561817158.db2.gz UZLGCGLUDIIKAU-UKJJDJLKSA-N -1 0 607.732 6.731 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)c1 ZINC000026735787 561817389 /nfs/dbraw/zinc/81/73/89/561817389.db2.gz BWKAZIFKEMSGAP-RRQPQRKYSA-N -1 0 612.648 8.583 1 0 KKAFRM C/C(=C\C(=O)Nc1cccc(F)c1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccccc2)c2ccccc2)c1 ZINC000026740979 561818095 /nfs/dbraw/zinc/81/80/95/561818095.db2.gz QCBLQRCWXTUNIO-ZNTNEXAZSA-N -1 0 562.641 7.704 1 0 KKAFRM CCCCC[C@H](c1ccccc1)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)[O-])ccc21 ZINC000026742596 561818231 /nfs/dbraw/zinc/81/82/31/561818231.db2.gz HWLHIGNKCOTDRM-BHZLPXECSA-N -1 0 538.688 8.097 1 0 KKAFRM CC(C)(Oc1cccc(CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)[O-] ZINC000026744992 561818641 /nfs/dbraw/zinc/81/86/41/561818641.db2.gz YRDLDJLGHRTHHG-UHFFFAOYSA-N -1 0 607.629 7.083 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCC12CCC(CC1)C2(C)C)C(=O)NC[C@@H](NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000026832292 561823221 /nfs/dbraw/zinc/82/32/21/561823221.db2.gz ALVURJLTUSKLGP-JYNTZBAYSA-N -1 0 616.759 5.250 1 0 KKAFRM CCNC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3C(=O)[O-])c(Br)c2c1 ZINC000026835435 561824218 /nfs/dbraw/zinc/82/42/18/561824218.db2.gz NDXGPJCHSGHUDV-UHFFFAOYSA-N -1 0 536.426 5.995 1 0 KKAFRM COc1ccccc1-c1ccc2oc(-c3ccc(OC)c(N4C(=O)c5ccc(C(=O)[O-])cc5C4=O)c3)nc2c1 ZINC000026972052 561830606 /nfs/dbraw/zinc/83/06/06/561830606.db2.gz ZFJHZUAZBGPPQK-UHFFFAOYSA-N -1 0 520.497 5.678 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000026973368 561830680 /nfs/dbraw/zinc/83/06/80/561830680.db2.gz BZHYFMBTEMWGNH-MVSFAKPFSA-N -1 0 620.731 6.277 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000026975337 561830843 /nfs/dbraw/zinc/83/08/43/561830843.db2.gz PNFBECCMNQTCOM-JGUAVLEPSA-N -1 0 529.658 6.677 1 0 KKAFRM O=C([O-])C(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000026994254 561832914 /nfs/dbraw/zinc/83/29/14/561832914.db2.gz LTRHXQYRVVBCAQ-UHFFFAOYSA-N -1 0 526.592 7.158 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc3ccccc3n2)c1 ZINC000026996463 561833404 /nfs/dbraw/zinc/83/34/04/561833404.db2.gz VKKQXEDQCUBPTQ-UHFFFAOYSA-N -1 0 600.697 6.382 1 0 KKAFRM COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)[O-])cc1 ZINC000026996855 561833409 /nfs/dbraw/zinc/83/34/09/561833409.db2.gz VLBPPLSIRHERBB-KQSJXHHFSA-N -1 0 676.857 7.259 1 0 KKAFRM CCc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(SC)cn2)cc1 ZINC000027076662 561834390 /nfs/dbraw/zinc/83/43/90/561834390.db2.gz DMGFBAJASZHOPO-UHFFFAOYSA-N -1 0 579.748 5.774 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)c1 ZINC000027079245 561834739 /nfs/dbraw/zinc/83/47/39/561834739.db2.gz AGPLLYFPTUREDN-UHFFFAOYSA-N -1 0 630.521 5.386 1 0 KKAFRM O=c1[n-]c(=O)n([C@H](CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1 ZINC000027098289 561838250 /nfs/dbraw/zinc/83/82/50/561838250.db2.gz RMUYPFGDFNLDQB-JOCHJYFZSA-N -1 0 538.444 6.381 1 0 KKAFRM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1ccc(CNC(=O)Nc2cccnc2)cc1 ZINC000027105318 561839939 /nfs/dbraw/zinc/83/99/39/561839939.db2.gz SWVPTFKTWPJVPP-BQYQJAHWSA-N -1 0 524.364 5.542 1 0 KKAFRM CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000027107069 561840421 /nfs/dbraw/zinc/84/04/21/561840421.db2.gz GCSUOUQUUOIXEY-BVZFJXPGSA-N -1 0 614.614 6.478 1 0 KKAFRM CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccc1Cl ZINC000027179370 561841447 /nfs/dbraw/zinc/84/14/47/561841447.db2.gz IKNKBOLYHCLBJX-GKVSMKOHSA-N -1 0 649.059 7.132 1 0 KKAFRM CSCC[C@H](NC(=O)c1cc(-c2cccs2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027205482 561845826 /nfs/dbraw/zinc/84/58/26/561845826.db2.gz CYSXUBHZRZNPQO-SANMLTNESA-N -1 0 532.687 6.301 1 0 KKAFRM CCOP(=O)(OCC)[C@H](Cc1cccc(OCC(=O)[O-])c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000027307860 561850070 /nfs/dbraw/zinc/85/00/70/561850070.db2.gz FYUIHAKUXCAIJC-RUZDIDTESA-N -1 0 535.533 7.022 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000027315491 561851503 /nfs/dbraw/zinc/85/15/03/561851503.db2.gz MVEKUOLJKGMOST-SGESLRAXSA-N -1 0 569.702 5.489 1 0 KKAFRM C[C@@H](NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccccc1CC(=O)[O-] ZINC000027327527 561853914 /nfs/dbraw/zinc/85/39/14/561853914.db2.gz LJWVDVWDAOWJAC-HXUWFJFHSA-N -1 0 526.614 5.634 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCCC(=O)[O-])Cc1ccccc1 ZINC000027331990 561855145 /nfs/dbraw/zinc/85/51/45/561855145.db2.gz UZQIDIIZXYPHBH-OWFPOKFNSA-N -1 0 642.797 5.119 1 0 KKAFRM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027517316 561861070 /nfs/dbraw/zinc/86/10/70/561861070.db2.gz AFTMAOKLWIAKGU-HSZRJFAPSA-N -1 0 536.613 5.175 1 0 KKAFRM CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(Oc2ccccc2C(=O)[O-])c1Cc1ccccc1 ZINC000027517569 561861267 /nfs/dbraw/zinc/86/12/67/561861267.db2.gz LTTILCXEKABAIF-UHFFFAOYSA-N -1 0 592.663 8.690 1 0 KKAFRM COC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CO[P@](=O)([O-])C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C ZINC000027518047 561861818 /nfs/dbraw/zinc/86/18/18/561861818.db2.gz MLFUJKCPCHASTE-HCQGNSJHSA-N -1 0 687.881 5.300 1 0 KKAFRM CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1cccc(CCCCC(=O)N(C)C)c1CCC(=O)[O-] ZINC000027518331 561862153 /nfs/dbraw/zinc/86/21/53/561862153.db2.gz XGLFPXLRPLEPPZ-UHFFFAOYSA-N -1 0 565.682 6.427 1 0 KKAFRM C[C@@H](OC[C@@H](c1ccccc1)N1CCN(CCOCC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027518542 561862400 /nfs/dbraw/zinc/86/24/00/561862400.db2.gz VONJODYKTRPIQC-JPYJTQIMSA-N -1 0 548.524 5.262 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CCCCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027518825 561862662 /nfs/dbraw/zinc/86/26/62/561862662.db2.gz DOFTXONOMHAFMC-PMERELPUSA-N -1 0 547.655 6.598 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)OCc3ccccc3)cc2)c2ccccc21 ZINC000027518980 561862739 /nfs/dbraw/zinc/86/27/39/561862739.db2.gz TVOQZEVLAZOKJY-NDEPHWFRSA-N -1 0 563.610 5.319 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c2ccccc21 ZINC000027519757 561863279 /nfs/dbraw/zinc/86/32/79/561863279.db2.gz VMJJAYVWERGZRL-VWLOTQADSA-N -1 0 565.029 5.767 1 0 KKAFRM Cc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)nc1C ZINC000027521595 561864080 /nfs/dbraw/zinc/86/40/80/561864080.db2.gz JKUHAVTVPYKANI-QPKLKHIXSA-N -1 0 529.746 7.758 1 0 KKAFRM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2cccc(F)c2)c(CCOc2ccccc2CC(=O)[O-])c3S1 ZINC000027521374 561864093 /nfs/dbraw/zinc/86/40/93/561864093.db2.gz CAELMPCMIFMYML-SANMLTNESA-N -1 0 658.795 8.755 1 0 KKAFRM Cc1ccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)nc1C(C)C ZINC000027523361 561864956 /nfs/dbraw/zinc/86/49/56/561864956.db2.gz BPSQDOLGQQVYNF-NSQLZQESSA-N -1 0 557.800 8.573 1 0 KKAFRM CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000027552221 561868339 /nfs/dbraw/zinc/86/83/39/561868339.db2.gz IGATXWPIMVWZBU-LAJGZZDBSA-N -1 0 539.694 5.603 1 0 KKAFRM CCC/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000027554909 561869229 /nfs/dbraw/zinc/86/92/29/561869229.db2.gz ZCDGGGMLNYNTDX-SOYKGTTHSA-N -1 0 608.685 8.623 1 0 KKAFRM CC(C)/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(c2ccc(F)cc2)c2ccc(F)cc2)c1 ZINC000027557135 561869770 /nfs/dbraw/zinc/86/97/70/561869770.db2.gz JXLSHXGIUBWBFN-UQRQXUALSA-N -1 0 608.685 8.479 1 0 KKAFRM CCC/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C(CCC)CCC)c1 ZINC000027560789 561870557 /nfs/dbraw/zinc/87/05/57/561870557.db2.gz WTDHGSRUQIBYOC-GHVJWSGMSA-N -1 0 504.671 7.848 1 0 KKAFRM COC1CCC(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)[O-])c4cccnc4)cc3)n2)CC1 ZINC000027622141 561872638 /nfs/dbraw/zinc/87/26/38/561872638.db2.gz UASKRIFPIWYGAQ-HIUVJMHLSA-N -1 0 545.680 6.529 1 0 KKAFRM C[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-] ZINC000027634815 561874327 /nfs/dbraw/zinc/87/43/27/561874327.db2.gz CNQMAXYHMXMACY-QMMMGPOBSA-N -1 0 649.988 5.262 1 0 KKAFRM CC(C)c1sc(-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000027628571 561873463 /nfs/dbraw/zinc/87/34/63/561873463.db2.gz PFAXPTGCEKXRRF-LKWCPCFXSA-N -1 0 504.570 6.824 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000027638932 561874966 /nfs/dbraw/zinc/87/49/66/561874966.db2.gz KFABCERTYDVMHN-UHFFFAOYSA-N -1 0 510.200 7.628 1 0 KKAFRM O=C([O-])CCCCCCCCCCCNC(=O)CCCCCCCCCCCNC(=O)COc1c2ccccc2[nH]c1-c1cc2ccccc2[nH]1 ZINC000027650693 561876493 /nfs/dbraw/zinc/87/64/93/561876493.db2.gz MSVPBWTYYSJNIV-UHFFFAOYSA-N -1 0 700.965 9.814 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)Cc3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000027653754 561877019 /nfs/dbraw/zinc/87/70/19/561877019.db2.gz NJDCRLBKVYXTEP-AXKGECBGSA-N -1 0 658.604 5.227 1 0 KKAFRM COc1ccc2c(c1OCCc1ccccc1)C[C@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000027657670 561878202 /nfs/dbraw/zinc/87/82/02/561878202.db2.gz FHPFOZINLKCVGP-MUUNZHRXSA-N -1 0 521.613 5.487 1 0 KKAFRM CCCCc1nnc(SCc2ccc3ccccc3c2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027707748 561879127 /nfs/dbraw/zinc/87/91/27/561879127.db2.gz ZSPXHRNCRWZZCF-UHFFFAOYSA-N -1 0 550.684 7.065 1 0 KKAFRM CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000027708730 561879323 /nfs/dbraw/zinc/87/93/23/561879323.db2.gz PUZLVFWWIPCNFL-IGKIAQTJSA-N -1 0 507.675 6.319 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)S(=O)(=O)[O-] ZINC000027722821 561880718 /nfs/dbraw/zinc/88/07/18/561880718.db2.gz BIGLRRPOZQRLMH-QFOGVFCWSA-N -1 0 636.785 8.110 1 0 KKAFRM O=C([O-])[C@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)C1CCCC1 ZINC000027726491 561881013 /nfs/dbraw/zinc/88/10/13/561881013.db2.gz ZDZCXHFHUVCTJE-LJQANCHMSA-N -1 0 700.138 6.310 1 0 KKAFRM CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)NCCCCCCC(=O)[N-]S2(=O)=O ZINC000027728132 561881128 /nfs/dbraw/zinc/88/11/28/561881128.db2.gz LHHYXHQSEZMEMS-UHFFFAOYSA-N -1 0 600.785 7.038 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@H](O)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1C)C(=O)[O-] ZINC000027765092 561884511 /nfs/dbraw/zinc/88/45/11/561884511.db2.gz DCDYIJATVKPDDB-IHYOSOLJSA-N -1 0 610.820 7.413 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C=C/c2ccc(Oc3ccccc3)nc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027765948 561884622 /nfs/dbraw/zinc/88/46/22/561884622.db2.gz VNGJGARSHMJYAY-SYJLOCQFSA-N -1 0 538.669 6.956 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(/C(=C\c2cccnc2)C(=O)OC(C)(C)C)cc1-c1ccccc1C)C(=O)[O-] ZINC000027845154 561885399 /nfs/dbraw/zinc/88/53/99/561885399.db2.gz UQRQADYTKHCQGV-CSJROMOCSA-N -1 0 546.689 5.875 1 0 KKAFRM O=C([O-])CCCC(=O)Nc1ccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000027861767 561887131 /nfs/dbraw/zinc/88/71/31/561887131.db2.gz BQMGHRJGOJVEFU-MGBGTMOVSA-N -1 0 591.620 6.138 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCN(C)CC2)nc1OCCOc1ncc(Br)cn1 ZINC000027902739 561891046 /nfs/dbraw/zinc/89/10/46/561891046.db2.gz NMHKNNATZNLGSX-UHFFFAOYSA-N -1 0 728.670 5.138 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@@H](CCC(=O)[O-])CC3)ccc(-c2cscn2)c1OC ZINC000027979782 561891594 /nfs/dbraw/zinc/89/15/94/561891594.db2.gz QXRBKLSXANWSNZ-JOCHJYFZSA-N -1 0 553.721 7.130 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(-c3cccs3)nc2OCCOc2ncc(Br)cn2)cc1 ZINC000027983383 561891932 /nfs/dbraw/zinc/89/19/32/561891932.db2.gz GOFLEZZSYRHWQC-UHFFFAOYSA-N -1 0 680.650 7.289 1 0 KKAFRM CCOC(=O)c1c([O-])c2ccc(Oc3nc4c(c(CC)nn4-c4cc(Cl)cc(Cl)c4)c(N)n3)cc2oc1=O ZINC000027983986 561892096 /nfs/dbraw/zinc/89/20/96/561892096.db2.gz NBYMRPMDYRBQFR-UHFFFAOYSA-N -1 0 556.362 5.048 1 0 KKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@@H](CC(=O)NCCc2ccccc2Cl)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991421 561893074 /nfs/dbraw/zinc/89/30/74/561893074.db2.gz PFGBHWSQDVOTAD-AARCXHMLSA-N -1 0 637.242 7.765 1 0 KKAFRM CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1O[C@@H](CCC(=O)[O-])CC2 ZINC000027996391 561893942 /nfs/dbraw/zinc/89/39/42/561893942.db2.gz JWDJNOGKHNAJHU-HSZRJFAPSA-N -1 0 565.732 7.130 1 0 KKAFRM CCCC[C@@H](C(=O)[O-])n1c(=O)n(CC(=O)NCCc2ccccc2Cl)cc1-c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027999459 561894443 /nfs/dbraw/zinc/89/44/43/561894443.db2.gz MHRJQAXWNGRMRC-PMERELPUSA-N -1 0 618.174 7.235 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C2CC2)nc1OCCNS(=O)(=O)c1ccc(C)cc1 ZINC000028019368 561898128 /nfs/dbraw/zinc/89/81/28/561898128.db2.gz YIAMEKMEHNLSQG-UHFFFAOYSA-N -1 0 666.822 5.919 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N[C@H]2CCCc3ccccc32)nc1C(=O)[O-] ZINC000028088482 561899577 /nfs/dbraw/zinc/89/95/77/561899577.db2.gz LMXDEICEQNKLIC-GMQQYTKMSA-N -1 0 585.705 5.364 1 0 KKAFRM O=C([O-])C[C@H]1CCCc2c3cc(F)ccc3n(Cc3cccc(OCCCCCc4cccnc4)c3)c21 ZINC000028094341 561900538 /nfs/dbraw/zinc/90/05/38/561900538.db2.gz IQLGXPIWWVPPBC-XMMPIXPASA-N -1 0 500.614 6.910 1 0 KKAFRM COc1cccc(Oc2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2nccc3ccccc32)c1 ZINC000028110677 561902987 /nfs/dbraw/zinc/90/29/87/561902987.db2.gz JDHSFXFMHUGRGV-UHFFFAOYSA-N -1 0 600.697 6.382 1 0 KKAFRM CC(C)(c1nc(-c2ccccc2)c(C(=O)OCC(F)(F)F)s1)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl ZINC000028116030 561903774 /nfs/dbraw/zinc/90/37/74/561903774.db2.gz KOEBCWIKFPWSRI-UHFFFAOYSA-N -1 0 585.391 5.396 1 0 KKAFRM CC[C@H](Oc1ccccc1Cc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC(F)(F)F)cc12)C(=O)[O-] ZINC000028120705 561904524 /nfs/dbraw/zinc/90/45/24/561904524.db2.gz CHGUIFODGMMMKV-VWLOTQADSA-N -1 0 541.522 6.378 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccccc4F)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028122957 561904623 /nfs/dbraw/zinc/90/46/23/561904623.db2.gz MBVFJVIAKSHYIA-UHFFFAOYSA-N -1 0 544.041 8.917 1 0 KKAFRM CC(C)c1ccc2c(c1)c(Cc1ccc(C(C)(C)C)cc1)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000028130413 561905694 /nfs/dbraw/zinc/90/56/94/561905694.db2.gz OUVIHOCKMYAAJK-UHFFFAOYSA-N -1 0 530.152 9.008 1 0 KKAFRM CC(C)CN(C(=O)/C=C/c1ccccc1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028132474 561905877 /nfs/dbraw/zinc/90/58/77/561905877.db2.gz LVIQWNBYDAOGAI-REWYKRGBSA-N -1 0 615.557 8.359 1 0 KKAFRM Cc1c2cc(-c3ccc(-c4ccccc4C)c(F)c3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000028135431 561906445 /nfs/dbraw/zinc/90/64/45/561906445.db2.gz IYCJVTFMIQICDJ-UHFFFAOYSA-N -1 0 540.078 9.086 1 0 in-vitro KKAFRM Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](CSCc4ccccc4)C(=O)[O-])CCCC3)cc2)c1 ZINC000028218867 561907200 /nfs/dbraw/zinc/90/72/00/561907200.db2.gz VTWGQBUQUOIHSR-MUUNZHRXSA-N -1 0 560.716 5.679 1 0 KKAFRM O=C([O-])CCc1ccccc1C(=O)N1c2ccccc2C[C@H]1c1nc(C(=O)NCCc2ccc(Cl)cc2)co1 ZINC000028253778 561911319 /nfs/dbraw/zinc/91/13/19/561911319.db2.gz NMYXXRFCOSJMNR-SANMLTNESA-N -1 0 544.007 5.262 1 0 KKAFRM CC(C)(C)C(=O)N(Cc1ccccc1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028336968 561913464 /nfs/dbraw/zinc/91/34/64/561913464.db2.gz ONPSCSQTOAOZKE-MHZLTWQESA-N -1 0 603.546 8.236 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@@H](C(=O)[O-])C3)c2)cc1C(F)(F)F ZINC000028344663 561914627 /nfs/dbraw/zinc/91/46/27/561914627.db2.gz SKCJPAKVOZQNSP-HXUWFJFHSA-N -1 0 500.586 7.343 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)c1cccc(NC(=O)Cc2ccccc2)c1 ZINC000028347490 561915094 /nfs/dbraw/zinc/91/50/94/561915094.db2.gz SHQJLABRHHEFDM-DEOSSOPVSA-N -1 0 547.438 6.838 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])ccc1OC(C)C ZINC000028356179 561916184 /nfs/dbraw/zinc/91/61/84/561916184.db2.gz QFKSUZWCKIXRSF-RUZDIDTESA-N -1 0 627.609 8.479 1 0 KKAFRM C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4Cc5nn(Cc6cccc(O)c6)cc5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000028362403 561917061 /nfs/dbraw/zinc/91/70/61/561917061.db2.gz FNHQXWQXKBFUCM-YSUMCVGYSA-N -1 0 561.767 5.828 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(CCNC(=O)CCCC(=O)[O-])c2)cc1 ZINC000028364045 561917220 /nfs/dbraw/zinc/91/72/20/561917220.db2.gz SAEWPTKEQAOOEK-UHFFFAOYSA-N -1 0 629.779 6.279 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)NCCCC(=O)[O-])cc2)cc1 ZINC000028364648 561917321 /nfs/dbraw/zinc/91/73/21/561917321.db2.gz GKPIXRSGSZCXGX-UHFFFAOYSA-N -1 0 643.806 6.669 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(CCCC(=O)[O-])cc1)Cc1ccc(Oc2ccccc2)cc1 ZINC000028381306 561920123 /nfs/dbraw/zinc/92/01/23/561920123.db2.gz QLMXVPQKCVQWCG-UHFFFAOYSA-N -1 0 558.700 6.773 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000028346312 561914926 /nfs/dbraw/zinc/91/49/26/561914926.db2.gz KVAJQTDLSYOZKU-CJGROPTRSA-N -1 0 535.607 7.751 1 0 KKAFRM CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1)C(=O)[O-] ZINC000028458603 561924514 /nfs/dbraw/zinc/92/45/14/561924514.db2.gz LBBPJNWJEYJGRW-QHCPKHFHSA-N -1 0 506.580 5.130 1 0 KKAFRM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)cc1)C(=O)[O-] ZINC000028460353 561925022 /nfs/dbraw/zinc/92/50/22/561925022.db2.gz VEGFRWXANMWHRA-DEOSSOPVSA-N -1 0 526.998 5.393 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3nc4cccnc4n3Cc3ccccc3)cc2)cc1 ZINC000028467357 561926235 /nfs/dbraw/zinc/92/62/35/561926235.db2.gz LXRNRFWPLPOQRD-WJOKGBTCSA-N -1 0 525.608 6.888 1 0 KKAFRM COc1ccc(-c2ccc(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)[O-])CC4)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)cc2)cc1 ZINC000028471765 561927045 /nfs/dbraw/zinc/92/70/45/561927045.db2.gz BSBRTBGCGXZSRC-ZJSCAOHWSA-N -1 0 674.835 5.755 1 0 KKAFRM COc1ccc2c(c1)onc2-n1c(C)c(Cc2cc(O[C@H](C)C(=O)[O-])ccc2Cl)c2cc(OC(F)(F)F)ccc21 ZINC000028475539 561927953 /nfs/dbraw/zinc/92/79/53/561927953.db2.gz QRGIUBNDZNAVAU-OAHLLOKOSA-N -1 0 574.939 7.083 1 0 KKAFRM CC(=O)Nc1cccc(-c2cccc(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)[O-])CC4)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)c2)c1 ZINC000028477653 561928473 /nfs/dbraw/zinc/92/84/73/561928473.db2.gz KVTOHOKDPIIWMQ-OUGXNNMQSA-N -1 0 701.861 5.705 1 0 KKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3Cl)o2)cs1 ZINC000028525090 561931103 /nfs/dbraw/zinc/93/11/03/561931103.db2.gz XTLGQPKKJVNXGW-UHFFFAOYSA-N -1 0 507.782 6.910 1 0 KKAFRM O=C([O-])c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000028526210 561931999 /nfs/dbraw/zinc/93/19/99/561931999.db2.gz QCGPMBNKFXKERT-MFGGKWOPSA-N -1 0 619.722 5.187 1 0 KKAFRM Cc1c2ccccc2oc1C(=O)Oc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)cc1 ZINC000028563964 561935515 /nfs/dbraw/zinc/93/55/15/561935515.db2.gz CDQWPWXRHWRQEJ-XMMPIXPASA-N -1 0 507.564 5.015 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2cccc(Cl)c2n1C(c1ccccc1)c1ccccc1 ZINC000028567527 561936646 /nfs/dbraw/zinc/93/66/46/561936646.db2.gz UUNXYWXFXDZTLF-UHFFFAOYSA-N -1 0 544.072 6.955 1 0 KKAFRM CC[C@H](C(=O)[O-])[C@H]1CCc2cc(OCCc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)oc3C)ccc21 ZINC000028567824 561936992 /nfs/dbraw/zinc/93/69/92/561936992.db2.gz FCJIZDBDUYVVGN-RBBKRZOGSA-N -1 0 541.488 7.450 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2ccc(C(C)(C)C)c(O/C=C/C(=O)[O-])c2C(C)(C)C)cc(C(C)(C)C)c1O ZINC000028637668 561941853 /nfs/dbraw/zinc/94/18/53/561941853.db2.gz MFYAYFQPCLYWRL-ISLYRVAYSA-N -1 0 586.904 10.180 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2ccc(C(C)(C)C)c(OCCC(=O)[O-])c2C(C)(C)C)cc(C(C)(C)C)c1O ZINC000028638399 561942145 /nfs/dbraw/zinc/94/21/45/561942145.db2.gz ODECWDFIGMEPBN-UHFFFAOYSA-N -1 0 588.920 10.056 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2ccc(C(C)(C)C)c(OCCCCC(=O)[O-])c2C(C)(C)C)cc(C(C)(C)C)c1O ZINC000028638724 561942347 /nfs/dbraw/zinc/94/23/47/561942347.db2.gz KJEVYZVDMICXOA-UHFFFAOYSA-N -1 0 616.974 10.836 1 0 KKAFRM C[C@@H]1CCC[C@@H]1C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000028655811 561946703 /nfs/dbraw/zinc/94/67/03/561946703.db2.gz ZRUPEKXQFRVJGS-YKSBVNFPSA-N -1 0 544.652 5.555 1 0 KKAFRM CCCC(=O)c1ccc(O[C@H](COc2ccc(C(F)(F)F)cc2)CSc2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000028704681 561948777 /nfs/dbraw/zinc/94/87/77/561948777.db2.gz 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DCDJQVPDQHYOFS-UHFFFAOYSA-N -1 0 562.667 5.459 1 0 KKAFRM COc1c(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000029123523 561996853 /nfs/dbraw/zinc/99/68/53/561996853.db2.gz VLEIERDKQXJGGW-SANMLTNESA-N -1 0 562.041 5.747 1 0 KKAFRM Cc1cc(C)nc([N-]c2nc3ccc(C(=O)Nc4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)cc3s2)n1 ZINC000029126243 561998525 /nfs/dbraw/zinc/99/85/25/561998525.db2.gz SQMDAAPRGKYVOH-UHFFFAOYSA-N -1 0 576.604 7.279 1 0 KKAFRM O=C([O-])c1nc(CN(C2CCCCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1-c1ccc(-c2ccccc2)cc1 ZINC000029128511 562001028 /nfs/dbraw/zinc/00/10/28/562001028.db2.gz BKZFFKRGZUEAKP-UHFFFAOYSA-N -1 0 584.525 7.272 1 0 KKAFRM O=C([O-])c1nc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1-c1ccc2ccccc2c1 ZINC000029128624 562001119 /nfs/dbraw/zinc/00/11/19/562001119.db2.gz JUXXAPVQZFLAQY-FQEVSTJZSA-N -1 0 533.458 6.494 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000029130600 562002701 /nfs/dbraw/zinc/00/27/01/562002701.db2.gz NAVPQFUKCFHYAR-UHFFFAOYSA-N -1 0 732.129 9.634 1 0 KKAFRM CCCCCc1c(Cc2cccnc2)cc2c(c1CCC(=O)[O-])CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000029205722 562005055 /nfs/dbraw/zinc/00/50/55/562005055.db2.gz GYKDNNYKLMAXGA-RUZDIDTESA-N -1 0 555.140 5.912 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029210393 562005687 /nfs/dbraw/zinc/00/56/87/562005687.db2.gz JWDCXDPQLHRBFQ-WUFINQPMSA-N -1 0 691.697 5.587 1 0 KKAFRM CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])CSc1ccc2ccccc2n1 ZINC000029214076 562006224 /nfs/dbraw/zinc/00/62/24/562006224.db2.gz WATNMHGSJFUVDX-JOMNFKBKSA-N -1 0 636.799 7.122 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000029215356 562006419 /nfs/dbraw/zinc/00/64/19/562006419.db2.gz IDKSGHOHJZZRDZ-JJKGTWHISA-N -1 0 668.618 6.850 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc21 ZINC000029216370 562006466 /nfs/dbraw/zinc/00/64/66/562006466.db2.gz SAEQKQVPZNTBGL-KYJUHHDHSA-N -1 0 695.644 6.196 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000029217405 562006706 /nfs/dbraw/zinc/00/67/06/562006706.db2.gz OQUSFOUBOFXZKU-JWQCQUIFSA-N -1 0 622.977 5.520 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000029217904 562006826 /nfs/dbraw/zinc/00/68/26/562006826.db2.gz DXEVDZMNAQUVMY-DYIKCSJPSA-N -1 0 699.676 5.598 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000029221400 562007253 /nfs/dbraw/zinc/00/72/53/562007253.db2.gz HWZYIXBTTTVXCF-SJPWSNGQSA-N -1 0 705.724 5.880 1 0 KKAFRM O=C([O-])CCCn1cc(C(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)c2ccccc21 ZINC000029324161 562013309 /nfs/dbraw/zinc/01/33/09/562013309.db2.gz MNNZOPPYPYHVLI-UHFFFAOYSA-N -1 0 503.554 6.410 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1cc(Cc2ccccc2)ncn1 ZINC000029328795 562013633 /nfs/dbraw/zinc/01/36/33/562013633.db2.gz JYJPAGKEGSTXHZ-QFIPXVFZSA-N -1 0 522.392 5.129 1 0 KKAFRM CC[C@H](OC(=O)c1cccnc1)c1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1nccs1 ZINC000029235226 562009610 /nfs/dbraw/zinc/00/96/10/562009610.db2.gz BWMWUEBXRXZHBR-HNNXBMFYSA-N -1 0 502.474 5.371 1 0 KKAFRM Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1CCOc1ccc(C[C@@H]2OC(=O)[N-]C2=O)cc1 ZINC000029331395 562013896 /nfs/dbraw/zinc/01/38/96/562013896.db2.gz SIIVSOMWVRSLHN-IBGZPJMESA-N -1 0 528.405 5.487 1 0 KKAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(OCc2ccccc2)c1 ZINC000029251662 562011246 /nfs/dbraw/zinc/01/12/46/562011246.db2.gz PYNCHZOAMKYGTR-RWSKJCERSA-N -1 0 552.627 6.196 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(CN(CCc1ccccc1)C(=O)CCC(=O)[O-])NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000029308376 562011748 /nfs/dbraw/zinc/01/17/48/562011748.db2.gz GMZUVGKFYTVNAM-NJNTUAONSA-N -1 0 585.745 5.956 1 0 KKAFRM O=Cc1ccc(C2(C(F)(F)F)N=N2)cc1OCCCCCCCC/C=C/CCCCCCCC(=O)[O-] ZINC000029310847 562012014 /nfs/dbraw/zinc/01/20/14/562012014.db2.gz VCRAGHVLCXHHCL-OWOJBTEDSA-N -1 0 510.597 8.161 1 0 KKAFRM COC[C@@H](C)Cc1cc(OC)ccc1[C@@H]1c2nc(NC(C)C)ccc2[C@H](c2ccc3c(c2)OCO3)[C@H]1C(=O)[O-] ZINC000029318884 562012719 /nfs/dbraw/zinc/01/27/19/562012719.db2.gz HWNXCQQEFQWPHX-PLKLNDPRSA-N -1 0 532.637 5.442 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3nccs3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000029335686 562014281 /nfs/dbraw/zinc/01/42/81/562014281.db2.gz XTZOFFBASUTOMA-UHFFFAOYSA-N -1 0 543.154 7.922 1 0 KKAFRM COC(=O)C(=O)O[C@H]1CC/C(C)=C\CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2C(=O)[O-])C1 ZINC000029403587 562020317 /nfs/dbraw/zinc/02/03/17/562020317.db2.gz DUVJAQMZHPJJOW-CKSMOQTFSA-N -1 0 540.741 7.495 1 0 KKAFRM CCCCCCOc1ccccc1[C@H](Oc1ccc(Cn2c(CCC)nc3c2nccc3C)cc1)C(=O)[O-] ZINC000029339927 562015002 /nfs/dbraw/zinc/01/50/02/562015002.db2.gz SSVGDFLGOLHOEM-LJAQVGFWSA-N -1 0 515.654 6.904 1 0 KKAFRM C[C@@H](CC(F)(F)F)c1csc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)n1 ZINC000029342922 562015575 /nfs/dbraw/zinc/01/55/75/562015575.db2.gz HMYDQFIFEYRCEM-NRAIZFMOSA-N -1 0 617.799 9.259 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3ccccc3s2)c1 ZINC000029342883 562015604 /nfs/dbraw/zinc/01/56/04/562015604.db2.gz VFWFVRBPVOFIKB-ZUMFDBBVSA-N -1 0 557.781 8.356 1 0 KKAFRM COc1cc([C@@H]2Oc3cc(-c4oc5cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c5c(=O)c4O)ccc3O[C@H]2CO)ccc1O ZINC000029347942 562016626 /nfs/dbraw/zinc/01/66/26/562016626.db2.gz DOIVJLSCACGVGR-FJLYZTKFSA-N -1 0 616.663 6.400 1 0 KKAFRM CC(C)C[C@@H](Oc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1)C(=O)[O-] ZINC000029411309 562021778 /nfs/dbraw/zinc/02/17/78/562021778.db2.gz CQSBCORKPVKJDY-MUUNZHRXSA-N -1 0 550.438 7.820 1 0 aggregator KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCCCOc1cc2c(cc1Br)CC[C@@H](C(=O)[O-])O2 ZINC000029546599 562029949 /nfs/dbraw/zinc/02/99/49/562029949.db2.gz CUGACTHDKBZJSV-QFIPXVFZSA-N -1 0 535.431 5.716 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1 ZINC000029561856 562033506 /nfs/dbraw/zinc/03/35/06/562033506.db2.gz STKBASKYRYYRSC-WGOQTCKBSA-N -1 0 529.681 7.294 1 0 KKAFRM C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000033505321 562037412 /nfs/dbraw/zinc/03/74/12/562037412.db2.gz ZUYRZWMQKAAKDO-SFHVURJKSA-N -1 0 514.582 5.186 1 0 KKAFRM O=C(Nc1ccc2ccccc2c1)[C@@H](c1csc2ccc(Cl)cc21)[P@@](=O)([O-])CCc1ccccc1 ZINC000034471490 562038971 /nfs/dbraw/zinc/03/89/71/562038971.db2.gz PRNSPHBMPVHQDP-HHHXNRCGSA-N -1 0 519.990 7.901 1 0 KKAFRM CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)[O-])c(F)c3)c(C)c2)cc1C)CC ZINC000034776845 562040541 /nfs/dbraw/zinc/04/05/41/562040541.db2.gz OYHRZXZHKCPIPZ-ISLYRVAYSA-N -1 0 516.697 8.407 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(c2ccccc2)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799737 562040639 /nfs/dbraw/zinc/04/06/39/562040639.db2.gz UCQDOECKWCPDTC-JHOUSYSJSA-N -1 0 651.756 6.598 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C)C)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799807 562040758 /nfs/dbraw/zinc/04/07/58/562040758.db2.gz NDOCMFOFQQGROG-PTVSMQAKSA-N -1 0 707.817 6.231 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)OCC(=O)[O-])CC[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 ZINC000035570534 562045207 /nfs/dbraw/zinc/04/52/07/562045207.db2.gz PWSMDEUHKJXBGS-BVTDWMCNSA-N -1 0 514.747 6.777 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCC(F)(F)CC2)c(C)c1 ZINC000035836750 562045518 /nfs/dbraw/zinc/04/55/18/562045518.db2.gz KMJGFTATOAQJQV-VWLOTQADSA-N -1 0 523.580 6.418 1 0 KKAFRM CCCCc1ncc(/C=C2/C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 ZINC000036222424 562051658 /nfs/dbraw/zinc/05/16/58/562051658.db2.gz QWDAOLJZTCHRAW-ITYLOYPMSA-N -1 0 514.626 5.420 1 0 KKAFRM C[C@@H](CC(=O)[O-])SCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1 ZINC000036222770 562051774 /nfs/dbraw/zinc/05/17/74/562051774.db2.gz ULSOCMANROLXHS-XZOQPEGZSA-N -1 0 629.247 9.117 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)ccc1O[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000036238190 562051874 /nfs/dbraw/zinc/05/18/74/562051874.db2.gz CLHVJDANODTXIQ-HHHXNRCGSA-N -1 0 501.583 5.545 1 0 KKAFRM CCCc1nc2c(n1Cc1ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)c(F)c1)C(=O)CCCC2 ZINC000036238170 562051881 /nfs/dbraw/zinc/05/18/81/562051881.db2.gz WJGSUHRNYRVLRY-UHFFFAOYSA-N -1 0 550.656 6.005 1 0 KKAFRM CCNC(=O)c1ccccc1CC[C@H](SC[C@H](CC)C(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268461 562052524 /nfs/dbraw/zinc/05/25/24/562052524.db2.gz XTIBDWYDLHORPE-UGDMGKLASA-N -1 0 591.173 7.735 1 0 KKAFRM CC[C@H](CS[C@@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268454 562052559 /nfs/dbraw/zinc/05/25/59/562052559.db2.gz QVCMBMYBGUPCRP-OLILMLBXSA-N -1 0 588.133 7.165 1 0 KKAFRM COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)[O-])C(=O)NCCc3c4ccccc4[nH]c3-c3ccccc3)c2c1 ZINC000036338707 562057134 /nfs/dbraw/zinc/05/71/34/562057134.db2.gz TUBKAIHRCSUYRI-YTTGMZPUSA-N -1 0 608.739 6.055 1 0 KKAFRM O=C([O-])Cc1ccc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1 ZINC000037866913 562062280 /nfs/dbraw/zinc/06/22/80/562062280.db2.gz SZHPFMIWQSAUEO-UHFFFAOYSA-N -1 0 580.977 9.631 1 0 KKAFRM O=C([O-])Cc1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1 ZINC000037866915 562062307 /nfs/dbraw/zinc/06/23/07/562062307.db2.gz SPZGGRYUPKOGOI-UHFFFAOYSA-N -1 0 564.909 8.918 1 0 KKAFRM COc1cc(/C=C/Cc2ccccc2/C=C/C(=O)[N-]S(=O)(=O)c2cccs2)ccc1OCc1ccccc1 ZINC000036349288 562057991 /nfs/dbraw/zinc/05/79/91/562057991.db2.gz LLYRAKUTPUBVDD-REFRTJCBSA-N -1 0 545.682 6.110 1 0 KKAFRM Cc1ccc(OCc2ccccc2)c(/C=C/Cc2ccccc2/C=C/C(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000036349301 562058006 /nfs/dbraw/zinc/05/80/06/562058006.db2.gz VKSVQVYACBUCLQ-AEVILUGTSA-N -1 0 529.683 6.410 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3cccc(F)c3)c3cccc(F)c3)cc1)n2C1CCCCC1 ZINC000036350369 562058085 /nfs/dbraw/zinc/05/80/85/562058085.db2.gz RNWUCRWMKUMFMS-UHFFFAOYSA-N -1 0 538.594 8.353 1 0 KKAFRM Cc1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)cc1 ZINC000036350441 562058250 /nfs/dbraw/zinc/05/82/50/562058250.db2.gz