smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N1CCOCC1)[C@]12CN(c3ncccn3)C[C@H]1CN(C(F)(F)c1cnc(Cl)nc1)CCC2 ZINC001164428317 718955510 /nfs/dbraw/zinc/95/55/10/718955510.db2.gz KBWJIXVGERSBSD-LAUBAEHRSA-N 0 0 493.946 2.047 20 0 JEADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1)C2 ZINC001164435104 718977932 /nfs/dbraw/zinc/97/79/32/718977932.db2.gz ZBDMPQJPTJPUDU-COKJOHSESA-N 0 0 488.629 2.429 20 0 JEADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1nc(Cl)ncc1C(=O)OCC1CC1)C2 ZINC001164617303 719004873 /nfs/dbraw/zinc/00/48/73/719004873.db2.gz RNYDAIMVHLIFRL-UHFFFAOYSA-N 0 0 456.837 2.030 20 0 JEADRN Cc1cc(C(F)(F)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc(Cl)n1 ZINC001164638451 719258869 /nfs/dbraw/zinc/25/88/69/719258869.db2.gz ZFDYOOVGZUGZEC-UHFFFAOYSA-N 0 0 455.897 2.124 20 0 JEADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001164637602 719258887 /nfs/dbraw/zinc/25/88/87/719258887.db2.gz WOAKKJIFUUTZHR-UHFFFAOYSA-N 0 0 498.918 2.207 20 0 JEADRN Cc1cc(Cl)nc(C(F)(F)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)n1 ZINC001164634653 719258896 /nfs/dbraw/zinc/25/88/96/719258896.db2.gz NRFZHHLQGCBLRW-UHFFFAOYSA-N 0 0 455.897 2.124 20 0 JEADRN Cc1cc(C(F)(F)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)c(Cl)nn1 ZINC001164641052 719259403 /nfs/dbraw/zinc/25/94/03/719259403.db2.gz UUKPZWLXJSMDKX-UHFFFAOYSA-N 0 0 455.897 2.124 20 0 JEADRN Nc1cc(C(F)(F)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)cnc1Cl ZINC001164639768 719259461 /nfs/dbraw/zinc/25/94/61/719259461.db2.gz RJWOUWYPGJORAS-UHFFFAOYSA-N 0 0 455.897 2.003 20 0 JEADRN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CC1)C(=O)N(CCOC)CCN2C ZINC001164635696 719273639 /nfs/dbraw/zinc/27/36/39/719273639.db2.gz TZGRRARJGWNXTC-UHFFFAOYSA-N 0 0 475.977 2.219 20 0 JEADRN COCCN1CCN(C)C2(CCN(c3ccc(-c4ccc5c(c4)OCCCO5)nn3)CC2)C1=O ZINC001164644654 719282475 /nfs/dbraw/zinc/28/24/75/719282475.db2.gz OJJOJKIZOKKMCW-UHFFFAOYSA-N 0 0 467.570 2.064 20 0 JEADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)c1 ZINC001164647863 719294337 /nfs/dbraw/zinc/29/43/37/719294337.db2.gz SIMZEHROKBONOE-ULQDDVLXSA-N 0 0 474.917 2.275 20 0 JEADRN CCN1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@H]3C2)nc1 ZINC001164655637 719296538 /nfs/dbraw/zinc/29/65/38/719296538.db2.gz ULPOFNWQPRYLQF-BDTNDASRSA-N 0 0 498.653 2.156 20 0 JEADRN Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@H]2C1 ZINC001164655421 719296845 /nfs/dbraw/zinc/29/68/45/719296845.db2.gz UHZKQKQTXXMHBM-HOCLYGCPSA-N 0 0 485.944 2.116 20 0 JEADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)C[C@H]2CCCO[C@H]21 ZINC001164648173 719302703 /nfs/dbraw/zinc/30/27/03/719302703.db2.gz FYUWKGCYDVZQPN-SPYBWZPUSA-N 0 0 471.936 2.118 20 0 JEADRN COc1cc(C(F)(F)N2C[C@@H](NC(=O)c3cnoc3C)[C@@H]3OCCC[C@H]3C2)nc(Cl)n1 ZINC001164655758 719320993 /nfs/dbraw/zinc/32/09/93/719320993.db2.gz XRLGIUYTDXBULP-NORZTCDRSA-N 0 0 457.865 2.394 20 0 JEADRN CN(C)c1nccc(N2CCOC[C@]3(CCCN([C@@H](F)Oc4cncc(Cl)n4)C3)C2)n1 ZINC001164663899 719357493 /nfs/dbraw/zinc/35/74/93/719357493.db2.gz IMYFERVBWPIHSE-UYAOXDASSA-N 0 0 451.934 2.237 20 0 JEADRN CN1c2cnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nc2N2CCC[C@H]2C1=O ZINC001164673403 719511043 /nfs/dbraw/zinc/51/10/43/719511043.db2.gz SHFHRPDXDUJJOC-FQEVSTJZSA-N 0 0 466.561 2.432 20 0 JEADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)nc1Cl ZINC001164677005 719534041 /nfs/dbraw/zinc/53/40/41/719534041.db2.gz ADJCGWZNFRYYOS-BPLDGKMQSA-N 0 0 458.893 2.458 20 0 JEADRN CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164677942 719555872 /nfs/dbraw/zinc/55/58/72/719555872.db2.gz SWPDZBLZCJVUPK-LLVKDONJSA-N 0 0 461.922 2.261 20 0 JEADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001164683163 719688337 /nfs/dbraw/zinc/68/83/37/719688337.db2.gz FIDNLXMCGBZZJA-ZDUSSCGKSA-N 0 0 498.918 2.376 20 0 JEADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2nc(Cl)cc(N3CCOCC3)n2)N1Cc1cccnc1 ZINC001164690338 719765291 /nfs/dbraw/zinc/76/52/91/719765291.db2.gz AOJKWNZORSYEEX-JKSUJKDBSA-N 0 0 464.904 2.286 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)cnc1Cl ZINC001164692733 719778104 /nfs/dbraw/zinc/77/81/04/719778104.db2.gz VNLAJIYLUXUCSP-LSDHHAIUSA-N 0 0 456.902 2.458 20 0 JEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[C@@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)n1 ZINC001164699086 719818116 /nfs/dbraw/zinc/81/81/16/719818116.db2.gz GISMEUPYKUQYBT-HYVNUMGLSA-N 0 0 480.947 2.479 20 0 JEADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001164699656 719819706 /nfs/dbraw/zinc/81/97/06/719819706.db2.gz HQQDQXLFRIBKBI-XWIAVFTESA-N 0 0 479.915 2.117 20 0 JEADRN CN(C)c1cc(C(F)(F)N2CC[C@@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@@H]3C2)nc(Cl)n1 ZINC001164698608 719820107 /nfs/dbraw/zinc/82/01/07/719820107.db2.gz FHWQVWRUMJHLGI-DJIMGWMZSA-N 0 0 480.947 2.479 20 0 JEADRN O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C[C@@H]2O1 ZINC001164699588 719820451 /nfs/dbraw/zinc/82/04/51/719820451.db2.gz HLHMJWGPYPYSPK-WBAXXEDZSA-N 0 0 452.889 2.256 20 0 JEADRN O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(C(F)(F)c3cc[n+]([O-])c(Cl)c3)C[C@H]2O1 ZINC001164699582 719820464 /nfs/dbraw/zinc/82/04/64/719820464.db2.gz HLHMJWGPYPYSPK-FHLIZLRMSA-N 0 0 452.889 2.256 20 0 JEADRN O=C(NCCc1ccccn1)[C@@H]1C[C@@H]2CCN(C(F)(F)Oc3cnc(Cl)cn3)C[C@H]2O1 ZINC001164699009 719820597 /nfs/dbraw/zinc/82/05/97/719820597.db2.gz GDDBCKMXZLNUOV-CWRNSKLLSA-N 0 0 453.877 2.292 20 0 JEADRN COCCNC(=O)[C@H]1Cn2nccc2CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)C1 ZINC001164698189 719827785 /nfs/dbraw/zinc/82/77/85/719827785.db2.gz SJGROCFBBLWDSA-LJQANCHMSA-N 0 0 496.015 2.284 20 0 JEADRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)C1 ZINC001164696937 719828349 /nfs/dbraw/zinc/82/83/49/719828349.db2.gz MLFJJSKJEPMTPL-ZDUSSCGKSA-N 0 0 450.877 2.424 20 0 JEADRN CCOC(=O)c1ccc(C(F)(F)N2Cc3ccnn3C[C@@H](C(=O)NCCOC)C2)c(Cl)n1 ZINC001164695115 719828642 /nfs/dbraw/zinc/82/86/42/719828642.db2.gz BLRUFAMDYWKRJD-ZDUSSCGKSA-N 0 0 471.892 2.052 20 0 JEADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(F)(F)c2nc3ccccc3nc2Cl)C1 ZINC001164696337 719828646 /nfs/dbraw/zinc/82/86/46/719828646.db2.gz IHIUINHPXHVDKS-CYBMUJFWSA-N 0 0 450.877 2.424 20 0 JEADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703326 719840433 /nfs/dbraw/zinc/84/04/33/719840433.db2.gz QLTTUVLVQFCOBX-YJYMSZOUSA-N 0 0 476.908 2.084 20 0 JEADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164702529 719850398 /nfs/dbraw/zinc/85/03/98/719850398.db2.gz NRECVFZQAOZCRW-DJJJIMSYSA-N 0 0 461.893 2.299 20 0 JEADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1ccn2COC(=O)C(C)(C)C ZINC001164704715 719854958 /nfs/dbraw/zinc/85/49/58/719854958.db2.gz SMEQJRITQQPCAH-BXKMTCNYSA-N 0 0 473.574 2.211 20 0 JEADRN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164704037 719855101 /nfs/dbraw/zinc/85/51/01/719855101.db2.gz QPRVAYUBJTYQBE-IVZQSRNASA-N 0 0 462.934 2.303 20 0 JEADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ncnc2c1ncn2Cc1ccccc1F ZINC001164703093 719859516 /nfs/dbraw/zinc/85/95/16/719859516.db2.gz OPNYIOJUJVFWRQ-UUOWRZLLSA-N 0 0 468.533 2.246 20 0 JEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(-c2ccc(OC)cc2OC)nn1 ZINC001164699900 719872737 /nfs/dbraw/zinc/87/27/37/719872737.db2.gz CSMDHBZHIZMGCS-OSPHWJPCSA-N 0 0 456.543 2.394 20 0 JEADRN COC(=O)c1nc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)c2ccccc2c1OC ZINC001164705031 719873581 /nfs/dbraw/zinc/87/35/81/719873581.db2.gz NBSGSVFJSZEMRP-UPCLLVRISA-N 0 0 457.527 2.263 20 0 JEADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nccc(N(C)Cc2ccc(OC)cc2)n1 ZINC001164705748 719875999 /nfs/dbraw/zinc/87/59/99/719875999.db2.gz OLGDSWLGPNNBOO-NLFFAJNJSA-N 0 0 469.586 2.354 20 0 JEADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001164704894 719885007 /nfs/dbraw/zinc/88/50/07/719885007.db2.gz XBBRXYWKDDCHNW-MCIONIFRSA-N 0 0 482.875 2.499 20 0 JEADRN O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)C[C@@H]21 ZINC001164697435 719885373 /nfs/dbraw/zinc/88/53/73/719885373.db2.gz BSCYSLWAJDNKDU-GRYCIOLGSA-N 0 0 481.916 2.498 20 0 JEADRN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001164708355 719903020 /nfs/dbraw/zinc/90/30/20/719903020.db2.gz AIFOEIUMKNAZBF-UHFFFAOYSA-N 