YFVKICOQRQSENA-UHFFFAOYSA-N -1 0 551.086 9.115 1 0 KKAFRM NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)cc2)c1 ZINC000036350432 562058252 /nfs/dbraw/zinc/05/82/52/562058252.db2.gz PEORIWUYJQYMKR-UHFFFAOYSA-N -1 0 616.139 7.454 1 0 KKAFRM CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@H](COc1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000038149590 562065978 /nfs/dbraw/zinc/06/59/78/562065978.db2.gz FJTZZSUSVZOHJU-XMMPIXPASA-N -1 0 589.960 7.316 1 0 KKAFRM C[C@H](CSCc1c2c3c(ccc(OCc4ccc(-c5ccccc5)cn4)c3C[C@@H](C)S2)n1Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000038158070 562070025 /nfs/dbraw/zinc/07/00/25/562070025.db2.gz VXDOAROXLMDCAF-DHIUTWEWSA-N -1 0 629.247 8.975 1 0 KKAFRM O=C([O-])[C@H](Cc1c[nH]c2ccc(C3N=NN=N3)cc12)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000038320305 562070850 /nfs/dbraw/zinc/07/08/50/562070850.db2.gz BAEXDOPIQFESFD-VWLOTQADSA-N -1 0 564.606 6.540 1 0 KKAFRM O=C([O-])CCNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377654 562071635 /nfs/dbraw/zinc/07/16/35/562071635.db2.gz MXZSBXTUYOFCRV-GOTSBHOMSA-N -1 0 652.272 5.066 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccc(Cl)cc2)[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040379312 562073322 /nfs/dbraw/zinc/07/33/22/562073322.db2.gz DHHBDJLDUWSXEL-LYSGITKLSA-N -1 0 518.393 5.168 1 0 KKAFRM CCC[C@H](C(=O)[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000040764085 562079559 /nfs/dbraw/zinc/07/95/59/562079559.db2.gz ZNQUFHMWLGIMLH-VJGNERBWSA-N -1 0 508.659 5.639 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2Cl)[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040846360 562080289 /nfs/dbraw/zinc/08/02/89/562080289.db2.gz RLUGERPKNITYPU-CLNPQZTCSA-N -1 0 518.393 5.168 1 0 KKAFRM Cc1cc2ccccc2nc1OCc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)cc1 ZINC000040880088 562082473 /nfs/dbraw/zinc/08/24/73/562082473.db2.gz CIOOPYAGXLBCTE-AREMUKBSSA-N -1 0 504.608 5.177 1 0 KKAFRM O=C(COc1cccc2[nH]cc(Sc3ccccc3)c21)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000040874586 562081927 /nfs/dbraw/zinc/08/19/27/562081927.db2.gz AGISCJRTWDREIL-UHFFFAOYSA-N -1 0 513.449 5.571 1 0 KKAFRM C[C@@H](C(=O)[O-])c1cccc2ccc(OCCCCOc3ccc(CC(=O)NCCc4ccccc4)cc3)cc21 ZINC000040893676 562082917 /nfs/dbraw/zinc/08/29/17/562082917.db2.gz WLFQAMYJASRCCU-XMMPIXPASA-N -1 0 525.645 6.167 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C(=O)[O-])C2CCC(=O)CC2)c(C)c1 ZINC000040900462 562083372 /nfs/dbraw/zinc/08/33/72/562083372.db2.gz LDMYDNLCENLSDU-AREMUKBSSA-N -1 0 501.583 5.351 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](CCCC(F)(F)F)C(=O)[O-])c(C)c1 ZINC000040933200 562084576 /nfs/dbraw/zinc/08/45/76/562084576.db2.gz LKYWLZDWXVGLMW-OAQYLSRUSA-N -1 0 515.532 6.325 1 0 KKAFRM Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COc3ccc(C(=O)[O-])cc3)cc2o1 ZINC000040934577 562084866 /nfs/dbraw/zinc/08/48/66/562084866.db2.gz FBKITRIRLKVKDU-SFTDATJTSA-N -1 0 503.530 5.139 1 0 KKAFRM Cc1c(C(=O)[N-]C(=O)OCc2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040943513 562085755 /nfs/dbraw/zinc/08/57/55/562085755.db2.gz SMQCNAHRMYUWNS-UHFFFAOYSA-N -1 0 514.796 6.875 1 0 KKAFRM C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6C(=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000042804028 562088623 /nfs/dbraw/zinc/08/86/23/562088623.db2.gz JCAWAUOAMXNNAV-DHEXBYIXSA-N -1 0 574.846 9.588 1 0 KKAFRM O=C([O-])[C@@H]1CC=C2CC[C@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CCC[C@H](O)C3)[C@@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000103576435 560051842 /nfs/dbraw/zinc/05/18/42/560051842.db2.gz CIRCGQLPFOQHFB-UUJQBVEXSA-N -1 0 596.852 9.183 1 0 biogenic,in-vitro KKAFRM COc1cc2c(c(O)c1Oc1ccc(-c3cc(=O)c4c(O)c(C)c([O-])cc4o3)cc1)C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC000085916151 560066376 /nfs/dbraw/zinc/06/63/76/560066376.db2.gz QNXAIIZZUIKOEY-HSZRJFAPSA-N -1 0 568.534 6.098 1 0 biogenic,in-vitro KKAFRM C[C@@H]1[C@@]23CO[C@@]1(O)C[C@]14C=CC[C@]5([C@H](CC1)C[C@@]1(C)[C@@H]6C[C@](C)(C(=O)[O-])CC[C@]6(C)CC[C@]1(C)[C@H]5CC2)[C@@H]34 ZINC000085530811 560073396 /nfs/dbraw/zinc/07/33/96/560073396.db2.gz CFOIPGAZVIJTKO-OSPYSNPBSA-N -1 0 522.770 7.208 1 0 biogenic,in-vitro KKAFRM CCC[C@H]1[C@]2(O)C[C@H](O)[C@]3(CO)[C@]1(CO2)CC[C@@H]1[C@@]2(C)CC[C@@]4(C)CC[C@@](C)(C(=O)[O-])C[C@H]4[C@]2(C)CC[C@]13C ZINC000085530662 560073430 /nfs/dbraw/zinc/07/34/30/560073430.db2.gz GKIIOLFEZLYNPT-FLSXHVSPSA-N -1 0 546.789 5.765 1 0 biogenic,in-vitro KKAFRM O=C(CCCC[C@@H]1CCSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)CO[C@H](C(=O)[O-])C2 ZINC000043025154 562645068 /nfs/dbraw/zinc/64/50/68/562645068.db2.gz DUSSUBQZYNSPKD-IZLXSDGUSA-N -1 0 547.742 6.851 1 0 KKAFRM CCCCNc1nc([N-]c2nc(SC)cc(-c3cc(OC)c(OC)c(OC)c3)n2)nc(NCCCC)n1 ZINC000043066996 562645438 /nfs/dbraw/zinc/64/54/38/562645438.db2.gz PIXMXQAMZWGTNV-UHFFFAOYSA-N -1 0 528.683 5.244 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(F)cc32)cc1 ZINC000043074408 562645618 /nfs/dbraw/zinc/64/56/18/562645618.db2.gz PNDMBUOUXQMSDZ-BQYQJAHWSA-N -1 0 536.559 5.273 1 0 KKAFRM Cc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(C/C=C/COc3ccc(C(=O)[O-])cc3)c2c1 ZINC000043123181 562646243 /nfs/dbraw/zinc/64/62/43/562646243.db2.gz FFTITOILIQABQD-CMDGGOBGSA-N -1 0 532.596 5.443 1 0 KKAFRM Cc1cc(O[C@H](CCC(F)(F)F)c2ccc(C(=O)NCc3nnn[n-]3)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000043174816 562646585 /nfs/dbraw/zinc/64/65/85/562646585.db2.gz ZQTIEFGJUPAYBC-AREMUKBSSA-N -1 0 565.640 7.174 1 0 KKAFRM Cc1ccnc(NCc2cnc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)s2)c1 ZINC000043176804 562646641 /nfs/dbraw/zinc/64/66/41/562646641.db2.gz YUBVJZGWIJZEGM-DEOSSOPVSA-N -1 0 514.651 5.477 1 0 KKAFRM O=C([O-])C1(Oc2ccc(NC(=O)[C@H](C3CCCCC3)n3c4cc(F)c(F)cc4nc3-c3ccc(Cl)cc3)c(F)c2)CC1 ZINC000043206474 562647112 /nfs/dbraw/zinc/64/71/12/562647112.db2.gz QIOGTBSZDDTWRV-MHZLTWQESA-N -1 0 598.021 7.530 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NNc6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043335304 562647909 /nfs/dbraw/zinc/64/79/09/562647909.db2.gz JWZUBZKPGHSMQK-MHOVEPROSA-N -1 0 548.856 8.794 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4ccccc4Br)c3)C2)cc1OC1CCCC1 ZINC000043524205 562648937 /nfs/dbraw/zinc/64/89/37/562648937.db2.gz JGBSCKCBHLPLMS-FQEVSTJZSA-N -1 0 585.520 6.100 1 0 KKAFRM CCCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1C(F)(F)F)O2 ZINC000043524563 562649086 /nfs/dbraw/zinc/64/90/86/562649086.db2.gz GEQQWJZHQBMTGF-LXFBAYGMSA-N -1 0 565.654 6.866 1 0 KKAFRM CCC(=O)O[C@H](CC)OP(=O)(O[C@@H](CC)OC(=O)CC)[C@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000043946720 562651299 /nfs/dbraw/zinc/65/12/99/562651299.db2.gz UTPGTJGEZGLTBV-KCHLEUMXSA-N -1 0 614.650 6.620 1 0 KKAFRM CCOc1cc(NC(=O)Nc2ccccc2C)ccc1-c1cccn(Cc2ccc([C@H](C)CC(=O)[O-])cc2)c1=O ZINC000044018527 562651542 /nfs/dbraw/zinc/65/15/42/562651542.db2.gz JEBRWBXEAHSNTF-JOCHJYFZSA-N -1 0 539.632 6.493 1 0 KKAFRM C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-] ZINC000044053024 562651944 /nfs/dbraw/zinc/65/19/44/562651944.db2.gz UMZQMGHTQHUFHI-UWBJMHDUSA-N -1 0 616.733 9.825 1 0 KKAFRM COc1cc(C2=NN(C(=O)COc3cccc4ccccc43)[C@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)[O-] ZINC000044053363 562652025 /nfs/dbraw/zinc/65/20/25/562652025.db2.gz SKKNIEMTSOAJKK-XMMPIXPASA-N -1 0 538.600 5.247 1 0 KKAFRM CC(C)c1cc(C(C)C)c(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc([C@H](C)C(=O)[O-])cc32)c(C(C)C)c1 ZINC000044069403 562652047 /nfs/dbraw/zinc/65/20/47/562652047.db2.gz CXUNYDBSYPMDGW-IBGZPJMESA-N -1 0 540.125 8.243 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)c6ccccc6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000044087006 562652267 /nfs/dbraw/zinc/65/22/67/562652267.db2.gz WVNZIIQRCPXYEN-YPTFCJLFSA-N -1 0 576.818 7.925 1 0 KKAFRM CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC[C@]23C)C1(C)C ZINC000044280706 562652908 /nfs/dbraw/zinc/65/29/08/562652908.db2.gz HGQZVAAQKMQGQF-COPPJJLJSA-N -1 0 599.853 6.526 1 0 KKAFRM CC(C)c1c(C(=O)NCc2cccc(-c3ccccc3F)c2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000044305414 562653475 /nfs/dbraw/zinc/65/34/75/562653475.db2.gz JGYFNJJVXLVBOL-CLJLJLNGSA-N -1 0 591.655 5.525 1 0 KKAFRM COc1ccc([C@H](CC(=O)CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2c[nH]c3ccc(OC)cc32)cc1 ZINC000044305736 562653551 /nfs/dbraw/zinc/65/35/51/562653551.db2.gz MGQQTHHXUITTTB-HVNZXBJASA-N -1 0 567.642 5.350 1 0 KKAFRM CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]4(C)CC3=CC[C@H]2C1(C)C ZINC000044305776 562653555 /nfs/dbraw/zinc/65/35/55/562653555.db2.gz UYVNNJBTWBXJBQ-MWOCCTSQSA-N -1 0 556.784 7.346 1 0 KKAFRM Cc1cc(NC(=O)Nc2ccccc2Br)c(Cl)cc1CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(C(=O)[O-])cc1 ZINC000044358687 562655349 /nfs/dbraw/zinc/65/53/49/562655349.db2.gz RWXLEGJTWXHYFT-PMACEKPBSA-N -1 0 618.887 6.314 1 0 KKAFRM O=C([O-])C1CCN(c2c(Cl)cc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2Cl)CC1 ZINC000044358885 562655393 /nfs/dbraw/zinc/65/53/93/562655393.db2.gz FKHXXBFHTKQRMY-UHFFFAOYSA-N -1 0 562.372 6.828 1 0 KKAFRM CC(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000044359114 562655418 /nfs/dbraw/zinc/65/54/18/562655418.db2.gz MAQWNYLCDKHCPQ-SKHUFZRLSA-N -1 0 540.829 8.687 1 0 KKAFRM Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(-c2cccc(F)c2)ccc1C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000044386455 562655906 /nfs/dbraw/zinc/65/59/06/562655906.db2.gz BJQXMDVHQGMWFX-DFXYEROKSA-N -1 0 589.708 7.093 1 0 KKAFRM CC(C)c1onc(CNc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044388344 562656317 /nfs/dbraw/zinc/65/63/17/562656317.db2.gz FIEQTERVDPPZLJ-MDZDMXLPSA-N -1 0 571.888 8.818 1 0 KKAFRM CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000044404704 562656519 /nfs/dbraw/zinc/65/65/19/562656519.db2.gz WYUBFTSIEXMENW-XHVSEXIISA-N -1 0 512.775 8.050 1 0 KKAFRM Cc1cccc(C)c1OCc1noc(C(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044406427 562656863 /nfs/dbraw/zinc/65/68/63/562656863.db2.gz FCAIIXKRVYSGEA-VAWYXSNFSA-N -1 0 532.036 8.095 1 0 KKAFRM O=C([O-])c1cccc(/C=C/c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CCC3)cc2Cl)c1 ZINC000044406403 562656896 /nfs/dbraw/zinc/65/68/96/562656896.db2.gz HQCOQYGJAPTGIE-ZHACJKMWSA-N -1 0 554.857 9.017 1 0 KKAFRM C[C@@]1(C(=O)[O-])COc2ccc(CCN(CCCCC3CCCCC3)C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2O1 ZINC000044406532 562656906 /nfs/dbraw/zinc/65/69/06/562656906.db2.gz VSQGNRJKUUSSJA-LJAQVGFWSA-N -1 0 594.696 7.740 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](C)OCc2ccccc2)c(C)c1 ZINC000044418927 562657380 /nfs/dbraw/zinc/65/73/80/562657380.db2.gz DYEXJFHQBKUQNA-MNNSJKJDSA-N -1 0 539.632 6.197 1 0 KKAFRM COc1cccc(-c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(NC(=O)Nc3c(C)cc(C)cc3C)c2)c1 ZINC000044431456 562657836 /nfs/dbraw/zinc/65/78/36/562657836.db2.gz CVTAUAKGIONCFB-PIKZIKFNSA-N -1 0 561.679 6.318 1 0 KKAFRM O=C([O-])[C@@]1(N(CCN2CCCCC2=O)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1 ZINC000044431379 562657837 /nfs/dbraw/zinc/65/78/37/562657837.db2.gz VKRZUVCMWHOLMS-LITSAYRRSA-N -1 0 553.080 5.021 1 0 KKAFRM Cc1cc(C)cc([C@H](CC(C)C)NC(=O)c2cc(COc3cccc(Cl)c3)ccc2CCC(=O)[O-])c1 ZINC000045369945 562662212 /nfs/dbraw/zinc/66/22/12/562662212.db2.gz VSONIJBYVAGXHF-NDEPHWFRSA-N -1 0 508.058 7.070 1 0 KKAFRM O=C([O-])C[C@@H]1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2c1cccc2Br ZINC000045373134 562662278 /nfs/dbraw/zinc/66/22/78/562662278.db2.gz GWEYXGKHUJIVFK-CYYXOFGOSA-N -1 0 501.465 5.279 1 0 KKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000045389193 562662487 /nfs/dbraw/zinc/66/24/87/562662487.db2.gz XRJORJOEXYTMGE-AREMUKBSSA-N -1 0 503.595 5.571 1 0 KKAFRM Cc1oc(-c2ccc(C)cc2)nc1COc1cccc(CN(CC(=O)[O-])C(=O)Oc2ccc(C)cc2)c1 ZINC000049070602 562664080 /nfs/dbraw/zinc/66/40/80/562664080.db2.gz QQURUBZIWQUADK-UHFFFAOYSA-N -1 0 500.551 5.931 1 0 KKAFRM CC1(CCn2c(Cn3c4ccccc4n(Cc4cc(I)c([O-])c(I)c4)c3=O)nc3ccccc32)N=N1 ZINC000049605903 562666421 /nfs/dbraw/zinc/66/64/21/562666421.db2.gz QOOKQGOEABULEO-UHFFFAOYSA-N -1 0 704.310 5.736 1 0 KKAFRM Cc1cccc([C@H](NC(=O)CC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](NC(=O)c2ccc3ccccc3n2)C(=O)[O-])c2cc3ccccc3[nH]2)c1 ZINC000049605943 562666446 /nfs/dbraw/zinc/66/64/46/562666446.db2.gz XAFJDWKTWYKYHX-YRLNETEPSA-N -1 0 711.819 5.372 1 0 KKAFRM COc1ccc(C(=O)OC[C@@H]2Oc3ccc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)cc3O[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000049694773 562669762 /nfs/dbraw/zinc/66/97/62/562669762.db2.gz FDXPVIPIJRMEIA-DHIFEGFHSA-N -1 0 614.559 5.038 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc([O-])cc(O)c5c(=O)c4O)ccc3O[C@H]2COC(=O)c2cccc(Cl)c2)ccc1O ZINC000049694831 562669822 /nfs/dbraw/zinc/66/98/22/562669822.db2.gz LJTPOGJBTKOYFA-FREGXXQWSA-N -1 0 618.978 5.683 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)c2O1 ZINC000049746786 562674608 /nfs/dbraw/zinc/67/46/08/562674608.db2.gz OZYOLEZTJANDIU-QHTVQKDMSA-N -1 0 642.302 10.026 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)C(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049756937 562675340 /nfs/dbraw/zinc/67/53/40/562675340.db2.gz DGQYEDIUARKQLY-SANMLTNESA-N -1 0 615.170 7.582 1 0 KKAFRM CC(C)C[C@@H](NC(=O)c1cc(COc2ccccc2)ccc1CCC(=O)[O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000049766550 562677100 /nfs/dbraw/zinc/67/71/00/562677100.db2.gz WIRJDSFCSUNLAH-AREMUKBSSA-N -1 0 531.546 6.958 1 0 KKAFRM CCC(=O)N1CCC[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049771138 562677962 /nfs/dbraw/zinc/67/79/62/562677962.db2.gz UCDURHZLCHHUOW-QHCPKHFHSA-N -1 0 585.210 7.667 1 0 KKAFRM CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)C(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1 ZINC000049771784 562678445 /nfs/dbraw/zinc/67/84/45/562678445.db2.gz DJIUUFLBCJTONF-SANMLTNESA-N -1 0 601.143 7.192 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccccc2C(F)(F)F)cc1 ZINC000049775437 562679062 /nfs/dbraw/zinc/67/90/62/562679062.db2.gz BWQDIAYCQZUIAV-UHFFFAOYSA-N -1 0 529.536 6.855 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC)c(Cl)c2)cc1 ZINC000049775480 562679122 /nfs/dbraw/zinc/67/91/22/562679122.db2.gz AIULGWRVYCMKMZ-UHFFFAOYSA-N -1 0 526.010 6.499 1 0 KKAFRM CN(CCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000049776294 562679340 /nfs/dbraw/zinc/67/93/40/562679340.db2.gz BHIBRIYEKOGEIL-UHFFFAOYSA-N -1 0 693.265 8.256 1 0 KKAFRM CC[C@H](C)Oc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000049777073 562679593 /nfs/dbraw/zinc/67/95/93/562679593.db2.gz OJSBHAFKMHNAMF-IBGZPJMESA-N -1 0 587.616 7.904 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(COC(=O)/C=C\c6ccc(O)cc6)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049777858 562680588 /nfs/dbraw/zinc/68/05/88/562680588.db2.gz FWUYLMWSIUOLQP-MJPPUQOLSA-N -1 0 634.854 7.147 1 0 KKAFRM CC(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049780331 562681605 /nfs/dbraw/zinc/68/16/05/562681605.db2.gz DJRPEYTUXIENBW-MGCKRTEFSA-N -1 0 540.829 8.831 1 0 KKAFRM O=C(CCc1ccc(CN2CCOCC2)cc1OCCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049780713 562682125 /nfs/dbraw/zinc/68/21/25/562682125.db2.gz KQZKVHKRCBRXPF-UHFFFAOYSA-N -1 0 594.680 5.009 1 0 KKAFRM CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000049780808 562682267 /nfs/dbraw/zinc/68/22/67/562682267.db2.gz WZKROPNGDPMGAT-HIWBJPQOSA-N -1 0 512.775 8.195 1 0 KKAFRM COc1cccc(C2(C(=O)[N-]S(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ccccc3OC)CC2)c1 ZINC000049780965 562682492 /nfs/dbraw/zinc/68/24/92/562682492.db2.gz YTGXRDAGKLLTFJ-UHFFFAOYSA-N -1 0 580.747 5.929 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000049781374 562683019 /nfs/dbraw/zinc/68/30/19/562683019.db2.gz JOWYVJZEPBOMSV-WEVVVXLNSA-N -1 0 573.351 5.429 1 0 KKAFRM COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(-c6cccc(C(=O)[O-])c6)o5)c(=O)n42)c2ccccc2CC3)c1 ZINC000049783756 562683244 /nfs/dbraw/zinc/68/32/44/562683244.db2.gz WWKCRBRPVCWAEM-JLKMOJGBSA-N -1 0 560.631 5.286 1 0 KKAFRM COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)cc4)c(=O)n31)c1ccccc1CC2 ZINC000049784063 562683454 /nfs/dbraw/zinc/68/34/54/562683454.db2.gz PDAWGEUNLGZMEW-ISZRBDKASA-N -1 0 570.670 5.693 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OC(C)(C)C(=O)[O-])cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049785269 562683970 /nfs/dbraw/zinc/68/39/70/562683970.db2.gz DWOWFTSWXFWSEX-UHFFFAOYSA-N -1 0 543.563 7.326 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(NS(C)(=O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049785293 562683984 /nfs/dbraw/zinc/68/39/84/562683984.db2.gz LSOYEODGFKHQEV-UHFFFAOYSA-N -1 0 608.616 6.098 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049785399 562684022 /nfs/dbraw/zinc/68/40/22/562684022.db2.gz ZCUKWEROAITMTR-UHFFFAOYSA-N -1 0 557.590 7.634 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000049793447 562684859 /nfs/dbraw/zinc/68/48/59/562684859.db2.gz IITIDBUPAHYEPZ-WEVVVXLNSA-N -1 0 570.281 5.908 1 0 KKAFRM O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049802607 562685866 /nfs/dbraw/zinc/68/58/66/562685866.db2.gz HZZCRINGTHCFSR-ZHACJKMWSA-N -1 0 571.463 5.456 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(Cn3cccn3)cc2OCCc2ccc3ccccc3c2)o1 ZINC000049802968 562686009 /nfs/dbraw/zinc/68/60/09/562686009.db2.gz UOWFBSNAOFFEHS-UHFFFAOYSA-N -1 0 543.645 5.045 1 0 KKAFRM Cc1cc(OCc2nc(-c3ccc(C(=O)N(C)C(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-] ZINC000049803976 562686298 /nfs/dbraw/zinc/68/62/98/562686298.db2.gz ONSMHKKGSSTBGU-UHFFFAOYSA-N -1 0 614.642 7.207 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCCCC(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000049833028 562687419 /nfs/dbraw/zinc/68/74/19/562687419.db2.gz LXWIQEFMAVMXNZ-ZVLAZMDXSA-N -1 0 642.922 5.997 1 0 KKAFRM COc1cc(/C=C\C(=O)OC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@@]6(C(=O)[O-])CC[C@@H](C)[C@H](C)[C@H]6C5=CC[C@@H]4[C@@]3(C)CC[C@@H]2O)ccc1O ZINC000049833460 562687786 /nfs/dbraw/zinc/68/77/86/562687786.db2.gz MSZMBCCZDCLCSY-NBWVGYPQSA-N -1 0 634.854 7.650 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2cc(Cl)c(NC(=O)Nc3ccccc3Br)cc2Cl)cc1 ZINC000049841564 562688478 /nfs/dbraw/zinc/68/84/78/562688478.db2.gz SNMVGQOESNPUOV-ROUUACIJSA-N -1 0 639.305 6.659 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)CCN2CC[C@H](O)C2)cc1 ZINC000049852128 562688783 /nfs/dbraw/zinc/68/87/83/562688783.db2.gz ODHPFDFHGLILJV-HKBQPEDESA-N -1 0 702.273 5.781 1 0 KKAFRM O=C([O-])c1ccc(Cc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000049853719 562689059 /nfs/dbraw/zinc/68/90/59/562689059.db2.gz PZNDSNAMBZKQFS-UHFFFAOYSA-N -1 0 649.212 7.884 1 0 KKAFRM O=C([O-])[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C1CCCCC1 ZINC000049867425 562689519 /nfs/dbraw/zinc/68/95/19/562689519.db2.gz VELSBWPCKDKOGF-QFIPXVFZSA-N -1 0 598.405 7.453 1 0 KKAFRM CC(C)c1onc(COc2ccc(Cl)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000049881659 562690984 /nfs/dbraw/zinc/69/09/84/562690984.db2.gz KNFVNLARLPZRFW-VOTSOKGWSA-N -1 0 572.872 8.785 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000049898480 562692571 /nfs/dbraw/zinc/69/25/71/562692571.db2.gz FPCSRPCFVUCUTJ-UHFFFAOYSA-N -1 0 713.246 8.746 1 0 KKAFRM CC(=O)O[C@H]1CO[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)[O-])CC[C@@]5(C)[C@]4(C)CC[C@H]3[C@]2(C)CO)[C@H](O)[C@H]1O ZINC000049898704 562692772 /nfs/dbraw/zinc/69/27/72/562692772.db2.gz OZICUJMVENZDKS-JDEACCKASA-N -1 0 646.862 5.240 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2cocn2)c1OC ZINC000049926538 562694717 /nfs/dbraw/zinc/69/47/17/562694717.db2.gz DWDDHNWBAVHITQ-SANMLTNESA-N -1 0 509.599 5.881 1 0 KKAFRM COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000053226383 562696528 /nfs/dbraw/zinc/69/65/28/562696528.db2.gz PZPIHDAFSYSDML-CFRMEGHHSA-N -1 0 582.428 5.654 1 0 KKAFRM Cc1sc(NC(=O)c2cnc(N3CCC(C(=O)[O-])CC3)c(Cl)c2)nc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000053297054 562697427 /nfs/dbraw/zinc/69/74/27/562697427.db2.gz HRAUTHVDGDEUDU-UHFFFAOYSA-N -1 0 542.942 5.878 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc32)n(-c2cccc(CNC(=O)CCC(=O)[O-])c2)n1 ZINC000058511476 562698414 /nfs/dbraw/zinc/69/84/14/562698414.db2.gz SIXWQDNPVOTEOD-UHFFFAOYSA-N -1 0 513.598 5.448 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(CNC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2)n1 ZINC000058511846 562698419 /nfs/dbraw/zinc/69/84/19/562698419.db2.gz FTSPVTCXOYPPAY-XZOQPEGZSA-N -1 0 517.630 5.321 1 0 KKAFRM CC(C)C[C@H](C(=O)[O-])c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@H](C(F)(F)F)N2C)c1 ZINC000059282864 562701958 /nfs/dbraw/zinc/70/19/58/562701958.db2.gz JVAGOTMUORBIKU-YTFSRNRJSA-N -1 0 501.511 7.674 1 0 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NWYNXCSQUNIRAP-JGPANTPNSA-N -1 0 538.769 8.993 1 0 KKAFRM CCCC(=O)Oc1ccc(-c2ccc(C(=O)[O-])cc2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000064491809 562705938 /nfs/dbraw/zinc/70/59/38/562705938.db2.gz NQAUYZRJVHNNJF-UHFFFAOYSA-N -1 0 503.448 5.845 1 0 KKAFRM O=S(=O)([N-]c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccc(Cl)cc1 ZINC000064514080 562706529 /nfs/dbraw/zinc/70/65/29/562706529.db2.gz PCBTVAPGHOYFBN-UHFFFAOYSA-N -1 0 534.085 5.144 1 0 KKAFRM C[C@@H](c1ccc(Br)cc1)n1c2c(cc(F)cc2S(C)(=O)=O)c2c1[C@@H](CC(=O)[O-])CCC2 ZINC000064549624 562708086 /nfs/dbraw/zinc/70/80/86/562708086.db2.gz IBCFVGVAMLZBIX-DZGCQCFKSA-N -1 0 508.409 5.450 1 0 KKAFRM O=C([O-])c1ccc(C(c2c3ccccc3[nH]c2-c2ccccc2)c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000064560462 562708522 /nfs/dbraw/zinc/70/85/22/562708522.db2.gz CLFJUOVLIFWCAE-UHFFFAOYSA-N -1 0 518.616 8.862 1 0 KKAFRM CC(C)(C)CN(C(=O)CCC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1[C@H](O)c1cccc(F)c1Cl ZINC000066066029 562709251 /nfs/dbraw/zinc/70/92/51/562709251.db2.gz 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562712731 /nfs/dbraw/zinc/71/27/31/562712731.db2.gz XFZVGZXCISTQLD-UHFFFAOYSA-N -1 0 521.573 5.363 1 0 KKAFRM COc1cccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000066136228 562713000 /nfs/dbraw/zinc/71/30/00/562713000.db2.gz QHWOHXPXLWRHPO-DQEYMECFSA-N -1 0 542.451 5.654 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066138185 562713240 /nfs/dbraw/zinc/71/32/40/562713240.db2.gz CBDBOCGTRDCOLM-UNMCSNQZSA-N -1 0 518.454 5.707 3 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)C(=O)Nc2cccc4ccccc42)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066156375 562713750 /nfs/dbraw/zinc/71/37/50/562713750.db2.gz UTNPVUKYSXCIMW-OVMXQCPESA-N -1 0 630.767 5.333 3 0 KKAFRM O=C([O-])[C@H](O)CNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066258923 562715139 /nfs/dbraw/zinc/71/51/39/562715139.db2.gz HRIJGNOIUPZUGR-XMMPIXPASA-N -1 0 594.373 5.646 1 0 KKAFRM 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/nfs/dbraw/zinc/71/99/10/562719910.db2.gz NLLRLPXZAAVABQ-XMHGGMMESA-N -1 0 598.143 7.791 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000071410412 562720161 /nfs/dbraw/zinc/72/01/61/562720161.db2.gz XQZQYDQNAHFFJL-CCQZMSTDSA-N -1 0 518.116 6.363 1 0 KKAFRM CCC(CC)(c1ccc(CC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(OCCCCCCC(=O)[O-])c(C)c1 ZINC000072106120 562720887 /nfs/dbraw/zinc/72/08/87/562720887.db2.gz GLMYTKFIZYUQJS-SSEXGKCCSA-N -1 0 510.759 8.163 1 0 KKAFRM C/C(=C/Cc1cc(O)ccc1O)CCC[C@@H](C)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS(=O)(=O)[O-] ZINC000072106813 562721155 /nfs/dbraw/zinc/72/11/55/562721155.db2.gz VCFONRYZIFVUGC-LCWIKDIKSA-N -1 0 548.786 7.770 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCCc1nc2cc(C[C@H](Oc3ccc(C(C)(C)C)cc3)C(=O)[O-])ccc2o1 ZINC000072113564 562722427 /nfs/dbraw/zinc/72/24/27/562722427.db2.gz KQGLNUYNYIWMQL-LJAQVGFWSA-N -1 0 538.644 7.339 1 0 KKAFRM C[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1 ZINC000072123751 562724915 /nfs/dbraw/zinc/72/49/15/562724915.db2.gz DDKQHOCXJJRIOW-JOCHJYFZSA-N -1 0 648.081 8.174 1 0 KKAFRM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(COC(=O)CCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000072171951 562730578 /nfs/dbraw/zinc/73/05/78/562730578.db2.gz AARCRKKVNITPFZ-NDEPHWFRSA-N -1 0 510.590 5.088 1 0 KKAFRM O=S(=O)([N-]c1ccc(Oc2ccnc3ccccc32)cc1)c1ccc(C(F)(F)F)cc1Br ZINC000072175090 562731261 /nfs/dbraw/zinc/73/12/61/562731261.db2.gz ZKUZNOGJUSNQRL-UHFFFAOYSA-N -1 0 523.330 6.609 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000072181208 562732660 /nfs/dbraw/zinc/73/26/60/562732660.db2.gz LOKQCBKLWIHJHQ-VSOVPVGVSA-N -1 0 538.402 6.690 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2cc(OCc3ccccc3F)ccc2c1)NC(=O)COc1ccc(Cl)cc1 ZINC000072181753 562732814 /nfs/dbraw/zinc/73/28/14/562732814.db2.gz SAHCXQRYOHADIJ-AREMUKBSSA-N -1 0 507.945 5.402 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cnc(C)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073156828 562733846 /nfs/dbraw/zinc/73/38/46/562733846.db2.gz HFMAJCKJPSDMFK-UHFFFAOYSA-N -1 0 624.807 7.982 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5cc(C)n(C)n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000073158215 562733895 /nfs/dbraw/zinc/73/38/95/562733895.db2.gz JXESCLFWHHZPSM-UHFFFAOYSA-N -1 0 626.823 7.925 1 0 KKAFRM CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)[O-])ccc1OC)C(=O)OCc1cc(F)cc(F)c1 ZINC000073165852 562734427 /nfs/dbraw/zinc/73/44/27/562734427.db2.gz VMLHCXLWBFDKDO-UHFFFAOYSA-N -1 0 537.481 6.445 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(F)(F)F)cc1 ZINC000073168986 562734772 /nfs/dbraw/zinc/73/47/72/562734772.db2.gz PMIHQEYGXPMLJD-NRFANRHFSA-N -1 0 585.022 7.349 1 0 KKAFRM CN(C(=O)c1cc2c(s1)-c1ccc(-c3cccc(CC(=O)[O-])c3)cc1OCC2)c1ccccc1Cl ZINC000073197557 562735393 /nfs/dbraw/zinc/73/53/93/562735393.db2.gz IPZWQWPYSINDFL-UHFFFAOYSA-N -1 0 504.007 6.574 1 0 KKAFRM C[C@@H](Oc1cc(Cn2c(=O)n(C(=O)c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)[O-] ZINC000073198665 562735822 /nfs/dbraw/zinc/73/58/22/562735822.db2.gz QADHKMUZJTZANQ-CYBMUJFWSA-N -1 0 553.320 5.717 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccccc3)ccc2c1 ZINC000073314214 562737985 /nfs/dbraw/zinc/73/79/85/562737985.db2.gz XYHVTKRWUAZCBU-HKBQPEDESA-N -1 0 569.683 6.691 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc4c(c3)OCO4)ccc2c1 ZINC000073313000 562737992 /nfs/dbraw/zinc/73/79/92/562737992.db2.gz UEHNEMDCQGNQTG-PMERELPUSA-N -1 0 613.692 6.420 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000073388699 562738584 /nfs/dbraw/zinc/73/85/84/562738584.db2.gz XILJXRVCHJZZBR-INIZCTEOSA-N -1 0 508.566 5.165 1 0 KKAFRM CCOc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c([S@@](=O)C(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082137904 562739010 /nfs/dbraw/zinc/73/90/10/562739010.db2.gz UUIAEJBYJQLEJV-MFERNQICSA-N -1 0 653.845 7.992 1 0 KKAFRM CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000082138047 562739156 /nfs/dbraw/zinc/73/91/56/562739156.db2.gz QLEJNCAOFVEXSA-QHCPKHFHSA-N -1 0 646.628 8.495 1 0 KKAFRM CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000082138046 562739167 /nfs/dbraw/zinc/73/91/67/562739167.db2.gz QACGRHHYUDCDSY-QHCPKHFHSA-N -1 0 662.627 8.374 1 0 KKAFRM CC1(C)c2ccccc2[N+](CCCCCC(=O)[O-])=C1/C=C/C1=C(Cl)/C(=C/C=C2/N(CCCCCC(=O)[O-])c3ccccc3C2(C)C)CCC1 ZINC000082140546 562739480 /nfs/dbraw/zinc/73/94/80/562739480.db2.gz MUEMGQSGNZKFJI-UHFFFAOYSA-O -1 0 684.341 10.194 1 0 KKAFRM O=C([O-])c1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000082154937 562740454 /nfs/dbraw/zinc/74/04/54/562740454.db2.gz KYVWODXPRHJOSS-UHFFFAOYSA-N -1 0 568.265 7.953 1 0 KKAFRM CCCCCS(=O)(=O)[N-]C(=O)CCc1cc(OCc2ccccc2)nn1Cc1ccc(Cl)cc1Cl ZINC000082157958 562740993 /nfs/dbraw/zinc/74/09/93/562740993.db2.gz SLOMYYDFGVUMBJ-UHFFFAOYSA-N -1 0 538.497 5.386 1 0 KKAFRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cc(N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000082170431 562741446 /nfs/dbraw/zinc/74/14/46/562741446.db2.gz LECXGIZIWYJDJT-WJOKGBTCSA-N -1 0 702.034 7.674 1 0 KKAFRM O=C([N-]N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 ZINC000082182078 562742035 /nfs/dbraw/zinc/74/20/35/562742035.db2.gz LKJHVKWHVKZZHS-ZHZULCJRSA-N -1 0 655.756 8.472 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccc(Cl)cc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000084324180 562742834 /nfs/dbraw/zinc/74/28/34/562742834.db2.gz JTZKJNWNRDCOKS-BPBHNCSOSA-N -1 0 631.254 6.035 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(Cc2ccccc2)c2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000084586797 562743410 /nfs/dbraw/zinc/74/34/10/562743410.db2.gz HXEWPVNRCHPZIB-UHFFFAOYSA-N -1 0 649.958 9.549 1 0 KKAFRM COc1ccc([C@@H](Cc2ccc(-c3nc(C(=O)[O-])cs3)cc2)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000084596406 562743680 /nfs/dbraw/zinc/74/36/80/562743680.db2.gz BQGLHEJGIKPTFZ-JOCHJYFZSA-N -1 0 501.539 6.081 1 0 KKAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)[O-])c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000084603369 562744160 /nfs/dbraw/zinc/74/41/60/562744160.db2.gz DYFKISZGOAGEJW-GIPLCNRYSA-N -1 0 562.040 5.198 1 0 KKAFRM CC(C)=CCc1c([O-])cc2oc3c(c(=O)c2c1O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C3=O ZINC000084603938 562744251 /nfs/dbraw/zinc/74/42/51/562744251.db2.gz YESGPFGMANPCDL-XIFFEERXSA-N -1 0 548.676 6.516 1 0 KKAFRM Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)[O-])c1 ZINC000084651902 562746375 /nfs/dbraw/zinc/74/63/75/562746375.db2.gz AQQQCXSXMJJHOU-QHCPKHFHSA-N -1 0 536.646 5.456 1 0 KKAFRM CC(C)N(Cc1cccc(OCCCCCC(=O)[O-])c1)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 ZINC000084652633 562746633 /nfs/dbraw/zinc/74/66/33/562746633.db2.gz VTGIULZSUUBJIM-UHFFFAOYSA-N -1 0 503.595 6.157 1 0 KKAFRM CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(CSc2nc3cc(F)ccc3n2CC(=O)[O-])c1 ZINC000084654133 562747174 /nfs/dbraw/zinc/74/71/74/562747174.db2.gz GNSJEAKEIUXEQQ-UHFFFAOYSA-N -1 0 507.587 5.223 1 0 KKAFRM CS(=O)(=O)c1cc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])ccc1Cl ZINC000084654201 562747241 /nfs/dbraw/zinc/74/72/41/562747241.db2.gz SKOPXHFNQHFUFJ-QFIPXVFZSA-N -1 0 649.936 5.421 1 0 KKAFRM CCS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084669400 562747988 /nfs/dbraw/zinc/74/79/88/562747988.db2.gz HXFLTJZCIRRAHJ-DEOSSOPVSA-N -1 0 629.518 5.157 1 0 KKAFRM CP(C)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)[O-])c1 ZINC000084670002 562748151 /nfs/dbraw/zinc/74/81/51/562748151.db2.gz QPZCYDCQRGXZLP-DEOSSOPVSA-N -1 0 613.434 5.612 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc3nc(C)sc3c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000084672212 562748746 /nfs/dbraw/zinc/74/87/46/562748746.db2.gz DZWSEINJZXOIKL-WUFINQPMSA-N -1 0 668.790 5.546 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084703820 562749798 /nfs/dbraw/zinc/74/97/98/562749798.db2.gz DWIAZOHRCFODIE-WCTKDPGZSA-N -1 0 539.028 5.412 1 0 KKAFRM COc1ccc(C[C@@H](Sc2ccc(OCC(=O)[O-])c(C)c2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000084709167 562750256 /nfs/dbraw/zinc/75/02/56/562750256.db2.gz MTOXHLXMIDXIFJ-RUZDIDTESA-N -1 0 573.658 7.994 1 0 KKAFRM COc1cccc([C@@H]2O[C@H](CC(=O)N3CCC(CC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084709749 562750336 /nfs/dbraw/zinc/75/03/36/562750336.db2.gz MSSQOQPKGAMUSY-NAKRPHOHSA-N -1 0 539.028 5.412 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CCC(CC(=O)[O-])CC3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084709775 562750394 /nfs/dbraw/zinc/75/03/94/562750394.db2.gz SPPXXESUUOAMKD-VAVYLYDRSA-N -1 0 553.055 5.802 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1cccc2ccccc21)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084712101 562750763 /nfs/dbraw/zinc/75/07/63/562750763.db2.gz ZLIUZMRTTZRXTE-NDEPHWFRSA-N -1 0 593.692 9.138 1 0 KKAFRM Cc1ccc(Cn2cc(-c3c4n(c(=O)c(Br)c3Cc3cccc5ccccc53)[C@H](C(=O)[O-])CS4)nn2)cc1 ZINC000084713323 562750896 /nfs/dbraw/zinc/75/08/96/562750896.db2.gz FWPNECZSWRZJDS-DEOSSOPVSA-N -1 0 587.499 5.701 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1cc(F)c(F)c(F)c1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724837 562751193 /nfs/dbraw/zinc/75/11/93/562751193.db2.gz VRQBNZLPOKTLAT-QHCPKHFHSA-N -1 0 597.602 8.403 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2[nH]cc(Cc3cccc(C(=O)[O-])c3)c2c1 ZINC000084725288 562751231 /nfs/dbraw/zinc/75/12/31/562751231.db2.gz OUUIEEORVJIONR-UHFFFAOYSA-N -1 0 535.427 8.121 1 0 KKAFRM CN1CCCCN(C)S(=O)(=O)[N-]C(=O)c2ccc3c(c2)n(c(-c2ccc(Cl)cc2)c3C2CCCCC2)CC1=O ZINC000084727666 562751421 /nfs/dbraw/zinc/75/14/21/562751421.db2.gz KSEAGAJKXMTIIJ-UHFFFAOYSA-N -1 0 571.143 5.743 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(N(Cc2ccc(Oc3ccccc3F)cc2)Cc2cc(F)cc(F)c2)c(Br)c1 ZINC000084738670 562751901 /nfs/dbraw/zinc/75/19/01/562751901.db2.gz WXJHEWKNBMAKMT-UHFFFAOYSA-N -1 0 635.274 8.255 1 0 KKAFRM Cc1ccccc1Oc1ccc(CN(Cc2cc(F)cc(F)c2)c2c(Br)cc(CC(=O)[O-])cc2Br)cc1 ZINC000084740360 562752053 /nfs/dbraw/zinc/75/20/53/562752053.db2.gz PFQVSLTZVHBYGD-UHFFFAOYSA-N -1 0 631.311 8.424 1 0 KKAFRM COc1ccccc1Oc1ccc(CN(Cc2cc(F)cc(F)c2)c2c(Br)cc(CC(=O)[O-])cc2Br)cc1 ZINC000084741779 562752198 /nfs/dbraw/zinc/75/21/98/562752198.db2.gz UVRMUBCASGJVRN-UHFFFAOYSA-N -1 0 647.310 8.125 1 0 KKAFRM Cc1cc(OCc2cccc3nccn32)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084759476 562752917 /nfs/dbraw/zinc/75/29/17/562752917.db2.gz MBUJCOVRBLAAMC-RUZDIDTESA-N -1 0 534.612 6.727 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000095542418 562756715 /nfs/dbraw/zinc/75/67/15/562756715.db2.gz AFULPBNMPDSCLG-GVBYMILNSA-N -1 0 787.836 5.822 1 0 KKAFRM CC(=O)N1[C@@H](C)CN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000095543458 562757258 /nfs/dbraw/zinc/75/72/58/562757258.db2.gz DQBLELUNCAAOGV-KYJUHHDHSA-N -1 0 771.380 6.655 1 0 KKAFRM CCSCN(C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000095549064 562759727 /nfs/dbraw/zinc/75/97/27/562759727.db2.gz OZGWZEODHJTBJJ-SQDZOXHUSA-N -1 0 804.089 5.874 1 0 KKAFRM CCc1c(I)c(C)c(Oc2c(I)c(C)c(C(=O)[O-])c(C)c2I)c(C)c1I ZINC000095551978 562760488 /nfs/dbraw/zinc/76/04/88/562760488.db2.gz GOZBNYBQQSGUFG-UHFFFAOYSA-N -1 0 801.966 7.392 1 0 KKAFRM CC(=O)O[C@H](CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000095557309 562762077 /nfs/dbraw/zinc/76/20/77/562762077.db2.gz JHTUFPXDGZSUCN-IOWSJCHKSA-N -1 0 564.638 5.059 1 0 KKAFRM Cc1oc(-c2cccc(Br)c2)nc1CN(Cc1ccc(OC(C)(C)C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000095559370 562762715 /nfs/dbraw/zinc/76/27/15/562762715.db2.gz NXUKBBNHWYAKAA-UHFFFAOYSA-N -1 0 563.448 6.497 1 0 KKAFRM O=C([O-])C1=CC[C@@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 ZINC000095569028 562767138 /nfs/dbraw/zinc/76/71/38/562767138.db2.gz NTPZHGUMRRCCLA-XZOQPEGZSA-N -1 0 524.372 6.160 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc4c(c3)OCO4)CC=C(C(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000095570018 562767866 /nfs/dbraw/zinc/76/78/66/562767866.db2.gz MUMIPHNWFZOTAR-DHLKQENFSA-N -1 0 556.434 5.374 3 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1csc(-c2ccccc2)n1 ZINC000095571749 562769228 /nfs/dbraw/zinc/76/92/28/562769228.db2.gz CCAWMGXTEISEMF-HMMYKYKNSA-N -1 0 658.824 8.406 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@](C)(COCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095572514 562769417 /nfs/dbraw/zinc/76/94/17/562769417.db2.gz PVYONNKWQLSIMS-IKBQMQIHSA-N -1 0 504.752 7.834 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3csc(-c5ccccc5)n3)c4C3CCCC3)ccc21 ZINC000095572811 562769530 /nfs/dbraw/zinc/76/95/30/562769530.db2.gz MBGWOYLPBBNZAH-UHFFFAOYSA-N -1 0 659.812 7.963 1 0 KKAFRM COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)n1 ZINC000095573331 562769635 /nfs/dbraw/zinc/76/96/35/562769635.db2.gz AAYCOXYNCNLPOD-UHFFFAOYSA-N -1 0 619.722 6.388 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1cscn1 ZINC000095574677 562770047 /nfs/dbraw/zinc/77/00/47/562770047.db2.gz VIRCLINTNMISKX-NTEUORMPSA-N -1 0 568.699 6.348 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1cccc(N)n1 ZINC000095575851 562770456 /nfs/dbraw/zinc/77/04/56/562770456.db2.gz KMKZYHLHADTEEO-QGOAFFKASA-N -1 0 591.712 6.259 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)ccc2c(C2CCCC2)c1-c1csc(N)n1 ZINC000095576363 562770613 /nfs/dbraw/zinc/77/06/13/562770613.db2.gz ORKNVFFDZMOHJH-XNTDXEJSSA-N -1 0 571.703 5.787 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)ccc21 ZINC000095578558 562771288 /nfs/dbraw/zinc/77/12/88/562771288.db2.gz QVXUTBTZTZHPJC-UHFFFAOYSA-N -1 0 612.130 6.888 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccc(Cl)cc4)c5C4CCCC4)CCC3)ccc21 ZINC000095578740 562771339 /nfs/dbraw/zinc/77/13/39/562771339.db2.gz MSKPEOFTSUGHEM-UHFFFAOYSA-N -1 0 623.153 7.637 1 0 KKAFRM COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(=O)(=O)c1ccccc1C)n2C(=O)c1ccc(Cl)cc1 ZINC000095581594 562772227 /nfs/dbraw/zinc/77/22/27/562772227.db2.gz VACWCUDFDMTFCX-UHFFFAOYSA-N -1 0 525.026 5.046 1 0 KKAFRM Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3nncs3)cc2Cl)ccn1 ZINC000095581962 562772372 /nfs/dbraw/zinc/77/23/72/562772372.db2.gz FBYQZLHSQOTBCJ-UHFFFAOYSA-N -1 0 512.375 5.221 1 0 KKAFRM CC(C)(C)OC(=O)n1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncc(F)s3)cc2F)cn1 ZINC000095582059 562772426 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/nfs/dbraw/zinc/77/37/76/562773776.db2.gz LLELQOQACVSBMZ-UHFFFAOYSA-N -1 0 512.947 5.077 1 0 KKAFRM CCn1c(C)cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O ZINC000095587955 562774523 /nfs/dbraw/zinc/77/45/23/562774523.db2.gz YJMZWKYEAOOTFS-IBGZPJMESA-N -1 0 541.353 5.595 1 0 KKAFRM CC(=O)c1cncc(Oc2c(Cl)cc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1 ZINC000095590530 562775309 /nfs/dbraw/zinc/77/53/09/562775309.db2.gz GIORSITYZQXFRS-UHFFFAOYSA-N -1 0 506.194 6.491 1 0 KKAFRM CC(=O)O[C@H]1C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)[O-])[C@@]2(C)CC(=O)C3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000095590803 562775373 /nfs/dbraw/zinc/77/53/73/562775373.db2.gz CKXRGSLEGLFLRZ-ASNZCGCCSA-N -1 0 542.713 5.732 1 0 KKAFRM CCCCCC(=O)[C@H](c1c([O-])c(CC)c(C)oc1=O)c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O ZINC000095591372 562775606 /nfs/dbraw/zinc/77/56/06/562775606.db2.gz MLHCHYFNKPHMMY-NRFANRHFSA-N -1 0 500.588 5.326 1 0 KKAFRM 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610.667 5.688 1 0 KKAFRM CCC[C@@H](Oc1cc(C)c(-n2cc(C(F)(F)F)nn2)c(C)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096170543 562791152 /nfs/dbraw/zinc/79/11/52/562791152.db2.gz KIUOQZBTDJBMCI-HXUWFJFHSA-N -1 0 504.509 5.028 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C(C)(C)C)c1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171992 562791194 /nfs/dbraw/zinc/79/11/94/562791194.db2.gz NUQPMWMOYJWFQT-VSDBRFRMSA-N -1 0 652.917 6.679 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096171991 562791206 /nfs/dbraw/zinc/79/12/06/562791206.db2.gz GLPKOCYAYZOQGI-PXEHDMFRSA-N -1 0 652.917 6.679 1 0 KKAFRM COc1cccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])c1 ZINC000096171989 562791216 /nfs/dbraw/zinc/79/12/16/562791216.db2.gz XYHXOXLNFIHBCY-SHZFHUAASA-N -1 0 626.835 5.390 1 0 KKAFRM O=C1CCCN1c1ccc(N2CCOCC2)c(COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCCC=CCS(=O)(=O)[N-]C5=O)cc2)c1 ZINC000096172338 562791304 /nfs/dbraw/zinc/79/13/04/562791304.db2.gz OACKMZGAMZKRFR-KXFIGUGUSA-N -1 0 779.960 6.609 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n([C@H]2CCOC(C)(C)C2)c2nc(C)nn21 ZINC000096178256 562792593 /nfs/dbraw/zinc/79/25/93/562792593.db2.gz HVHGLQDEIPZFRM-NRFANRHFSA-N -1 0 572.641 5.022 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2ccnn21 ZINC000096178384 562792652 /nfs/dbraw/zinc/79/26/52/562792652.db2.gz OGXDWEIEEJAFSL-UHFFFAOYSA-N -1 0 615.706 5.460 1 0 KKAFRM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2F)c(=O)n(C2CCC(OC[C@H](C)O)CC2)c2ccnn21 ZINC000096178387 562792677 /nfs/dbraw/zinc/79/26/77/562792677.db2.gz FVRLNNYIBSGEGW-XOYNAWAESA-N -1 0 601.679 5.070 1 0 KKAFRM CCCN(Cc1n[nH]c(=O)[n-]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000096248110 562792843 /nfs/dbraw/zinc/79/28/43/562792843.db2.gz PCUHKXFCORPXBB-LJQANCHMSA-N -1 0 502.459 5.718 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000096258567 562792916 /nfs/dbraw/zinc/79/29/16/562792916.db2.gz IPDLKUJERQCVPG-NDEPHWFRSA-N -1 0 605.619 5.445 1 0 KKAFRM O=C([O-])C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000096258553 562792921 /nfs/dbraw/zinc/79/29/21/562792921.db2.gz OJJHPFAIGQGOIP-MUUNZHRXSA-N -1 0 638.529 6.474 1 0 KKAFRM CS(=O)(=O)CCCOc1ccc(-c2ccc(F)c([C@@H]3COc4cc5c(cc4O3)OC[C@H]5CC(=O)[O-])c2)c(Cl)c1 ZINC000096269880 562793068 /nfs/dbraw/zinc/79/30/68/562793068.db2.gz BRSQQSIXEONPIL-CRYYWNKWSA-N -1 0 577.026 5.423 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@H](CC(=O)[O-])CC4)cc2C2=CCCC2(C)C)c1 ZINC000096270305 562793164 /nfs/dbraw/zinc/79/31/64/562793164.db2.gz BNEVNHKLOYIPRT-JOCHJYFZSA-N -1 0 500.610 7.788 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(c2cccc3ncccc32)=NO1 ZINC000096271095 562793690 /nfs/dbraw/zinc/79/36/90/562793690.db2.gz NTAQJAJGEJPNHM-QABMSTFYSA-N -1 0 591.451 5.489 1 0 KKAFRM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)[O-])P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000096271151 562793729 /nfs/dbraw/zinc/79/37/29/562793729.db2.gz SSMWFUMJLPTKNG-XZOQPEGZSA-N -1 0 548.573 5.584 1 0 KKAFRM C/C(=C\COc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)[O-])O2)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272102 562793983 /nfs/dbraw/zinc/79/39/83/562793983.db2.gz DMIFJFOCRQPHBQ-FUKNMYNJSA-N -1 0 528.818 9.544 1 0 KKAFRM O=C([O-])CC1CCC(c2ccc(-c3nc4cc(NC(=O)c5cc6ccccc6s5)ccc4[nH]3)cc2)CC1 ZINC000096273593 562794608 /nfs/dbraw/zinc/79/46/08/562794608.db2.gz PCSXYRSHKPKVFX-UHFFFAOYSA-N -1 0 509.631 7.445 1 0 KKAFRM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000096283810 562794997 /nfs/dbraw/zinc/79/49/97/562794997.db2.gz GELUCZZKUJDMCD-DEOSSOPVSA-N -1 0 513.981 5.699 1 0 KKAFRM CCOC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000096284652 562795227 /nfs/dbraw/zinc/79/52/27/562795227.db2.gz WJGGWGUJFYCCQS-UHFFFAOYSA-N -1 0 698.838 7.048 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096888421 562796706 /nfs/dbraw/zinc/79/67/06/562796706.db2.gz NBBUXKVHEBJTJP-ZTEJNSIYSA-N -1 0 511.747 6.558 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6nccnc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096902050 562797215 /nfs/dbraw/zinc/79/72/15/562797215.db2.gz DCWLHQJGYFUBRS-XBAIHTHASA-N -1 0 547.784 6.493 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7ccccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000096902394 562797380 /nfs/dbraw/zinc/79/73/80/562797380.db2.gz KSBKDYIBXPAVCO-PRFWLZAHSA-N -1 0 584.845 8.184 1 0 KKAFRM 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ZINC000115372249 562828842 /nfs/dbraw/zinc/82/88/42/562828842.db2.gz YTQLUZBGWZQARS-FGZHOGPDSA-N -1 0 611.909 7.844 1 0 KKAFRM COc1cc(CC(=O)[O-])ccc1Oc1ccc2[nH]c(C3CC3)cc2c1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000117752615 562829871 /nfs/dbraw/zinc/82/98/71/562829871.db2.gz IWIQCOQSIIZLAR-UHFFFAOYSA-N -1 0 561.443 6.581 1 0 KKAFRM O=C([O-])CN(C1(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)CCC1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000118576118 562830385 /nfs/dbraw/zinc/83/03/85/562830385.db2.gz OWTNWQIYMJJSLO-UHFFFAOYSA-N -1 0 556.414 6.417 1 0 KKAFRM C[C@H](NC(=O)c1c(Cl)sc(Cl)c1[C@@H](O[C@H]1CCCCO1)c1cccc(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000118692879 562830483 /nfs/dbraw/zinc/83/04/83/562830483.db2.gz UUZOSJJYPGRLFD-DVXDUOKCSA-N -1 0 568.906 7.530 1 0 KKAFRM CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCc1nnn[n-]1)C(=O)C2 ZINC000118790536 562830585 /nfs/dbraw/zinc/83/05/85/562830585.db2.gz FOCZOWVAISYOAB-NDEPHWFRSA-N -1 0 534.016 5.217 1 0 in-vitro KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(COc2ccc3ccccc3c2)cc1)c1ccccc1Cl ZINC000118911186 562830792 /nfs/dbraw/zinc/83/07/92/562830792.db2.gz JICJPQPYGABFFN-UHFFFAOYSA-N -1 0 501.995 6.330 1 0 KKAFRM O=S(=O)([N-]c1nccnc1-c1ccc(Cn2ccc3ccc(F)cc32)cc1)c1ccccc1C(F)(F)F ZINC000118911340 562830817 /nfs/dbraw/zinc/83/08/17/562830817.db2.gz YSOFERFBJRXWPH-UHFFFAOYSA-N -1 0 526.515 6.105 1 0 KKAFRM COc1ccc2nc(NC(=O)C(=O)C(=C([O-])c3ccccc3-c3ccccc3)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619266 562831498 /nfs/dbraw/zinc/83/14/98/562831498.db2.gz BLJDQTUQBFVYHN-LITSAYRRSA-N -1 0 562.603 5.890 1 0 KKAFRM CCCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000137695247 562831507 /nfs/dbraw/zinc/83/15/07/562831507.db2.gz IVAHQLWEFRRXFT-SAPNQHFASA-N -1 0 620.750 7.076 1 0 KKAFRM COc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccnc2)c1 ZINC000138250375 562831802 /nfs/dbraw/zinc/83/18/02/562831802.db2.gz SUBPIBZYYJSSHV-UHFFFAOYSA-N -1 0 503.628 5.701 1 0 KKAFRM CCc1ccccc1NC(=O)N1CCOc2cc(-c3ccc(OC4CCC(C(=O)[O-])CC4)nc3)ccc21 ZINC000139478560 562832530 /nfs/dbraw/zinc/83/25/30/562832530.db2.gz WQSOOGAOWFMJEQ-UHFFFAOYSA-N -1 0 501.583 5.764 1 0 KKAFRM CC(C)[C@H](c1ccc(C(=O)NCc2nnn[n-]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000140235431 562832936 /nfs/dbraw/zinc/83/29/36/562832936.db2.gz WXHNDUQKMPKVNA-XMEWBWSMSA-N -1 0 610.590 6.398 1 0 KKAFRM CCO[C@@H](c1cc(COc2cccc([C@@H](CC(=O)[O-])C3CC3)c2)ccc1-c1cc(OC)ccc1F)C(C)(C)C ZINC000141919881 562833832 /nfs/dbraw/zinc/83/38/32/562833832.db2.gz AAXGNQYETKQKSK-UCGGBYDDSA-N -1 0 534.668 8.172 1 0 KKAFRM COc1c(C(=O)[O-])ccc2c1CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000142058239 562833917 /nfs/dbraw/zinc/83/39/17/562833917.db2.gz FKOBAHHZUSXBIA-AREMUKBSSA-N -1 0 556.566 5.950 1 0 KKAFRM Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC[C@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)no1 ZINC000142247926 562834050 /nfs/dbraw/zinc/83/40/50/562834050.db2.gz IAWVOODBIZSXKE-LJQANCHMSA-N -1 0 536.913 5.209 1 0 KKAFRM O=C([O-])[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(F)(F)F ZINC000145667821 562837460 /nfs/dbraw/zinc/83/74/60/562837460.db2.gz BASVASFOLNEJSI-QYZOEREBSA-N -1 0 518.513 5.337 1 0 KKAFRM COc1ccc(/C(=C(\c2ccc(C=CC(=O)[O-])cc2)c2ccc3[nH]nc(F)c3c2)C2CCC2)c(Cl)c1 ZINC000146351602 562838471 /nfs/dbraw/zinc/83/84/71/562838471.db2.gz KNRFCBRPNRVBDW-IELKENRMSA-N -1 0 502.973 7.221 1 0 KKAFRM CC(C)(C)CC[C@H](c1ccc(C(=O)NCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000146688405 562838774 /nfs/dbraw/zinc/83/87/74/562838774.db2.gz DTDINNGNEVHZRS-MTABRHERSA-N -1 0 628.641 7.939 1 0 KKAFRM C[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2ccccc2F)=NC12CCC(C(C)(C)C)CC2 ZINC000147318201 562839277 /nfs/dbraw/zinc/83/92/77/562839277.db2.gz IMOOIXYZIQOPFP-FPMXYRNVSA-N -1 0 521.633 5.355 1 0 KKAFRM CC(C)(C)C1CCC2(CC1)N=C(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000147317087 562839289 /nfs/dbraw/zinc/83/92/89/562839289.db2.gz 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COc1cc([C@@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6Cl)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000150537532 562844014 /nfs/dbraw/zinc/84/40/14/562844014.db2.gz XDGDPJLHUMZQBN-IKCXEYKWSA-N -1 0 884.505 8.402 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccc2cc1OCO2 ZINC000150566868 562845016 /nfs/dbraw/zinc/84/50/16/562845016.db2.gz QVCHOZHWFWHATD-HVPBSWBLSA-N -1 0 777.271 6.274 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccc2cc1OCO2 ZINC000150567248 562845017 /nfs/dbraw/zinc/84/50/17/562845017.db2.gz ROIAZXKKPARVII-OIHWHRODSA-N -1 0 777.271 6.274 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C/CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]2C1 ZINC000150567757 562845026 /nfs/dbraw/zinc/84/50/26/562845026.db2.gz YUGQTUXWJYXLLJ-BPVMCTJYSA-N -1 0 787.936 5.176 1 0 KKAFRM CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)[N-]S(=O)(=O)N(C)C)cc3n1C2 ZINC000150598307 562846824 /nfs/dbraw/zinc/84/68/24/562846824.db2.gz MTTZZZXOFXUQFU-GHJADWOBSA-N -1 0 673.880 5.083 1 0 KKAFRM C=Cc1cc([C@H]([NH3+])C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599565 562847037 /nfs/dbraw/zinc/84/70/37/562847037.db2.gz VJKQLVIYEIGYOL-HKBQPEDESA-N -1 0 703.699 6.364 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)N2CCOCC2)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599973 562847049 /nfs/dbraw/zinc/84/70/49/562847049.db2.gz JUJGZBLPUZJPDJ-DHUJRADRSA-N -1 0 816.815 6.447 1 0 KKAFRM C=Cc1cc([C@@H](NC(=O)N2CCOCC2)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599977 562847091 /nfs/dbraw/zinc/84/70/91/562847091.db2.gz JUJGZBLPUZJPDJ-PGUFJCEWSA-N -1 0 816.815 6.447 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000162665646 562849283 /nfs/dbraw/zinc/84/92/83/562849283.db2.gz VLOPNYYNACVDTC-WGDIFIGCSA-N -1 0 651.328 7.144 1 0 KKAFRM O=C(NCCS(=O)(=O)[O-])c1ccc([C@H]2C[C@@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000163858392 562849425 /nfs/dbraw/zinc/84/94/25/562849425.db2.gz KCIHDFUMQGXFFF-DHIUTWEWSA-N -1 0 661.991 7.647 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@@]3(CN(C(C)=O)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165412966 562850239 /nfs/dbraw/zinc/85/02/39/562850239.db2.gz QXOYQHCEVZXYSB-BRXSWJRSSA-N -1 0 728.912 5.027 1 0 KKAFRM CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCC(=O)[O-])CC1 ZINC000165420897 562850265 /nfs/dbraw/zinc/85/02/65/562850265.db2.gz DHUGCWNOAWLBFL-NEEKEDPPSA-N -1 0 728.712 6.215 1 0 KKAFRM Cc1cc2[nH]c(-c3c(F)c(F)c(-c4cccc(OCc5ccccc5)c4)c(F)c3F)nc2c(C(=O)[O-])c1 ZINC000168577299 562851500 /nfs/dbraw/zinc/85/15/00/562851500.db2.gz GNXONVGAKKOVMS-UHFFFAOYSA-N -1 0 506.455 7.039 1 0 KKAFRM Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4csc(C(=O)NCC(=O)[O-])c4)c3)cc2)c1 ZINC000169025127 562851598 /nfs/dbraw/zinc/85/15/98/562851598.db2.gz SHDKGZPSIAIFTD-UHFFFAOYSA-N -1 0 520.542 5.508 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000169240479 562851675 /nfs/dbraw/zinc/85/16/75/562851675.db2.gz QJINHOLALXGEQU-SANMLTNESA-N -1 0 543.982 5.799 1 0 KKAFRM CC(C)=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@](C)(CC[C@@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000169298317 562852667 /nfs/dbraw/zinc/85/26/67/562852667.db2.gz HGMVESCHSMFWDD-YSOVIGPWSA-N -1 0 568.795 7.060 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)C(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307808 562853938 /nfs/dbraw/zinc/85/39/38/562853938.db2.gz HKMNSIXDWLMKFA-JVUUKAHWSA-N -1 0 608.584 6.093 1 0 KKAFRM CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308589 562854133 /nfs/dbraw/zinc/85/41/33/562854133.db2.gz VDQLAKGBBNJZGE-LJAQVGFWSA-N -1 0 663.676 5.559 1 0 KKAFRM CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308606 562854162 /nfs/dbraw/zinc/85/41/62/562854162.db2.gz SXHQMHQNTMQLON-GDLZYMKVSA-N -1 0 681.666 5.698 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309645 562854432 /nfs/dbraw/zinc/85/44/32/562854432.db2.gz NMPHGOIIKGHVBC-UNVYQVKTSA-N -1 0 658.648 6.780 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cn2cc(C(=O)[O-])cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309652 562854444 /nfs/dbraw/zinc/85/44/44/562854444.db2.gz URNIBHZXTBEEAS-RBUURGHLSA-N -1 0 646.637 6.644 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc([C@H](F)C(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000169310015 562854561 /nfs/dbraw/zinc/85/45/61/562854561.db2.gz GETYJEOBBNSQJM-VDUMBMIZSA-N -1 0 713.696 7.982 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(C)(C)C(=O)[O-])s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169310012 562854584 /nfs/dbraw/zinc/85/45/84/562854584.db2.gz GAWODCRVYATSKO-KFBOFYSKSA-N -1 0 705.770 8.110 1 0 KKAFRM C[C@H](CC(=O)[O-])NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=NC23CCC(C(C)(C)C)CC3)cc1 ZINC000169313225 562855591 /nfs/dbraw/zinc/85/55/91/562855591.db2.gz FKLMGSIRRLOLAI-KKUHACJMSA-N -1 0 656.695 8.718 1 0 KKAFRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=NC23CCC(C(C)(C)C)CC3)cc1 ZINC000169313227 562855595 /nfs/dbraw/zinc/85/55/95/562855595.db2.gz FKLMGSIRRLOLAI-MJJHDLRKSA-N -1 0 656.695 8.718 1 0 KKAFRM CC(=C\c1csc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)Cc2c[nH]c3ccccc23)n1)/C=C(/C)C(=O)OCC(=O)[O-] ZINC000169322014 562856799 /nfs/dbraw/zinc/85/67/99/562856799.db2.gz IXOSMKLEIWHMNK-USIQRQDVSA-N -1 0 649.769 6.824 1 0 KKAFRM O=C([O-])CCc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1O ZINC000169329522 562858539 /nfs/dbraw/zinc/85/85/39/562858539.db2.gz ZWDOPJIDJVZVNR-UHFFFAOYSA-N -1 0 501.461 5.253 1 0 KKAFRM O=C([O-])CCc1cc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)ccc1O ZINC000169329503 562858559 /nfs/dbraw/zinc/85/85/59/562858559.db2.gz WGBJJTFNQBLVNS-UHFFFAOYSA-N -1 0 501.461 5.253 1 0 KKAFRM O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN(CCOc4cc(=O)c5c(O)c(-c6ccc(O)cc6)coc-5c4)CC3)c(F)cc2c1=O ZINC000169337465 562860102 /nfs/dbraw/zinc/86/01/02/562860102.db2.gz ODJGPGMCSRPBJU-UHFFFAOYSA-N -1 0 681.648 5.353 1 0 KKAFRM Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000169340183 562860585 /nfs/dbraw/zinc/86/05/85/562860585.db2.gz RQJQNVSTGXFGDV-UHFFFAOYSA-N -1 0 534.620 6.330 1 0 KKAFRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000169341861 562860902 /nfs/dbraw/zinc/86/09/02/562860902.db2.gz AYDDINMYDHOBQX-UHFFFAOYSA-N -1 0 533.553 6.070 1 0 KKAFRM Cc1nc(-c2cccc(-c3cnn(C)c3)c2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)[O-] ZINC000169352745 562863251 /nfs/dbraw/zinc/86/32/51/562863251.db2.gz PMDBBHBNIHVBEJ-PMERELPUSA-N -1 0 525.649 6.699 1 0 KKAFRM CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)CN1c1nc(N2CCC(C(=O)[O-])CC2)ncc1Cl ZINC000169703222 562868658 /nfs/dbraw/zinc/86/86/58/562868658.db2.gz KNZULKNZXNLKRR-RPBOFIJWSA-N -1 0 743.153 6.159 1 0 KKAFRM CC(=O)Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704393 562868899 /nfs/dbraw/zinc/86/88/99/562868899.db2.gz OEUADIBRAMZTMO-AREMUKBSSA-N -1 0 569.565 5.591 1 0 KKAFRM COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1-c1cnc(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709062 562870338 /nfs/dbraw/zinc/87/03/38/562870338.db2.gz KNWQVUVOSNPPMV-LYVYPOQBSA-N -1 0 699.648 8.931 1 0 KKAFRM O=S(=O)([N-]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)C(F)(F)F ZINC000169710781 562870757 /nfs/dbraw/zinc/87/07/57/562870757.db2.gz MVVFGYFCZLTASL-UHFFFAOYSA-N -1 0 606.985 6.944 1 0 KKAFRM CC(C)[C@@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000195452620 562871919 /nfs/dbraw/zinc/87/19/19/562871919.db2.gz NBEXCWSOFZSABN-SVGYWBMUSA-N -1 0 631.690 5.208 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(Cl)cc3)cc12 ZINC000198495017 562872706 /nfs/dbraw/zinc/87/27/06/562872706.db2.gz LLGJZGDGJMRTCY-UHFFFAOYSA-N -1 0 523.032 7.255 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12 ZINC000198507753 562872746 /nfs/dbraw/zinc/87/27/46/562872746.db2.gz PCAGDDUBDAYPIT-UHFFFAOYSA-N -1 0 556.058 7.397 1 0 KKAFRM Cc1c(C)n(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12 ZINC000198511560 562872748 /nfs/dbraw/zinc/87/27/48/562872748.db2.gz LEEDJQRWXKMKCB-IBGZPJMESA-N -1 0 545.477 6.676 1 0 KKAFRM Cc1cn(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12 ZINC000198620385 562872832 /nfs/dbraw/zinc/87/28/32/562872832.db2.gz UVRGRITZFLRYEU-NRFANRHFSA-N -1 0 567.483 7.617 1 0 KKAFRM Cc1c(C)n(Cc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000198923011 562872870 /nfs/dbraw/zinc/87/28/70/562872870.db2.gz IQIHMAOJLLASGE-QFIPXVFZSA-N -1 0 508.662 7.037 1 0 KKAFRM CCCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1cccc(C(C)C)c1 ZINC000199335905 562872902 /nfs/dbraw/zinc/87/29/02/562872902.db2.gz RDCMWNANKKFTAL-BHVANESWSA-N -1 0 586.776 9.456 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(Cl)cc(Cl)c3)cc12 ZINC000199476024 562872990 /nfs/dbraw/zinc/87/29/90/562872990.db2.gz JPDJIJPTRINDQA-FQEVSTJZSA-N -1 0 571.504 8.469 1 0 KKAFRM COCCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000201628878 562873573 /nfs/dbraw/zinc/87/35/73/562873573.db2.gz AALIZYLGENSXER-JLHYYAGUSA-N -1 0 672.182 6.361 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1 ZINC000202310852 562873649 /nfs/dbraw/zinc/87/36/49/562873649.db2.gz YXFZZYOJUFDAKE-HHHXNRCGSA-N -1 0 560.046 7.366 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]c1=O ZINC000202311032 562873650 /nfs/dbraw/zinc/87/36/50/562873650.db2.gz MCQPOVKFZUSIKA-LJAQVGFWSA-N -1 0 553.014 5.853 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OCc3ccsc3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202318065 562873655 /nfs/dbraw/zinc/87/36/55/562873655.db2.gz YZBHAGQOPQAVNB-LJAQVGFWSA-N -1 0 518.034 5.928 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nc2ccc(-c3ccc(Cl)cc3)cn2c1Cl ZINC000202324975 562873736 /nfs/dbraw/zinc/87/37/36/562873736.db2.gz WTFGOZAIRGFZIW-RUZDIDTESA-N -1 0 560.437 6.313 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(C(F)(F)C2CC2)c(Cl)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203668156 562874049 /nfs/dbraw/zinc/87/40/49/562874049.db2.gz RWDVLHZFVUVTNK-UHFFFAOYSA-N -1 0 557.018 6.792 1 0 KKAFRM C[NH+]1CCC(n2cc(Nc3c(C(=O)C(C)(C)C)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)CC1 ZINC000203989094 562874293 /nfs/dbraw/zinc/87/42/93/562874293.db2.gz ZHKQBMMFKGCFLE-UHFFFAOYSA-N -1 0 536.051 6.836 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000204359425 562874400 /nfs/dbraw/zinc/87/44/00/562874400.db2.gz IEGCUTQNPLEXQA-UHFFFAOYSA-N -1 0 501.486 5.051 1 0 KKAFRM C[C@@H](NC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])cc1)c1ccccc1 ZINC000204946180 562874634 /nfs/dbraw/zinc/87/46/34/562874634.db2.gz NJVJKWJPINHWAL-GOSISDBHSA-N -1 0 573.501 8.640 1 0 KKAFRM CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)CC1 ZINC000205027202 562874789 /nfs/dbraw/zinc/87/47/89/562874789.db2.gz QEFBVOQAWKASGC-UHFFFAOYSA-N -1 0 580.493 6.453 1 0 KKAFRM O=C([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000205045367 562874879 /nfs/dbraw/zinc/87/48/79/562874879.db2.gz IPTAIKAYCKAYIJ-UHFFFAOYSA-N -1 0 627.471 9.098 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(Br)cc3)cc12 ZINC000205970049 562875995 /nfs/dbraw/zinc/87/59/95/562875995.db2.gz WLXACAYPZDGLHI-UHFFFAOYSA-N -1 0 567.483 7.364 1 0 KKAFRM COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1 ZINC000205964608 562876019 /nfs/dbraw/zinc/87/60/19/562876019.db2.gz QNANVKGUWWFSIH-JOCHJYFZSA-N -1 0 532.640 7.171 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccnc(C4CC4)c3)cc12 ZINC000205975632 562876054 /nfs/dbraw/zinc/87/60/54/562876054.db2.gz DDXPQDHQGVAGBN-QFIPXVFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)(C)C)cc3)cc12 ZINC000205979858 562876055 /nfs/dbraw/zinc/87/60/55/562876055.db2.gz RERJUQORLQTXGB-DEOSSOPVSA-N -1 0 574.721 8.340 1 0 KKAFRM COc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)[O-])cc2)cc1F ZINC000205982750 562876061 /nfs/dbraw/zinc/87/60/61/562876061.db2.gz RAYLRVXTWGAYSN-UHFFFAOYSA-N -1 0 536.603 6.749 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000205985746 562876078 /nfs/dbraw/zinc/87/60/78/562876078.db2.gz HJSFJKFQTHNUFG-JTHBVZDNSA-N -1 0 512.650 6.773 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12 ZINC000206009034 562876141 /nfs/dbraw/zinc/87/61/41/562876141.db2.gz HDXXVUNXHRYZMZ-DEOSSOPVSA-N -1 0 560.694 7.950 1 0 KKAFRM COc1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C5CC5)c4)ccc32)cc1O[C@@H](C)C(=O)[O-] ZINC000206001307 562876150 /nfs/dbraw/zinc/87/61/50/562876150.db2.gz YXXMRFGJLLYDME-UNMCSNQZSA-N -1 0 540.660 6.535 1 0 KKAFRM Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12 ZINC000206004778 562876157 /nfs/dbraw/zinc/87/61/57/562876157.db2.gz MXOHVGBFHYSDRF-GMAHTHKFSA-N -1 0 512.650 6.773 1 0 KKAFRM Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)[N-]c3nccs3)ccc21 ZINC000206131860 562876324 /nfs/dbraw/zinc/87/63/24/562876324.db2.gz WSDDORJHYGSRLF-UHFFFAOYSA-N -1 0 514.554 6.183 1 0 KKAFRM COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@@H](C)[C@@H]4CC(=O)[O-])cc3)c(C)c2)c1 ZINC000210009153 562876990 /nfs/dbraw/zinc/87/69/90/562876990.db2.gz BICVZUYPVRKWQB-UGDMGKLASA-N -1 0 522.620 7.104 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4)c3c2)nc1 ZINC000218059990 562877817 /nfs/dbraw/zinc/87/78/17/562877817.db2.gz