0 0 495.609 2.066 20 0 JEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164708405 719910725 /nfs/dbraw/zinc/91/07/25/719910725.db2.gz CNJAZVNAUUIVMV-UHFFFAOYSA-N 0 0 481.988 2.393 20 0 JEADRN O=C([C@@H]1COC[C@@H]2CN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164706313 719914578 /nfs/dbraw/zinc/91/45/78/719914578.db2.gz HMICZKOBYXFPAX-MDNUFGMLSA-N 0 0 463.582 2.288 20 0 JEADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@H]3C2)cnc1Cl ZINC001164706655 719915181 /nfs/dbraw/zinc/91/51/81/719915181.db2.gz JMXSDHUJCHLRLX-UHOFOFEASA-N 0 0 459.877 2.319 20 0 JEADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)c1 ZINC001164704833 719918973 /nfs/dbraw/zinc/91/89/73/719918973.db2.gz UCXLBLPKTRWPMC-KFWWJZLASA-N 0 0 459.877 2.319 20 0 JEADRN O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc4c(Cl)ncnc4c3)C[C@H]21)N1CCCCO1 ZINC001164705865 719918989 /nfs/dbraw/zinc/91/89/89/719918989.db2.gz DUCUHWRXFMMPAR-NWANDNLSSA-N 0 0 453.877 2.476 20 0 JEADRN CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c2c1 ZINC001164709161 719921105 /nfs/dbraw/zinc/92/11/05/719921105.db2.gz ZXUDBJPPBIYRGC-UHFFFAOYSA-N 0 0 497.987 2.144 20 0 JEADRN CCOC(=O)c1sc2nc(C)nc(N3CCc4c(C(=O)N5CCN(C)CC5)nn(C)c4C3)c2c1C ZINC001164708644 719922595 /nfs/dbraw/zinc/92/25/95/719922595.db2.gz OIPDJIVJAMUDTD-UHFFFAOYSA-N 0 0 497.625 2.169 20 0 JEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)CC2 ZINC001164708324 719937774 /nfs/dbraw/zinc/93/77/74/719937774.db2.gz JAMBFEKZOVOOFL-UHFFFAOYSA-N 0 0 475.327 2.497 20 0 JEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)COC(=O)Nc1cccnc1Cl)CC2 ZINC001164708815 719937856 /nfs/dbraw/zinc/93/78/56/719937856.db2.gz SBYJAAMREUMKDD-UHFFFAOYSA-N 0 0 497.934 2.056 20 0 JEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164704831 720048029 /nfs/dbraw/zinc/04/80/29/720048029.db2.gz UBZZHDQUXWGDIM-UHFFFAOYSA-N 0 0 451.962 2.481 20 0 JEADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)Cc1nc3c(ncnc3Cl)s1)CC2 ZINC001164714783 720049831 /nfs/dbraw/zinc/04/98/31/720049831.db2.gz RFVDSIRZMAYKDH-UHFFFAOYSA-N 0 0 496.975 2.054 20 0 JEADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC001164714204 720050427 /nfs/dbraw/zinc/05/04/27/720050427.db2.gz PUMUXURZYYHCHF-MAZHCROVSA-N 0 0 496.902 2.055 20 0 JEADRN 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CCNS(=O)(=O)c1ccc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)nc1 ZINC001164787074 721366756 /nfs/dbraw/zinc/36/67/56/721366756.db2.gz YKGZUVCJQNAUOE-QFIPXVFZSA-N 0 0 463.604 2.104 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3OCC(=O)N(c4cccc(F)c4)[C@@H]3C2)cnc1Cl ZINC001164882207 721368228 /nfs/dbraw/zinc/36/82/28/721368228.db2.gz HPUKRPFYHACOBB-HUUCEWRRSA-N 0 0 475.876 2.443 20 0 JEADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001164887382 721370158 /nfs/dbraw/zinc/37/01/58/721370158.db2.gz QQMKHYZGIZGGJE-GOSISDBHSA-N 0 0 454.865 2.219 20 0 JEADRN Cn1cc(N2C[C@@]3(CCN(c4nc(CN5CCOCC5)nc5sc6c(c54)CCC6)C3)CC2=O)cn1 ZINC001164885464 721372761 /nfs/dbraw/zinc/37/27/61/721372761.db2.gz HZWRDCFSOHOXDH-VWLOTQADSA-N 0 0 493.637 2.379 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)COc2ccc(Cl)nn2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164788373 721381278 /nfs/dbraw/zinc/38/12/78/721381278.db2.gz YUXQXKKZLKAVPW-HDMKZQKVSA-N 0 0 453.877 2.406 20 0 JEADRN COc1cc(C(F)(F)N2C[C@@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@H]3C2)nc(Cl)n1 ZINC001164782025 721382230 /nfs/dbraw/zinc/38/22/30/721382230.db2.gz LHLHJTOZQLTNCK-JJRVBVJISA-N 0 0 453.877 2.492 20 0 JEADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)nc1Cl ZINC001164789809 721478878 /nfs/dbraw/zinc/47/88/78/721478878.db2.gz CUHPLBSMFLURMI-QEJZJMRPSA-N 0 0 474.892 2.247 20 0 JEADRN CN1CCc2nc(Cl)nc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)c2C1 ZINC001164899145 721479972 /nfs/dbraw/zinc/47/99/72/721479972.db2.gz YKKGVYVOFMXGRA-ZMSDIMECSA-N 0 0 451.974 2.167 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)nc1Cl ZINC001164790871 721480283 /nfs/dbraw/zinc/48/02/83/721480283.db2.gz HBMHCYCGZIZUBZ-YUELXQCFSA-N 0 0 459.877 2.462 20 0 JEADRN COC(=O)c1cc(C(F)(F)N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)cnc1Cl ZINC001164793915 721480289 /nfs/dbraw/zinc/48/02/89/721480289.db2.gz ZTCDGZIOSXBIIU-IMJJTQAJSA-N 0 0 459.877 2.462 20 0 JEADRN COC(=O)c1cc(C(F)(F)N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cnc1Cl ZINC001164793916 721480340 /nfs/dbraw/zinc/48/03/40/721480340.db2.gz ZTCDGZIOSXBIIU-KBMXLJTQSA-N 0 0 459.877 2.462 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)c(Cl)n1 ZINC001164792145 721480872 /nfs/dbraw/zinc/48/08/72/721480872.db2.gz MDUXONPNDQPIAZ-ZENOOKHLSA-N 0 0 459.877 2.462 20 0 JEADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)c1 ZINC001164791435 721481173 /nfs/dbraw/zinc/48/11/73/721481173.db2.gz IOXYXUGLWRLKEA-KFWWJZLASA-N 0 0 459.877 2.462 20 0 JEADRN O=C([C@@H]1CCO[C@@H]2CCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C[C@@H]21)N1CCCO1 ZINC001164792342 721482513 /nfs/dbraw/zinc/48/25/13/721482513.db2.gz MPFASBWFJFZTSF-FORMXFIPSA-N 0 0 464.872 2.331 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)cnc1Cl ZINC001164893922 721485345 /nfs/dbraw/zinc/48/53/45/721485345.db2.gz GCWLCQHSOKQOIM-KBXCAEBGSA-N 0 0 463.934 2.053 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2Cc3nccn3C[C@H](Cn3cccn3)C2)cnc1Cl ZINC001164897875 721487954 /nfs/dbraw/zinc/48/79/54/721487954.db2.gz UVTGOGWPPUDPNU-ZDUSSCGKSA-N 0 0 456.906 2.413 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807989 721571675 /nfs/dbraw/zinc/57/16/75/721571675.db2.gz UFTCNNGPMNUCOQ-RCCFBDPRSA-N 0 0 487.960 2.191 20 0 JEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)n1 ZINC001164800243 721593780 /nfs/dbraw/zinc/59/37/80/721593780.db2.gz ODQALDZOJOPFRF-SFHVURJKSA-N 0 0 473.933 2.441 20 0 JEADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001164800209 721594236 /nfs/dbraw/zinc/59/42/36/721594236.db2.gz NQNMDQQJVFRIIW-SFHVURJKSA-N 0 0 472.901 2.079 20 0 JEADRN CN(C)c1cc(C(F)(F)N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)nc(Cl)n1 ZINC001164796060 721594523 /nfs/dbraw/zinc/59/45/23/721594523.db2.gz BHJVRSOYMUETKO-GOSISDBHSA-N 0 0 473.933 2.441 20 0 JEADRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)Oc2ccc3c(Cl)ncnc3c2)O1)N1CCOCC1 ZINC001164796963 721596036 /nfs/dbraw/zinc/59/60/36/721596036.db2.gz FGPYCYGJAQDCLT-IKGGRYGDSA-N 0 0 454.861 2.303 20 0 JEADRN O=C([C@@H]1C[C@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)O1)N1CCOCC1 ZINC001164797735 721596241 /nfs/dbraw/zinc/59/62/41/721596241.db2.gz HWIGLIRIRGGTQA-JYJNAYRXSA-N 0 0 465.888 2.332 20 0 JEADRN O=C(N[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164798542 721597737 /nfs/dbraw/zinc/59/77/37/721597737.db2.gz JPZSIUAYPLOOAA-QIJUGHKUSA-N 0 0 491.983 2.112 20 0 JEADRN O=C(N[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164800938 721597839 /nfs/dbraw/zinc/59/78/39/721597839.db2.gz PSJAACGCEQOIML-IOMROCGXSA-N 0 0 477.956 2.069 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)c2nc(Cl)c3cccc(F)c3n2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164803629 721597843 /nfs/dbraw/zinc/59/78/43/721597843.db2.gz XQFPXHUAMRGQFF-KCPJHIHWSA-N 0 0 464.835 2.391 20 0 JEADRN COc1ccc2nc(C(F)(F)N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)nc(Cl)c2c1 ZINC001164797495 721599081 /nfs/dbraw/zinc/59/90/81/721599081.db2.gz BJAYRDZEUWVWKY-COXVUDFISA-N 0 0 476.871 2.260 20 0 JEADRN COc1ccc2nc(C(F)(F)N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@@H]43)nc(Cl)c2c1 ZINC001164797496 721599114 /nfs/dbraw/zinc/59/91/14/721599114.db2.gz BJAYRDZEUWVWKY-JQFCIGGWSA-N 0 0 476.871 2.260 20 0 JEADRN Cc1cccc(CN2CCO[C@@H]3CN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)CC[C@H]3C2=O)n1 ZINC001164798513 721603167 /nfs/dbraw/zinc/60/31/67/721603167.db2.gz HIDGNQVPRLVWTF-QZTJIDSGSA-N 0 0 452.889 2.476 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@@H]21)N1CCOCC1 ZINC001164797114 721604380 /nfs/dbraw/zinc/60/43/80/721604380.db2.gz AATYNVQVIJXDHI-UMVBOHGHSA-N 0 0 484.352 2.032 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21)N1CCOCC1 ZINC001164797990 721604730 /nfs/dbraw/zinc/60/47/30/721604730.db2.gz DRPNNVJMLWISCN-MBNYWOFBSA-N 0 0 484.352 2.032 20 0 JEADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)C1 ZINC001164800543 