FFZTZQDRYOEIPO-BJKOFHAPSA-N -1 0 520.427 5.954 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)cc1F)C(=O)[O-] ZINC000218262166 562877894 /nfs/dbraw/zinc/87/78/94/562877894.db2.gz HUBJRKXPDZVDAW-UHFFFAOYSA-N -1 0 548.537 5.868 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccoc3)cc2)CCCC1 ZINC000219332765 562878058 /nfs/dbraw/zinc/87/80/58/562878058.db2.gz UTJPFKJQPYNSKZ-UHFFFAOYSA-N -1 0 557.650 7.659 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000219363390 562878079 /nfs/dbraw/zinc/87/80/79/562878079.db2.gz KACMMGVJLMDWMY-UHFFFAOYSA-N -1 0 534.443 7.172 1 0 KKAFRM CC1(C)[C@H](C(=O)[O-])[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000219380442 562878158 /nfs/dbraw/zinc/87/81/58/562878158.db2.gz MMLYXRWVZASXHB-RPBOFIJWSA-N -1 0 562.489 6.860 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000219492264 562878226 /nfs/dbraw/zinc/87/82/26/562878226.db2.gz RQBNBBRYBYCCLE-UHFFFAOYSA-N -1 0 559.588 7.418 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OC(F)(F)F)cc1F ZINC000219477620 562878235 /nfs/dbraw/zinc/87/82/35/562878235.db2.gz HHTSKRULZHVWQT-RPBOFIJWSA-N -1 0 593.577 7.608 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(F)cc2)CCCC1 ZINC000219448760 562878256 /nfs/dbraw/zinc/87/82/56/562878256.db2.gz GNIATZFOJBZLIZ-UHFFFAOYSA-N -1 0 509.581 6.538 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3ccnc(Br)c3)cc12 ZINC000220439513 562878462 /nfs/dbraw/zinc/87/84/62/562878462.db2.gz KRCUARCKAHLZKP-FQEVSTJZSA-N -1 0 582.498 7.320 1 0 KKAFRM Cc1ccc(Cn2c3ccc(OCc4ccc5ccccc5n4)cc3nc2[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000220523915 562878538 /nfs/dbraw/zinc/87/85/38/562878538.db2.gz KKKGHZOROANUFU-KAYWLYCHSA-N -1 0 505.618 6.879 1 0 KKAFRM COc1ncc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cn1 ZINC000220525934 562878585 /nfs/dbraw/zinc/87/85/85/562878585.db2.gz UZDIHMPLXFQIQK-IHLOFXLRSA-N -1 0 599.691 7.036 1 0 KKAFRM CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1CCCO[C@@H]1CO[P@@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-] ZINC000220960709 562878696 /nfs/dbraw/zinc/87/86/96/562878696.db2.gz BXPAEAOWDIDHFC-DOEKTCAHSA-N -1 0 601.674 5.165 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(OC(F)(F)F)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221276328 562878942 /nfs/dbraw/zinc/87/89/42/562878942.db2.gz OHUNVYSLTQTYAL-UHFFFAOYSA-N -1 0 606.022 5.711 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)[O-])n(Cc4ccc(Br)c(F)c4)c3c2)nc1 ZINC000221567438 562879024 /nfs/dbraw/zinc/87/90/24/562879024.db2.gz UUNMYGIQPWDJJC-FGZHOGPDSA-N -1 0 552.444 6.627 1 0 KKAFRM CN(C)C(=O)c1ccc(-n2nc(-c3ccc(C(=O)[O-])cc3)cc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000221664580 562879102 /nfs/dbraw/zinc/87/91/02/562879102.db2.gz DXGJLPTZLVIFFO-UHFFFAOYSA-N -1 0 523.677 7.201 1 0 KKAFRM COc1ccc2nc(C(F)(F)F)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1)O3 ZINC000222540950 562879851 /nfs/dbraw/zinc/87/98/51/562879851.db2.gz QFVWYWONWAKCAK-OMIUBWHRSA-N -1 0 833.927 5.214 1 0 KKAFRM Cc1n[nH]c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)[N-]S(=O)(=O)c3ccccc3)[nH]c21 ZINC000222681760 562879891 /nfs/dbraw/zinc/87/98/91/562879891.db2.gz OJQWQPQFXYWZBV-UHFFFAOYSA-N -1 0 591.133 6.575 1 0 KKAFRM Cc1cc(OCCCc2c3cccc(-c4cccnc4)c3[nH]c2C(=O)[N-]S(=O)(=O)c2ccccc2)cc(C)c1Cl ZINC000222677627 562879896 /nfs/dbraw/zinc/87/98/96/562879896.db2.gz DKBRDQPCALJYNG-UHFFFAOYSA-N -1 0 574.102 6.630 1 0 KKAFRM COc1cc(NC(=O)C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ccc1C(=O)[O-] ZINC000223144735 562880075 /nfs/dbraw/zinc/88/00/75/562880075.db2.gz JVBGVXAXEZXWTE-MCUOQOIASA-N -1 0 729.723 7.784 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)[O-])c(Cl)c3)c2)CC1 ZINC000224419977 562880450 /nfs/dbraw/zinc/88/04/50/562880450.db2.gz LZXYVBQGMXXZLD-UHFFFAOYSA-N -1 0 557.018 7.167 1 0 KKAFRM Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(S(=O)(=O)[N-]C(=O)Nc3ccccc3)cnn21 ZINC000224733827 562880522 /nfs/dbraw/zinc/88/05/22/562880522.db2.gz PLAGXBSBVXNYJE-UHFFFAOYSA-N -1 0 627.702 5.451 1 0 KKAFRM COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3nnc(Cl)s3)ccc21 ZINC000225055631 562880703 /nfs/dbraw/zinc/88/07/03/562880703.db2.gz NKAHGVTVNHDDOI-UHFFFAOYSA-N -1 0 500.911 5.235 1 0 KKAFRM COc1cc(-c2ccc(F)c(F)c2)c(F)cc1-c1nccc2cc(S(=O)(=O)[N-]c3nncs3)ccc21 ZINC000225129162 562880781 /nfs/dbraw/zinc/88/07/81/562880781.db2.gz CNGCTKFREVFEEY-UHFFFAOYSA-N -1 0 528.537 5.647 1 0 KKAFRM COc1cc(-c2c(C)ccnc2F)ccc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000225136773 562880802 /nfs/dbraw/zinc/88/08/02/562880802.db2.gz JPEFUJZEPPNODM-UHFFFAOYSA-N -1 0 501.543 5.011 1 0 KKAFRM Cc1cccc(COc2ccc3nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000226017330 562880853 /nfs/dbraw/zinc/88/08/53/562880853.db2.gz IQGUYLDZHVTCEK-BJKOFHAPSA-N -1 0 520.427 5.954 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4C)c3c2)nc1 ZINC000226029342 562880888 /nfs/dbraw/zinc/88/08/88/562880888.db2.gz YDBJODCFHQOAID-RPBOFIJWSA-N -1 0 553.581 6.932 1 0 KKAFRM Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(OC(F)(F)F)cc4Br)c3c2)nc1 ZINC000226048522 562880895 /nfs/dbraw/zinc/88/08/95/562880895.db2.gz QWOLFXPCDNAVNH-PKTZIBPZSA-N -1 0 618.450 7.387 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3cc[nH]n3)c2)CCCC1 ZINC000226107566 562880971 /nfs/dbraw/zinc/88/09/71/562880971.db2.gz NGQHPDDBVYCBPP-UHFFFAOYSA-N -1 0 557.654 6.789 1 0 KKAFRM CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3cscn3)c2)[C@@H]1C(=O)[O-] ZINC000226104481 562880980 /nfs/dbraw/zinc/88/09/80/562880980.db2.gz XAWOHAVEKODMTB-XZWHSSHBSA-N -1 0 560.679 7.160 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccccc1-c1ccc(C(F)(F)F)nc1)C(=O)[O-] ZINC000226104378 562880987 /nfs/dbraw/zinc/88/09/87/562880987.db2.gz YQBOPGPPYNTLIL-UHFFFAOYSA-N -1 0 610.636 7.946 1 0 KKAFRM CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc[nH]2)cc1)C(=O)[O-] ZINC000226120542 562880989 /nfs/dbraw/zinc/88/09/89/562880989.db2.gz CGPRRHYQEQBAKV-UHFFFAOYSA-N -1 0 530.628 6.860 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1cccc(-c2ncccn2)c1 ZINC000226107926 562880997 /nfs/dbraw/zinc/88/09/97/562880997.db2.gz KKNHFBZVLAMUMI-WDYNHAJCSA-N -1 0 569.665 7.027 1 0 KKAFRM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)nc2)cc1 ZINC000226116951 562881006 /nfs/dbraw/zinc/88/10/06/562881006.db2.gz BJLQJOSKONNKBA-XZWHSSHBSA-N -1 0 636.674 8.651 1 0 KKAFRM O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000253638459 562882446 /nfs/dbraw/zinc/88/24/46/562882446.db2.gz RDDGVDXVIDYSSC-YPAWHYETSA-N -1 0 589.680 5.390 1 0 KKAFRM O=C(Cc1ccc(NC(=O)c2nsc3ccccc32)c(Cl)c1)N1C[C@@H](F)C[C@H]1CO[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253684969 562882863 /nfs/dbraw/zinc/88/28/63/562882863.db2.gz UTUZWCKWKQRGHD-MUGJNUQGSA-N -1 0 574.074 5.344 1 0 KKAFRM Cn1c2cc(O)c(C(=O)[O-])cc2c(I)c1-c1cccc(NC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000299824003 562883161 /nfs/dbraw/zinc/88/31/61/562883161.db2.gz AGSICTIJMBRYGB-UHFFFAOYSA-N -1 0 675.479 7.003 1 0 KKAFRM Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccc(C)cc3)cc2)s1 ZINC000299824110 562883192 /nfs/dbraw/zinc/88/31/92/562883192.db2.gz KPHFWRFVPLFQJP-QHCPKHFHSA-N -1 0 536.704 6.293 1 0 KKAFRM COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)[N-]S(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1F ZINC000299825325 562883511 /nfs/dbraw/zinc/88/35/11/562883511.db2.gz BYPMXQSCKKNTGN-NTUMXORWSA-N -1 0 768.934 5.116 1 0 KKAFRM CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)[O-])cc1CNC(=O)c1ccc(N2C3CC4CC(C3)CC2C4)cc1 ZINC000299826304 562883800 /nfs/dbraw/zinc/88/38/00/562883800.db2.gz GRIHSHBOOIEZBN-YQNGJPPUSA-N -1 0 566.742 6.659 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])c(Cl)c4)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299826313 562883808 /nfs/dbraw/zinc/88/38/08/562883808.db2.gz FTBWZCLKGVBEHT-NTCAYCPXSA-N -1 0 597.115 6.940 1 0 KKAFRM CCOc1ccc2[nH]c3c(c2c1)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]12C)C3(C)C ZINC000299830191 562885140 /nfs/dbraw/zinc/88/51/40/562885140.db2.gz WZWFTALGEUKJLU-KYAGTIGYSA-N -1 0 571.846 9.323 1 0 KKAFRM CCCNS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000299830670 562885345 /nfs/dbraw/zinc/88/53/45/562885345.db2.gz XSNRRZFFLOPOHP-YWCVFVGNSA-N -1 0 581.562 5.640 1 0 KKAFRM O=C1CS[C@@H](c2cccs2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299831446 562885584 /nfs/dbraw/zinc/88/55/84/562885584.db2.gz PVXMBSAGGKXACH-NRFANRHFSA-N -1 0 534.519 6.554 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4c(F)cc(/C=C/C(=O)[O-])cc4F)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299839554 562888210 /nfs/dbraw/zinc/88/82/10/562888210.db2.gz SMQVWAALWHPWQD-JLHYYAGUSA-N -1 0 598.650 6.565 1 0 KKAFRM 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KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)n(C)c(-c2ccc(Cl)cn2)c3C2CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299855868 562891836 /nfs/dbraw/zinc/89/18/36/562891836.db2.gz BTHFEYRKWHAWEH-BUHFOSPRSA-N -1 0 617.106 5.595 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cncnc3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299861301 562893310 /nfs/dbraw/zinc/89/33/10/562893310.db2.gz IERNCPORZKFIKV-JLHYYAGUSA-N -1 0 594.672 5.086 1 0 KKAFRM COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)c(C)c(-c2ccc(F)cn2)n3C2CCCCC2)ccc1/C=C/C(=O)[O-] ZINC000299861850 562893409 /nfs/dbraw/zinc/89/34/09/562893409.db2.gz LZSZRUJQYFUJAX-SFQUDFHCSA-N -1 0 613.690 6.305 1 0 KKAFRM COc1ccc(Cn2c(-c3ccccc3O)nn(CN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c2=S)cc1 ZINC000299868251 562895040 /nfs/dbraw/zinc/89/50/40/562895040.db2.gz ZKVSNCWZCXEQCH-UHFFFAOYSA-N -1 0 656.740 5.110 1 0 KKAFRM CCOP(=O)(OCC)c1cn[n-]c1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299869183 562895278 /nfs/dbraw/zinc/89/52/78/562895278.db2.gz UEAVUBNISVRGBF-UHFFFAOYSA-N -1 0 508.393 5.829 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cncnc3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299871560 562895762 /nfs/dbraw/zinc/89/57/62/562895762.db2.gz YQQJNGMNBQIDDP-NTCAYCPXSA-N -1 0 622.726 5.866 1 0 KKAFRM CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@@H](C(=O)[O-])C[C@H]3O)n2C2CCCCC2)ccn1 ZINC000299871946 562895784 /nfs/dbraw/zinc/89/57/84/562895784.db2.gz ZNXYLXPOVFQCEW-AGILITTLSA-N -1 0 552.672 5.921 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 ZINC000473083585 562896829 /nfs/dbraw/zinc/89/68/29/562896829.db2.gz BZGPVCYWDARBEG-JGCGQSQUSA-N -1 0 644.690 8.605 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 ZINC000473083605 562896830 /nfs/dbraw/zinc/89/68/30/562896830.db2.gz BZGPVCYWDARBEG-YTTGMZPUSA-N -1 0 644.690 8.605 1 0 KKAFRM COc1ccc(OC(F)(F)F)cc1-c1nn([C@H](C)c2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000473088394 562897256 /nfs/dbraw/zinc/89/72/56/562897256.db2.gz NQZPNOOXCXZHDZ-LJQANCHMSA-N -1 0 687.593 7.990 1 0 KKAFRM COc1cncc(-c2nn([C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)c1 ZINC000473088986 562897329 /nfs/dbraw/zinc/89/73/29/562897329.db2.gz PTVASZSCDDSSPC-IBGZPJMESA-N -1 0 604.585 6.486 1 0 KKAFRM COc1ccccc1C(=O)NCCNc1cccc([N-]S(=O)(=O)c2cc(-c3ccccc3)ccc2OC)c1 ZINC000473115391 562899024 /nfs/dbraw/zinc/89/90/24/562899024.db2.gz SKIGBZVXLDQTGJ-UHFFFAOYSA-N -1 0 531.634 5.014 1 0 KKAFRM C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC=C1C[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@]4(C)C(=O)[O-])[C@H]3CC[C@@H]12 ZINC000473119627 562899291 /nfs/dbraw/zinc/89/92/91/562899291.db2.gz BCAMKAQICOLQNL-BUSOGWCSSA-N -1 0 634.854 7.147 1 0 KKAFRM Cc1ncn(-c2ccc(C(=O)N[C@]3(c4ccccc4)CCc4c(CCC(=O)[O-])c5cc(C)ccc5n4C3)c(Cl)c2)n1 ZINC000473145132 562901307 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562906053 /nfs/dbraw/zinc/90/60/53/562906053.db2.gz RQHVRWVZEKQIMD-UHFFFAOYSA-N -1 0 579.484 5.849 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000653672869 562906196 /nfs/dbraw/zinc/90/61/96/562906196.db2.gz NLBKVSLVHOSWSG-UHFFFAOYSA-N -1 0 605.137 6.805 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(OCCCCCC)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000653691247 562906752 /nfs/dbraw/zinc/90/67/52/562906752.db2.gz PDTFVEVNPHTRLA-FHPVIJFVSA-N -1 0 648.749 7.671 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)[O-])cc3)cc(Oc3ccc(F)c(F)c3)c2)CC1 ZINC000653706022 562907793 /nfs/dbraw/zinc/90/77/93/562907793.db2.gz OPXCZLVWSZDHEE-UHFFFAOYSA-N -1 0 540.563 6.653 1 0 KKAFRM COC(=O)[C@H](CC(C)C)N[P@@](=O)(Oc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000653710254 562908069 /nfs/dbraw/zinc/90/80/69/562908069.db2.gz HHXVVFZSAPFLCP-ONHHHMAZSA-N -1 0 537.505 5.909 1 0 KKAFRM 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FDAPJZJLEIYQAN-UHFFFAOYSA-N -1 0 649.657 8.822 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cc(OC(F)(F)F)ccc3c2)cc1 ZINC000095093514 551090248 /nfs/dbraw/zinc/09/02/48/551090248.db2.gz GLTBMLMTGHGENX-UHFFFAOYSA-N -1 0 628.434 7.829 1 0 KKAFRM CCOc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095117928 551090501 /nfs/dbraw/zinc/09/05/01/551090501.db2.gz ITDOIINIFNQSFX-FQEVSTJZSA-N -1 0 602.518 7.890 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000066262739 551091066 /nfs/dbraw/zinc/09/10/66/551091066.db2.gz IGCXZPHCSPIQHB-UHFFFAOYSA-N -1 0 578.374 6.675 1 0 in-vivo KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(OC)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)[O-])cc3)ccc2c1 ZINC000095117927 551091089 /nfs/dbraw/zinc/09/10/89/551091089.db2.gz NQTQKODPPXEPJV-FQEVSTJZSA-N -1 0 584.072 6.855 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(CCCC(=O)[O-])[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008694320 553119353 /nfs/dbraw/zinc/11/93/53/553119353.db2.gz KWWJHPRVIXLXSL-ACHIHNKUSA-N -1 0 617.749 5.585 2 0 KKAFRM CC/C(=C/Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000001485000 561675959 /nfs/dbraw/zinc/67/59/59/561675959.db2.gz FGSUZDCMIOSNNQ-WJDWOHSUSA-N -1 0 501.461 5.184 1 0 KKAFRM O=C([O-])c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 ZINC000001488745 561676213 /nfs/dbraw/zinc/67/62/13/561676213.db2.gz DFOAYHSUDNEEHG-UHFFFAOYSA-N -1 0 562.025 6.968 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000001493845 561676509 /nfs/dbraw/zinc/67/65/09/561676509.db2.gz CBJXBILJNVPTJT-VWLOTQADSA-N -1 0 545.599 5.190 1 0 KKAFRM CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000001533316 561676629 /nfs/dbraw/zinc/67/66/29/561676629.db2.gz MPBWDDNKHWTFRB-UHFFFAOYSA-N -1 0 500.602 6.956 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3cc4ccccc4cn3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535731 561676765 /nfs/dbraw/zinc/67/67/65/561676765.db2.gz MWMJXUWAUJNMGT-UHFFFAOYSA-N -1 0 587.185 9.014 1 0 KKAFRM CC(C)(C)Sc1c2cc(OCc3cccs3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000001535808 561676796 /nfs/dbraw/zinc/67/67/96/561676796.db2.gz VZTWQUCYIQSZAG-UHFFFAOYSA-N -1 0 542.166 8.527 1 0 KKAFRM Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000001542085 561677021 /nfs/dbraw/zinc/67/70/21/561677021.db2.gz XCDYCRJUBJSYLD-UHFFFAOYSA-N -1 0 598.523 5.561 1 0 KKAFRM CC(C)c1cc(Sc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000001544803 561677151 /nfs/dbraw/zinc/67/71/51/561677151.db2.gz UFSXOKMGOHBXIH-RTWAWAEBSA-N -1 0 502.579 5.872 1 0 in-vitro KKAFRM CCO[C@@H](Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000001553971 561677683 /nfs/dbraw/zinc/67/76/83/561677683.db2.gz OELGWRAGKMPJIK-VWLOTQADSA-N -1 0 560.282 6.755 1 0 KKAFRM COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c3c(c(O)c(C(C)=O)c2O)C[C@@H](C(C)(C)O)O3)c([O-])c1C(C)=O ZINC000001660718 561679100 /nfs/dbraw/zinc/67/91/00/561679100.db2.gz OUNVYFMBWBYCMV-FPOVZHCZSA-N -1 0 570.679 5.684 1 0 KKAFRM O=C1N(Cc2ccc(CO)cc2)[C@H](Cc2ccccc2)P(=O)([O-])[C@@H](Cc2ccccc2)N1Cc1ccc(CO)cc1 ZINC000003942955 561689571 /nfs/dbraw/zinc/68/95/71/561689571.db2.gz QBVMMOUPVGHZQI-ACHIHNKUSA-N -1 0 570.626 5.517 1 0 KKAFRM O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)P(=O)([O-])[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1 ZINC000003942962 561689577 /nfs/dbraw/zinc/68/95/77/561689577.db2.gz YZEPJBCNRONXEK-UWXQCODUSA-N -1 0 610.694 8.839 1 0 KKAFRM O=C([O-])CSc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C3CCCC3)C2=O)c1 ZINC000003915906 561684940 /nfs/dbraw/zinc/68/49/40/561684940.db2.gz YKVYNYOOVAWIKJ-UHFFFAOYSA-N -1 0 576.719 5.788 1 0 KKAFRM CCCc1c(OCCCOc2ccc3c(c2CCC)O[C@H](C(=O)[O-])CC3)ccc(-c2csc(=S)[nH]2)c1OC ZINC000003927581 561686869 /nfs/dbraw/zinc/68/68/69/561686869.db2.gz PUGSQEGOAXWGCW-VWLOTQADSA-N -1 0 557.734 7.012 1 0 KKAFRM CCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000003929838 561687093 /nfs/dbraw/zinc/68/70/93/561687093.db2.gz KWTJDPDMNWYGMB-UMSFTDKQSA-N -1 0 672.790 6.675 1 0 KKAFRM C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000003929876 561687113 /nfs/dbraw/zinc/68/71/13/561687113.db2.gz LZZPPPZINPSHEI-YQRDHOFASA-N -1 0 592.136 5.829 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)OC(=O)N(C)C2CCCCC2)nc1C(=O)[O-] ZINC000003936477 561688565 /nfs/dbraw/zinc/68/85/65/561688565.db2.gz VFJNRIMZXJQZIA-NOZRDPDXSA-N -1 0 552.672 5.389 1 0 KKAFRM CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000003945452 561689907 /nfs/dbraw/zinc/68/99/07/561689907.db2.gz PMGZJNCIQHGNLT-XMMPIXPASA-N -1 0 614.650 6.335 1 0 KKAFRM O=C([O-])Cc1nc(-c2ccc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3Cl)o2)cs1 ZINC000003938342 561688934 /nfs/dbraw/zinc/68/89/34/561688934.db2.gz IPCSWBSQERTQRL-UHFFFAOYSA-N -1 0 507.782 6.910 1 0 KKAFRM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C ZINC000003939353 561689053 /nfs/dbraw/zinc/68/90/53/561689053.db2.gz PSEWRCAYQNYYPP-QYBDOPJKSA-N -1 0 644.640 6.487 1 0 KKAFRM Cc1oc(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1COc1ccc(-c2ccc(OC(F)F)cc2)cc1 ZINC000003962745 561691299 /nfs/dbraw/zinc/69/12/99/561691299.db2.gz KQRPAOHVFDJWCE-UHFFFAOYSA-N -1 0 513.518 5.554 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000003964598 561691400 /nfs/dbraw/zinc/69/14/00/561691400.db2.gz UXBUYQULNOSYKV-SSEXGKCCSA-N -1 0 578.731 5.804 1 0 KKAFRM Cc1nc(C(=O)[C@@H](Oc2ccc(SCCCCCc3ccccc3)cc2)c2ccccc2)sc1CCCC(=O)[O-] ZINC000003976402 561691902 /nfs/dbraw/zinc/69/19/02/561691902.db2.gz PAJFUDDDDRLYEN-YTTGMZPUSA-N -1 0 573.780 8.367 1 0 KKAFRM Cc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc43)cc2)cc(C)c1OS(=O)(=O)c1ccc(C(=O)[O-])c(O)c1 ZINC000003981793 561692514 /nfs/dbraw/zinc/69/25/14/561692514.db2.gz RNUVXRDJUNQSPP-UHFFFAOYSA-N -1 0 604.680 8.146 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000006003699 561701090 /nfs/dbraw/zinc/70/10/90/561701090.db2.gz GZTXRAOZNVKIDQ-YYRIWJFKSA-N -1 0 512.775 8.004 1 0 KKAFRM CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)[O-])c(OC)c1 ZINC000004165719 561693979 /nfs/dbraw/zinc/69/39/79/561693979.db2.gz DGXLEDCXMIJNPJ-UHFFFAOYSA-N -1 0 528.598 5.408 3 0 in-vitro KKAFRM CCCCc1nc(Cl)c(C(=O)[O-])n1[C@](C)(OC(=O)OCC)c1ccc(Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000004213081 561694218 /nfs/dbraw/zinc/69/42/18/561694218.db2.gz AURIMXYPFAHNPS-HHHXNRCGSA-N -1 0 553.019 5.242 1 0 in-man KKAFRM COc1cccc(/C=C/C2=NN(c3cccc(S(=O)(=O)[O-])c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)c1 ZINC000006009733 561701683 /nfs/dbraw/zinc/70/16/83/561701683.db2.gz GOMRSFCGRBPEOL-QSRYBZNWSA-N -1 0 578.697 5.265 1 0 KKAFRM COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)[O-])c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009734 561701695 /nfs/dbraw/zinc/70/16/95/561701695.db2.gz KPDUVHYUFMBOCS-FQFCXHBISA-N -1 0 578.697 5.265 1 0 KKAFRM COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)[O-])c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009735 561701706 /nfs/dbraw/zinc/70/17/06/561701706.db2.gz KPDUVHYUFMBOCS-DEIPZHPTSA-N -1 0 578.697 5.265 1 0 KKAFRM CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1CCCCCC(=O)[O-] ZINC000008829548 561708562 /nfs/dbraw/zinc/70/85/62/561708562.db2.gz CJIIGLXHMDIYIQ-QHCPKHFHSA-N -1 0 505.398 5.722 3 0 KKAFRM COc1ccc(C2=C(C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)Oc3ccc(OCc4ccccc4)cc32)cc1 ZINC000013473384 561714310 /nfs/dbraw/zinc/71/43/10/561714310.db2.gz CNCGFZQOGNWAMP-PMERELPUSA-N -1 0 508.526 6.023 1 0 KKAFRM CN(CCOc1ccc(C[C@H](Sc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)c1nc2ccccc2o1 ZINC000012358063 561710091 /nfs/dbraw/zinc/71/00/91/561710091.db2.gz OSBXMUFWXZFKJS-LJAQVGFWSA-N -1 0 552.652 6.362 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)N(C)C)C(=O)[O-])cc1 ZINC000012358136 561710343 /nfs/dbraw/zinc/71/03/43/561710343.db2.gz VSNSHKCOPMGHRL-MHZLTWQESA-N -1 0 513.594 5.081 1 0 KKAFRM CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc([C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000012358285 561710415 /nfs/dbraw/zinc/71/04/15/561710415.db2.gz MDUUPNIBHJWYFO-SANMLTNESA-N -1 0 555.674 5.707 1 0 KKAFRM CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc([C@H]2SC(=O)[N-]C2=O)c1 ZINC000012358496 561710556 /nfs/dbraw/zinc/71/05/56/561710556.db2.gz SXOUCNMFIUAZNE-RUZDIDTESA-N -1 0 546.472 7.610 1 0 KKAFRM CC(C)=CCc1c2c(c([O-])c3c(=O)c4c(oc13)-c1c3c(c(O)cc1O)OC(C)(C)[C@H]3C4)C=CC(C)(C)O2 ZINC000013373231 561711633 /nfs/dbraw/zinc/71/16/33/561711633.db2.gz CYONWSIQFYQFOS-KRWDZBQOSA-N -1 0 502.563 6.080 1 0 endogenous,in-man KKAFRM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000013436754 561711976 /nfs/dbraw/zinc/71/19/76/561711976.db2.gz CNEKZXJTDXCVRA-AREMUKBSSA-N -1 0 512.591 5.468 1 0 KKAFRM O=C([O-])[C@@H]1Cc2c(ncn2Cc2cccc(C(F)(F)F)c2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013446877 561713287 /nfs/dbraw/zinc/71/32/87/561713287.db2.gz ZMGWIOMLTQZFSU-VWLOTQADSA-N -1 0 519.523 5.120 1 0 KKAFRM O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(Cl)cc1Cl ZINC000013494017 561716778 /nfs/dbraw/zinc/71/67/78/561716778.db2.gz IUZFULCSXKIQNJ-SFHVURJKSA-N -1 0 513.240 6.156 1 0 KKAFRM CCCc1cc(-c2noc3ccccc32)ccc1OCCCOc1cccc([C@@H]2SC(=O)[N-]C2=O)c1 ZINC000013553665 561718427 /nfs/dbraw/zinc/71/84/27/561718427.db2.gz JLAXJZRUAXLLMT-SANMLTNESA-N -1 0 502.592 6.319 1 0 KKAFRM Cc1ccc(CCC[C@H](CC(=O)[O-])C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCc2ccccc2)cc1 ZINC000013558496 561719304 /nfs/dbraw/zinc/71/93/04/561719304.db2.gz QQHGONNRQYLVKQ-IZLXSDGUSA-N -1 0 506.687 5.223 1 0 KKAFRM CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(OCc2ccccc2)cc1 ZINC000013609971 561721857 /nfs/dbraw/zinc/72/18/57/561721857.db2.gz VNEYLOUNWHERRV-UHFFFAOYSA-N -1 0 510.634 6.721 1 0 KKAFRM Cc1ccccc1-c1nc(C(=O)Nc2cccc(CCC(=O)[O-])c2)c(CCC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000013674709 561723870 /nfs/dbraw/zinc/72/38/70/561723870.db2.gz DWIACYULJQEKIS-UHFFFAOYSA-N -1 0 511.666 6.804 1 0 KKAFRM Cc1ccc(NC(=O)c2nc(C3(C)CCCCC3)[nH]c2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000013674746 561723903 /nfs/dbraw/zinc/72/39/03/561723903.db2.gz PZLNPXKYCTZVAW-UHFFFAOYSA-N -1 0 503.687 7.039 1 0 KKAFRM O=C([O-])c1ccc(/C=C(\c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)c2cccnc2)cc1 ZINC000013733240 561725372 /nfs/dbraw/zinc/72/53/72/561725372.db2.gz CNJDBFHUIFFSQK-OVVQPSECSA-N -1 0 519.022 5.543 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2[C@H](CC(C)C)c2ccccc2)c1 ZINC000013742365 561726341 /nfs/dbraw/zinc/72/63/41/561726341.db2.gz INWIJMBQRFVKAJ-HRPFJYMWSA-N -1 0 524.661 7.562 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)[O-])cc2)cn(-c2cnccc2Cl)c1-3 ZINC000013742700 561726351 /nfs/dbraw/zinc/72/63/51/561726351.db2.gz ITEAKNABBZPAFB-UHFFFAOYSA-N -1 0 511.065 8.006 1 0 KKAFRM COc1ccncc1-n1cc(-c2ccc(C(=O)[O-])cc2)c2c1-c1cc3c(cc1CC2)C(C)(C)CCC3(C)C ZINC000013742699 561726374 /nfs/dbraw/zinc/72/63/74/561726374.db2.gz VPLVQXOHBWMNJJ-UHFFFAOYSA-N -1 0 506.646 7.361 1 0 KKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(c(-c2ccc(C(=O)[O-])cc2)cn1Cc1cccnc1)CC3(C)C ZINC000013742714 561726406 /nfs/dbraw/zinc/72/64/06/561726406.db2.gz YVLFYHDKVVFNAP-UHFFFAOYSA-N -1 0 518.701 8.146 1 0 KKAFRM C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@H](c2c([O-])c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744234 561726598 /nfs/dbraw/zinc/72/65/98/561726598.db2.gz MSYTWGRTZFXVLE-GAJHUEQPSA-N -1 0 510.631 5.398 1 0 KKAFRM CC(C)c1cc(C(C)C)c(OS(=O)(=O)[N-]C(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000013747519 561727050 /nfs/dbraw/zinc/72/70/50/561727050.db2.gz UGHZQTOBMQFXLW-UHFFFAOYSA-N -1 0 503.705 7.716 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000013756176 561727124 /nfs/dbraw/zinc/72/71/24/561727124.db2.gz RIIGDQOKPPYLKG-JDXGNMNLSA-N -1 0 503.646 6.734 1 0 KKAFRM CCc1nc2c(nc(C)cc2C)n1Cc1ccc([C@H](c2ccccc2)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000013756173 561727129 /nfs/dbraw/zinc/72/71/29/561727129.db2.gz RIIGDQOKPPYLKG-DGPALRBDSA-N -1 0 503.646 6.734 1 0 KKAFRM O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCOCc3ccccc3)co2)cc1)c1cccnc1 ZINC000013782520 561729731 /nfs/dbraw/zinc/72/97/31/561729731.db2.gz PTVHLCSHLNBWFT-LUOAPIJWSA-N -1 0 525.605 5.760 1 0 KKAFRM CCc1onc(-c2c(Cl)cccc2Cl)c1COc1cc(C)c(/C=C/c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000013809558 561731794 /nfs/dbraw/zinc/73/17/94/561731794.db2.gz SADQPIZSLFVWFR-JLHYYAGUSA-N -1 0 522.428 8.275 1 0 KKAFRM O=C([N-]S(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1 ZINC000013818270 561732229 /nfs/dbraw/zinc/73/22/29/561732229.db2.gz YHFDLIAMXJUKHP-UHFFFAOYSA-N -1 0 521.729 6.193 1 0 KKAFRM CCCCc1nnc(SCc2cccc(C)c2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013825627 561733041 /nfs/dbraw/zinc/73/30/41/561733041.db2.gz ULJVAWATHJODJU-UHFFFAOYSA-N -1 0 514.651 6.220 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000013834064 561734077 /nfs/dbraw/zinc/73/40/77/561734077.db2.gz LWMXRVDTQJPEEB-GDLZYMKVSA-N -1 0 534.100 7.422 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc(CC)cc1 ZINC000013834067 561734079 /nfs/dbraw/zinc/73/40/79/561734079.db2.gz NHGJGBPETSTFGA-HKBQPEDESA-N -1 0 527.709 7.331 1 0 KKAFRM CC(=O)Oc1c(Cl)c(C)c(C(=O)[O-])c(OC(C)=O)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835879 561734316 /nfs/dbraw/zinc/73/43/16/561734316.db2.gz NMOIBFYDGMJCDH-PIPQKTRISA-N -1 0 505.007 5.884 1 0 KKAFRM Cc1nn(Cc2ccccc2)c2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12 ZINC000013888049 561735502 /nfs/dbraw/zinc/73/55/02/561735502.db2.gz DRLPQUBVYWXBPG-IDSBPIFPSA-N -1 0 517.601 5.317 1 0 KKAFRM CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](C)(=O)[O-])cc1)c1ccc(C)cc1 ZINC000013898010 561735576 /nfs/dbraw/zinc/73/55/76/561735576.db2.gz LSBPYBGJYKSGBQ-NOZRDPDXSA-N -1 0 500.576 6.000 1 0 KKAFRM COC(=O)c1cccc(S(=O)(=O)Nc2cccc([C@H](c3c([O-])c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000014943412 561741721 /nfs/dbraw/zinc/74/17/21/561741721.db2.gz WBZOUMUPXZAPEF-RUZDIDTESA-N -1 0 537.634 5.134 1 0 KKAFRM COc1c2c(C)c(COc3ccc(-c4ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc4)cc3)oc2ccc1Br ZINC000014210485 561737930 /nfs/dbraw/zinc/73/79/30/561737930.db2.gz KQIFSUSWYMDFOC-AREMUKBSSA-N -1 0 602.503 6.146 1 0 KKAFRM O=C([O-])C[C@H](Cc1ccccc1)NC(=O)CC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 ZINC000014286714 561739245 /nfs/dbraw/zinc/73/92/45/561739245.db2.gz DFVJFZOOMUFFGW-IZZNHLLZSA-N -1 0 602.559 5.257 1 0 KKAFRM [O-]c1cc(Br)c(Br)c(Br)c1Oc1ccccc1Br ZINC000014676773 561739842 /nfs/dbraw/zinc/73/98/42/561739842.db2.gz CWKRIMIEQHHCSR-UHFFFAOYSA-N -1 0 501.794 6.235 1 0 KKAFRM CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000014946771 561744322 /nfs/dbraw/zinc/74/43/22/561744322.db2.gz YIZAIIPIDVPFIM-YTTGMZPUSA-N -1 0 620.812 6.793 1 0 KKAFRM CCC(CC)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000014946765 561744340 /nfs/dbraw/zinc/74/43/40/561744340.db2.gz BKZLAIKLTFTJTM-YTTGMZPUSA-N -1 0 606.785 6.584 1 0 KKAFRM CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1cccc2ccccc21 ZINC000014946772 561744357 /nfs/dbraw/zinc/74/43/57/561744357.db2.gz SNBUCNNUZSAWLL-YTTGMZPUSA-N -1 0 614.764 6.649 1 0 KKAFRM COc1ccc2nc(N[C@@H](Cc3ccc([C@H]4CC(=O)[N-]S4(=O)=O)cc3)c3nc4ccccc4[nH]3)sc2c1 ZINC000014955227 561747235 /nfs/dbraw/zinc/74/72/35/561747235.db2.gz AGLPLQLLRCCZOB-JTHBVZDNSA-N -1 0 533.635 5.308 1 0 KKAFRM COc1cc(-c2cccn(Cc3ccc(CCC(=O)[O-])cc3)c2=O)ccc1NC(=O)Nc1ccccc1C ZINC000014963265 561748961 /nfs/dbraw/zinc/74/89/61/561748961.db2.gz MOQBCMVOFUTVHS-UHFFFAOYSA-N -1 0 511.578 5.542 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)cc1C ZINC000014963327 561748978 /nfs/dbraw/zinc/74/89/78/561748978.db2.gz YDWZFLXHAFVVPG-OAQYLSRUSA-N -1 0 509.606 6.403 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl ZINC000014963540 561749037 /nfs/dbraw/zinc/74/90/37/561749037.db2.gz PHYOEBQTFVMISA-JOCHJYFZSA-N -1 0 567.778 7.307 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(-c2cccn(Cc3ccc([C@H](C)CC(=O)[O-])cc3)c2=O)c(C)c1 ZINC000014963335 561749069 /nfs/dbraw/zinc/74/90/69/561749069.db2.gz BTYSVIBSJVRJTA-OAQYLSRUSA-N -1 0 509.606 6.403 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000014963603 561749177 /nfs/dbraw/zinc/74/91/77/561749177.db2.gz FMUNWFDXIYAKEU-AREMUKBSSA-N -1 0 567.900 7.486 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(F)cccc1F ZINC000014963568 561749190 /nfs/dbraw/zinc/74/91/90/561749190.db2.gz BPKJUCLHGKCRLM-NRFANRHFSA-N -1 0 501.316 5.913 1 0 KKAFRM Cc1cccc(Cl)c1C(=O)N[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)[O-] ZINC000014963576 561749206 /nfs/dbraw/zinc/74/92/06/561749206.db2.gz MSQIJDHUHQACPZ-JOCHJYFZSA-N -1 0 513.808 6.596 1 0 KKAFRM O=C([O-])c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Br)c(Cl)c2)cc1 ZINC000014966064 561749849 /nfs/dbraw/zinc/74/98/49/561749849.db2.gz IFGXOTDKEWTBFF-OALUTQOASA-N -1 0 604.860 6.005 1 0 KKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c4cccc(C(F)(F)F)c4ncc3[C@H](O)c3ccccc3)c2)cc1 ZINC000014972521 561751609 /nfs/dbraw/zinc/75/16/09/561751609.db2.gz FLJYMVVOBYULHJ-WJOKGBTCSA-N -1 0 542.557 7.242 1 0 KKAFRM O=C([O-])Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(Cl)cccc43)c2)cc1 ZINC000014972549 561751642 /nfs/dbraw/zinc/75/16/42/561751642.db2.gz DIEQFJUHAMDHJZ-UHFFFAOYSA-N -1 0 506.989 7.025 