721605932 /nfs/dbraw/zinc/60/59/32/721605932.db2.gz MWOTVSTTWAKOPJ-LJQANCHMSA-N 0 0 452.893 2.222 20 0 JEADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccc3ncnc(Cl)c3c1)C2 ZINC001165011793 721722718 /nfs/dbraw/zinc/72/27/18/721722718.db2.gz UYBRALNNNAJSSB-UHFFFAOYSA-N 0 0 451.865 2.045 20 0 JEADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)C2 ZINC001165012040 721722801 /nfs/dbraw/zinc/72/28/01/721722801.db2.gz ZKIZXKBYIXPHKD-UHFFFAOYSA-N 0 0 451.865 2.045 20 0 JEADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)C2 ZINC001165010525 721723319 /nfs/dbraw/zinc/72/33/19/721723319.db2.gz IJHSUONETSGLNI-UHFFFAOYSA-N 0 0 451.865 2.045 20 0 JEADRN CC(=O)[N-]S(=O)(=O)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164912951 721731603 /nfs/dbraw/zinc/73/16/03/721731603.db2.gz RQJMFGMXOXDXPV-HXUWFJFHSA-N 0 0 465.526 2.039 20 0 JEADRN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(F)c(Cl)n1)CCC2 ZINC001165014360 721751286 /nfs/dbraw/zinc/75/12/86/721751286.db2.gz YXUMAHJGVWXBLY-UHFFFAOYSA-N 0 0 481.866 2.050 20 0 JEADRN O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]21 ZINC001165012782 721753895 /nfs/dbraw/zinc/75/38/95/721753895.db2.gz HAVUHVRRNQOZQM-OWCLPIDISA-N 0 0 491.930 2.488 20 0 JEADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1S(=O)(=O)N1CCOCC1)C2 ZINC001164910125 721758174 /nfs/dbraw/zinc/75/81/74/721758174.db2.gz NIENPVOQVCBGLA-UHFFFAOYSA-N 0 0 483.594 2.285 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)c(Cl)n1 ZINC001165012106 721759656 /nfs/dbraw/zinc/75/96/56/721759656.db2.gz AWTHRUCZRXRABL-UHFFFAOYSA-N 0 0 481.887 2.368 20 0 JEADRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(F)(F)c1nc(Cl)ccc1F)CC2 ZINC001165015554 721765216 /nfs/dbraw/zinc/76/52/16/721765216.db2.gz QYQBZYJDMFRJLW-UHFFFAOYSA-N 0 0 453.856 2.342 20 0 JEADRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1nc(Cl)ccc1CN1CCCC1)CC2 ZINC001165014712 721765858 /nfs/dbraw/zinc/76/58/58/721765858.db2.gz HWOIELVBABTQBM-UHFFFAOYSA-N 0 0 468.993 2.254 20 0 JEADRN O=C(c1cccnc1N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2)N1CCCCC1 ZINC001164911374 721770355 /nfs/dbraw/zinc/77/03/55/721770355.db2.gz GNZFWZUXTARKSB-VWLOTQADSA-N 0 0 451.571 2.211 20 0 JEADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001165015312 721771497 /nfs/dbraw/zinc/77/14/97/721771497.db2.gz KKTZQENZWGJLAT-FZMZJTMJSA-N 0 0 460.890 2.261 20 0 JEADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@H]32)c1 ZINC001165015311 721771589 /nfs/dbraw/zinc/77/15/89/721771589.db2.gz KKTZQENZWGJLAT-BXUZGUMPSA-N 0 0 460.890 2.261 20 0 JEADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)c1 ZINC001165015314 721771695 /nfs/dbraw/zinc/77/16/95/721771695.db2.gz KKTZQENZWGJLAT-SMDDNHRTSA-N 0 0 460.890 2.261 20 0 JEADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(CO[C@H](C(=O)N3CCOCC3)C2)C1 ZINC001165014921 721775712 /nfs/dbraw/zinc/77/57/12/721775712.db2.gz HHKMSBZKQFVURS-YWZLYKJASA-N 0 0 473.904 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CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3[C@H](C2)OCCN3c2ccc(C)nn2)nc1Cl ZINC001164775278 721308949 /nfs/dbraw/zinc/30/89/49/721308949.db2.gz BXMQMUMUYOPLGT-KGLIPLIRSA-N 0 0 454.865 2.044 20 0 JEADRN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]2C1 ZINC001164878478 721309267 /nfs/dbraw/zinc/30/92/67/721309267.db2.gz LGKZHQCCKSPDOE-RYUDHWBXSA-N 0 0 454.890 2.260 20 0 JEADRN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@@H]4OCCN(c5ccc(C)nn5)[C@H]4C3)c2c1C ZINC001164776409 721312393 /nfs/dbraw/zinc/31/23/93/721312393.db2.gz NRRYILRAFHMTIQ-OALUTQOASA-N 0 0 481.626 2.333 20 0 JEADRN Cc1sc2nc(CN3CCOCC3)nc(N3C[C@H]4OCCN(c5ccc(C)nn5)[C@@H]4C3)c2c1C ZINC001164776411 721312577 /nfs/dbraw/zinc/31/25/77/721312577.db2.gz NRRYILRAFHMTIQ-RTBURBONSA-N 0 0 481.626 2.333 20 0 JEADRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncnc2c1CN(Cc1ccccc1)CC2)c1ccnnc1 ZINC001164877264 721320816 /nfs/dbraw/zinc/32/08/16/721320816.db2.gz KUIDLKWSCSFASS-BUUDZMLXSA-N 0 0 485.592 2.239 20 0 JEADRN COc1cc(C(F)(F)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)cc(Cl)n1 ZINC001164878113 721320998 /nfs/dbraw/zinc/32/09/98/721320998.db2.gz