1 0 KKAFRM O=C([O-])Cc1ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c3cccc4C(F)(F)F)c2)cc1 ZINC000014972496 561751644 /nfs/dbraw/zinc/75/16/44/561751644.db2.gz SENBJMMSGVHUDH-UHFFFAOYSA-N -1 0 526.558 7.751 1 0 KKAFRM CC(C)c1c(C(=O)N2CCCC[C@H]2c2ccccc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000014974388 561752102 /nfs/dbraw/zinc/75/21/02/561752102.db2.gz DGPVRQDECQBJDH-CYXNTTPDSA-N -1 0 551.659 5.021 1 0 KKAFRM CC(C)c1c(C(=O)c2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)[O-] ZINC000017653585 561757092 /nfs/dbraw/zinc/75/70/92/561757092.db2.gz RHYZIJMRTYNJHW-SXOMAYOGSA-N -1 0 543.635 6.292 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(=C/Cn2oc(=O)[n-]c2=O)C(C)(C)C)c1 ZINC000025970287 561763279 /nfs/dbraw/zinc/76/32/79/561763279.db2.gz MAERPRHUIYHNNX-MTJSOVHGSA-N -1 0 529.515 5.821 1 0 KKAFRM C/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1 ZINC000025970708 561763297 /nfs/dbraw/zinc/76/32/97/561763297.db2.gz XBMXYHRZRAJSKO-NBVRZTHBSA-N -1 0 549.505 6.153 1 0 KKAFRM Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1COc1cccc(/C(I)=C/Cn2oc(=O)[n-]c2=O)c1 ZINC000025970451 561763301 /nfs/dbraw/zinc/76/33/01/561763301.db2.gz PESYIRWAUQVOHE-NVMNQCDNSA-N -1 0 599.303 5.167 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025986294 561764226 /nfs/dbraw/zinc/76/42/26/561764226.db2.gz JJIIYULDEGYNEW-CMTIAEDTSA-N -1 0 524.702 5.372 1 0 KKAFRM CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(Cl)cc2Cl)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)[O-] ZINC000025986228 561764266 /nfs/dbraw/zinc/76/42/66/561764266.db2.gz SPOYPAQQYPYRKF-TVZXLZGTSA-N -1 0 563.566 6.767 1 0 KKAFRM O=C([O-])CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4cc5ccccc5s4)cc3c2O)cc1 ZINC000026005574 561765483 /nfs/dbraw/zinc/76/54/83/561765483.db2.gz SBPRVIIGLBVMMX-UHFFFAOYSA-N -1 0 570.667 7.584 1 0 KKAFRM O=C([O-])c1c(-c2ccc3c(c2)OCO3)c2cc(OCc3ccccc3)ccc2n1Cc1ccc2c(c1)OCO2 ZINC000026010126 561765816 /nfs/dbraw/zinc/76/58/16/561765816.db2.gz KJKWFAMWOYDQGU-UHFFFAOYSA-N -1 0 521.525 6.091 1 0 KKAFRM CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)cc3C(F)(F)F)C(=O)[O-])cc2)c1 ZINC000026015708 561766217 /nfs/dbraw/zinc/76/62/17/561766217.db2.gz RIKXIKPWCMJSDI-QFIPXVFZSA-N -1 0 584.016 5.532 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000026161950 561768699 /nfs/dbraw/zinc/76/86/99/561768699.db2.gz JTIOTPJAIFIFFX-HHHXNRCGSA-N -1 0 523.633 5.702 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Oc2ccc(C(=O)NC[C@@H](F)C(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168512 561769574 /nfs/dbraw/zinc/76/95/74/561769574.db2.gz RCMCOMRENMFXOA-LOYHVIPDSA-N -1 0 568.645 6.562 1 0 KKAFRM COC(=O)[C@H](CCC(=O)[O-])N(C/C=C/c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C/C=C/c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 ZINC000026168646 561769610 /nfs/dbraw/zinc/76/96/10/561769610.db2.gz ZLTRXIDXMWIWLG-RCVKIGJKSA-N -1 0 715.457 10.320 1 0 KKAFRM CC(C)(C)c1ccc([C@@H](Cc2ccc(C(=O)NCCC(=O)[O-])cc2)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000026173188 561770407 /nfs/dbraw/zinc/77/04/07/561770407.db2.gz DCXARCKEWAQLJB-SSEXGKCCSA-N -1 0 617.573 8.127 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)Nc1ccncc1 ZINC000026295737 561781450 /nfs/dbraw/zinc/78/14/50/561781450.db2.gz OGZPTMZDUNEWQZ-UHFFFAOYSA-N -1 0 607.689 5.707 1 0 KKAFRM CCCc1nc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026295582 561781502 /nfs/dbraw/zinc/78/15/02/561781502.db2.gz KZFCMBIWPRAQDF-UHFFFAOYSA-N -1 0 680.813 5.906 1 0 KKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C([O-])=CS(=O)(=O)c4ccccc4)cc3OC)c2c1 ZINC000026498193 561794707 /nfs/dbraw/zinc/79/47/07/561794707.db2.gz PPDUYKCJHDDFSG-HSZRJFAPSA-N -1 0 560.716 6.510 1 0 KKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OCCCc3ccccc3)c2c1 ZINC000026498622 561794888 /nfs/dbraw/zinc/79/48/88/561794888.db2.gz MOHAOGASXUZYPX-RUZDIDTESA-N -1 0 526.677 7.554 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccc(Cc2cccc(C)c2)cc1)C(C)(C)C ZINC000026394349 561786537 /nfs/dbraw/zinc/78/65/37/561786537.db2.gz VKSDFADIGYDZCS-XZWHSSHBSA-N -1 0 562.691 5.882 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@@H](CCc1cccc(F)c1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000026395066 561786640 /nfs/dbraw/zinc/78/66/40/561786640.db2.gz RPNGFLLEKVAIHJ-LMSSTIIKSA-N -1 0 566.654 5.713 1 0 KKAFRM COc1ccc(-c2cc3ccc(S(=O)(=O)N[C@@H]4[C@@H]5CC[C@@H](C5)[C@H]4C/C=C\CCCC(=O)[O-])cc3[nH]2)cc1 ZINC000026475763 561790936 /nfs/dbraw/zinc/79/09/36/561790936.db2.gz JOIHUHXRCVSVCG-RQOBNJGISA-N -1 0 522.667 5.738 1 0 KKAFRM COc1cccc(OC(F)(F)F)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026476226 561791060 /nfs/dbraw/zinc/79/10/60/561791060.db2.gz CSTKLRHFUNLLMM-RTWAWAEBSA-N -1 0 647.455 5.663 1 0 KKAFRM COc1ccc(OC)c(-c2ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000026476646 561791172 /nfs/dbraw/zinc/79/11/72/561791172.db2.gz RGBBQYLDQIXODA-RPBOFIJWSA-N -1 0 607.512 5.163 1 0 KKAFRM COc1cccc(OC)c1-c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026478302 561791454 /nfs/dbraw/zinc/79/14/54/561791454.db2.gz YLSZQZVOAUNTOP-PKTZIBPZSA-N -1 0 607.512 5.163 1 0 KKAFRM C[C@@]1(C(=O)N[C@H](CC(=O)[O-])c2ccc(-c3ccccc3OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026485188 561792413 /nfs/dbraw/zinc/79/24/13/561792413.db2.gz MVWQIHBOKAEOBB-KCWPFWIISA-N -1 0 645.483 6.434 1 0 KKAFRM CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3OC)c2c1 ZINC000026488079 561792782 /nfs/dbraw/zinc/79/27/82/561792782.db2.gz DDGGAPZDAJSHIS-OAQYLSRUSA-N -1 0 541.648 6.804 1 0 KKAFRM COCCCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026500148 561795247 /nfs/dbraw/zinc/79/52/47/561795247.db2.gz ZWYAVCQGXAHVLZ-QFIPXVFZSA-N -1 0 535.468 5.735 1 0 KKAFRM CC(=O)NCCCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CCCC1 ZINC000026494156 561793947 /nfs/dbraw/zinc/79/39/47/561793947.db2.gz KKTZPWKMGKGWTK-QHCPKHFHSA-N -1 0 562.494 5.224 1 0 KKAFRM CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)[O-])cc3OCCCc3nn[nH]n3)c2c1 ZINC000026497601 561794575 /nfs/dbraw/zinc/79/45/75/561794575.db2.gz QHJPAUGGHJGDNY-IBGZPJMESA-N -1 0 518.618 5.067 1 0 KKAFRM CC(=O)c1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-] ZINC000026503035 561796009 /nfs/dbraw/zinc/79/60/09/561796009.db2.gz VRDQOIVJUXQAEO-FQEVSTJZSA-N -1 0 533.795 5.527 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(CCNC(=O)Nc2ccccc2)CCCC1 ZINC000026504883 561796247 /nfs/dbraw/zinc/79/62/47/561796247.db2.gz JPUGRCWKTIJHRW-VWLOTQADSA-N -1 0 611.526 6.130 1 0 KKAFRM CC(=O)O/C(=C\C(=O)Oc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C)C(=O)[O-] ZINC000026572041 561798296 /nfs/dbraw/zinc/79/82/96/561798296.db2.gz MNARMIOEJDLZCB-RRAHZORUSA-N -1 0 672.950 9.640 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc([C@@H]2C[C@@H]2c2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000026573711 561798686 /nfs/dbraw/zinc/79/86/86/561798686.db2.gz UQJBBYJBUQUDNA-NLJOTIRTSA-N -1 0 640.698 9.764 1 0 KKAFRM CN(C)c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)n(CCc3ccccc3)c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576132 561799967 /nfs/dbraw/zinc/79/99/67/561799967.db2.gz QZOOKOQEGNZMKW-UHFFFAOYSA-N -1 0 530.672 6.957 1 0 KKAFRM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@](=O)([O-])Oc1ccccc1Cl ZINC000026577114 561801048 /nfs/dbraw/zinc/80/10/48/561801048.db2.gz NZAOBCWOMOWNQX-GDLZYMKVSA-N -1 0 620.127 7.082 1 0 KKAFRM COc1ncc(Cc2cn(CC(=O)N(CC(=O)[O-])Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026577301 561801347 /nfs/dbraw/zinc/80/13/47/561801347.db2.gz RPHNQOWPQBPVGD-UHFFFAOYSA-N -1 0 674.154 5.498 1 0 KKAFRM COc1ccc(CSC[C@H](C[P@](=O)([O-])[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)cc1 ZINC000026579533 561804850 /nfs/dbraw/zinc/80/48/50/561804850.db2.gz KKRBZYCHOUTMBU-AENKNVQRSA-N -1 0 742.835 6.004 1 0 KKAFRM C[C@@]1(C(=O)N[C@@H](Cc2ccc(-c3cccc4cc[nH]c43)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026643707 561807114 /nfs/dbraw/zinc/80/71/14/561807114.db2.gz NEHVNFYXIGYVRB-SVEHJYQDSA-N -1 0 600.524 5.497 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H](C(=O)N[C@@H](CC(F)F)C(=O)[O-])N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000026658166 561809819 /nfs/dbraw/zinc/80/98/19/561809819.db2.gz GMAGXLXHYHPQGA-LOKNXAPISA-N -1 0 698.764 5.423 1 0 KKAFRM CC(=CCc1ccc2cc(OC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1)C1SC(=O)N=C1[O-] ZINC000026657796 561809848 /nfs/dbraw/zinc/80/98/48/561809848.db2.gz OBOGFRQHGMOQCM-MXLMUYMQSA-N -1 0 531.674 6.823 1 0 KKAFRM C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCC(=O)[O-])CCc1ccccc1 ZINC000026666568 561811384 /nfs/dbraw/zinc/81/13/84/561811384.db2.gz MUNNAUUHDXISAJ-IEGZHYQVSA-N -1 0 571.718 5.566 1 0 KKAFRM O=C([O-])[C@@H](Oc1ccccc1)[C@@]1(c2ccccc2)NCC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000026666885 561811417 /nfs/dbraw/zinc/81/14/17/561811417.db2.gz KTLNHNBNFFGGQC-DGPALRBDSA-N -1 0 547.438 5.906 1 0 KKAFRM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(C(=O)[O-])c3S1 ZINC000026668013 561811637 /nfs/dbraw/zinc/81/16/37/561811637.db2.gz ZSZOGGQZHMIOHD-LJQANCHMSA-N -1 0 541.072 7.719 1 0 KKAFRM CSc1c2cc(OCc3ccc(-c4ccccc4)cn3)ccc2n(Cc2ccc(Cl)cc2)c1CC(C)(C)C(=O)[O-] ZINC000026669109 561811944 /nfs/dbraw/zinc/81/19/44/561811944.db2.gz WLNOLZDPUZYGMV-UHFFFAOYSA-N -1 0 571.142 8.359 1 0 KKAFRM CC[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026670327 561812187 /nfs/dbraw/zinc/81/21/87/561812187.db2.gz CMXQSRSGZPVTSH-NDEPHWFRSA-N -1 0 611.207 9.064 1 0 KKAFRM CC[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)C(=O)[O-])c3S1 ZINC000026670321 561812216 /nfs/dbraw/zinc/81/22/16/561812216.db2.gz CMXQSRSGZPVTSH-MUUNZHRXSA-N -1 0 611.207 9.064 1 0 KKAFRM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2nc3ccccc3o2)cc1 ZINC000026673084 561812935 /nfs/dbraw/zinc/81/29/35/561812935.db2.gz BXRKFZIBTDBIGD-UHFFFAOYSA-N -1 0 647.679 7.053 1 0 KKAFRM CC(C)=CCC[C@H](C)[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026674756 561813649 /nfs/dbraw/zinc/81/36/49/561813649.db2.gz LJZUIVDUKOZJED-JHOBJCJYSA-N -1 0 598.677 5.935 1 0 KKAFRM C[C@H](CC(=O)[O-])S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000026721815 561815327 /nfs/dbraw/zinc/81/53/27/561815327.db2.gz KPFOBHNLNKVBBA-GDFMQKBZSA-N -1 0 560.159 8.556 1 0 KKAFRM C[C@](Cc1cccc2ccccc21)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000026724082 561815662 /nfs/dbraw/zinc/81/56/62/561815662.db2.gz DDMOESJKCONAST-XKOAIWSSSA-N -1 0 568.714 5.848 1 0 KKAFRM C[C@H](C(=O)[O-])[C@H](C)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000026725639 561815911 /nfs/dbraw/zinc/81/59/11/561815911.db2.gz LXIAQEGNVCWRGS-FVJYQSRDSA-N -1 0 574.186 8.802 1 0 KKAFRM CC(C)=CCC[C@@H](C)[C@@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C[P@@](=O)([O-])O)cc1 ZINC000026734213 561817172 /nfs/dbraw/zinc/81/71/72/561817172.db2.gz UZLGCGLUDIIKAU-GOXGLGGOSA-N -1 0 607.732 6.731 1 0 KKAFRM C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)[O-])c1ccc2c(ccn2C2c3ccccc3CCc3ccccc32)c1 ZINC000026740984 561818129 /nfs/dbraw/zinc/81/81/29/561818129.db2.gz BEKJVHVAHMLQRD-WJTDDFOZSA-N -1 0 570.689 7.663 1 0 KKAFRM CC(C)c1c2ccccc2cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-] ZINC000026745119 561818678 /nfs/dbraw/zinc/81/86/78/561818678.db2.gz KMUHRPGZKRKKCZ-CLJLJLNGSA-N -1 0 534.599 6.387 1 0 in-vitro KKAFRM CCn1cnc2nc([N-]c3nc(C)c(C(=O)Nc4ccccc4)s3)nc(NCc3ccc(OC)c(OC)c3)c21 ZINC000026746942 561818998 /nfs/dbraw/zinc/81/89/98/561818998.db2.gz HZQMCXXCAQJONQ-UHFFFAOYSA-N -1 0 544.641 5.236 1 0 KKAFRM O=C([O-])C[C@H](O)C[C@@H](O)COc1c(Cl)cc(Cl)cc1[C@@H](CCOc1ccc(F)cc1)c1ccc(F)cc1 ZINC000026749133 561819380 /nfs/dbraw/zinc/81/93/80/561819380.db2.gz ZAZHQOBUAOBXJC-XPNTWCBSSA-N -1 0 555.401 5.838 1 0 KKAFRM CC(C)(Oc1cccc(CCCN(C(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)[O-] ZINC000026749852 561819478 /nfs/dbraw/zinc/81/94/78/561819478.db2.gz XMGJEASDMJAFLB-UHFFFAOYSA-N -1 0 661.599 8.173 1 0 KKAFRM CCOC(=O)c1sc([N-]c2nc3ncn(CC)c3c(NCc3ccc(OCc4ccccc4)c(OC)c3)n2)nc1C ZINC000026750072 561819617 /nfs/dbraw/zinc/81/96/17/561819617.db2.gz FTVWYLXGBZEISK-UHFFFAOYSA-N -1 0 573.679 5.731 1 0 KKAFRM CCc1ccc(C(OCCc2ccc(OC)cc2)(c2ccc(CC)cc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc1 ZINC000026818534 561820650 /nfs/dbraw/zinc/82/06/50/561820650.db2.gz VQUBCMKIGJZUME-HKBQPEDESA-N -1 0 554.687 6.262 1 0 KKAFRM COc1cc(/C=C/COC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc(OC)c1OC ZINC000026821343 561821165 /nfs/dbraw/zinc/82/11/65/561821165.db2.gz MSRYVIMFULZUGC-SHPZBJSMSA-N -1 0 570.642 5.625 1 0 KKAFRM COc1cc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)[O-])cc(OC)c1OC ZINC000026821875 561821364 /nfs/dbraw/zinc/82/13/64/561821364.db2.gz WZCUCQGZYXGPHF-GDLZYMKVSA-N -1 0 558.631 5.154 1 0 KKAFRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N2CCCC[C@@H]2[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000026823036 561821480 /nfs/dbraw/zinc/82/14/80/561821480.db2.gz UCTXVHZMOAZHBQ-XAGDYJCDSA-N -1 0 598.744 5.962 1 0 KKAFRM CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@H](C(C)(C)C(=O)[O-])CC[C@@](C)([C@H]34)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835553 561824201 /nfs/dbraw/zinc/82/42/01/561824201.db2.gz GRDNOWYVDAPYNQ-KXJKXXLOSA-N -1 0 544.729 6.087 1 0 KKAFRM CCc1nc(C2CC2)c(C(=O)NCC(C)C)n1Cc1ccc2oc(-c3ccccc3[N-]S(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026835880 561824305 /nfs/dbraw/zinc/82/43/05/561824305.db2.gz UPQUGZJDBOIADU-UHFFFAOYSA-N -1 0 667.548 7.194 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000026975098 561830790 /nfs/dbraw/zinc/83/07/90/561830790.db2.gz DHOAHVLHKCBDJS-BHYZAODMSA-N -1 0 635.742 6.382 1 0 KKAFRM COCCOc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026979773 561831268 /nfs/dbraw/zinc/83/12/68/561831268.db2.gz USOKNKZKSOUFRP-UHFFFAOYSA-N -1 0 534.524 5.686 1 0 KKAFRM COCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3cc(F)cc(F)c3)ccc2o1 ZINC000026980073 561831282 /nfs/dbraw/zinc/83/12/82/561831282.db2.gz OTUMGFPSEMHVSK-UHFFFAOYSA-N -1 0 569.520 5.997 1 0 KKAFRM Nc1cccc([S@](=O)Cc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)[O-])n2)c1 ZINC000026989726 561832362 /nfs/dbraw/zinc/83/23/62/561832362.db2.gz LVKUKZDXLRSTSX-IZNQGSTHSA-N -1 0 574.665 7.050 1 0 KKAFRM CCOc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000026991802 561832598 /nfs/dbraw/zinc/83/25/98/561832598.db2.gz CDKPRSYWBGNLBR-UHFFFAOYSA-N -1 0 504.498 6.059 1 0 KKAFRM C[C@](CCC(=O)[O-])(c1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000027072772 561833745 /nfs/dbraw/zinc/83/37/45/561833745.db2.gz KRVJIDVCAXKLAZ-PGUFJCEWSA-N -1 0 574.702 8.173 1 0 KKAFRM COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCOc1ncc(SC)cn1 ZINC000027075799 561834269 /nfs/dbraw/zinc/83/42/69/561834269.db2.gz MNUSWHIXHRJVAB-UHFFFAOYSA-N -1 0 597.719 5.346 1 0 KKAFRM CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000027179121 561841468 /nfs/dbraw/zinc/84/14/68/561841468.db2.gz LJPXRIYNVPJUOI-UVMMSNCQSA-N -1 0 666.649 5.778 1 0 KKAFRM CSCC[C@H](NC(=O)c1ccc(CN(C(=O)Cc2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(=O)[O-] ZINC000027199539 561844944 /nfs/dbraw/zinc/84/49/44/561844944.db2.gz FJJQZAIKVCEIAA-PMERELPUSA-N -1 0 567.711 5.769 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000027207648 561846196 /nfs/dbraw/zinc/84/61/96/561846196.db2.gz CPGLLVIAWAHLKY-DHUJRADRSA-N -1 0 591.752 8.561 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000027427297 561858646 /nfs/dbraw/zinc/85/86/46/561858646.db2.gz BHJMRSIHXIHXAS-DHCSSMODSA-N -1 0 707.871 6.907 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027428167 561858773 /nfs/dbraw/zinc/85/87/73/561858773.db2.gz NLYKYOJFKOSQBY-NGQVCNFZSA-N -1 0 546.645 5.283 1 0 KKAFRM CCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000027430389 561859213 /nfs/dbraw/zinc/85/92/13/561859213.db2.gz ZFRCSMMBLAERFG-SKCUWOTOSA-N -1 0 511.640 5.374 1 0 KKAFRM CCCCc1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)ccc1C ZINC000027522845 561864587 /nfs/dbraw/zinc/86/45/87/561864587.db2.gz PNHUIGYHBQXQAN-UYOPKICRSA-N -1 0 571.827 8.792 1 0 KKAFRM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cccc(-c3nc4ccccc4[nH]3)c2)c2ccccc21 ZINC000027517318 561861079 /nfs/dbraw/zinc/86/10/79/561861079.db2.gz VDGPLLSJFGSYHL-VWLOTQADSA-N -1 0 530.584 5.113 1 0 KKAFRM O=C([O-])CCCC(=O)N1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027518312 561862200 /nfs/dbraw/zinc/86/22/00/561862200.db2.gz KOTIEALZHCIAGL-QFIPXVFZSA-N -1 0 546.508 5.381 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3c(n2)CC(C)(C)C3)c1 ZINC000027521740 561864135 /nfs/dbraw/zinc/86/41/35/561864135.db2.gz QCBBZDIVKHHUTB-GYWJEMOSSA-N -1 0 569.811 8.266 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)[O-])CC3)C(=O)N(CC(C)(C)COC(=O)C(C)C)c3ccc(Cl)cc32)c1OC ZINC000027523035 561864727 /nfs/dbraw/zinc/86/47/27/561864727.db2.gz WZASNWXSDNALQQ-GRKNLSHJSA-N -1 0 673.203 5.507 1 0 KKAFRM CC(C)c1cccc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)[O-])CC3)c2)n1 ZINC000027524101 561865452 /nfs/dbraw/zinc/86/54/52/561865452.db2.gz XLYKIVOUGYCXDI-JRTDPZRASA-N -1 0 543.773 8.265 1 0 KKAFRM CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 ZINC000027555468 561869453 /nfs/dbraw/zinc/86/94/53/561869453.db2.gz YZBOMOUHKKEBDP-AWCRTANDSA-N -1 0 590.767 6.774 1 0 KKAFRM [O-]c1c(Br)cc(Br)cc1Oc1c(O)cc(Br)c(Br)c1Br ZINC000027562871 561871188 /nfs/dbraw/zinc/87/11/88/561871188.db2.gz WMMMSBGZKIDZDQ-UHFFFAOYSA-N -1 0 596.689 6.703 1 0 KKAFRM O=C([O-])c1cccc(C(CC(=O)c2ccc(I)cc2)CC(=O)c2ccc(I)cc2)c1 ZINC000027637017 561874682 /nfs/dbraw/zinc/87/46/82/561874682.db2.gz MMOKVXNSARIPHG-UHFFFAOYSA-N -1 0 624.212 6.224 1 0 KKAFRM O=C([O-])CCCOc1ccccc1-c1cc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2o1 ZINC000027637969 561874816 /nfs/dbraw/zinc/87/48/16/561874816.db2.gz VTZAFBOWFLZDGB-UHFFFAOYSA-N -1 0 505.570 6.863 1 0 KKAFRM CCCn1nc(C(C)C)c(C(N)=O)c1Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000027642505 561875476 /nfs/dbraw/zinc/87/54/76/561875476.db2.gz MFFTZEBTZQGRMI-UHFFFAOYSA-N -1 0 508.566 5.035 1 0 KKAFRM Cc1cn(CCn2cc(CC(=O)NCCCCCCCCCCCC(=O)[O-])c3ccccc32)c2ccccc12 ZINC000027648959 561876283 /nfs/dbraw/zinc/87/62/83/561876283.db2.gz DGVTUIVKMWWIBR-UHFFFAOYSA-N -1 0 529.725 7.249 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)Nc3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1 ZINC000027653389 561876972 /nfs/dbraw/zinc/87/69/72/561876972.db2.gz CGMCDTAIHSLRBR-AMYQOBTNSA-N -1 0 659.592 5.690 1 0 KKAFRM CCCCc1nnc(SCC(=O)c2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000027704126 561878555 /nfs/dbraw/zinc/87/85/55/561878555.db2.gz OGFPAIJDFVKIOA-UHFFFAOYSA-N -1 0 528.634 5.595 1 0 KKAFRM Cc1ccc(S(=O)(=O)N2C3CCC(CC3)[C@@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)C(=O)[O-])cc1 ZINC000027708632 561879338 /nfs/dbraw/zinc/87/93/38/561879338.db2.gz DAXARQWUAAGHQQ-SXQIWPLFSA-N -1 0 679.022 5.951 1 0 KKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC[C@H](P(=O)(O[C@H](C)OC(=O)c1ccccc1)O[C@H](C)OC(=O)c1ccccc1)S(=O)(=O)[O-] ZINC000027710790 561879621 /nfs/dbraw/zinc/87/96/21/561879621.db2.gz GDFNAFJNWYCPAC-JRJXVOJVSA-N -1 0 704.819 9.422 1 0 KKAFRM COc1ccccc1Cn1c2c3ccccc3oc2c(-c2cc(OC)c(OC)c(OC)c2)c(C(=O)[O-])c1=O ZINC000027714927 561880163 /nfs/dbraw/zinc/88/01/63/561880163.db2.gz GHGGCAKXIIVIBP-UHFFFAOYSA-N -1 0 515.518 5.196 1 0 KKAFRM CCCN(c1ccc2c(c1)oc1c2n(Cc2ccccc2OC)c(=O)c(C(=O)[O-])c1-c1ccc(OC)cc1)S(C)(=O)=O ZINC000027717123 561880257 /nfs/dbraw/zinc/88/02/57/561880257.db2.gz ZOROKKMHSMAWKA-UHFFFAOYSA-N -1 0 590.654 5.354 1 0 KKAFRM CC(C)(C)c1cc2c(C(=O)[O-])c(c1)CO[C@@H](COc1ccccc1)COc1ccccc1OCCOCCOCCOC2 ZINC000027861932 561887148 /nfs/dbraw/zinc/88/71/48/561887148.db2.gz JJLZBHUQYYXKCO-LJAQVGFWSA-N -1 0 594.701 5.668 1 0 KKAFRM COc1cc2c(C(=O)[O-])c(c1)COCCOCCOc1c(C)cc(C(C)(C)CC(C)(C)C)cc1OCCOCCOC2 ZINC000027868813 561887993 /nfs/dbraw/zinc/88/79/93/561887993.db2.gz SPYPGLAGKGSWOZ-UHFFFAOYSA-N -1 0 588.738 5.953 1 0 KKAFRM CN(CC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027870131 561888233 /nfs/dbraw/zinc/88/82/33/561888233.db2.gz QGEKWHBUGJDNRH-KDXMTYKHSA-N -1 0 670.702 7.115 1 0 KKAFRM CN(CC(=O)NCCc1ccccc1)C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc21)[P@@](=O)([O-])O ZINC000027874211 561888475 /nfs/dbraw/zinc/88/84/75/561888475.db2.gz SRLCKFGMOQLAKE-MGBGTMOVSA-N -1 0 594.604 5.526 1 0 KKAFRM CCCc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccc(C)cc2)c(OCCOc2ncc(Br)cn2)n1 ZINC000027977750 561891361 /nfs/dbraw/zinc/89/13/61/561891361.db2.gz BHSAHNPXJBATRX-UHFFFAOYSA-N -1 0 640.604 6.513 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000027985904 561892174 /nfs/dbraw/zinc/89/21/74/561892174.db2.gz RHKWYYYQOWXGHD-DEOSSOPVSA-N -1 0 556.478 5.015 1 0 KKAFRM CCCC[C@@H](C(=O)[O-])N1C(=O)[C@H](CC(=O)NCCc2ccccc2Cl)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991415 561893038 /nfs/dbraw/zinc/89/30/38/561893038.db2.gz PFGBHWSQDVOTAD-NGCAANIMSA-N -1 0 637.242 7.765 1 0 KKAFRM O=C([O-])C1CCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021939 561898726 /nfs/dbraw/zinc/89/87/26/561898726.db2.gz BDMKWKGKWYADLX-FGZHOGPDSA-N -1 0 589.680 5.390 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC23CC4CC(CC(C4)C2)C3)nc1C(=O)[O-] ZINC000028091046 561899939 /nfs/dbraw/zinc/89/99/39/561899939.db2.gz GDOJAPBZYKAXMB-CZAVTBICSA-N -1 0 589.737 5.256 1 0 KKAFRM CCc1sc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)nc1C(=O)[O-] ZINC000028096774 561900994 /nfs/dbraw/zinc/90/09/94/561900994.db2.gz PAPJDCLJDVFZKU-XZOQPEGZSA-N -1 0 553.729 5.285 1 0 KKAFRM Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2C3CC4CC(C3)CC2C4)nc1C(=O)[O-] ZINC000028102644 561901952 /nfs/dbraw/zinc/90/19/52/561901952.db2.gz TUXSIOWRGPBJOV-PLDAEJBMSA-N -1 0 589.737 5.112 1 0 KKAFRM CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCOc2ccccc2)s1)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl ZINC000028115632 561903621 /nfs/dbraw/zinc/90/36/21/561903621.db2.gz NZNTWETUFKLVLS-UHFFFAOYSA-N -1 0 623.518 5.913 1 0 KKAFRM Cc1nn(-c2ccccc2)c2ncc3c(OCCCCCC(=O)[O-])c(-c4ccc(Cl)cc4)sc3c12 ZINC000028219470 561907189 /nfs/dbraw/zinc/90/71/89/561907189.db2.gz ZHZFUNLWOUPTAX-UHFFFAOYSA-N -1 0 506.027 7.288 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 ZINC000028230498 561908948 /nfs/dbraw/zinc/90/89/48/561908948.db2.gz SQDPMXOFVRWYMR-CZMKHNCBSA-N -1 0 607.688 5.948 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1c1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1c1ccccc1 ZINC000028248784 561910846 /nfs/dbraw/zinc/91/08/46/561910846.db2.gz QNIDABGBPRCNPO-KYJUHHDHSA-N -1 0 697.493 6.975 1 0 KKAFRM COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](C(=O)[O-])CC[C@@H]21 ZINC000028256325 561911533 /nfs/dbraw/zinc/91/15/33/561911533.db2.gz DYLGUYDUDLRNRZ-ZUDIJIITSA-N -1 0 538.637 5.720 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)NCC(=O)[O-])cc2)cc1 ZINC000028342085 561914275 /nfs/dbraw/zinc/91/42/75/561914275.db2.gz QLTXALWODKFLKU-UHFFFAOYSA-N -1 0 615.752 5.889 1 0 KKAFRM O=C([O-])[C@@H](c1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccc(I)c1 ZINC000028343483 561914511 /nfs/dbraw/zinc/91/45/11/561914511.db2.gz QHTQZPBBQSXYLJ-HXUWFJFHSA-N -1 0 539.291 5.778 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H](C(=O)[O-])C3)c2)cc1C(F)(F)F ZINC000028344668 561914584 /nfs/dbraw/zinc/91/45/84/561914584.db2.gz SKCJPAKVOZQNSP-FQEVSTJZSA-N -1 0 500.586 7.343 1 0 KKAFRM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(C(=O)[O-])CC3)ncn2)cc1C(F)(F)F ZINC000028348360 561915311 /nfs/dbraw/zinc/91/53/11/561915311.db2.gz ACLVTPBNANYOKG-UHFFFAOYSA-N -1 0 501.574 6.738 1 0 KKAFRM CC(C)CN(C(=O)c1ccccc1)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352453 561915664 /nfs/dbraw/zinc/91/56/64/561915664.db2.gz FOYRCKWYFPZSNR-HHHXNRCGSA-N -1 0 589.519 7.959 1 0 KKAFRM COCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352480 561915674 /nfs/dbraw/zinc/91/56/74/561915674.db2.gz DGTPDOWNYVTTSD-DEOSSOPVSA-N -1 0 629.581 7.674 1 0 KKAFRM CC(C)CN(C(=O)C(C)C)c1cccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352142 561915688 /nfs/dbraw/zinc/91/56/88/561915688.db2.gz JGYQKOZVMMAYHC-XMMPIXPASA-N -1 0 555.502 7.302 1 0 KKAFRM CC(C)CN(C(=O)c1ccccc1)c1cccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])c1 ZINC000028352457 561915724 /nfs/dbraw/zinc/91/57/24/561915724.db2.gz FOYRCKWYFPZSNR-MHZLTWQESA-N -1 0 589.519 7.959 1 0 KKAFRM CC(C)CN(C(=O)C(C)(C)C)c1cc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])ccc1OC(C)C ZINC000028356185 561916226 /nfs/dbraw/zinc/91/62/26/561916226.db2.gz QFKSUZWCKIXRSF-VWLOTQADSA-N -1 0 627.609 8.479 1 0 KKAFRM Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCC(=O)NCCCC(=O)[O-])c2)cc1 ZINC000028362538 561917036 /nfs/dbraw/zinc/91/70/36/561917036.db2.gz NNGQDVVTNUAISS-UHFFFAOYSA-N -1 0 631.751 5.725 1 0 KKAFRM Cc1cc(O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[C@@]1(c2ccccc2)C(=O)Nc2ccccc21 ZINC000028460205 561924877 /nfs/dbraw/zinc/92/48/77/561924877.db2.gz UYMFGHZKRJSGGC-HKBQPEDESA-N -1 0 526.658 6.085 1 0 KKAFRM O=C([O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000028520481 561928944 /nfs/dbraw/zinc/92/89/44/561928944.db2.gz SBINUGHRENPENV-QNGOZBTKSA-N -1 0 534.328 6.435 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2OCc2ccccc2Cl)nc1 ZINC000028523821 561930455 /nfs/dbraw/zinc/93/04/55/561930455.db2.gz SDXLWYFDBUHENI-UHFFFAOYSA-N -1 0 523.372 6.497 1 0 KKAFRM CC(C)(C)c1ccc(-n2c3ccc(Cl)cc3c(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C(=O)[O-])cc1 ZINC000028528484 561933056 /nfs/dbraw/zinc/93/30/56/561933056.db2.gz VXKGWUYWBPEMJV-UHFFFAOYSA-N -1 0 555.902 9.110 1 0 KKAFRM CC[C@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21 ZINC000028565411 561936140 /nfs/dbraw/zinc/93/61/40/561936140.db2.gz BVFHNBILEFPJHJ-UIOOFZCWSA-N -1 0 511.618 7.088 1 0 KKAFRM Cc1c(CCS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2cc(Cl)c(Cl)cc2n1C(c1ccccc1)c1ccccc1 ZINC000028567214 561936676 /nfs/dbraw/zinc/93/66/76/561936676.db2.gz XVISYCIIXHEMTE-UHFFFAOYSA-N -1 0 578.517 7.609 1 0 KKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc(OC(c3ccc(F)cc3)c3ccc(F)cc3)cc1F)n2C1CCCCC1 ZINC000028572581 561940309 /nfs/dbraw/zinc/94/03/09/561940309.db2.gz QYYBLDFJIHIIFI-UHFFFAOYSA-N -1 0 556.584 8.492 1 0 KKAFRM O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCc3ccccc3)c2)cc1 ZINC000028604225 561940614 /nfs/dbraw/zinc/94/06/14/561940614.db2.gz LAJWIRXXDMIBAV-UHFFFAOYSA-N -1 0 581.444 5.779 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nc7ccccc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000028637443 561941711 /nfs/dbraw/zinc/94/17/11/561941711.db2.gz PZXBKLQKIPVVQC-ZHVKMDNCSA-N -1 0 542.808 8.466 1 0 KKAFRM CC(C)(C)c1ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)[O-] ZINC000028638285 561942062 /nfs/dbraw/zinc/94/20/62/561942062.db2.gz FCOUBCLYWFTERE-SUHSUELASA-N -1 0 664.971 7.749 1 0 KKAFRM CC(C)(C)c1cc(SC(C)(C)Sc2ccc(C(C)(C)C)c(OCC(=O)NCC(=O)[O-])c2C(C)(C)C)cc(C(C)(C)C)c1O ZINC000028638732 561942330 /nfs/dbraw/zinc/94/23/30/561942330.db2.gz ISMCXAVJTKMLFB-UHFFFAOYSA-N -1 0 631.945 8.782 1 0 KKAFRM CCO[P@](=O)([O-])c1ccc(Cn2c3ccccc3n(Cc3nc4ccccc4n3CCC(C)C)c2=O)cc1 ZINC000028570823 561939170 /nfs/dbraw/zinc/93/91/70/561939170.db2.gz HPGBPRMDHKFFOX-UHFFFAOYSA-N -1 0 532.581 5.143 1 0 KKAFRM CN1c2ccc(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708830 561950558 /nfs/dbraw/zinc/95/05/58/561950558.db2.gz GPLNDTLLVAWJSL-UHFFFAOYSA-N -1 0 662.730 8.716 1 0 KKAFRM CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)Nc4ccc(C(=O)[O-])cc4)cc3)C[C@@]21C ZINC000028709060 561950561 /nfs/dbraw/zinc/95/05/61/561950561.db2.gz SBGTVCVPMUXGLB-JSUOZBLFSA-N -1 0 592.736 6.114 1 0 KKAFRM CN1CCN(S(=O)(=O)c2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)CC1 ZINC000028708875 561950572 /nfs/dbraw/zinc/95/05/72/561950572.db2.gz ZEJDSUGZNLJRPP-UHFFFAOYSA-N -1 0 600.785 5.920 1 0 KKAFRM CN1c2ccc(S(=O)(=O)N3CCOCC3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028708870 561950586 /nfs/dbraw/zinc/95/05/86/561950586.db2.gz AXLZJABQGNPSHJ-UHFFFAOYSA-N -1 0 587.742 6.005 1 0 KKAFRM Cc1cc2c(s1)C(=O)[C@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)[O-])C2=O ZINC000028650724 561946040 /nfs/dbraw/zinc/94/60/40/561946040.db2.gz YZTDSYOCUIVLOS-FSDPBTBWSA-N -1 0 704.393 5.263 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2Oc1ccc([C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc1 ZINC000028712765 561953316 /nfs/dbraw/zinc/95/33/16/561953316.db2.gz QNBOKHBRPGENGX-PHCUSUGSSA-N -1 0 734.797 7.024 1 0 KKAFRM CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)C[P@](=O)([O-])Cc1ccc(Oc2ccccc2)cc1 ZINC000028760744 561957937 /nfs/dbraw/zinc/95/79/37/561957937.db2.gz FNRUAYMIOPVPNN-UFHPHHKVSA-N -1 0 552.608 5.091 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CC1CCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028761329 561958090 /nfs/dbraw/zinc/95/80/90/561958090.db2.gz JSOUFOXMENBKFM-FTJBHMTQSA-N -1 0 512.631 5.131 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)Cc2ccccc2)c1C ZINC000028767814 561960075 /nfs/dbraw/zinc/96/00/75/561960075.db2.gz CJGRNBWHDOSFES-UHFFFAOYSA-N -1 0 556.644 5.615 1 0 KKAFRM Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CCc2ccccc2)c1C ZINC000028768328 561960271 /nfs/dbraw/zinc/96/02/71/561960271.db2.gz CMRIQBLOCJBMQY-UHFFFAOYSA-N -1 0 570.671 6.005 1 0 KKAFRM COc1cccc(Sc2c3cc(OCc4ccccc4)c(OC)cc3n(Cc3ccc4c(c3)OCO4)c2C(=O)[O-])c1 ZINC000028769130 561960732 /nfs/dbraw/zinc/96/07/32/561960732.db2.gz NIGCNIFGPYTDPJ-UHFFFAOYSA-N -1 0 569.635 6.864 1 0 KKAFRM COc1cccc(Sc2c3cc4c(cc3n(Cc3cc5c(c(OC)c3)OCO5)c2C(=O)[O-])OCO4)c1 ZINC000028771337 561961500 /nfs/dbraw/zinc/96/15/00/561961500.db2.gz GHQLZFCVPBBGLP-UHFFFAOYSA-N -1 0 507.520 5.014 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C(=O)N(CCc2ccccc2)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000028816332 561964116 /nfs/dbraw/zinc/96/41/16/561964116.db2.gz QSCYLLOENUTJSA-UHFFFAOYSA-N -1 0 663.985 9.592 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@@H]2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000028819976 