MYNFQMYTPFTFTQ-CDHAZOANSA-N 0 0 453.877 2.492 20 0 JEADRN COC(=O)c1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)cnc1Cl ZINC001164874618 721321654 /nfs/dbraw/zinc/32/16/54/721321654.db2.gz COUNIZTXRJASIF-JCURWCKSSA-N 0 0 481.887 2.270 20 0 JEADRN COc1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)c(Cl)n1 ZINC001164877086 721322194 /nfs/dbraw/zinc/32/21/94/721322194.db2.gz JBHDWTGYQXVHEB-XGWLTEMNSA-N 0 0 453.877 2.492 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)c(Cl)n1 ZINC001164879307 721322270 /nfs/dbraw/zinc/32/22/70/721322270.db2.gz RLSDKCZESFWAQX-JCURWCKSSA-N 0 0 481.887 2.270 20 0 JEADRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)COc1cccc(Cl)n1)c1ccnnc1 ZINC001164878800 721322612 /nfs/dbraw/zinc/32/26/12/721322612.db2.gz PUNHBYIQWAFMIN-DHSIGJKJSA-N 0 0 453.877 2.406 20 0 JEADRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1cnc2c(Cl)ncnc2c1)c1ccnnc1 ZINC001164876470 721323139 /nfs/dbraw/zinc/32/31/39/721323139.db2.gz ICCHZTHEDBIKPX-BJOOFOGMSA-N 0 0 475.887 2.427 20 0 JEADRN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2C(F)(F)c1nc2ccc(Cl)nc2[nH]1)c1ccnnc1 ZINC001164880815 721323677 /nfs/dbraw/zinc/32/36/77/721323677.db2.gz ZYTOXUZOIJXYCN-HZUKXOBISA-N 0 0 463.876 2.360 20 0 JEADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)n1 ZINC001164877555 721333740 /nfs/dbraw/zinc/33/37/40/721333740.db2.gz VSRHKIVNHMQQMS-SCLBCKFNSA-N 0 0 462.950 2.489 20 0 JEADRN O=C(COC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)C2)N1CCCC1 ZINC001164885290 721335681 /nfs/dbraw/zinc/33/56/81/721335681.db2.gz PMPAVMQTNJTQQF-XOBRGWDASA-N 0 0 467.904 2.315 20 0 JEADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2C[C@@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)c1 ZINC001164888638 721335725 /nfs/dbraw/zinc/33/57/25/721335725.db2.gz XSQRGTPCKHPVDH-FOIQADDNSA-N 0 0 473.904 2.158 20 0 JEADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)c1 ZINC001164882914 721337501 /nfs/dbraw/zinc/33/75/01/721337501.db2.gz IRJXCYPAKLEMPS-YWZLYKJASA-N 0 0 473.904 2.158 20 0 JEADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3OCC[C@@]3(C(=O)NCC3CC3)C2)nc1Cl ZINC001164884252 721340103 /nfs/dbraw/zinc/34/01/03/721340103.db2.gz NOSSBYGUCSRITA-IFXJQAMLSA-N 0 0 458.893 2.363 20 0 JEADRN CCOC(=O)c1nnc(SC)nc1N1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164778257 721342807 /nfs/dbraw/zinc/34/28/07/721342807.db2.gz LTGPKNJHTWGXJR-QFIPXVFZSA-N 0 0 476.603 2.494 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3OCC(=O)N(c4cccc(F)c4)[C@H]3C2)cnc1Cl ZINC001164882206 721368327 /nfs/dbraw/zinc/36/83/27/721368327.db2.gz HPUKRPFYHACOBB-GJZGRUSLSA-N 0 0 475.876 2.443 20 0 JEADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccnc(-n4ccccc4=O)n3)C2)C1 ZINC001164782199 721368338 /nfs/dbraw/zinc/36/83/38/721368338.db2.gz LAOCMVSQMUEJFY-DEOSSOPVSA-N 0 0 450.543 2.351 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cnc1Cl ZINC001164892275 721378241 /nfs/dbraw/zinc/37/82/41/721378241.db2.gz SQKQSVSDGOITMY-MRXNPFEDSA-N 0 0 471.979 2.468 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)COc2cncc(Cl)n2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164785334 721381193 /nfs/dbraw/zinc/38/11/93/721381193.db2.gz RDCGUYMYXMWLOM-HDMKZQKVSA-N 0 0 453.877 2.406 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)COc2cncc(Cl)n2)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164785333 721381209 /nfs/dbraw/zinc/38/12/09/721381209.db2.gz RDCGUYMYXMWLOM-DAYGRLMNSA-N 0 0 453.877 2.406 20 0 JEADRN COc1nc(Cl)ncc1C(F)(F)N1C[C@@H](NC(=O)c2cccnc2)[C@@H]2OCCC[C@H]2C1 ZINC001164780131 721381366 /nfs/dbraw/zinc/38/13/66/721381366.db2.gz DVRUDYMOPPUDPZ-NUEKZKHPSA-N 0 0 453.877 2.492 20 0 JEADRN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2OCC[C@H](C(=O)N3CCCO3)[C@H]2C1 ZINC001164793475 721478968 /nfs/dbraw/zinc/47/89/68/721478968.db2.gz WAWNTNWNIWYRCG-CFVMTHIKSA-N 0 0 474.892 2.247 20 0 JEADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2OCC[C@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001164792064 721480782 /nfs/dbraw/zinc/48/07/82/721480782.db2.gz LEPOKHIPHRAJBT-YDHLFZDLSA-N 0 0 459.877 2.462 20 0 JEADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1 ZINC001164792063 721480857 /nfs/dbraw/zinc/48/08/57/721480857.db2.gz LEPOKHIPHRAJBT-NFAWXSAZSA-N 0 0 459.877 2.462 20 0 JEADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)c1 ZINC001164791440 721481242 /nfs/dbraw/zinc/48/12/42/721481242.db2.gz IOXYXUGLWRLKEA-KKUMJFAQSA-N 0 0 459.877 2.462 20 0 JEADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@H]3COC[C@]3(CC(=O)NCC3CC3)C2)cnc1Cl ZINC001164898154 721485356 /nfs/dbraw/zinc/48/53/56/721485356.db2.gz VSUIRZIERHNKGR-KXBFYZLASA-N 0 0 477.961 2.443 20 0 JEADRN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)CC2 ZINC001164899531 721501719 /nfs/dbraw/zinc/50/17/19/721501719.db2.gz YXJVXNKGQIWKDP-OAHLLOKOSA-N 0 0 480.965 2.075 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc3scnc3c(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164799030 721542497 /nfs/dbraw/zinc/54/24/97/721542497.db2.gz AKQPQHDREPKJBC-GGPKGHCWSA-N 0 0 467.599 2.186 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164804728 721576405 /nfs/dbraw/zinc/57/64/05/721576405.db2.gz MOXOJFYVEOOSEL-BDTNDASRSA-N 0 0 464.618 2.335 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(C(=O)N3CCOCC3)cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164802558 721581159 /nfs/dbraw/zinc/58/11/59/721581159.db2.gz GIGNLYFAZCMLAL-BDTNDASRSA-N 0 0 471.989 2.471 20 0 JEADRN CS(=O)(=O)c1cc(C(F)(F)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cnc1Cl ZINC001164904577 721581291 /nfs/dbraw/zinc/58/12/91/721581291.db2.gz RJWHLVWVODXKLP-GOSISDBHSA-N 0 0 473.933 2.349 20 0 JEADRN Cc1cc(C(F)(F)N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)c(Cl)nn1 ZINC001164901847 721582374 /nfs/dbraw/zinc/58/23/74/721582374.db2.gz BMOOAUMKOOYCCN-OAHLLOKOSA-N 0 0 454.909 2.455 20 0 JEADRN COc1cccc(CN2C[C@H]3CCN(c4ccc(CN5CCOCC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164805038 721592369 /nfs/dbraw/zinc/59/23/69/721592369.db2.gz KEWNSASRYRTIFW-ISKFKSNPSA-N 0 0 486.638 2.353 20 0 JEADRN CN(C)c1cc(C(F)(F)N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)nc(Cl)n1 ZINC001164796061 721594427 /nfs/dbraw/zinc/59/44/27/721594427.db2.gz BHJVRSOYMUETKO-SFHVURJKSA-N 0 0 473.933 2.441 20 0 JEADRN C[Si](C)(C)c1ccc(C(F)(F)N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)nc1Cl ZINC001164798730 721595784 /nfs/dbraw/zinc/59/57/84/721595784.db2.gz LFFUWCVRMIAEHH-KKUMJFAQSA-N 0 0 459.997 2.420 20 0 JEADRN CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)c(Cl)n1 ZINC001164800955 721596068 /nfs/dbraw/zinc/59/60/68/721596068.db2.gz PUNNAPASXVOYQC-HRCADAONSA-N 0 0 459.877 2.052 20 0 JEADRN O=C([C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)Oc2ccc3c(Cl)ncnc3c2)O1)N1CCOCC1 ZINC001164796962 721596073 /nfs/dbraw/zinc/59/60/73/721596073.db2.gz FGPYCYGJAQDCLT-BBWFWOEESA-N 0 0 454.861 2.303 20 0 JEADRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)O1)N1CCOCC1 ZINC001164797739 721596315 /nfs/dbraw/zinc/59/63/15/721596315.db2.gz HWIGLIRIRGGTQA-PMPSAXMXSA-N 0 0 465.888 2.332 20 0 JEADRN COc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)nc(Cl)c2c1 ZINC001164802205 721596409 /nfs/dbraw/zinc/59/64/09/721596409.db2.gz UJLNWCSQFJLTMN-IXDOHACOSA-N 0 0 468.888 2.432 20 0 JEADRN O=C(N[C@@H]1CN(c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164800944 721597773 /nfs/dbraw/zinc/59/77/73/721597773.db2.gz PSJAACGCEQOIML-UIFIKXQLSA-N 0 0 477.956 2.069 20 0 JEADRN Cc1cccc(CN2CCO[C@H]3CN(C(F)(F)c4nc5[nH]cnc5c(Cl)n4)CC[C@@H]3C2=O)n1 ZINC001164804190 721603012 /nfs/dbraw/zinc/60/30/12/721603012.db2.gz XVHBBGAFWXBXBB-GJZGRUSLSA-N 0 0 477.903 2.460 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]21)N1CCOCC1 ZINC001164804889 721605462 /nfs/dbraw/zinc/60/54/62/721605462.db2.gz ZXXQEDFWDRMGTQ-NJAFHUGGSA-N 0 0 489.972 2.256 20 0 JEADRN COc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(S(C)(=O)=O)n1 ZINC001164908072 721705409 /nfs/dbraw/zinc/70/54/09/721705409.db2.gz VBCPXHFAZIWYCH-IBGZPJMESA-N 0 0 453.515 2.021 20 0 JEADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@H]2C1 ZINC001165012427 721753912 /nfs/dbraw/zinc/75/39/12/721753912.db2.gz DDWUESDJNLPHBT-SUMDDJOVSA-N 0 0 493.942 2.364 