561965957 /nfs/dbraw/zinc/96/59/57/561965957.db2.gz KUADILUHMQRNHV-QHCPKHFHSA-N -1 0 611.495 6.414 1 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CGUNKSWFFNINCY-UHFFFAOYSA-N -1 0 607.776 8.093 1 0 KKAFRM CN1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C ZINC000028824149 561969173 /nfs/dbraw/zinc/96/91/73/561969173.db2.gz UXNXFXPRRZLAAT-UHFFFAOYSA-N -1 0 607.776 7.926 1 0 KKAFRM CCCCS(=O)(=O)Nc1ccc2c(c1)N=C(c1ccc(C(=O)[O-])cc1)c1cc3c(cc1N2CCC)C(C)(C)CCC3(C)C ZINC000028824148 561969216 /nfs/dbraw/zinc/96/92/16/561969216.db2.gz KJHJGOYSQXEGLD-UHFFFAOYSA-N -1 0 601.813 8.306 1 0 KKAFRM C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)[O-])C[C@H]1CC(=O)CC[C@@]13C ZINC000028824535 561969781 /nfs/dbraw/zinc/96/97/81/561969781.db2.gz MZBFKSCMIOVNQI-NAOVUBSCSA-N -1 0 620.784 9.375 1 0 KKAFRM CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3sc4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)[O-] ZINC000028825493 561970842 /nfs/dbraw/zinc/97/08/42/561970842.db2.gz WQCJKMGDGUHOFD-QGZVFWFLSA-N -1 0 540.056 7.865 1 0 KKAFRM Cc1ccc(-c2nc3ccc(C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])cc3nc2-c2ccc(C)cc2)cc1 ZINC000028879409 561976271 /nfs/dbraw/zinc/97/62/71/561976271.db2.gz KIAYJDVKPBSVLR-PMERELPUSA-N -1 0 540.623 6.488 1 0 KKAFRM CC1(C)CC(Nc2cccc(-c3sc(-c4nn[nH]n4)c(OCC(=O)[O-])c3Br)c2)CC(C)(C)C1 ZINC000028887027 561977681 /nfs/dbraw/zinc/97/76/81/561977681.db2.gz BYSLIJQSCANRQW-UHFFFAOYSA-N -1 0 534.480 5.838 1 0 KKAFRM CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2)cc1)C(=O)[O-] ZINC000028948415 561980334 /nfs/dbraw/zinc/98/03/34/561980334.db2.gz HJPVBSQDSPVCRZ-RRZIWXQWSA-N -1 0 566.606 6.249 1 0 KKAFRM Cc1cc2c(cc1-c1cc(/C=C/C(=O)[O-])ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C ZINC000028952497 561982061 /nfs/dbraw/zinc/98/20/61/561982061.db2.gz UTSXJPKPEYSNHD-FNORWQNLSA-N -1 0 501.423 6.235 1 0 KKAFRM CC(C)c1c(S(=O)(=O)N2CCCCC2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000029037709 561988677 /nfs/dbraw/zinc/98/86/77/561988677.db2.gz LXVJYAUJKJERKM-CLJLJLNGSA-N -1 0 586.726 5.236 1 0 KKAFRM Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1cc([C@](O)(C(=O)[O-])C(F)(F)F)ccc1OCCc1ccccc1 ZINC000028961602 561984347 /nfs/dbraw/zinc/98/43/47/561984347.db2.gz XNNIOBJKRYGVIG-NDEPHWFRSA-N -1 0 592.035 6.849 1 0 KKAFRM CCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972003 561985908 /nfs/dbraw/zinc/98/59/08/561985908.db2.gz ZCSQRIUSNYWMRH-LJQANCHMSA-N -1 0 526.646 7.055 1 0 KKAFRM CCN(C(=O)Nc1ccc(OC(F)(F)F)c(Cl)c1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)[O-])cc2C1 ZINC000028972170 561986037 /nfs/dbraw/zinc/98/60/37/561986037.db2.gz RCPIUTPSFYISEU-MRXNPFEDSA-N -1 0 516.969 6.215 1 0 KKAFRM CC(C)CCN1CC=C(CCC[C@H](CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)[O-])C1=O ZINC000028973310 561986187 /nfs/dbraw/zinc/98/61/87/561986187.db2.gz WCHHCUSNEGNTQI-JVUUKAHWSA-N -1 0 537.807 6.986 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CCC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973683 561986279 /nfs/dbraw/zinc/98/62/79/561986279.db2.gz PNXGQJYPAQEZOP-FQLXRVMXSA-N -1 0 554.712 6.301 1 0 KKAFRM CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000028973662 561986299 /nfs/dbraw/zinc/98/62/99/561986299.db2.gz LQDHQVJPGDBOJR-VSGBNLITSA-N -1 0 540.685 5.911 1 0 KKAFRM O=C([O-])Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc(C(F)(F)F)cc3)c2)c(Br)c1 ZINC000028973889 561986303 /nfs/dbraw/zinc/98/63/03/561986303.db2.gz LDAQJAHGYVAIQJ-UHFFFAOYSA-N -1 0 560.160 6.946 1 0 KKAFRM O=C([O-])Cc1ccc(NCc2cccc(-c3c(Cc4ccccc4)cnc4c3cccc4C(F)(F)F)c2)c2ccccc12 ZINC000028978892 561988042 /nfs/dbraw/zinc/98/80/42/561988042.db2.gz UUIQBDLORYXQJP-UHFFFAOYSA-N -1 0 576.618 8.904 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H]2CN(C(=O)Oc3ccccc3)CC[C@H]2CC(=O)[O-])c1 ZINC000029045536 561992464 /nfs/dbraw/zinc/99/24/64/561992464.db2.gz IIGKUFIQZADLCW-LBNVMWSVSA-N -1 0 540.616 6.351 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)[O-])CCN(C(=O)OCC(C)C)C2)c1 ZINC000029046011 561992717 /nfs/dbraw/zinc/99/27/17/561992717.db2.gz RGJJVFKNBSTCCV-UHFFFAOYSA-N -1 0 518.610 5.694 1 0 KKAFRM C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)CC1)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F ZINC000029128965 562001440 /nfs/dbraw/zinc/00/14/40/562001440.db2.gz LLKPCYJBVUMKNP-SECBINFHSA-N -1 0 544.279 5.227 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(Cl)cc3)[C@@H]2C(=O)[O-])c1 ZINC000029126611 561998755 /nfs/dbraw/zinc/99/87/55/561998755.db2.gz SDFVRVMCCOASEM-AHWVRZQESA-N -1 0 516.981 5.584 1 0 KKAFRM Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(Cl)cc3)[C@H]2C(=O)[O-])c1 ZINC000029126613 561998778 /nfs/dbraw/zinc/99/87/78/561998778.db2.gz SDFVRVMCCOASEM-AZGAKELHSA-N -1 0 516.981 5.584 1 0 KKAFRM O=C([O-])c1nc(CN(C2CCCCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1Cc1ccc(-c2ccccc2)cc1 ZINC000029128558 562000940 /nfs/dbraw/zinc/00/09/40/562000940.db2.gz GBTGJEIWPHUICK-UHFFFAOYSA-N -1 0 598.552 7.196 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2F)cc1 ZINC000029131210 562002809 /nfs/dbraw/zinc/00/28/09/562002809.db2.gz BSJVPHUZDUJPJJ-UHFFFAOYSA-N -1 0 681.229 8.466 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2Cl)cc1 ZINC000029130745 562002932 /nfs/dbraw/zinc/00/29/32/562002932.db2.gz MKEJMUNHBMFPKC-UHFFFAOYSA-N -1 0 697.684 8.980 1 0 KKAFRM O=C([O-])Cc1cccc(NC(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)c1 ZINC000029213369 562006163 /nfs/dbraw/zinc/00/61/63/562006163.db2.gz KJDYOKAFDJUKGM-XMMPIXPASA-N -1 0 574.505 5.321 1 0 KKAFRM CN(Cc1ccccc1)C(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)[O-] ZINC000029214686 562006253 /nfs/dbraw/zinc/00/62/53/562006253.db2.gz KWHPSBAKIHLJHM-NSOVKSMOSA-N -1 0 673.638 5.063 1 0 KKAFRM CCCCOc1c(OC)cc(CN(CC[N@H+](CC(=O)[O-])Cc2cc(OC)c(OCCCC)c(OC)c2)C(=O)[O-])cc1OC ZINC000029218075 562006857 /nfs/dbraw/zinc/00/68/57/562006857.db2.gz LBFUTBPRUQXSAW-UHFFFAOYSA-N -1 0 606.713 5.146 1 0 KKAFRM O=C([O-])c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ncc5ccccc5n4)c3)oc12 ZINC000029221725 562007352 /nfs/dbraw/zinc/00/73/52/562007352.db2.gz FEGCUSQYQHOKFE-UHFFFAOYSA-N -1 0 503.308 5.443 1 0 KKAFRM O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000029221979 562007354 /nfs/dbraw/zinc/00/73/54/562007354.db2.gz SMLBIQFQTTWYDY-YZUKIZEGSA-N -1 0 691.697 5.443 1 0 KKAFRM Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1CCOc1ccc(C[C@H]2OC(=O)[N-]C2=O)cc1 ZINC000029331401 562013861 /nfs/dbraw/zinc/01/38/61/562013861.db2.gz SIIVSOMWVRSLHN-LJQANCHMSA-N -1 0 528.405 5.487 1 0 KKAFRM CC(C)(C(=O)[O-])c1cccc(-c2ccc([C@H](Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cc2)c1 ZINC000029238806 562009956 /nfs/dbraw/zinc/00/99/56/562009956.db2.gz OYWPKJMMVVHGCE-VWLOTQADSA-N -1 0 569.551 6.927 1 0 KKAFRM CC[C@@](C)(c1cc(Br)c([O-])c(Br)c1)[C@H](CCCCO)c1ccc(O)c(Br)c1 ZINC000029332786 562013970 /nfs/dbraw/zinc/01/39/70/562013970.db2.gz GKYMIMICPDQPRZ-VFNWGFHPSA-N -1 0 565.140 6.999 1 0 KKAFRM CCCCc1cn(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(Cn3ccc4ccccc43)cc2c1=O ZINC000029254879 562011712 /nfs/dbraw/zinc/01/17/12/562011712.db2.gz CIESODFYLDNJEH-UHFFFAOYSA-N -1 0 540.663 7.761 1 0 KKAFRM COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])c(OC(C)C)c1 ZINC000029313174 562012197 /nfs/dbraw/zinc/01/21/97/562012197.db2.gz GYPOJYXMDPSAQP-GMQQYTKMSA-N -1 0 504.583 5.405 1 0 KKAFRM CC(=O)O[C@H](CCCOC(=O)C[C@@H](OC(=O)CCCCCCCCCCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-])[C@H](C)Cc1ccccc1 ZINC000029342182 562015543 /nfs/dbraw/zinc/01/55/43/562015543.db2.gz BYEDDTDPRZPVJP-LPMCDCQYSA-N -1 0 723.904 7.088 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc3cc(C(F)(F)F)ccc3s2)c1 ZINC000029344307 562016038 /nfs/dbraw/zinc/01/60/38/562016038.db2.gz FIUBJSMGGBIFMN-MGUPHCMFSA-N -1 0 625.778 9.375 1 0 KKAFRM CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2nc(C3CC3)cs2)c1 ZINC000029391098 562017398 /nfs/dbraw/zinc/01/73/98/562017398.db2.gz FBFZTGWXXCGIHM-MGUPHCMFSA-N -1 0 547.786 8.080 1 0 KKAFRM CC(C)=CC(=O)C[C@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC[C@@H]5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])[C@@H]4CC[C@@]3(C)[C@H]12 ZINC000029403040 562019971 /nfs/dbraw/zinc/01/99/71/562019971.db2.gz FILHRDIXAYLUHH-FTADFXSXSA-N -1 0 540.697 5.665 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000029408290 562021205 /nfs/dbraw/zinc/02/12/05/562021205.db2.gz YIVLVQCCQGQDTD-QHCPKHFHSA-N -1 0 525.432 5.870 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(NC(=O)c2cccnc2Oc2ccccc2)cc1)NC(=O)C1(c2ccccc2)CCCC1 ZINC000029412268 562022025 /nfs/dbraw/zinc/02/20/25/562022025.db2.gz HDOZBMYXJGDRHJ-NDEPHWFRSA-N -1 0 549.627 5.750 1 0 KKAFRM CCCc1c(O)c(C(C)=O)ccc1OCCCOc1c(C(C)=O)ccc(OCCCC(=O)[O-])c1CCC ZINC000029470999 562025555 /nfs/dbraw/zinc/02/55/55/562025555.db2.gz PFNMDMFQJFQOLA-UHFFFAOYSA-N -1 0 514.615 5.794 1 0 KKAFRM CCCn1cc(Cc2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)OC3CCCC3)ccc21 ZINC000029471614 562025674 /nfs/dbraw/zinc/02/56/74/562025674.db2.gz FBPYZEIBVBASHS-UHFFFAOYSA-N -1 0 589.714 6.261 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCC3)cc12 ZINC000029475713 562026481 /nfs/dbraw/zinc/02/64/81/562026481.db2.gz LRXDBHMSRBIJLN-UHFFFAOYSA-N -1 0 595.121 5.614 1 0 KKAFRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029477171 562026506 /nfs/dbraw/zinc/02/65/06/562026506.db2.gz FZLJIXUUQNYCNR-UHFFFAOYSA-N -1 0 559.688 5.713 1 0 KKAFRM O=C([O-])[C@]12CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]1[C@@]1(c3ccccc3)CC[C@@H]2c2ccccc21 ZINC000029487925 562028720 /nfs/dbraw/zinc/02/87/20/562028720.db2.gz KDTDWMZTXOVVQL-XNILUJEESA-N -1 0 541.647 6.816 1 0 KKAFRM CCCc1c(OCc2cccc(COc3cc4c(cc3C(C)=O)CC[C@@H](C(=O)[O-])O4)c2)ccc(C(C)=O)c1O ZINC000029489687 562029198 /nfs/dbraw/zinc/02/91/98/562029198.db2.gz UAARQLSCDQQHJS-MHZLTWQESA-N -1 0 532.589 5.686 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCCC(=O)[O-])CC[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 ZINC000029553657 562031592 /nfs/dbraw/zinc/03/15/92/562031592.db2.gz RTSHVURFERRWRF-XPWYKWPQSA-N -1 0 555.844 7.520 1 0 KKAFRM O=C([O-])CCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1 ZINC000029563061 562033700 /nfs/dbraw/zinc/03/37/00/562033700.db2.gz UICLKHCKXGFMBB-UVHMKAGCSA-N -1 0 515.654 6.904 1 0 KKAFRM C[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000033505316 562037429 /nfs/dbraw/zinc/03/74/29/562037429.db2.gz MRPRZAHMOKCOAB-QGZVFWFLSA-N -1 0 500.555 5.257 1 0 KKAFRM C[C@@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000034080912 562038239 /nfs/dbraw/zinc/03/82/39/562038239.db2.gz POVKMUXXHHNJIG-CECLQJIQSA-N -1 0 526.593 5.656 1 0 KKAFRM C[C@H](CCOc1ccc(CCC(=O)[O-])c(C(F)(F)F)c1)Oc1ccc(Cl)cc1Oc1ccccc1 ZINC000034717700 562039886 /nfs/dbraw/zinc/03/98/86/562039886.db2.gz HIOGFQCBUGMDNX-QGZVFWFLSA-N -1 0 508.920 7.405 1 0 KKAFRM COc1ccc(CC[C@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](CC2CC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCC(=O)[O-])c2)cc1OC ZINC000034799726 562040650 /nfs/dbraw/zinc/04/06/50/562040650.db2.gz GXAFMKJFWWBYNW-RTOKGZNSSA-N -1 0 719.828 6.375 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000034801805 562041472 /nfs/dbraw/zinc/04/14/72/562041472.db2.gz HCCYYUWFQWPMDZ-ZCLHRBOTSA-N -1 0 696.741 5.279 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4ncc(-c5ccccc5)o4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802366 562041711 /nfs/dbraw/zinc/04/17/11/562041711.db2.gz FRDQLMYGRCNAES-UHFFFAOYSA-N -1 0 527.533 5.551 1 0 KKAFRM CCOCC[C@]1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccc5)co4)cc3)cc2)C(=O)[N-]C(=O)NC1=O ZINC000034802392 562041886 /nfs/dbraw/zinc/04/18/86/562041886.db2.gz OSPKZTFBTJTJIO-UHFFFAOYSA-N -1 0 527.533 5.551 1 0 KKAFRM O=C(c1c([O-])n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000035017490 562044377 /nfs/dbraw/zinc/04/43/77/562044377.db2.gz XYXFHVHOBJXCNL-UHFFFAOYSA-N -1 0 509.267 5.770 1 0 KKAFRM CN1c2ccc(I)cc2C(=O)N([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000036184582 562050154 /nfs/dbraw/zinc/05/01/54/562050154.db2.gz NFQDVKDBCGSJQN-LEWJYISDSA-N -1 0 595.220 5.584 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COCC(C)(C)C)C(=O)[O-])c(C)c1 ZINC000035975040 562045979 /nfs/dbraw/zinc/04/59/79/562045979.db2.gz QVJHMRWWDUKACM-DEOSSOPVSA-N -1 0 505.615 5.655 1 0 KKAFRM CCCc1cc(Cn2c(CC)nc3c2nc(C)cc3C)cc(CCC)c1O[C@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000036238185 562051868 /nfs/dbraw/zinc/05/18/68/562051868.db2.gz NNGHGYQUGDQKJY-PMERELPUSA-N -1 0 543.664 6.497 1 0 KKAFRM CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)c(COC)c1 ZINC000036238164 562051887 /nfs/dbraw/zinc/05/18/87/562051887.db2.gz MNJMLQKJRCXWRC-UHFFFAOYSA-N -1 0 579.723 5.025 1 0 KKAFRM CC(C)(O)c1ccccc1CS[C@H](CCC(C)(C)CC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000036268351 562052434 /nfs/dbraw/zinc/05/24/34/562052434.db2.gz PCGPFIBHLXORMZ-NDESMUNGSA-N -1 0 588.213 9.542 1 0 KKAFRM CC[C@H](CS[C@@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268411 562052462 /nfs/dbraw/zinc/05/24/62/562052462.db2.gz KFPTUNJJKOMORB-DFXYEROKSA-N -1 0 602.160 7.176 1 0 KKAFRM NS(=O)(=O)c1ccccc1CC[C@@H](SCCC(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268390 562052468 /nfs/dbraw/zinc/05/24/68/562052468.db2.gz NWKACWASVNUIPU-AREMUKBSSA-N -1 0 571.120 5.996 1 0 KKAFRM C[C@@H](CS[C@H](CCc1ccccc1C(=O)N(C)C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268437 562052528 /nfs/dbraw/zinc/05/25/28/562052528.db2.gz HZJBQKBZJJGRBH-URAOTHONSA-N -1 0 577.146 7.297 1 0 KKAFRM C[C@H](CS[C@@H](CCc1ccccc1C(=O)N(C)CO)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268445 562052555 /nfs/dbraw/zinc/05/25/55/562052555.db2.gz PZVKOQTVIUEKOI-DFXYEROKSA-N -1 0 593.145 6.617 1 0 KKAFRM CC[C@@H](CS[C@@H](CCc1ccccc1C(N)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268420 562052565 /nfs/dbraw/zinc/05/25/65/562052565.db2.gz APPLGAQTEJYNIL-WRONEBCDSA-N -1 0 563.119 7.084 1 0 KKAFRM C[C@@H](CS[C@H](CCc1ccccc1C(=O)N(C)CO)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)[O-] ZINC000036268447 562052573 /nfs/dbraw/zinc/05/25/73/562052573.db2.gz PZVKOQTVIUEKOI-URAOTHONSA-N -1 0 593.145 6.617 1 0 KKAFRM C[C@@H](CC[C@H](SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C ZINC000036268495 562052693 /nfs/dbraw/zinc/05/26/93/562052693.db2.gz RNIYBTBWFIDQPX-WUPRAPHZSA-N -1 0 525.114 7.202 1 0 KKAFRM CC(C)c1ccccc1CC[C@@H](SC[C@H](C)C(=O)[O-])c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268516 562052710 /nfs/dbraw/zinc/05/27/10/562052710.db2.gz FFZJFMQZNAAZIG-WKRVVKTRSA-N -1 0 548.148 8.718 1 0 KKAFRM CC(=O)N(C)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)[O-])ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000036350448 562058219 /nfs/dbraw/zinc/05/82/19/562058219.db2.gz WATVMIFATPCHKO-UHFFFAOYSA-N -1 0 626.128 8.928 1 0 KKAFRM O=C([O-])Cc1ccc(OCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c(Cl)c1 ZINC000037866960 562062374 /nfs/dbraw/zinc/06/23/74/562062374.db2.gz ONOWLZHMISYVLA-UHFFFAOYSA-N -1 0 536.647 7.003 1 0 KKAFRM CCOc1ccc([C@@H]2CC=C(C(=O)[O-])[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387350 562060242 /nfs/dbraw/zinc/06/02/42/562060242.db2.gz NPQPXFDRFRGCBJ-UIOOFZCWSA-N -1 0 512.027 5.935 3 0 KKAFRM Cc1ccc(S(=O)(=O)N2[C@H](c3ccc4c(c3)OCO4)CC=C(C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387351 562060252 /nfs/dbraw/zinc/06/02/52/562060252.db2.gz NTXFUOVIRZWCOG-DHLKQENFSA-N -1 0 511.983 5.265 3 0 KKAFRM COC(=O)c1ccc2[nH]c([C@H](Cc3ccc([C@@H]4CC(=O)[N-]S4(=O)=O)cc3)NS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000036748843 562061107 /nfs/dbraw/zinc/06/11/07/562061107.db2.gz XNESRZBWFVZRNF-VMPREFPWSA-N -1 0 644.731 5.010 1 0 KKAFRM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)S(=O)(=O)[N-]1 ZINC000036748841 562061147 /nfs/dbraw/zinc/06/11/47/562061147.db2.gz OMDFUCVEWRHQGW-VSGBNLITSA-N -1 0 654.692 6.242 1 0 KKAFRM CCOc1ccc2ccccc2c1-c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000037246101 562061623 /nfs/dbraw/zinc/06/16/23/562061623.db2.gz MPWSTMOVEPBKOE-UHFFFAOYSA-N -1 0 587.525 8.360 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)[O-])CCCCCCCCC2)c(C)c1 ZINC000038246695 562070646 /nfs/dbraw/zinc/07/06/46/562070646.db2.gz MPLHHHQTYRDVCF-UHFFFAOYSA-N -1 0 529.681 7.487 1 0 KKAFRM C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000038377631 562071477 /nfs/dbraw/zinc/07/14/77/562071477.db2.gz MZNOXHQFXHQCRQ-QUGAMOGWSA-N -1 0 684.880 7.510 1 0 KKAFRM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377635 562071499 /nfs/dbraw/zinc/07/14/99/562071499.db2.gz KXKHVDIJDBRCHO-IZZNHLLZSA-N -1 0 695.337 6.297 1 0 KKAFRM C[C@@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)[O-])C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377671 562071650 /nfs/dbraw/zinc/07/16/50/562071650.db2.gz SAGXSWWCECPDLO-QMTYFTJSSA-N -1 0 666.343 6.726 1 0 KKAFRM Cc1ccc(-c2ccccc2OCC(=O)Nc2ccc(-c3ccc(CC(=O)[O-])cc3)cc2Cl)c(Cl)c1 ZINC000040403884 562074698 /nfs/dbraw/zinc/07/46/98/562074698.db2.gz RKSMNJGZGUGXBB-UHFFFAOYSA-N -1 0 520.412 7.280 1 0 KKAFRM CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OS(=O)(=O)[O-])C4(C)C ZINC000039072250 562072676 /nfs/dbraw/zinc/07/26/76/562072676.db2.gz PYDWQIQFFVIPKS-IVUVJCJMSA-N -1 0 520.776 7.175 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000040408397 562075052 /nfs/dbraw/zinc/07/50/52/562075052.db2.gz XQOPTOJHOXSCDC-HHHXNRCGSA-N -1 0 506.023 5.894 1 0 KKAFRM CO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040420651 562075751 /nfs/dbraw/zinc/07/57/51/562075751.db2.gz BLSUWVUDRWYROL-NRFANRHFSA-N -1 0 505.514 6.147 1 0 KKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040575305 562078242 /nfs/dbraw/zinc/07/82/42/562078242.db2.gz QTOMJHOGJJSNIH-UHFFFAOYSA-N -1 0 503.702 5.952 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2cccc(Cl)c2)[C@@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000040846364 562080267 /nfs/dbraw/zinc/08/02/67/562080267.db2.gz WLENQQUQWDDDNI-PVHVJQTOSA-N -1 0 518.393 5.168 1 0 KKAFRM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c2c1cccc2Oc1ccc(F)c(F)c1 ZINC000040873805 562081760 /nfs/dbraw/zinc/08/17/60/562081760.db2.gz OZBGAGADZGVYPS-BJMVGYQFSA-N -1 0 504.461 5.045 1 0 KKAFRM O=C([O-])C1CCN(c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2F)CC1 ZINC000040874211 562081920 /nfs/dbraw/zinc/08/19/20/562081920.db2.gz BXVBMVIADPEONX-UHFFFAOYSA-N -1 0 512.460 5.055 1 0 KKAFRM CCCCOC(=O)[N-]S(=O)(=O)c1ccc(Cc2ccccc2)cc1-c1ccc(C(=O)N(CC)CC)cc1 ZINC000040935237 562084999 /nfs/dbraw/zinc/08/49/99/562084999.db2.gz MGJMQSQHIIDSGP-UHFFFAOYSA-N -1 0 522.667 5.641 1 0 KKAFRM Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c(C)c1 ZINC000040936802 562085212 /nfs/dbraw/zinc/08/52/12/562085212.db2.gz XAXCGSHRQAWXRM-UHFFFAOYSA-N -1 0 507.590 5.761 1 0 KKAFRM CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)c2ccsc21)C(=O)[O-] ZINC000040938791 562085645 /nfs/dbraw/zinc/08/56/45/562085645.db2.gz NXMDZTVQMITUKX-NDEPHWFRSA-N -1 0 527.642 7.185 1 0 KKAFRM CCC1C=C(c2cccc([C@H](COC)Cc3c([O-])c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)C=N1 ZINC000103533139 560050922 /nfs/dbraw/zinc/05/09/22/560050922.db2.gz IYORZYOHUUKIDT-VWLOTQADSA-N -1 0 598.672 5.957 1 0 biogenic,in-vitro KKAFRM COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c(C[C@@H]2CCc3cc4[nH]ccc4c4cccc2c34)c1=O ZINC000103533254 560050989 /nfs/dbraw/zinc/05/09/89/560050989.db2.gz MTKGBXLSPLRIKR-KRWDZBQOSA-N -1 0 518.545 6.278 1 0 biogenic,in-vitro KKAFRM COC(=O)[C@@H]1CC[C@@]2(CO)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C ZINC000095909195 560060007 /nfs/dbraw/zinc/06/00/07/560060007.db2.gz STQKYBTXLNHVNM-ZEWQSMEFSA-N -1 0 514.747 6.634 1 0 biogenic,in-vitro KKAFRM CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)[O-])CCc2c(CC3CCCC3)cccc2CC1 ZINC000085490751 560075439 /nfs/dbraw/zinc/07/54/39/560075439.db2.gz VIVZDNKYQKSMIK-JJFKXBCMSA-N -1 0 582.866 7.877 1 0 biogenic,in-vitro KKAFRM COC(=O)[C@@]1(C)CC[C@]2(C(=O)[O-])CC[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 ZINC000069481920 560078425 /nfs/dbraw/zinc/07/84/25/560078425.db2.gz BZXSGMYHHGCPEN-PURZOFEGSA-N -1 0 500.720 6.387 1 0 biogenic,in-vitro KKAFRM [O-]c1c(Br)cc(Br)c(Br)c1Oc1cc(Br)cc(Br)c1O ZINC000043066046 562645350 /nfs/dbraw/zinc/64/53/50/562645350.db2.gz QJOJMIGBIPHDPW-UHFFFAOYSA-N -1 0 596.689 6.703 1 0 KKAFRM O=C([O-])CCN1CCc2c(c3cc(F)ccc3n2Cc2cccc(/C=C/c3ccc4cc(F)c(F)cc4n3)c2)C1 ZINC000043071469 562645542 /nfs/dbraw/zinc/64/55/42/562645542.db2.gz MTCPOOUEKIOYRD-QPJJXVBHSA-N -1 0 541.573 6.658 1 0 KKAFRM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(C(=O)[O-])c3)ccc2c1 ZINC000043071975 562645578 /nfs/dbraw/zinc/64/55/78/562645578.db2.gz YVOPPIZWLWECBK-UHFFFAOYSA-N -1 0 532.423 8.869 1 0 KKAFRM O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3cc(Br)ccc32)cc1 ZINC000043074958 562645655 /nfs/dbraw/zinc/64/56/55/562645655.db2.gz RGSJBVKHFLVYLN-BQYQJAHWSA-N -1 0 597.465 5.897 1 0 KKAFRM CNc1cccc2oc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc4)cc3)c(C)c21 ZINC000043123614 562646249 /nfs/dbraw/zinc/64/62/49/562646249.db2.gz QAEKGVKCHDBGEN-VWLOTQADSA-N -1 0 535.622 5.090 1 0 KKAFRM Cc1cn(Cc2ccc3ccccc3c2)c2c1cc(F)cc2-c1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)no1 ZINC000043129968 562646294 /nfs/dbraw/zinc/64/62/94/562646294.db2.gz TUPIROYUFGRVEL-UHFFFAOYSA-N -1 0 565.548 7.163 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000043197266 562646796 /nfs/dbraw/zinc/64/67/96/562646796.db2.gz UHZSDVNOWGZQIJ-XMMPIXPASA-N -1 0 543.632 7.985 1 0 KKAFRM CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])cc(Cl)c3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000043200605 562646871 /nfs/dbraw/zinc/64/68/71/562646871.db2.gz ZSWWTEQGMPHIOX-UHFFFAOYSA-N -1 0 561.491 5.738 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4c(F)cccc4F)c3)C2)cc1OC1CCCC1 ZINC000043531845 562649192 /nfs/dbraw/zinc/64/91/92/562649192.db2.gz RHZSDLAEHXVLHH-IBGZPJMESA-N -1 0 542.604 5.616 1 0 KKAFRM O=C1O/C(=C\c2ccc(O)c(Br)c2)C(c2cc(Br)c([O-])c(Br)c2)=C1Cl ZINC000043543971 562649563 /nfs/dbraw/zinc/64/95/63/562649563.db2.gz OKRJRNSNPBGFSG-PQMHYQBVSA-N -1 0 551.412 5.933 1 0 KKAFRM CCC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C(C)(C)[C@H]1O ZINC000043569850 562649896 /nfs/dbraw/zinc/64/98/96/562649896.db2.gz FRAODPXCDXZBAW-VWJJGOHCSA-N -1 0 528.774 7.021 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(N=Nc6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043799715 562650915 /nfs/dbraw/zinc/65/09/15/562650915.db2.gz NJZDHTZXUJKBEC-UAZFIJSJSA-N -1 0 564.830 9.416 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(F)cc6F)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000043834771 562650977 /nfs/dbraw/zinc/65/09/77/562650977.db2.gz JKZUFUIMURWCGI-JWNVNDGFSA-N -1 0 598.815 9.312 1 0 KKAFRM CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](/N=C/c6ccc(F)cc6F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000043845743 562651017 /nfs/dbraw/zinc/65/10/17/562651017.db2.gz AAZVEARSGRIRIW-ORMKYPPTSA-N -1 0 581.832 9.574 1 0 KKAFRM O=C1CCc2cc(Br)c(cc2Br)Oc2cc(cc(Br)c2[O-])CCN1 ZINC000044052761 562651835 /nfs/dbraw/zinc/65/18/35/562651835.db2.gz FZPRZWMNCDTIIJ-UHFFFAOYSA-N -1 0 520.015 5.077 1 0 KKAFRM COc1ccc([C@H]2CC(=O)N(c3cccc([N-]S(=O)(=O)c4c(Br)nn(C)c4Cl)c3)C2)cc1OC1CCCC1 ZINC000044265137 562652756 /nfs/dbraw/zinc/65/27/56/562652756.db2.gz FVHHUNAXXJMXOU-KRWDZBQOSA-N -1 0 623.957 5.487 1 0 KKAFRM CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCC(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000044306749 562653841 /nfs/dbraw/zinc/65/38/41/562653841.db2.gz NGJKWOBRXRFARO-CHVYLGJISA-N -1 0 614.868 5.217 1 0 KKAFRM COc1cccc(-n2cc(C(=O)N3CCN(c4cc5ccccc5c(C(=O)[O-])c4)CC3)nc2-c2ccc(C)cc2)c1 ZINC000044307047 562653895 /nfs/dbraw/zinc/65/38/95/562653895.db2.gz GMFACWQHWZZYKU-UHFFFAOYSA-N -1 0 546.627 5.670 1 0 KKAFRM COC(OC)C1=C(C(=O)OC/C=C/c2ccc(C(F)(F)F)cc2)[C@H](c2cccc(Cl)c2)C(C(=O)[O-])=C(C)N1 ZINC000044307964 562654159 /nfs/dbraw/zinc/65/41/59/562654159.db2.gz HSFUXYJVURRFEY-YAQIIAKESA-N -1 0 551.945 5.534 1 0 KKAFRM O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc(Br)cc(Br)c1 ZINC000044351081 562654432 /nfs/dbraw/zinc/65/44/32/562654432.db2.gz PVPDZWIVSMYAMP-UHFFFAOYSA-N -1 0 528.820 5.695 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(NC(=O)Nc5ccccc5)cc4)CC3)c(F)cc2c1=O ZINC000044351329 562654619 /nfs/dbraw/zinc/65/46/19/562654619.db2.gz QMTIIAXXVYEYPA-UHFFFAOYSA-N -1 0 555.610 5.140 1 0 KKAFRM CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2cc(C(=O)c3ccc(F)cc3)ccc21 ZINC000044351563 562654741 /nfs/dbraw/zinc/65/47/41/562654741.db2.gz SCLNIDPRJOOLIA-UHFFFAOYSA-N -1 0 567.657 7.828 1 0 KKAFRM CC(C)Nc1ccc(-n2c3ccc(Cc4ccc(C(C)(C)C)cc4)cc3c(-c3ccc(OC(C)C)cc3)c2C(=O)[O-])cc1 ZINC000044352113 562655025 /nfs/dbraw/zinc/65/50/25/562655025.db2.gz LEPNSTRNLOWFCF-UHFFFAOYSA-N -1 0 574.765 9.492 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000044352538 562655199 /nfs/dbraw/zinc/65/51/99/562655199.db2.gz LVIRCADOCWBCDI-IGQGKUOGSA-N -1 0 611.908 8.191 1 0 KKAFRM CCCNc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccc(C(F)(F)F)cc3)ccc2o1 ZINC000044359693 562655496 /nfs/dbraw/zinc/65/54/96/562655496.db2.gz DWJXRPYUEKLYQZ-UHFFFAOYSA-N -1 0 585.538 7.501 1 0 KKAFRM Cc1cccc(Cl)c1OCc1noc(C(C)C)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044404626 562656500 /nfs/dbraw/zinc/65/65/00/562656500.db2.gz YXUXKJYEKFJQIU-ZHACJKMWSA-N -1 0 552.454 8.440 1 0 KKAFRM Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)[O-])cn(C)c2c1 ZINC000044404794 562656506 /nfs/dbraw/zinc/65/65/06/562656506.db2.gz VRMXGSVXDWHDBL-UHFFFAOYSA-N -1 0 566.441 7.150 1 0 KKAFRM CC(C)c1onc(C[S@@](=O)c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000044405829 562656738 /nfs/dbraw/zinc/65/67/38/562656738.db2.gz QMDSMBFIKFKGBD-HUANFELJSA-N -1 0 604.939 8.514 1 0 KKAFRM C[C@]1(C(=O)[O-])COc2ccc(CCN(CCCCC3CCCCC3)C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2O1 ZINC000044406528 562656892 /nfs/dbraw/zinc/65/68/92/562656892.db2.gz VSQGNRJKUUSSJA-GDLZYMKVSA-N -1 0 594.696 7.740 1 0 KKAFRM CCn1cc(C(=O)[O-])c(=O)c2cc(Sc3ccccc3)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000044430816 562657670 /nfs/dbraw/zinc/65/76/70/562657670.db2.gz QVFXITLYCVJZCZ-UHFFFAOYSA-N -1 0 541.719 8.173 1 0 KKAFRM CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(CCC(=O)[O-])cc5sc4n3)cc2)no1 ZINC000045317936 562660904 /nfs/dbraw/zinc/66/09/04/562660904.db2.gz VSGYDCXNJDAQFA-UHFFFAOYSA-N -1 0 503.584 6.163 1 0 KKAFRM Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(=O)[O-])cc2)c1 ZINC000045350340 562661697 /nfs/dbraw/zinc/66/16/97/562661697.db2.gz VXWPHQRTNDOPIH-VWLOTQADSA-N -1 0 513.663 6.082 1 0 KKAFRM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C=C3SC(=O)N(CC4(C)CCCCC4)C3=O)cc2)cc1 ZINC000045358771 562662003 /nfs/dbraw/zinc/66/20/03/562662003.db2.gz HDIIETCZJZHIKL-KQWNVCNZSA-N -1 0 512.653 5.697 1 0 KKAFRM CCCc1cc2cc(NC(=O)[C@H](CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000045372565 562662258 /nfs/dbraw/zinc/66/22/58/562662258.db2.gz WRKLSZQCSKSDIC-SSEXGKCCSA-N -1 0 530.668 8.140 1 0 KKAFRM CCCc1nc2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000045373990 562662265 /nfs/dbraw/zinc/66/22/65/562662265.db2.gz JNILOFBNNHPODI-GDLZYMKVSA-N -1 0 531.656 7.283 1 0 KKAFRM Cc1cc(C)cc([C@@H](CC(C)C)NC(=O)c2cc(COc3ccc(F)c(F)c3)ccc2CCC(=O)[O-])c1 ZINC000045373782 562662267 /nfs/dbraw/zinc/66/22/67/562662267.db2.gz AETRTPVWFFIQJU-MUUNZHRXSA-N -1 0 509.593 6.695 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1scc(-c2ccc3ccccc3c2)c1C(=O)OCc1ccccc1 ZINC000045390996 562662564 /nfs/dbraw/zinc/66/25/64/562662564.db2.gz LTAAJRYNIKWAMI-RPWUZVMVSA-N -1 0 513.615 6.755 1 0 KKAFRM CC(C)c1cc2c(cc1NC(=S)Nc1cccc(C(F)(F)F)c1)[C@@]1(C)CCC[C@@](C)(C(=O)[O-])[C@@H]1CC2 ZINC000045506259 562662840 /nfs/dbraw/zinc/66/28/40/562662840.db2.gz ZFASQANKKKTZQZ-XSBVVTFOSA-N -1 0 518.645 7.733 1 0 KKAFRM CCCCOc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F ZINC000049032271 562663375 /nfs/dbraw/zinc/66/33/75/562663375.db2.gz RJMCXJNEZOBVDL-UHFFFAOYSA-N -1 0 507.455 6.458 1 0 KKAFRM COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049033169 562663427 /nfs/dbraw/zinc/66/34/27/562663427.db2.gz IJCBNBDKWAVXDY-UHFFFAOYSA-N -1 0 515.509 6.547 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1Cc1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1Cc1ccccc1 ZINC000049605977 562666438 /nfs/dbraw/zinc/66/64/38/562666438.db2.gz QOIUVXYKSPVXQD-HNRBIFIRSA-N -1 0 725.547 7.363 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620.775 7.801 1 0 KKAFRM Cn1c2cc(C(=O)NC(C)(C)C(=O)Nc3ccc(NC(=O)C(=O)[O-])cc3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071341317 562719915 /nfs/dbraw/zinc/71/99/15/562719915.db2.gz ZFJMMHIACIJHRJ-UHFFFAOYSA-N -1 0 581.673 5.458 1 0 KKAFRM O=C([O-])CCN1c2ncnn2[C@@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071341559 562720023 /nfs/dbraw/zinc/72/00/23/562720023.db2.gz IFIVOQDHVBJTCL-AHWVRZQESA-N -1 0 608.290 6.232 1 0 KKAFRM O=C([O-])CCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000071341560 562720029 /nfs/dbraw/zinc/72/00/29/562720029.db2.gz IFIVOQDHVBJTCL-RSXGOPAZSA-N -1 0 608.290 6.232 1 0 KKAFRM Cc1nc(C(=O)C(C)(C)Oc2ccc(SCCCCCc3ccccc3)cc2)sc1CCCC(=O)[O-] ZINC000071416583 562720196 /nfs/dbraw/zinc/72/01/96/562720196.db2.gz XNWAFRIJYGHGGA-UHFFFAOYSA-N -1 0 525.736 7.404 1 0 KKAFRM CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@](C)(O)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@H]2C1(C)C ZINC000072109306 562721543 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CC1(C)c2c(ccc3ccccc23)[N+](CCCCC(=O)[O-])=C1/C=C/C=C/C=C/C=C1\N(CCCCC(=O)[O-])c2ccc3ccccc3c2C1(C)C ZINC000072118807 562723662 /nfs/dbraw/zinc/72/36/62/562723662.db2.gz SZEFDFWCVAGVMN-UHFFFAOYSA-O -1 0 681.897 10.229 1 0 KKAFRM CC(=O)N1CCC[C@@](NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCCC2)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000072129866 562726525 /nfs/dbraw/zinc/72/65/25/562726525.db2.gz KUYNFXOTODINBC-BZXZHNASSA-N -1 0 647.776 6.135 1 0 KKAFRM O=C([O-])CCCCN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Br)cc1 ZINC000072133982 562727038 /nfs/dbraw/zinc/72/70/38/562727038.db2.gz NPUCCRDDHOGKBR-IAPPQJPRSA-N -1 0 636.344 7.012 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)OCC(=O)[O-])CC[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]2[C@H]1C ZINC000072170843 562730425 /nfs/dbraw/zinc/73/04/25/562730425.db2.gz XUVDJQZPCLMEKX-NWMAJJNISA-N -1 0 514.747 6.633 1 0 KKAFRM O=C([N-]S(=O)(=O)c1ccc(COc2ccccc2)cc1)c1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000072180819 562732594 /nfs/dbraw/zinc/73/25/94/562732594.db2.gz RPAYARIVNJYNQY-UHFFFAOYSA-N -1 0 512.414 6.358 1 0 KKAFRM COc1cccc(-c2ccc(Cn3c4ccc(OCc5ccc(C)cn5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)n1 ZINC000073158452 562733957 /nfs/dbraw/zinc/73/39/57/562733957.db2.gz ZMJTXHLYRCCVEO-UHFFFAOYSA-N -1 0 623.819 8.587 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(C)(C)C)cc1 ZINC000073167014 562734518 /nfs/dbraw/zinc/73/45/18/562734518.db2.gz ASNLEFCYIJEHPP-DEOSSOPVSA-N -1 0 573.133 7.628 1 0 KKAFRM CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(C)ccc2n1-c1cccc(C(F)(F)F)c1 ZINC000073167533 562734626 /nfs/dbraw/zinc/73/46/26/562734626.db2.gz KEJZHFIOPOQFFU-VWLOTQADSA-N -1 0 592.658 7.784 1 0 KKAFRM CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1 ZINC000073168133 562734676 /nfs/dbraw/zinc/73/46/76/562734676.db2.gz FDJJIEIXVPODKX-SANMLTNESA-N -1 0 597.111 7.492 1 0 KKAFRM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N[C@@H](C)C(=O)[O-])c(OC(C)C)c1 ZINC000073198095 562735594 /nfs/dbraw/zinc/73/55/94/562735594.db2.gz PGMZKPXKOXTKBZ-ZCXSQJBPSA-N -1 0 570.473 6.517 1 0 KKAFRM COc1ccc(C(=O)N(CCCc2cccc(OCC(=O)[O-])c2)CCC(c2ccccc2)c2ccccc2)cc1 ZINC000073222494 562736397 /nfs/dbraw/zinc/73/63/97/562736397.db2.gz LNXLQFQNRWWWLC-UHFFFAOYSA-N -1 0 537.656 6.456 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)OC(C)(C)C)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000073313667 562737949 /nfs/dbraw/zinc/73/79/49/562737949.db2.gz SFMMSTLAKPKEMZ-KPURRNSFSA-N -1 0 541.666 5.983 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OC(=O)OC(C)(C)C)CC[C@](C)(COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2 ZINC000073313675 562737967 /nfs/dbraw/zinc/73/79/67/562737967.db2.gz SFMMSTLAKPKEMZ-PZGXJGMVSA-N -1 0 541.666 5.983 1 0 KKAFRM COc1ccc2cc(CCC(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)c3ccc(O)cc3)ccc2c1 ZINC000073314071 562737988 /nfs/dbraw/zinc/73/79/88/562737988.db2.gz DWRYOZQMPVMGPY-WJOKGBTCSA-N -1 0 585.682 6.396 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6cc(F)ccc6n5)cc4c(SC(C)(C)C)c3CC(C)(C)C(=O)[O-])cc2)cn1 ZINC000082139924 562739285 /nfs/dbraw/zinc/73/92/85/562739285.db2.gz ZCLRNMGXXISXBG-UHFFFAOYSA-N -1 0 677.842 9.570 1 0 KKAFRM O=C([O-])Cc1ccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2nc(CCOCc3ccccc3)cs2)cc1 ZINC000082158121 562741066 /nfs/dbraw/zinc/74/10/66/562741066.db2.gz QCJBILYMMQGBOL-UHFFFAOYSA-N -1 0 545.665 6.017 1 0 KKAFRM C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCC(=O)[O-] ZINC000082158454 562741169 /nfs/dbraw/zinc/74/11/69/562741169.db2.gz GQYPOZRVIOKSEJ-WIQRZITFSA-N -1 0 668.824 5.659 1 0 KKAFRM CC(C)[C@@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C ZINC000082186166 562742389 /nfs/dbraw/zinc/74/23/89/562742389.db2.gz NBEXCWSOFZSABN-UFTIBIJLSA-N -1 0 631.690 5.208 1 0 KKAFRM S=C([N-]c1ccccc1S[C@H](C=CNN=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)N1)c1ccccc1)Nc1ccccc1 ZINC000082190160 562742536 /nfs/dbraw/zinc/74/25/36/562742536.db2.gz ZJUYMFOFJRHRBN-XRNDSWLZSA-N -1 0 639.854 8.042 1 0 KKAFRM CC(C)c1onc(-c2ccccc2)c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000084596365 562743660 /nfs/dbraw/zinc/74/36/60/562743660.db2.gz NQUBIRMOZPAHAR-UHFFFAOYSA-N -1 0 581.068 8.243 1 0 KKAFRM COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000084603371 562744147 /nfs/dbraw/zinc/74/41/47/562744147.db2.gz DYFKISZGOAGEJW-TYBKAHOSSA-N -1 0 562.040 5.198 1 0 KKAFRM O=C([O-])[C@H](Cc1cccc(OCCCCNc2ccccn2)c1)NC(=O)c1c(Cl)cccc1Cl ZINC000084655464 562747515 /nfs/dbraw/zinc/74/75/15/562747515.db2.gz ZAMWQLRLHFTKPL-NRFANRHFSA-N -1 0 502.398 5.085 1 0 KKAFRM CC(C)[C@H](NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Oc3ccccc3)cc2)no1)C(=O)[O-] ZINC000084704588 562749835 /nfs/dbraw/zinc/74/98/35/562749835.db2.gz SCXJCMIMGBUBFH-VWLOTQADSA-N -1 0 548.983 6.270 1 0 KKAFRM COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c2cccc(OCCN3CCOCC3)c2)cc1OC ZINC000084707419 562750105 /nfs/dbraw/zinc/75/01/05/562750105.db2.gz TVGYPBVOGSTTOF-IOWSJCHKSA-N -1 0 737.699 5.888 1 0 KKAFRM O=C([O-])c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4cc(Cl)ccc4o3)c2)n1 ZINC000084709269 562750295 /nfs/dbraw/zinc/75/02/95/562750295.db2.gz GITXCHGAXFCMKG-CNIPWFDFSA-N -1 0 570.092 5.546 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](CCCCc1ccccc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084711130 562750625 /nfs/dbraw/zinc/75/06/25/562750625.db2.gz HKPPZDJYTWTWDJ-HHHXNRCGSA-N -1 0 585.713 9.156 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(CC(=O)[O-])C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084713768 562750935 /nfs/dbraw/zinc/75/09/35/562750935.db2.gz XQJWTIYBPRONIV-YIXXDRMTSA-N -1 0 525.001 5.022 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@@H](Cc1ccc(F)cc1F)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724821 562751201 /nfs/dbraw/zinc/75/12/01/562751201.db2.gz UDYJBTDOLSXTBP-XMMPIXPASA-N -1 0 579.612 8.263 1 0 KKAFRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1[C@H](Cc1ccc(-c2ccccc2)cc1)Sc1ccc(OCC(=O)[O-])c(C)c1 ZINC000084724851 562751221 /nfs/dbraw/zinc/75/12/21/562751221.db2.gz CRHWCJFQSNFQMK-PMERELPUSA-N -1 0 619.730 9.652 1 0 KKAFRM COc1ccc(F)c(-c2ccc(C(=O)N(Cc3cccc(OCCCCCC(=O)[O-])c3)C(C)C)cc2)c1 ZINC000084759354 562752900 /nfs/dbraw/zinc/75/29/00/562752900.db2.gz JIQSPOQDKIGHPO-UHFFFAOYSA-N -1 0 507.602 6.576 1 0 KKAFRM CC(=O)OC[C@@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C[C@@H]1OC(C)=O ZINC000095535716 562753781 /nfs/dbraw/zinc/75/37/81/562753781.db2.gz NJMVODKHGFCBMG-SHXRZKMESA-N -1 0 718.925 5.170 1 0 KKAFRM O=C([O-])/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(C(=O)c3ccc5c(c3)nc(-c3ccoc3)n5C3CCCC3)n4C3CCCCC3)CCC2)cc1 ZINC000095535738 562753798 /nfs/dbraw/zinc/75/37/98/562753798.db2.gz UKINVGRMMLILAH-DEDYPNTBSA-N -1 0 764.883 8.886 1 0 KKAFRM COc1ccc(NC(=O)COc2cc(=O)c3c([O-])c(O)c(-c4ccc5c(c4)O[C@H](c4ccc(OCC(=O)Nc6ccc(OC)cc6)c(OC)c4)[C@@H](CO)O5)oc-3c2)cc1 ZINC000095536772 562754138 /nfs/dbraw/zinc/75/41/38/562754138.db2.gz KISBLJIONNDZHV-CBZWEFONSA-N -1 0 806.777 5.805 1 0 KKAFRM COc1cc([C@H]2Oc3cc(-c4oc5cc(OCC(=O)Nc6ccc(Cl)cc6)cc(=O)c-5c([O-])c4O)ccc3O[C@@H]2CO)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000095536766 562754143 /nfs/dbraw/zinc/75/41/43/562754143.db2.gz VVMJPLHVXLEJDP-QLKHQFKLSA-N -1 0 815.615 7.095 1 0 KKAFRM CCC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)[O-] ZINC000095537982 562754468 /nfs/dbraw/zinc/75/44/68/562754468.db2.gz YKDZJDSNOBOEEI-LAYWZVSPSA-N -1 0 770.924 5.743 1 0 KKAFRM O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCO[P@](=O)([O-])Oc1cccc(Cl)c1 ZINC000095539808 562755290 /nfs/dbraw/zinc/75/52/90/562755290.db2.gz PCYILPBKGAQCNT-UHFFFAOYSA-N -1 0 726.682 10.359 1 0 KKAFRM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095539838 562755309 /nfs/dbraw/zinc/75/53/09/562755309.db2.gz BOIIFJMSIMAJLB-KKLWWLSJSA-N -1 0 775.324 8.461 1 0 KKAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)[O-])Cc2cccc3ccccc32)C(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095540371 562755695 /nfs/dbraw/zinc/75/56/95/562755695.db2.gz PIZSATPBKFNYRR-ORBKSGFDSA-N -1 0 820.782 5.525 1 0 KKAFRM CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)[O-])Cc2cccc3ccccc32)C(C)C)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095540372 562755696 /nfs/dbraw/zinc/75/56/96/562755696.db2.gz PIZSATPBKFNYRR-SNUHCZPXSA-N -1 0 820.782 5.525 1 0 KKAFRM O=C([O-])[C@H](CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)NC(=O)c1ccc2ccccc2n1 ZINC000095542103 562756513 /nfs/dbraw/zinc/75/65/13/562756513.db2.gz OENMYYFUHBEBHD-SKZPZPHBSA-N -1 0 765.789 6.082 1 0 KKAFRM O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1 ZINC000095542831 562756878 /nfs/dbraw/zinc/75/68/78/562756878.db2.gz UZHVMBNHTNMCEZ-VWLOTQADSA-N -1 0 771.080 5.264 1 0 KKAFRM O=C([O-])c1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000095542997 562757003 /nfs/dbraw/zinc/75/70/03/562757003.db2.gz ONPHRKDEKQCHFZ-UHFFFAOYSA-N -1 0 761.749 7.963 1 0 KKAFRM O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCO[P@@](=O)([O-])Oc1ccccc1Cl ZINC000095544050 562757579 /nfs/dbraw/zinc/75/75/79/562757579.db2.gz GEEJZLGSINTQLI-PGUFJCEWSA-N -1 0 769.276 7.988 1 0 KKAFRM O=C([O-])C[C@@H](NC(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1ccc(F)cc1)C(=O)COP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000095548272 562759184 /nfs/dbraw/zinc/75/91/84/562759184.db2.gz QMCNMWXLHAORSY-SSEXGKCCSA-N -1 0 758.652 5.609 1 0 KKAFRM O=C([O-])c1ccc(OCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)C[S@](=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000095550353 562760133 /nfs/dbraw/zinc/76/01/33/562760133.db2.gz HRNRXKOBBCDPPF-NLXJDERGSA-N -1 0 796.194 8.786 1 0 KKAFRM CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]21C)CC[C@H](OC(=O)NCC[N-]S(=O)(=O)C(F)(F)F)C4(C)C ZINC000095564369 562764315 /nfs/dbraw/zinc/76/43/15/562764315.db2.gz NYPRUXXEEFXYCE-ZDAXKCGKSA-N -1 0 775.972 6.201 1 0 KKAFRM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095567149 562765549 /nfs/dbraw/zinc/76/55/49/562765549.db2.gz OQAIXMVZSOTSGY-VUYBWUDLSA-N -1 0 720.893 5.334 1 0 KKAFRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095570229 562768018 /nfs/dbraw/zinc/76/80/18/562768018.db2.gz KOGXUCMRWOSHRU-JFTQGMRCSA-N -1 0 753.841 6.070 1 0 KKAFRM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc6c(cc(C(=O)[O-])n6C)c5)CCC4)cc3n2C)cn1 ZINC000095571658 562769167 /nfs/dbraw/zinc/76/91/67/562769167.db2.gz YGPCIMQJBCZLRS-UHFFFAOYSA-N -1 0 603.723 6.687 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)c(F)cc2c1=O ZINC000095572083 562769291 /nfs/dbraw/zinc/76/92/91/562769291.db2.gz QYLMPCKNIBCEBJ-UHFFFAOYSA-N -1 0 527.596 5.075 1 0 KKAFRM Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@@](C)(COCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095574085 562769894 /nfs/dbraw/zinc/76/98/94/562769894.db2.gz PVYONNKWQLSIMS-UDKTZTBJSA-N -1 0 504.752 7.834 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccc6ncccc6c4)c5C4CCCC4)CCC3)ccc21 ZINC000095574446 562769950 /nfs/dbraw/zinc/76/99/50/562769950.db2.gz IFOZMJDDIXKJLW-UHFFFAOYSA-N -1 0 639.756 7.532 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCC3)ccc2c(C2CCCC2)c1-c1cnccn1 ZINC000095574601 562770027 /nfs/dbraw/zinc/77/00/27/562770027.db2.gz LWERINWIBMHFKY-XNTDXEJSSA-N -1 0 577.685 6.072 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(F)cn3)c4C3CCCC3)ccc21 ZINC000095575039 562770196 /nfs/dbraw/zinc/77/01/96/562770196.db2.gz BGWVHEJCVKGSJM-UHFFFAOYSA-N -1 0 595.675 6.374 1 0 KKAFRM CCCOc1ccc(C[C@H](CC2CCCCC2)C(=O)[O-])cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000095575614 562770390 /nfs/dbraw/zinc/77/03/90/562770390.db2.gz PNLONEWDPBDYQU-KHXABJNDSA-N -1 0 571.802 8.087 1 0 KKAFRM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C(\C)C(=O)[O-])cc5)CCC4)cc3n2C)nc1 ZINC000095576931 562770791 /nfs/dbraw/zinc/77/07/91/562770791.db2.gz REXJCGJMIWSFAJ-ZBJSNUHESA-N -1 0 606.723 6.686 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000095577431 562770921 /nfs/dbraw/zinc/77/09/21/562770921.db2.gz JBSNALXXNTWUEC-SFQUDFHCSA-N -1 0 562.670 6.287 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3ccoc3)c4C3CCCC3)ccc21 ZINC000095577492 562770975 /nfs/dbraw/zinc/77/09/75/562770975.db2.gz BROUZKPCSLXNAD-UHFFFAOYSA-N -1 0 566.658 6.433 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccc(C(F)(F)F)cn4)c5C4CCCC4)CCC3)ccc21 ZINC000095577574 562771020 /nfs/dbraw/zinc/77/10/20/562771020.db2.gz GJARLUFJMFKATM-UHFFFAOYSA-N -1 0 657.693 7.398 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCC3)ccc2c(C2CCCC2)c1-c1ncccn1 ZINC000095578228 562771194 /nfs/dbraw/zinc/77/11/94/562771194.db2.gz RZOMHZZGQLCEBR-XNTDXEJSSA-N -1 0 563.658 5.682 1 0 KKAFRM CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(cc(C(=O)[O-])n5C)c4)cc3n2C)cs1 ZINC000095578541 562771302 /nfs/dbraw/zinc/77/13/02/562771302.db2.gz IMGAGPNJUKRBGH-UHFFFAOYSA-N -1 0 612.756 6.338 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000095578870 562771405 /nfs/dbraw/zinc/77/14/05/562771405.db2.gz LHVGXRIIQBVWQU-JHOVWCEZSA-N -1 0 680.742 5.695 1 0 KKAFRM Cn1c(C(=O)[O-])cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(c3)n(C)c(-c3cccc5cccnc53)c4C3CCCC3)ccc21 ZINC000095579665 562771597 /nfs/dbraw/zinc/77/15/97/562771597.db2.gz CKXPHHMSDDZCGY-UHFFFAOYSA-N -1 0 627.745 7.388 1 0 KKAFRM CCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Oc1cncc(Cl)c1 ZINC000095591215 562775530 /nfs/dbraw/zinc/77/55/30/562775530.db2.gz HKPZGTVJXKCQLL-UHFFFAOYSA-N -1 0 534.343 5.750 1 0 KKAFRM CC(C)(C)n1nc(Cc2ccc(Cl)cc2)cc1Oc1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000095581085 562772064 /nfs/dbraw/zinc/77/20/64/562772064.db2.gz TZRVCAHDLWMLOQ-UHFFFAOYSA-N -1 0 521.039 6.071 1 0 KKAFRM Nc1n[nH]cc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)[N-]c2cscn2)cc1Cl ZINC000095582960 562772795 /nfs/dbraw/zinc/77/27/95/562772795.db2.gz QCDLGAPJZJODRJ-UHFFFAOYSA-N -1 0 533.916 5.520 1 0 KKAFRM Nc1cccc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2F)n1 ZINC000095583486 562772920 /nfs/dbraw/zinc/77/29/20/562772920.db2.gz KGVRXHWHNAYBSU-UHFFFAOYSA-N -1 0 529.472 5.072 1 0 KKAFRM Cc1nsc([N-]S(=O)(=O)c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3-c3ccnnc3)cc2F)n1 ZINC000095583654 562772962 /nfs/dbraw/zinc/77/29/62/562772962.db2.gz AGLQNDCJLFYDBR-UHFFFAOYSA-N -1 0 545.927 5.708 1 0 KKAFRM CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3nccs3)cc2F)cc1 ZINC000095583866 562773065 /nfs/dbraw/zinc/77/30/65/562773065.db2.gz JVKGCWMDJTUQIT-UHFFFAOYSA-N -1 0 512.510 5.778 1 0 KKAFRM Cc1nn(Cc2ccccc2)cc1-c1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ncns2)cc1F ZINC000095584279 562773182 /nfs/dbraw/zinc/77/31/82/562773182.db2.gz PRGFNXCYDIOGFQ-UHFFFAOYSA-N -1 0 521.599 5.491 1 0 KKAFRM COCCn1ccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3nncs3)cc2Cl)n1 ZINC000095584676 562773319 /nfs/dbraw/zinc/77/33/19/562773319.db2.gz ZSCCCKIINCZZLD-UHFFFAOYSA-N -1 0 544.417 5.087 1 0 KKAFRM O=S(=O)([N-]c1cscn1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2cccc(CO)c2)cc1F ZINC000095585236 562773540 /nfs/dbraw/zinc/77/35/40/562773540.db2.gz BDTWTOMPWFJONR-UHFFFAOYSA-N -1 0 558.962 6.707 1 0 KKAFRM Cn1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3cscn3)cc2F)cn1 ZINC000095585557 562773674 /nfs/dbraw/zinc/77/36/74/562773674.db2.gz IECKMSLNVWLNBC-UHFFFAOYSA-N -1 0 532.472 5.314 1 0 KKAFRM Cc1c2cc(-c3ccccc3)ccc2oc1C(=O)Nc1ccc(N2CC[C@H](COc3cccc(C(=O)[O-])c3)C2)nc1 ZINC000095590742 562775374 /nfs/dbraw/zinc/77/53/74/562775374.db2.gz SHQJSZLUAVTKKF-QFIPXVFZSA-N -1 0 547.611 6.659 1 0 KKAFRM COC(=O)c1c(C)c(Br)c(Oc2c(Br)c(C)c(Br)c([O-])c2Br)c(Br)c1O ZINC000095591259 562775586 /nfs/dbraw/zinc/77/55/86/562775586.db2.gz PEXFIMIKFFUEMF-UHFFFAOYSA-N -1 0 682.779 7.106 1 0 KKAFRM COc1ccc(C(=O)n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)[O-])c3)c3cc(OC(F)F)ccc32)cc1 ZINC000095592641 562776020 /nfs/dbraw/zinc/77/60/20/562776020.db2.gz VQTYZRLMUGNHGV-KRWDZBQOSA-N -1 0 509.505 5.691 1 0 KKAFRM C[C@@H]1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(COc5cccc(C(=O)[O-])c5)CC4)nc3)o2)C1 ZINC000095592856 562776036 /nfs/dbraw/zinc/77/60/36/562776036.db2.gz UGBQERWGDVPIIU-GOSISDBHSA-N -1 0 587.599 5.571 1 0 KKAFRM CCCCn1c(-c2cccc(Cl)c2)nn(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c1=S ZINC000095595949 562776870 /nfs/dbraw/zinc/77/68/70/562776870.db2.gz UNZQBWHJBFVFHV-UHFFFAOYSA-N -1 0 611.143 5.801 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095600799 562779190 /nfs/dbraw/zinc/77/91/90/562779190.db2.gz HXECTXYQHLRECE-GMERYBDXSA-N -1 0 719.898 5.051 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccccc1Cl ZINC000095605998 562781792 /nfs/dbraw/zinc/78/17/92/562781792.db2.gz UHQFHMXZHFUUBN-IMAOXBOFSA-N -1 0 768.600 7.486 1 0 KKAFRM O=C([O-])c1ccc(CCCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)c2ccccc2Br)cc1 ZINC000095608103 562783365 /nfs/dbraw/zinc/78/33/65/562783365.db2.gz LSHSJTLNEQESHX-UHFFFAOYSA-N -1 0 742.135 9.089 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSc1ccccc1OC(F)(F)F)C[P@@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000095610764 562784567 /nfs/dbraw/zinc/78/45/67/562784567.db2.gz NRVATKFKFLOMDK-VBQVRTRESA-N -1 0 782.778 6.753 1 0 KKAFRM NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSc1ccccc1Br)C[P@@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000095610955 562784715 /nfs/dbraw/zinc/78/47/15/562784715.db2.gz ONKQNWHNBOMBCR-URBDOXFBSA-N -1 0 777.678 6.617 1 0 KKAFRM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)[O-])C(=O)NCCc1ccc(Cl)cc1 ZINC000095611119 562784829 /nfs/dbraw/zinc/78/48/29/562784829.db2.gz SFUXNXUEZBUUAE-GVBYMILNSA-N -1 0 754.284 5.456 1 0 KKAFRM O=C([O-])[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)c1cccnc1Cl ZINC000095612045 562785231 /nfs/dbraw/zinc/78/52/31/562785231.db2.gz SAPKKUZJCSCHBQ-SFHVURJKSA-N -1 0 742.657 6.194 1 0 KKAFRM O=C([O-])CCc1ccc(S(=O)(=O)CCc2c3cc(Cl)ccc3n(C(c3ccccc3)c3ccccc3)c2CCNS(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000095616010 562787731 /nfs/dbraw/zinc/78/77/31/562787731.db2.gz BFLXSVTUVFJZMF-UHFFFAOYSA-N -1 0 789.803 8.282 1 0 KKAFRM O=C([O-])[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1csc(-c2cccs2)n1 ZINC000095616119 562787784 /nfs/dbraw/zinc/78/77/84/562787784.db2.gz XITGZYKWTXFKRD-ZPGRZCPFSA-N -1 0 794.959 6.178 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(-c1ccc(OC(C)C)cc1)c2=O ZINC000096169990 562791009 /nfs/dbraw/zinc/79/10/09/562791009.db2.gz SUJFFJOWPIOKDE-UHFFFAOYSA-N -1 0 598.656 5.761 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1Br)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169994 562791011 /nfs/dbraw/zinc/79/10/11/562791011.db2.gz DFXBODZLWLUTHJ-UHFFFAOYSA-N -1 0 673.545 5.912 1 0 KKAFRM CCc1cc2c(s1)n(Cc1c(F)cc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(CC(=O)c1ccc(OC)cc1)c2=O ZINC000096169995 562791031 /nfs/dbraw/zinc/79/10/31/562791031.db2.gz AMDWDZCCHMYHJH-UHFFFAOYSA-N -1 0 630.629 5.428 1 0 KKAFRM Cc1cc(-n2cc(C(F)(F)F)cn2)ccc1[C@@H](Nc1ccc(C(=O)NCCC(=O)[O-])cn1)C1CCCCC1 ZINC000096170501 562791157 /nfs/dbraw/zinc/79/11/57/562791157.db2.gz JJPWRRLNNWIOGE-VWLOTQADSA-N -1 0 529.563 5.533 1 0 KKAFRM CCC[C@@H](Oc1cc(F)c(-n2cc(C(F)(F)F)cn2)c(F)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000096170583 562791188 /nfs/dbraw/zinc/79/11/88/562791188.db2.gz HCKMWNXUSMZSQY-HXUWFJFHSA-N -1 0 511.447 5.294 1 0 KKAFRM COc1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(=O)[O-])cc1 ZINC000096171990 562791200 /nfs/dbraw/zinc/79/12/00/562791200.db2.gz OYFWOZXHJLXIPG-SHZFHUAASA-N -1 0 626.835 5.390 1 0 KKAFRM COc1cccc(-c2ccc3c(ccc(OC)c3-c3cccc(S(=O)(=O)[N-]c4nccs4)c3)c2)c1 ZINC000096174247 562791829 /nfs/dbraw/zinc/79/18/29/562791829.db2.gz OQPUWTISHAWZLK-UHFFFAOYSA-N -1 0 502.617 6.448 1 0 KKAFRM CCCCc1ncc(/C=C(/C(=O)[O-])[C@@H](Cc2ccccc2)c2cccs2)n1Cc1ccccc1Cl ZINC000096178632 562792734 /nfs/dbraw/zinc/79/27/34/562792734.db2.gz VBORJKBYUGUCOY-HWEDYNCSSA-N -1 0 505.083 7.483 1 0 KKAFRM COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(C[C@H]3C(=O)[O-])CC4)cc2[C@@H]2CCCC2(C)C)c1 ZINC000096270320 562793217 /nfs/dbraw/zinc/79/32/17/562793217.db2.gz XPLWBHWPOUEOSJ-GSZYCOFVSA-N -1 0 514.637 7.663 1 0 KKAFRM C[C@]1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)[O-])CC(CCc2ccccc2)=NO1 ZINC000096271083 562793650 /nfs/dbraw/zinc/79/36/50/562793650.db2.gz WJPASWZVFKGVAF-PWUYWRBVSA-N -1 0 568.457 5.525 1 0 KKAFRM C/C(=C\Cn1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)[O-])cc21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272093 562793968 /nfs/dbraw/zinc/79/39/68/562793968.db2.gz VXRDMDBFZQPZFB-VOVWAAOFSA-N -1 0 552.243 11.021 1 0 KKAFRM CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc(C(C)(C)CC(=O)[O-])c(-c2ccccc2)s1 ZINC000096272815 562794280 /nfs/dbraw/zinc/79/42/80/562794280.db2.gz LGUMZZDDXJXMMC-UHFFFAOYSA-N -1 0 501.652 7.791 1 0 KKAFRM CCN(CC)c1ncc(N(CC)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1 ZINC000096273513 562794550 /nfs/dbraw/zinc/79/45/50/562794550.db2.gz CVZZJEQYHMVDOP-DEOSSOPVSA-N -1 0 564.662 5.322 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096283775 562794953 /nfs/dbraw/zinc/79/49/53/562794953.db2.gz PXQFOMCFQUXMBP-HSZRJFAPSA-N -1 0 534.399 6.044 1 0 KKAFRM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000096283766 562794975 /nfs/dbraw/zinc/79/49/75/562794975.db2.gz PVSYJLKAUCTDNY-QHCPKHFHSA-N -1 0 517.944 5.530 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc3ccccc3c2)cc1 ZINC000096284655 562795246 /nfs/dbraw/zinc/79/52/46/562795246.db2.gz SBELTDJLMCVOBE-UHFFFAOYSA-N -1 0 676.835 8.024 1 0 KKAFRM COC(=O)c1ccccc1CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)[O-])c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000096284697 562795270 /nfs/dbraw/zinc/79/52/70/562795270.db2.gz WEGVIYMOYLQIFP-UHFFFAOYSA-N -1 0 760.734 7.045 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)[O-])c(O)c2)Cc2cccnc2)cc1 ZINC000096284675 562795284 /nfs/dbraw/zinc/79/52/84/562795284.db2.gz OLYMOALKYKFGCM-UHFFFAOYSA-N -1 0 627.763 6.266 1 0 KKAFRM CC(=C\c1nc([C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)C2CCCCC2)sc1-c1ccccc1)/C=C(/C)C(=O)[O-] ZINC000096285476 562795736 /nfs/dbraw/zinc/79/57/36/562795736.db2.gz YHJDEPYAHBAHLB-NQJOXQDMSA-N -1 0 620.815 8.804 1 0 KKAFRM O=C([O-])c1ccc(NC(=O)c2nc([C@H](Cc3ccc(OCc4ccccc4)cc3)NC(=O)CCc3c[nH]c4ccccc34)sc2-c2ccccc2)cc1 ZINC000096285494 562795769 /nfs/dbraw/zinc/79/57/69/562795769.db2.gz LEVFONUAEPZCGD-QNGWXLTQSA-N -1 0 720.851 8.854 1 0 KKAFRM COc1cccc([C@H]2O[C@H](CC(=O)[O-])c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1OC(F)(F)F ZINC000096285783 562795895 /nfs/dbraw/zinc/79/58/95/562795895.db2.gz ZUOLEQTWIZYWAH-GDBMZVCRSA-N -1 0 537.800 5.482 1 0 KKAFRM CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5c6cc(Cl)ccc6[nH]c5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000096900238 562796763 /nfs/dbraw/zinc/79/67/63/562796763.db2.gz KPYGWOCUZXJBTA-QEIDBPMISA-N -1 0 675.398 10.252 1 0 KKAFRM 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CCCC1(CCc2ccccc2)OC(=O)C([C@@H](CC)c2cccc([N-]S(=O)(=O)c3ccccn3)c2)C(=O)O1 ZINC000100032244 562806182 /nfs/dbraw/zinc/80/61/82/562806182.db2.gz XBRRPGJDAAOTLK-OUTSHDOLSA-N -1 0 536.650 5.848 1 0 KKAFRM O=c1cc(C(CC2CC2)CC2CC2)oc([O-])c1[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100831384 562808164 /nfs/dbraw/zinc/80/81/64/562808164.db2.gz KKGVSJKUAVTHHA-MUUNZHRXSA-N -1 0 537.653 6.511 1 0 KKAFRM C[C@@](CCC(=O)[O-])(c1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000100877740 562808383 /nfs/dbraw/zinc/80/83/83/562808383.db2.gz KRVJIDVCAXKLAZ-DHUJRADRSA-N -1 0 574.702 8.173 1 0 KKAFRM O=C([O-])[C@@H](Oc1ccccc1Cl)[C@@]1(c2ccccc2)NCC(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000101004596 562808659 /nfs/dbraw/zinc/80/86/59/562808659.db2.gz IVWIQIFWYAYEJU-DGPALRBDSA-N -1 0 581.883 6.559 1 0 KKAFRM CN1C(=O)[C@@H](Nc2ccc(Cl)c(Cl)c2)c2c1cccc2OCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000101302385 562810295 /nfs/dbraw/zinc/81/02/95/562810295.db2.gz YXYJGVGIQZAOCM-IBGZPJMESA-N -1 0 595.313 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/nfs/dbraw/zinc/84/39/12/562843912.db2.gz AFXSLZWGBUPQNU-WUBQMYJQSA-N -1 0 728.355 5.319 1 0 KKAFRM COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C/CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]2C1 ZINC000150563628 562844950 /nfs/dbraw/zinc/84/49/50/562844950.db2.gz KUISYVOJHCWQEG-UDMWLHIXSA-N -1 0 684.790 5.652 1 0 KKAFRM O=S(=O)([N-]S(=O)(=O)N1CCc2c(Br)cc(Br)c(Br)c2C1)N1CCc2c(Br)cc(Br)c(Br)c2C1 ZINC000150593900 562846445 /nfs/dbraw/zinc/84/64/45/562846445.db2.gz BIBRBLGCKHCNOH-UHFFFAOYSA-N -1 0 880.893 5.757 1 0 KKAFRM CC(C)(C)NC(=O)Nc1nc(Cl)c(CCc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597099 562846776 /nfs/dbraw/zinc/84/67/76/562846776.db2.gz PFWRPAQOTTVGPB-UHFFFAOYSA-N -1 0 733.169 5.378 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598398 562846821 /nfs/dbraw/zinc/84/68/21/562846821.db2.gz KOESFBTYPLWGFO-WOGQQFDQSA-N -1 0 682.843 5.118 1 0 KKAFRM COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598412 562846841 /nfs/dbraw/zinc/84/68/41/562846841.db2.gz DZGPNEUZETUOMQ-XLNFBEDTSA-N -1 0 700.833 5.257 1 0 KKAFRM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)N(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000150598410 562846847 /nfs/dbraw/zinc/84/68/47/562846847.db2.gz DZGPNEUZETUOMQ-WOGQQFDQSA-N -1 0 700.833 5.257 1 0 KKAFRM C=Cc1cc([C@H](NC(=O)OC2CCCC2)C(=O)Nc2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599989 562847082 /nfs/dbraw/zinc/84/70/82/562847082.db2.gz LJZZAIIFWGACHA-BHVANESWSA-N -1 0 815.827 8.074 1 0 KKAFRM CC(=O)Oc1ccc(/C=C/C(=O)Nc2cccc3c2cccc3S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1OC(C)=O ZINC000150607869 562848133 /nfs/dbraw/zinc/84/81/33/562848133.db2.gz XXDNPQLKAATEDX-MHWRWJLKSA-N -1 0 676.647 5.437 1 0 KKAFRM CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)O[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C)C(=O)[O-] ZINC000150622182 562848890 /nfs/dbraw/zinc/84/88/90/562848890.db2.gz UUWFTJGLQJXXED-RSQGKITMSA-N -1 0 847.382 6.743 1 0 KKAFRM COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000161742661 562849217 /nfs/dbraw/zinc/84/92/17/562849217.db2.gz LYPMUUHUNIGEOB-OTVJIGPHSA-N -1 0 784.401 5.989 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000163468556 562849378 /nfs/dbraw/zinc/84/93/78/562849378.db2.gz WUELXAQTQNALRU-LFIBNONCSA-N -1 0 641.168 7.339 1 0 KKAFRM CS(=O)(=O)[N-]C(=O)c1ccc([C@@H]2C[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1 ZINC000163876374 562849424 /nfs/dbraw/zinc/84/94/24/562849424.db2.gz RQKFFSAFDLENHQ-VXKWHMMOSA-N -1 0 631.965 7.719 1 0 KKAFRM COc1ccc2c(OCC[C@@H]3NC(=O)N(C)CCCC/C=C\[C@@H]4C[C@@]4(C(=O)[N-]S(=O)(=O)C4(F)CC4)NC3=O)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000164928187 562849804 /nfs/dbraw/zinc/84/98/04/562849804.db2.gz UZBCCLNIFWTJEZ-VKYJWCDFSA-N -1 0 777.341 5.443 1 0 KKAFRM Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(-c3ccc(-c4cccc(C(N)=O)c4)cc3)cc2)c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000165747866 562850303 /nfs/dbraw/zinc/85/03/03/562850303.db2.gz UUJFOWYCMYYRSD-UHFFFAOYSA-N -1 0 663.752 5.686 1 0 KKAFRM CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(CC(=O)c1ccc(OC)c(F)c1)c2=O ZINC000166915411 562850518 /nfs/dbraw/zinc/85/05/18/562850518.db2.gz QWAMDJNEPSCJPV-UHFFFAOYSA-N -1 0 630.629 5.015 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nc2cc(C=Cc3ccccc3)ccc2[nH]1 ZINC000168996193 562851590 /nfs/dbraw/zinc/85/15/90/562851590.db2.gz QIJPKHCBKMSLCO-ZGPJEIQWSA-N -1 0 517.585 5.738 1 0 KKAFRM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2ccc3c2cccc3-c2ccc(C(F)(F)F)cc2)c1 ZINC000169307540 562853829 /nfs/dbraw/zinc/85/38/29/562853829.db2.gz OBNQLONEQWXJHL-UHFFFAOYSA-N -1 0 566.557 6.829 1 0 KKAFRM CC[C@@H](CN(c1ccccc1F)S(C)(=O)=O)N1C(=O)[C@@H](CC(=O)[O-])O[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169307583 562853866 /nfs/dbraw/zinc/85/38/66/562853866.db2.gz TVELMQBTPDLJJH-MNJVUJALSA-N -1 0 623.530 5.862 1 0 KKAFRM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4nnnn4C4CCCCC4)c4ccncc4)CC3)c(F)cc2c1=O ZINC000169308621 562854171 /nfs/dbraw/zinc/85/41/71/562854171.db2.gz APQZEYZRIOPGST-HKBQPEDESA-N -1 0 690.702 5.704 1 0 KKAFRM CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2cccc(C(=O)[O-])n2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000169309637 562854364 /nfs/dbraw/zinc/85/43/64/562854364.db2.gz KXFYXOPMGHFDFT-XOEHLWFXSA-N -1 0 657.660 7.385 1 0 KKAFRM C[C@@H](Cc1ccc(C(=O)NCCC(=O)[O-])cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169310586 562854855 /nfs/dbraw/zinc/85/48/55/562854855.db2.gz IYEJXDBLROXAKV-HGMGAMSLSA-N -1 0 586.560 6.393 1 0 KKAFRM CCC(=O)O[C@H]1[C@H](/C=C/[C@H]2[C@H](C)[C@@H]2/C=C/[C@@H](C)/C=C(\C)[C@H]2CC=C(C)[C@@H](CC)O2)O[C@H](CC(=O)[O-])C[C@@H]1OC(=O)CC ZINC000169315013 562855753 /nfs/dbraw/zinc/85/57/53/562855753.db2.gz QAPNIFHTGHMKQF-VBKUXORMSA-N -1 0 586.766 6.353 1 0 KKAFRM O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)c1cc(I)cc(I)c1[O-] ZINC000169328441 562858367 /nfs/dbraw/zinc/85/83/67/562858367.db2.gz ZGJYSGRERINDDW-UHFFFAOYSA-N -1 0 591.570 6.299 1 0 KKAFRM Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])c(CCC(=O)OCc3ccc(Cl)cc3)c2)cc1 ZINC000169329519 562858549 /nfs/dbraw/zinc/85/85/49/562858549.db2.gz ZBYVIEFVMHFOCL-UHFFFAOYSA-N -1 0 644.124 6.921 1 0 KKAFRM CNC(=O)c1cc2c(cc1C(=O)NC[C@H]([N-]S(=O)(=O)c1c(Cl)sc(Cl)c1Br)C(=O)OC(C)(C)C)CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000169330007 562858602 /nfs/dbraw/zinc/85/86/02/562858602.db2.gz CYSWDCPZOPRRBM-DEOSSOPVSA-N -1 0 895.723 5.865 1 0 KKAFRM C[S@@](=O)CCCN1CC=C(CC[C@H]2/C(=C/OS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)C1=O ZINC000169331037 562858900 /nfs/dbraw/zinc/85/89/00/562858900.db2.gz KXYYYKVSWCQXRS-MRBPFYLWSA-N -1 0 569.830 5.666 1 0 KKAFRM COc1cc2c(cc1OCCCN1CCOCC1)nccc2Oc1ccc(NS(=O)(=O)c2cccc(-c3cnn(C)c3)c2)cc1F ZINC000169344651 562861442 /nfs/dbraw/zinc/86/14/42/562861442.db2.gz PLLKNTADWFHSNK-UHFFFAOYSA-N -1 0 647.729 5.477 1 0 KKAFRM CC[C@H](C)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)[O-] ZINC000169345091 562861500 /nfs/dbraw/zinc/86/15/00/562861500.db2.gz HUDNYOPDDZZSAR-ZHZJYDNTSA-N -1 0 569.871 7.765 1 0 KKAFRM CCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(C)=C/C(=O)[O-] ZINC000169346199 562861732 /nfs/dbraw/zinc/86/17/32/562861732.db2.gz GKGIRWYFYBESCH-NMEWUHLLSA-N -1 0 688.855 6.308 1 0 KKAFRM COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)[O-])cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000169346885 562861864 /nfs/dbraw/zinc/86/18/64/562861864.db2.gz LANLVVCVNZPMJZ-OBFLODNTSA-N -1 0 516.613 6.453 1 0 KKAFRM C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c7cc(Br)ccc7[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000169351525 562862993 /nfs/dbraw/zinc/86/29/93/562862993.db2.gz HMHCLABTMHUCQL-WHYMSRAASA-N -1 0 606.689 9.686 1 0 KKAFRM CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(OC)c1)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000169694320 562865246 /nfs/dbraw/zinc/86/52/46/562865246.db2.gz JHYTUDYDHMAWOJ-NRFANRHFSA-N -1 0 519.520 5.333 1 0 KKAFRM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc([N-]S(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000169694680 562865517 /nfs/dbraw/zinc/86/55/17/562865517.db2.gz MAAASDSZPOGPGE-ZDUSSCGKSA-N -1 0 636.056 5.439 1 0 KKAFRM COc1ccc(CCOC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000169699236 562867528 /nfs/dbraw/zinc/86/75/28/562867528.db2.gz LNIATAFARQUGEV-QNGWXLTQSA-N -1 0 775.888 6.565 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000169702709 562868552 /nfs/dbraw/zinc/86/85/52/562868552.db2.gz GZNBYZZOSKBOQA-UHFFFAOYSA-N -1 0 622.858 8.211 1 0 KKAFRM Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)[O-])ccc43)s2)c1 ZINC000169704394 562868890 /nfs/dbraw/zinc/86/88/90/562868890.db2.gz NFMSEOQFJLOMGS-XMMPIXPASA-N -1 0 527.528 5.215 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12 ZINC000199335887 562872904 /nfs/dbraw/zinc/87/29/04/562872904.db2.gz SPZPQRKTGHMKOS-NRFANRHFSA-N -1 0 537.059 7.816 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](CC(C)C)c3cccc(C(C)C)c3)cc12 ZINC000199337196 562872946 /nfs/dbraw/zinc/87/29/46/562872946.db2.gz KDBITMBUICXATG-BHVANESWSA-N -1 0 586.776 9.312 1 0 KKAFRM Cn1c(C(=O)N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])cc2ccc(-c3ccc(Cl)cc3)cc21 ZINC000202313645 562873630 /nfs/dbraw/zinc/87/36/30/562873630.db2.gz BDFJOPQBXQYVJO-MUUNZHRXSA-N -1 0 539.031 6.503 1 0 KKAFRM O=C([O-])[C@]1(NC(=O)Cc2ccc(OC3Cc4ccccc4C3)cc2)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000202313787 562873633 /nfs/dbraw/zinc/87/36/33/562873633.db2.gz IZBSGCMWLHCMTH-XIFFEERXSA-N -1 0 538.043 5.834 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202313472 562873634 /nfs/dbraw/zinc/87/36/34/562873634.db2.gz KXXPBICIHLTPLB-SANMLTNESA-N -1 0 525.992 5.659 1 0 KKAFRM Cn1c(C(=O)N[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])cc2cc(-c3ccc(Cl)cc3)ccc21 ZINC000202313149 562873647 /nfs/dbraw/zinc/87/36/47/562873647.db2.gz WVLFSYBRJALCAT-MUUNZHRXSA-N -1 0 539.031 6.503 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2o1 ZINC000202314840 562873660 /nfs/dbraw/zinc/87/36/60/562873660.db2.gz FGLNGYXVMVAPIH-MHZLTWQESA-N -1 0 525.988 6.758 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000202319413 562873686 /nfs/dbraw/zinc/87/36/86/562873686.db2.gz KXXPBICIHLTPLB-AREMUKBSSA-N -1 0 525.992 5.659 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccsc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1 ZINC000202321627 562873687 /nfs/dbraw/zinc/87/36/87/562873687.db2.gz SIFPNYANGOFENF-DEOSSOPVSA-N -1 0 532.021 5.721 1 0 KKAFRM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1nc2cc(-c3ccc(Cl)cc3)ccc2[nH]1 ZINC000202319154 562873699 /nfs/dbraw/zinc/87/36/99/562873699.db2.gz CVSWEPVMLGFMRM-HHHXNRCGSA-N -1 0 525.992 5.888 1 0 KKAFRM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000202325001 562873747 /nfs/dbraw/zinc/87/37/47/562873747.db2.gz YQZVKGGJYBCUIZ-LZLSOFMDSA-N -1 0 552.030 6.163 1 0 KKAFRM Cc1cc2ccccc2nc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203664277 562873989 /nfs/dbraw/zinc/87/39/89/562873989.db2.gz KRIIBQONOJTIAK-UHFFFAOYSA-N -1 0 516.497 5.536 1 0 KKAFRM Cc1c2ccccc2cnc1N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000203662880 562874030 /nfs/dbraw/zinc/87/40/30/562874030.db2.gz ZNECSAYKPKIUOE-UHFFFAOYSA-N -1 0 516.497 5.536 1 0 KKAFRM CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC000205284949 562875013 /nfs/dbraw/zinc/87/50/13/562875013.db2.gz LGYZBTDIGHRUDF-UHFFFAOYSA-N -1 0 550.627 7.294 1 0 KKAFRM CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)[O-])cc3)c2)CC1 ZINC000205283233 562875052 /nfs/dbraw/zinc/87/50/52/562875052.db2.gz MBTKFRQXHPGCLC-UHFFFAOYSA-N -1 0 564.654 7.177 1 0 KKAFRM Cc1cc(-c2ncc(C(F)(F)F)cn2)ccc1[C@@H](CCC(F)(F)F)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000205350152 562875212 /nfs/dbraw/zinc/87/52/12/562875212.db2.gz HYBIWCXMSAEBQK-HYBUGGRVSA-N -1 0 594.556 6.903 1 0 KKAFRM CC(C)n1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)[N-]c3ncns3)cc21 ZINC000205546091 562875533 /nfs/dbraw/zinc/87/55/33/562875533.db2.gz FBRGUJAWTRRULB-UHFFFAOYSA-N -1 0 546.600 5.961 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3cncc(Br)c3)cc12 ZINC000205592378 562875579 /nfs/dbraw/zinc/87/55/79/562875579.db2.gz MMNOXRNWNIPRCU-HXUWFJFHSA-N -1 0 582.498 7.320 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc12 ZINC000205971876 562876018 /nfs/dbraw/zinc/87/60/18/562876018.db2.gz IBXXJKMQNNPXAF-OAQYLSRUSA-N -1 0 520.604 7.302 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@H](C)c3cncc(C4CC4)c3)cc12 ZINC000205968141 562876020 /nfs/dbraw/zinc/87/60/20/562876020.db2.gz XBWZDNVXZYDHRJ-JOCHJYFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc12 ZINC000205975939 562876034 /nfs/dbraw/zinc/87/60/34/562876034.db2.gz LGWVIZXPZHDDHD-QFIPXVFZSA-N -1 0 516.641 7.205 1 0 KKAFRM COc1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4ccc(C(C)(C)C)cc4)ccc32)cc1O[C@@H](C)C(=O)[O-] ZINC000205978241 562876048 /nfs/dbraw/zinc/87/60/48/562876048.db2.gz UYJKNFRRSPQXSM-GMAHTHKFSA-N -1 0 556.703 6.955 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)NCc3ccc(I)cc3)cc12 ZINC000205982315 562876068 /nfs/dbraw/zinc/87/60/68/562876068.db2.gz SEPFCGHYUGMVEJ-UHFFFAOYSA-N -1 0 614.483 7.206 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C4CC4)ccn3)cc12 ZINC000205980364 562876071 /nfs/dbraw/zinc/87/60/71/562876071.db2.gz CAXQXGYLTJHCCS-QFIPXVFZSA-N -1 0 543.667 7.435 1 0 KKAFRM Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)c2ccc(C(=O)N[C@@H](C)c3cc(Cl)ccn3)cc12 ZINC000205990941 562876122 /nfs/dbraw/zinc/87/61/22/562876122.db2.gz OFOAIQXVFTYDCK-FQEVSTJZSA-N -1 0 538.047 7.211 1 0 KKAFRM CC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1 ZINC000205999698 562876162 /nfs/dbraw/zinc/87/61/62/562876162.db2.gz PFLGTTTYOBZDCE-VWLOTQADSA-N -1 0 621.803 7.413 1 0 KKAFRM Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206010884 562876173 /nfs/dbraw/zinc/87/61/73/562876173.db2.gz KKZGYXXIYIKUJK-FPOVZHCZSA-N -1 0 545.079 7.180 1 0 KKAFRM Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)[O-])c2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206014590 562876179 /nfs/dbraw/zinc/87/61/79/562876179.db2.gz XXEBBCPQHQNYMJ-UNMCSNQZSA-N -1 0 561.122 7.600 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2-c2ccncc2)c1 ZINC000206137518 562876322 /nfs/dbraw/zinc/87/63/22/562876322.db2.gz INWWBXFEFPNCFR-UHFFFAOYSA-N -1 0 513.526 5.635 1 0 KKAFRM COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@@H](C)[C@H]4CC(=O)[O-])cc3)c(C)c2)c1 ZINC000210009125 562876991 /nfs/dbraw/zinc/87/69/91/562876991.db2.gz BICVZUYPVRKWQB-WKRVVKTRSA-N -1 0 522.620 7.104 1 0 KKAFRM CNC(=O)[C@H](NC(=O)[C@H](CCc1ccc(Cl)cc1)C[P@](=O)([O-])Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C ZINC000210529025 562877024 /nfs/dbraw/zinc/87/70/24/562877024.db2.gz VAQVSMUJBPTVIS-PXJZQJOASA-N -1 0 583.109 6.227 1 0 KKAFRM COc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1nccc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000215512782 562877406 /nfs/dbraw/zinc/87/74/06/562877406.db2.gz WDKBXQZMGZDSKW-UHFFFAOYSA-N -1 0 536.535 6.187 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)[N-]c3ccncn3)ccc21 ZINC000215523833 562877416 /nfs/dbraw/zinc/87/74/16/562877416.db2.gz SPWABNDAVLLPTM-UHFFFAOYSA-N -1 0 521.961 5.356 1 0 KKAFRM COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)[N-]c3ncns3)ccc21 ZINC000215523765 562877452 /nfs/dbraw/zinc/87/74/52/562877452.db2.gz NAAYBGMVDQIEPA-UHFFFAOYSA-N -1 0 527.990 5.417 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)cc1C)C(=O)[O-] ZINC000218038085 562877810 /nfs/dbraw/zinc/87/78/10/562877810.db2.gz DOXROXAGVULOKM-UHFFFAOYSA-N -1 0 555.597 7.008 1 0 KKAFRM Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)[O-])n(Cc4c(F)cc(-c5ccc(C(F)(F)F)cc5)cc4F)c3c2)c(F)c1 ZINC000218152174 562877845 /nfs/dbraw/zinc/87/78/45/562877845.db2.gz BCVWBEXDWHVTHJ-LOSJGSFVSA-N -1 0 653.623 8.829 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)[O-] ZINC000218176028 562877860 /nfs/dbraw/zinc/87/78/60/562877860.db2.gz FTGCKJDGQMFVGC-UHFFFAOYSA-N -1 0 576.015 7.353 1 0 KKAFRM Cc1ccc(COc2cc3c(nc(CC4(C(=O)[O-])CCCC4)n3Cc3ccc(Br)cc3)c(Cl)c2)nc1 ZINC000218310968 562877891 /nfs/dbraw/zinc/87/78/91/562877891.db2.gz BEBHGFUXAWTNRM-UHFFFAOYSA-N -1 0 568.899 6.970 1 0 KKAFRM CCC(CC)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000219414809 562878209 /nfs/dbraw/zinc/87/82/09/562878209.db2.gz MIHRVIJRXSSJEF-UHFFFAOYSA-N -1 0 572.503 7.408 1 0 KKAFRM COc1ccc(Cn2c(CC3(C(=O)[O-])CCCC3)nc3cc(OCc4ccc5ccccc5n4)ccc32)cc1 ZINC000219448872 562878237 /nfs/dbraw/zinc/87/82/37/562878237.db2.gz WQEFELWKEREOLV-UHFFFAOYSA-N -1 0 521.617 6.408 1 0 KKAFRM C[C@H](c1ccc(Br)cc1)n1c(CC(C)(C)C(=O)[O-])nc2cc(OCc3ccc4ccccc4n3)ccc21 ZINC000219463560 562878249 /nfs/dbraw/zinc/87/82/49/562878249.db2.gz WNBPBAXFNRFRQS-LJQANCHMSA-N -1 0 558.476 7.189 1 0 KKAFRM CC1(C)[C@@H](C(=O)[O-])[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(F)c(F)c2)cc1F ZINC000220524704 562878559 /nfs/dbraw/zinc/87/85/59/562878559.db2.gz ICZAKIKYQRFGCN-CZNDPXEESA-N -1 0 607.632 8.120 1 0 KKAFRM CS(=O)(=O)Nc1ccc(-c2ccc(Cn3c4ccc(OCc5ccc6ccccc6n5)cc4nc3[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000220525149 562878573 /nfs/dbraw/zinc/87/85/73/562878573.db2.gz GETNXXSOJRUYQZ-SAIUNTKASA-N -1 0 660.796 7.609 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F ZINC000220525604 562878587 /nfs/dbraw/zinc/87/85/87/562878587.db2.gz HWKHQFOBYHSYCX-CONSDPRKSA-N -1 0 653.676 9.395 1 0 KKAFRM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCC(O)(c2ccccc2OC(F)(F)F)CC1 ZINC000220582297 562878598 /nfs/dbraw/zinc/87/85/98/562878598.db2.gz VUDHHPBMJXRFKZ-UHFFFAOYSA-N -1 0 571.577 5.058 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)C2CCCCC2)cc(C)c1Cl ZINC000222487549 562879835 /nfs/dbraw/zinc/87/98/35/562879835.db2.gz CCINIGNSFDEVOS-UHFFFAOYSA-N -1 0 574.143 5.206 1 0 KKAFRM CC1(C)CN(C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)c2c(Br)cccc21 ZINC000223899660 562880182 /nfs/dbraw/zinc/88/01/82/562880182.db2.gz FQQIXBRAXJCFJC-PVBLUSGHSA-N -1 0 635.906 5.289 1 0 KKAFRM CC1(C)CN(C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)c2c(Br)cccc21 ZINC000223899601 562880199 /nfs/dbraw/zinc/88/01/99/562880199.db2.gz FQQIXBRAXJCFJC-FQKQOIFNSA-N -1 0 635.906 5.289 1 0 KKAFRM COc1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)[C@@H]3C(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000224065604 562880272 /nfs/dbraw/zinc/88/02/72/562880272.db2.gz GSLMLSOYLXMFCY-RJLVRWHWSA-N -1 0 687.515 6.260 1 0 KKAFRM O=S(=O)([N-]c1ncns1)c1ccc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2cn[nH]c2)c1 ZINC000225110989 562880761 /nfs/dbraw/zinc/88/07/61/562880761.db2.gz PVGFVJHRMGAIOO-UHFFFAOYSA-N -1 0 501.515 5.568 1 0 KKAFRM CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000226029493 562880867 /nfs/dbraw/zinc/88/08/67/562880867.db2.gz NUCUYJZEWIHTAI-UHFFFAOYSA-N -1 0 525.447 5.593 1 0 KKAFRM Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)[O-])n(Cc4ccc(Br)cc4)c3c2)c(F)c1 ZINC000226012895 562880810 /nfs/dbraw/zinc/88/08/10/562880810.db2.gz PIZXTOFCUAZBDQ-YADHBBJMSA-N -1 0 552.444 6.627 1 0 KKAFRM Cc1ccc(COc2cc3c(nc([C@@H]4[C@H](C(=O)[O-])C4(C)C)n3Cc3ccc(OC(F)(F)F)cc3)c(F)c2)nc1 ZINC000226024139 562880834 /nfs/dbraw/zinc/88/08/34/562880834.db2.gz GUUOZSKHKUQYBQ-XZOQPEGZSA-N -1 0 543.517 6.229 1 0 KKAFRM COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1 ZINC000226104951 562880958 /nfs/dbraw/zinc/88/09/58/562880958.db2.gz MQEMEIMRVQUHGX-UHFFFAOYSA-N -1 0 572.665 6.936 1 0 KKAFRM CC1(C)CCC[C@]1(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(Br)cc1)C(=O)[O-] ZINC000226102310 562880969 /nfs/dbraw/zinc/88/09/69/562880969.db2.gz XBZYTQQWHJXJQY-XIFFEERXSA-N -1 0 598.541 7.798 1 0 KKAFRM O=C([O-])C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000226103910 562880981 /nfs/dbraw/zinc/88/09/81/562880981.db2.gz ITJIPMVEZZGNMA-UHFFFAOYSA-N -1 0 575.587 7.298 1 0 KKAFRM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000226106134 562880982 /nfs/dbraw/zinc/88/09/82/562880982.db2.gz YZXVVLQFYPGOSL-ACHIHNKUSA-N -1 0 635.686 9.256 1 0 KKAFRM CCC(=O)O[C@@H](C)O[P@](=O)(O[C@@H](C)OC(=O)CC)[C@@H](CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)[O-] ZINC000253685030 562882865 /nfs/dbraw/zinc/88/28/65/562882865.db2.gz CTIZUTFJLUQZCE-PJKWCTCNSA-N -1 0 586.596 5.840 1 0 KKAFRM COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)[N-]S(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000299824593 562883323 /nfs/dbraw/zinc/88/33/23/562883323.db2.gz BMNTUTYNHUYXRO-NTUMXORWSA-N -1 0 785.389 5.631 1 0 KKAFRM C[C@]1(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)Nc2ccccc2F)C2CC2)C1=O ZINC000299825239 562883499 /nfs/dbraw/zinc/88/34/99/562883499.db2.gz DVURLPFIKHWWLX-KWERBVPJSA-N -1 0 633.569 6.891 1 0 KKAFRM CN(C)S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)[O-])C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C ZINC000299826514 562883881 /nfs/dbraw/zinc/88/38/81/562883881.db2.gz HPLIFNBTIOMIPU-QMHRWYJISA-N -1 0 583.578 5.838 1 0 KKAFRM CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)nc2CC2CCCCC2)c(Cl)c1C ZINC000299826583 562883899 /nfs/dbraw/zinc/88/38/99/562883899.db2.gz QLKWBZGQDXUAPZ-WGSAOQKQSA-N -1 0 596.215 5.955 1 0 KKAFRM Cc1ccc(NC(=O)C[C@H](CCC(=O)[O-])c2nnn([C@H]3C[C@@H](CC(C)(C)C)C3)c2C(F)(F)F)c(C)c1 ZINC000299826697 562883937 /nfs/dbraw/zinc/88/39/37/562883937.db2.gz RSINIPXJQJTQLA-GBESFXJTSA-N -1 0 508.585 6.278 1 0 KKAFRM Cc1ccc(NC(=O)C[C@H](CCC(=O)[O-])c2noc([C@H]3C[C@@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1 ZINC000299827340 562884104 /nfs/dbraw/zinc/88/41/04/562884104.db2.gz YWTJAGLMNTUIMB-YSIASYRMSA-N -1 0 501.067 7.421 1 0 KKAFRM Cc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000299827771 562884238 /nfs/dbraw/zinc/88/42/38/562884238.db2.gz PDBDXSJRRCVBTJ-VWLOTQADSA-N -1 0 516.648 5.923 1 0 KKAFRM CCCN(CC1CC1)C(=O)CCC(=O)Nc1cccc(-c2c(I)c3cc(C(=O)[O-])c(O)cc3n2C)c1 ZINC000299828556 562884507 /nfs/dbraw/zinc/88/45/07/562884507.db2.gz NQJBOKGNUUUPSN-UHFFFAOYSA-N -1 0 603.457 5.221 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6cccc(F)c6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299828612 562884557 /nfs/dbraw/zinc/88/45/57/562884557.db2.gz OCFGYRVUZZSKLA-WXOQRQQKSA-N -1 0 676.910 9.725 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(OCC(=O)NC(C)(C)C)cc(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C2=O ZINC000299829135 562884716 /nfs/dbraw/zinc/88/47/16/562884716.db2.gz KONKKPPEUAHNDJ-VFAOFISMSA-N -1 0 810.938 5.342 1 0 KKAFRM C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6F)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)[O-] ZINC000299829074 562884739 /nfs/dbraw/zinc/88/47/39/562884739.db2.gz POUDXCKVVFZZIG-QFAJIPSGSA-N -1 0 676.910 9.725 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3cccc(N)n3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299829577 562884918 /nfs/dbraw/zinc/88/49/18/562884918.db2.gz HRMMMQILXNTLPD-SAPNQHFASA-N -1 0 621.738 6.268 1 0 KKAFRM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])c(C(F)(F)F)c4)CCC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000299835142 562886790 /nfs/dbraw/zinc/88/67/90/562886790.db2.gz LTWFAOPUUOILFD-NTCAYCPXSA-N -1 0 630.667 7.306 1 0 KKAFRM COC(=O)[C@@H](CCSC)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@@H]1[C@H]3C(=O)CC[C@@H]1OC(=O)CCC(=O)[O-] ZINC000299837007 562887367 /nfs/dbraw/zinc/88/73/67/562887367.db2.gz OYTUZUSUAAMIIY-JLGIZHDNSA-N -1 0 659.886 5.594 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299839977 562888345 /nfs/dbraw/zinc/88/83/45/562888345.db2.gz UHZIGOYVOWKUTR-SDNWHVSQSA-N -1 0 686.607 6.843 1 0 KKAFRM Cc1cc(C)c(S(=O)(=O)N(CC(=O)N(Cc2ccc3ccccc3c2)c2ccc(C(=O)[O-])c(O)c2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000299840164 562888448 /nfs/dbraw/zinc/88/84/48/562888448.db2.gz UTODQOMBZHCWFH-UHFFFAOYSA-N -1 0 657.188 7.247 1 0 KKAFRM CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c(O)c(C5SCCS5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C2=O ZINC000299844206 562889219 /nfs/dbraw/zinc/88/92/19/562889219.db2.gz GCEUDIONNAAMRI-XGOZVWLMSA-N -1 0 801.977 6.233 1 0 KKAFRM COC(=O)CC[C@]1(C)[C@H]2CC[C@@H]3[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)[O-])CC[C@@]3(C)[C@]2(C)CC[C@H]1[C@@H](C)COC(C)=O ZINC000299846979 562889810 /nfs/dbraw/zinc/88/98/10/562889810.db2.gz BSVLPFLIRWOLJN-NECOLEBUSA-N -1 0 546.789 7.141 1 0 KKAFRM C[C@H](CCC(=O)N[C@H](CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299849013 562890377 /nfs/dbraw/zinc/89/03/77/562890377.db2.gz ZUGUPKBOHCFYIT-MRLXTBFYSA-N -1 0 711.941 6.729 1 0 KKAFRM C[C@@H](CCC(=O)N[C@H](CCC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299849007 562890393 /nfs/dbraw/zinc/89/03/93/562890393.db2.gz ZUGUPKBOHCFYIT-BBMVZCDYSA-N -1 0 711.941 6.729 1 0 KKAFRM O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5ccc(O)cc5)n(Cc5ccccc5)c4=S)CC3)c(F)cc2c1=O ZINC000299857033 562892049 /nfs/dbraw/zinc/89/20/49/562892049.db2.gz DPBWJDMPRGVUQG-UHFFFAOYSA-N -1 0 626.714 5.102 1 0 KKAFRM O=C([O-])COc1cccc2c1CC[C@H](Cn1ncc(-c3cccc(Cl)c3)c(-c3ccccc3)c1=O)C2 ZINC000299859355 562892706 /nfs/dbraw/zinc/89/27/06/562892706.db2.gz XDUIIFURCXXYGG-IBGZPJMESA-N -1 0 500.982 5.499 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCC2)cnc1/C=C/C(=O)[O-] ZINC000299860902 562893054 /nfs/dbraw/zinc/89/30/54/562893054.db2.gz JVZNHPJFWPLQBE-ZHACJKMWSA-N -1 0 674.556 5.243 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCCC2)ccc1/C=C/C(=O)[O-] ZINC000299863318 562893803 /nfs/dbraw/zinc/89/38/03/562893803.db2.gz KXXKRPQFGLXJMO-OBGWFSINSA-N -1 0 621.738 6.471 1 0 KKAFRM O=C([O-])c1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000299863928 562893988 /nfs/dbraw/zinc/89/39/88/562893988.db2.gz QIKFKERWBDPFPQ-UHFFFAOYSA-N -1 0 502.379 5.023 1 0 KKAFRM CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4[C@@H](OC(C)=O)[C@H](O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-] ZINC000299864116 562894060 /nfs/dbraw/zinc/89/40/60/562894060.db2.gz LZFQNCOUFBPEHH-OPYBGVSPSA-N -1 0 572.739 5.416 1 0 KKAFRM CCCC/C(=C\c1cc(OCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000299867225 562894818 /nfs/dbraw/zinc/89/48/18/562894818.db2.gz XSEQLFLIZFLWIS-VFCFBJKWSA-N -1 0 590.638 9.101 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCCC2)cnc1/C=C/C(=O)[O-] ZINC000299869185 562895288 /nfs/dbraw/zinc/89/52/88/562895288.db2.gz UEHOGXVBDZOJOY-FYWRMAATSA-N -1 0 640.716 6.234 1 0 KKAFRM COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Br)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299870274 562895459 /nfs/dbraw/zinc/89/54/59/562895459.db2.gz VZXJPAFNYVLYIV-JLHYYAGUSA-N -1 0 673.568 5.848 1 0 KKAFRM COc1cccc(OC)c1-c1cc(NC(=O)C2(C(=O)[O-])CCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000299870854 562895567 /nfs/dbraw/zinc/89/55/67/562895567.db2.gz WYEXHFGVCLTCPV-UHFFFAOYSA-N -1 0 535.000 5.732 1 0 KKAFRM CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)nnc1/C=C/C(=O)[O-] ZINC000299871235 562895664 /nfs/dbraw/zinc/89/56/64/562895664.db2.gz YCZVNYOUONNODU-VAWYXSNFSA-N -1 0 644.132 5.524 1 0 KKAFRM CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ncc1/C=C/C(=O)[O-] ZINC000299871592 562895766 /nfs/dbraw/zinc/89/57/66/562895766.db2.gz YTVUGYJKQSIHCA-ZRDIBKRKSA-N -1 0 644.132 5.524 1 0 KKAFRM O=C([O-])Cc1cn(Cc2ccccc2)c2ccc(OCCOc3cccc(OCc4ccc(Cl)cc4)c3)cc12 ZINC000473083754 562896828 /nfs/dbraw/zinc/89/68/28/562896828.db2.gz PLIIHPBTLFMQBP-UHFFFAOYSA-N -1 0 542.031 7.007 1 0 KKAFRM COc1ccc(COc2cccc(OCCOc3ccc4c(c3)c(CC(=O)[O-])cn4Cc3ccccc3)c2)cc1 ZINC000473085580 562896989 /nfs/dbraw/zinc/89/69/89/562896989.db2.gz YGTWCTKFYRNRQE-UHFFFAOYSA-N -1 0 537.612 6.362 1 0 KKAFRM CCC[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473086206 562897055 /nfs/dbraw/zinc/89/70/55/562897055.db2.gz HDTVBAKFJLEVQU-PMERELPUSA-N -1 0 629.679 8.300 1 0 KKAFRM C[C@@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 ZINC000473088026 562897255 /nfs/dbraw/zinc/89/72/55/562897255.db2.gz NJHDLWUHAOCZFB-SFHVURJKSA-N -1 0 676.013 8.755 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21 ZINC000473088437 562897300 /nfs/dbraw/zinc/89/73/00/562897300.db2.gz NXFHTHPJDOCXIS-SSEXGKCCSA-N -1 0 699.648 8.890 1 0 KKAFRM COc1ccc(C(F)(F)F)cc1-c1nn(Cc2ccc(C(=O)NCCC(=O)[O-])cc2)c2cc(-c3ccc(C)cc3)ccc21 ZINC000473090577 562897558 /nfs/dbraw/zinc/89/75/58/562897558.db2.gz WJKISSLBQYJYPA-UHFFFAOYSA-N -1 0 587.598 6.959 1 0 KKAFRM CCC[C@H](c1ccc(C(=O)NCCC(=O)[O-])cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21 ZINC000473091456 562897668 /nfs/dbraw/zinc/89/76/68/562897668.db2.gz YFFFHANTAHJQKH-SSEXGKCCSA-N -1 0 645.678 8.000 1 0 KKAFRM COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000473113059 562898760 /nfs/dbraw/zinc/89/87/60/562898760.db2.gz HLEKBCPISDDKSB-FVWYBJPTSA-N -1 0 570.811 7.738 1 0 KKAFRM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653670152 562906122 /nfs/dbraw/zinc/90/61/22/562906122.db2.gz PAVCFPGEDQLOLY-UHFFFAOYSA-N -1 0 517.585 5.765 1 0 KKAFRM O=C(c1cc(Cl)c([O-])cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1 ZINC000653682381 562906383 /nfs/dbraw/zinc/90/63/83/562906383.db2.gz DBIIWTFQIDNGDF-UHFFFAOYSA-N -1 0 606.125 6.200 1 0 KKAFRM Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c([O-])cc2O)cc1 ZINC000653686448 562906495 /nfs/dbraw/zinc/90/64/95/562906495.db2.gz DRQRKIMSCOIOQO-UHFFFAOYSA-N -1 0 620.152 6.509 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653706050 562907760 /nfs/dbraw/zinc/90/77/60/562907760.db2.gz WXSGYQCPUMNSNE-YZNIXAGQSA-N -1 0 564.587 5.418 1 0 KKAFRM CCCCCCOc1cc(=O)c2c([O-])c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(O)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000653706047 562907771 /nfs/dbraw/zinc/90/77/71/562907771.db2.gz WXSGYQCPUMNSNE-FREGXXQWSA-N -1 0 564.587 5.418 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)NCc4ccccc4)o3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653725573 562909052 /nfs/dbraw/zinc/90/90/52/562909052.db2.gz NMFCQGOCMLIFDA-UHFFFAOYSA-N -1 0 762.716 7.762 1 0 KKAFRM Cc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[N-]S(=O)(=O)CCNC(=O)c2ccc3[nH]ccc3c2)cc(C)c1Cl ZINC000653733773 562909592 /nfs/dbraw/zinc/90/95/92/562909592.db2.gz OUJVVYRGZFLQRK-UHFFFAOYSA-N -1 0 607.132 5.421 1 0 KKAFRM Cc1nn(C)c(C)c1-c1c2[nH]c(C(=O)[N-]S(=O)(=O)c3cccc(CNC(=O)c4cccc(C(F)(F)F)c4)c3)c(CCCOc3cc(C)c(Cl)c(C)c3)c2ccc1Cl ZINC000653736119 562909688 /nfs/dbraw/zinc/90/96/88/562909688.db2.gz MKRUMIFVVFWNJZ-UHFFFAOYSA-N -1 0 840.752 9.188 1 0 KKAFRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3cccc(Br)c3)cc2)c2ccccc2c1O ZINC000653737390 562909751 /nfs/dbraw/zinc/90/97/51/562909751.db2.gz NRCLFNVQEKEPBV-UHFFFAOYSA-N -1 0 514.353 5.599 1 0 KKAFRM CCCc1nc2c(cc(C(=O)NCCc3ccccc3F)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653749319 562910586 /nfs/dbraw/zinc/91/05/86/562910586.db2.gz DUQYMBAKMGPNBF-UHFFFAOYSA-N -1 0 679.818 7.530 1 0 KKAFRM CCCNC(=O)c1cc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(=O)(=O)[N-]c3onc(C)c3C)cc2)c(C)c1 ZINC000653751559 562910735 /nfs/dbraw/zinc/91/07/35/562910735.db2.gz VLGGEPOONXHUNT-UHFFFAOYSA-N -1 0 599.757 6.558 1 0 KKAFRM CCCc1nc2c(cc(C(=O)Nc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653753031 562910752 /nfs/dbraw/zinc/91/07/52/562910752.db2.gz LOQUVMNOTIXNAQ-UHFFFAOYSA-N -1 0 633.774 7.670 1 0 KKAFRM CCSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000653757070 562910993 /nfs/dbraw/zinc/91/09/93/562910993.db2.gz FWZUAHSNDPMYKQ-HSZRJFAPSA-N -1 0 563.723 7.404 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653761894 562911362 /nfs/dbraw/zinc/91/13/62/562911362.db2.gz HEPBSTCQMBJWNT-GVKUVPEFSA-N -1 0 576.778 6.342 1 0 KKAFRM C[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000653762944 562911502 /nfs/dbraw/zinc/91/15/02/562911502.db2.gz HSXNAFRSCSCIJH-JWKQSAOVSA-N -1 0 521.742 6.155 1 0 KKAFRM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cccnc3)C(=O)c3cc(Cl)c([O-])cc3O)cc2)cc1 ZINC000653764977 562911587 /nfs/dbraw/zinc/91/15/87/562911587.db2.gz GNGPZDUCRHGMSX-UHFFFAOYSA-N -1 0 531.996 5.274 1 0 KKAFRM O=C([O-])CN(Cc1cccc(-c2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000653801319 562913413 /nfs/dbraw/zinc/91/34/13/562913413.db2.gz PGUXXYOJAPWVON-UHFFFAOYSA-N -1 0 516.349 5.537 1 0 KKAFRM CCc1ccc(NC(=O)c2cc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)ccc2Nc2ccccc2)cc1 ZINC000653801644 562913427 /nfs/dbraw/zinc/91/34/27/562913427.db2.gz UFRRCWBSJSPCCU-UHFFFAOYSA-N -1 0 505.530 5.744 1 0 KKAFRM COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OS(=O)(=O)[O-])c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653803580 562913524 /nfs/dbraw/zinc/91/35/24/562913524.db2.gz BMQYMRBEIXUJDU-OYFNQGBZSA-N -1 0 618.660 5.391 1 0 KKAFRM Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)ccc2N2CCCCC2)cc1Cl ZINC000653806361 562913711 /nfs/dbraw/zinc/91/37/11/562913711.db2.gz UYZKLXKQGWMPCQ-UHFFFAOYSA-N -1 0 517.969 5.390 1 0 KKAFRM O=C([O-])c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)Nc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000653817029 562914002 /nfs/dbraw/zinc/91/40/02/562914002.db2.gz WCTYCLNQJSPOCO-IUZWSJCJSA-N -1 0 528.395 7.543 1 0 KKAFRM CCOc1ccc(-c2c(NC(=O)c3ccc(OCC(C)C)cc3)c(C(=O)[O-])nn2-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000653842098 562914878 /nfs/dbraw/zinc/91/48/78/562914878.db2.gz BRWCOCICLLQFLI-UHFFFAOYSA-N -1 0 591.664 7.716 1 0 KKAFRM O=C([O-])c1ccc(OC(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12 ZINC000653842756 562914940 /nfs/dbraw/zinc/91/49/40/562914940.db2.gz JGLBRFJRIZMPQY-UHFFFAOYSA-N -1 0 516.425 5.536 1 0 KKAFRM CC(C)Oc1ccc(C(=O)Nc2c(C(=O)[O-])nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1 ZINC000653843540 562915040 /nfs/dbraw/zinc/91/50/40/562915040.db2.gz XMMSWQSSUYVMCR-UHFFFAOYSA-N -1 0 591.664 7.857 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)N[C@@H](CC(=O)[O-])c4ccccc4)cc3)ccc2c1 ZINC000653848745 562915379 /nfs/dbraw/zinc/91/53/79/562915379.db2.gz NZPVPVNZOQBYCQ-NHOCJEJCSA-N -1 0 664.589 9.241 1 0 KKAFRM O=C([O-])CCNC(=O)c1ccc2c(c1)CC[C@H]2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccco1 ZINC000653850802 562915515 /nfs/dbraw/zinc/91/55/15/562915515.db2.gz FREPUZMECPUPKW-JOCHJYFZSA-N -1 0 510.377 5.857 1 0 KKAFRM COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NC[C@H](C)C(=O)[O-])cc3)ccc2c1 ZINC000653853981 562915686 /nfs/dbraw/zinc/91/56/86/562915686.db2.gz KWLIKEXVUDOUFJ-VQTJNVASSA-N -1 0 602.518 7.746 1 0 KKAFRM CCO[C@@]1(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000653861172 562916002 /nfs/dbraw/zinc/91/60/02/562916002.db2.gz SMDWLPRLUOUPSS-VDVQIJNHSA-N -1 0 612.937 9.266 1 0 KKAFRM [NH3+][C@@H](CO[P@](=O)([O-])OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)[O-] ZINC000653890275 562917163 /nfs/dbraw/zinc/91/71/63/562917163.db2.gz LIMYTUSBKLMPQR-WIIGKZCBSA-N -1 0 664.044 5.280 1 0 KKAFRM CCC[C@H]1[C@]2(O)CC[C@]3(CO)[C@@]1(CC[C@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)[O-])CC[C@]4(C)CC[C@]13C)[C@H](Cc1ccccc1)O2 ZINC000085530709 565135815 /nfs/dbraw/zinc/13/58/15/565135815.db2.gz HHRKKQUXYUODSO-XRGJMJAJSA-N -1 0 620.915 8.406 1 0 biogenic,in-vitro KKAFRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(O)cc6)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000095910204 565176830 /nfs/dbraw/zinc/17/68/30/565176830.db2.gz BCJLQRJLEJBGFM-IPNQRAGGSA-N -1 0 618.855 8.176 1 0 biogenic,in-vitro KKAFRM Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(c4ccc(S(=O)(=O)[N-]c5nccs5)cc4)[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150343222 571458869 /nfs/dbraw/zinc/45/88/69/571458869.db2.gz WKKSHWBSPRWEJC-ZPGRZCPFSA-N -1 0 769.952 7.183 2 0 KKAFRM COc1cc([N-]S(=O)(=O)c2ccc(N3[C@@H]4c5ccccc5N(S(=O)(=O)c5ccc(C)cc5)[C@H]3c3ccccc3N4S(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1 ZINC000150343193 571458926 /nfs/dbraw/zinc/45/89/26/571458926.db2.gz JYRRXMLVMDRTSN-YDAXCOIMSA-N -1 0 824.963 6.533 2 0 KKAFRM COC(=O)[C@]1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777893 571826113 /nfs/dbraw/zinc/82/61/13/571826113.db2.gz YAGYBNOEVSEGSL-XLLISDSISA-N -1 0 516.719 5.359 1 0 endogenous,in-man KKAFRM COC(=O)[C@]1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2C1 ZINC000257639038 571861065 /nfs/dbraw/zinc/86/10/65/571861065.db2.gz YAGYBNOEVSEGSL-KNMPSSHMSA-N -1 0 516.719 5.359 1 0 endogenous,in-man KKAFRM CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2C4=C(C)[C@H](C)CC[C@@]4(C(=O)[O-])CC[C@@]23C)C(C)(C)[C@@H]1OC(C)=O ZINC000100780754 574412227 /nfs/dbraw/zinc/41/22/27/574412227.db2.gz NKUPBVVFDCQLGE-PEYMSDDESA-N -1 0 554.768 7.266 1 0 endogenous,in-man KKAFRM Cc1c(C)c(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCCN2CCOCC2)ccc1OCC(=O)[O-] ZINC000042920136 581093643 /nfs/dbraw/zinc/09/36/43/581093643.db2.gz NUAROWKZTRKIIQ-UHFFFAOYSA-N -1 0 591.648 6.227 1 0 KKAFRM Cc1c(C)c(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OC[C@H]2CCCO2)ccc1OCC(=O)[O-] ZINC000042807452 581093718 /nfs/dbraw/zinc/09/37/18/581093718.db2.gz SVFNGSMWVYNIBF-HSZRJFAPSA-N -1 0 562.606 7.074 1 0 KKAFRM CCC(=O)O[C@H](O[P@@](=O)(CCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C ZINC000027077215 581093812 /nfs/dbraw/zinc/09/38/12/581093812.db2.gz PJOGDRBKVPGTCC-LVQAVWOPSA-N -1 0 549.645 5.731 1 0 KKAFRM O=c1cc(C(CC2CC2)CC2CC2)oc([O-])c1[C@H](c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100909348 581101527 /nfs/dbraw/zinc/10/15/27/581101527.db2.gz BFWDTFXPCUQCAN-LJAQVGFWSA-N -1 0 536.665 6.684 1 0 KKAFRM