20 0 JEADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3cc(C4CC4)nnc3Cl)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165012626 721757811 /nfs/dbraw/zinc/75/78/11/721757811.db2.gz FWMYSVDZCMBCIC-ZACQAIPSSA-N 0 0 452.893 2.452 20 0 JEADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)[C@H]3CCCO[C@@H]23)cn1 ZINC001165013525 721757825 /nfs/dbraw/zinc/75/78/25/721757825.db2.gz NGRRHMRGBNNSBW-IPYPFGDCSA-N 0 0 451.865 2.056 20 0 JEADRN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001165015313 721771667 /nfs/dbraw/zinc/77/16/67/721771667.db2.gz KKTZQENZWGJLAT-RISCZKNCSA-N 0 0 460.890 2.261 20 0 JEADRN 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O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2C(F)(F)COc1cccc(Cl)n1)c1ccnnc1 ZINC001164878803 721322742 /nfs/dbraw/zinc/32/27/42/721322742.db2.gz PUNHBYIQWAFMIN-YEWWUXTCSA-N 0 0 453.877 2.406 20 0 JEADRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(F)(F)c1nc2ccc(Cl)nc2[nH]1)c1ccnnc1 ZINC001164880818 721323543 /nfs/dbraw/zinc/32/35/43/721323543.db2.gz ZYTOXUZOIJXYCN-SGIREYDYSA-N 0 0 463.876 2.360 20 0 JEADRN COC(=O)c1cc(C(F)(F)N2C[C@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)cnc1Cl ZINC001164876770 721334449 /nfs/dbraw/zinc/33/44/49/721334449.db2.gz PZQNUZIXVSSMFG-YWZLYKJASA-N 0 0 473.904 2.158 20 0 JEADRN O=C(COC[C@@]12COC[C@@H]1CN(C(F)(F)c1nc(Cl)ncc1Cl)C2)N1CCCC1 ZINC001164875530 721334627 /nfs/dbraw/zinc/33/46/27/721334627.db2.gz LXHSJAZCHLTVAJ-YVEFUNNKSA-N 0 0 451.301 2.420 20 0 JEADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164881791 721334952 /nfs/dbraw/zinc/33/49/52/721334952.db2.gz BARMDIJVXYNRIJ-JLTOFOAXSA-N 0 0 473.904 2.158 20 0 JEADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1C[C@@H]2COC[C@@]2(COCC(=O)N2CCCC2)C1 ZINC001164878043 721335001 /nfs/dbraw/zinc/33/50/01/721335001.db2.gz YCBGVFGDIKEMOT-JLTOFOAXSA-N 0 0 473.904 2.158 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)c(Cl)n1 ZINC001164884220 721335220 /nfs/dbraw/zinc/33/52/20/721335220.db2.gz NKACMDCAMGYASH-VBKZILBWSA-N 0 0 473.904 2.158 20 0 JEADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@@]3(COCC(=O)N3CCCC3)C2)c1 ZINC001164882912 721337401 /nfs/dbraw/zinc/33/74/01/721337401.db2.gz IRJXCYPAKLEMPS-MGPUTAFESA-N 0 0 473.904 2.158 20 0 JEADRN CCOC(=O)c1nnc(SC)nc1N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164778253 721342624 /nfs/dbraw/zinc/34/26/24/721342624.db2.gz LTGPKNJHTWGXJR-JOCHJYFZSA-N 0 0 476.603 2.494 20 0 JEADRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3Cl)C2)C1 ZINC001164776385 721346253 /nfs/dbraw/zinc/34/62/53/721346253.db2.gz AYLDKMZFAVEKLA-FQEVSTJZSA-N 0 0 469.995 2.106 20 0 JEADRN CCOC(=O)c1cnc(OC)nc1N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164779803 721347358 /nfs/dbraw/zinc/34/73/58/721347358.db2.gz WVCNPKAYJYZKLR-HSZRJFAPSA-N 0 0 459.547 2.386 20 0 JEADRN COC(=O)CSc1cncc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164786045 721369823 /nfs/dbraw/zinc/36/98/23/721369823.db2.gz VBGASVPRFNJQLV-JOCHJYFZSA-N 0 0 461.588 2.466 20 0 JEADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4cnn(C)c4)C3)C2)nc1Cl ZINC001164886031 721370075 /nfs/dbraw/zinc/37/00/75/721370075.db2.gz JYYHGDVNIXHVEF-GOSISDBHSA-N 0 0 454.865 2.219 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)c2nc3[nH]cnc3c(Cl)n2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164780694 721381153 /nfs/dbraw/zinc/38/11/53/721381153.db2.gz ICVGTFPZLBQTPK-GZBFAFLISA-N 0 0 463.876 2.312 20 0 JEADRN COc1nc(Cl)ncc1C(F)(F)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001164780130 721381288 /nfs/dbraw/zinc/38/12/88/721381288.db2.gz DVRUDYMOPPUDPZ-IMJJTQAJSA-N 0 0 453.877 2.492 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)COc2ccc(Cl)nn2)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164788371 721381324 /nfs/dbraw/zinc/38/13/24/721381324.db2.gz YUXQXKKZLKAVPW-DAYGRLMNSA-N 0 0 453.877 2.406 20 0 JEADRN O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@H](CCN2[C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)O1 ZINC001164889926 721458644 /nfs/dbraw/zinc/45/86/44/721458644.db2.gz PSBXLVHFOUREOQ-YDSTWLSQSA-N 0 0 492.983 2.255 20 0 JEADRN O=C(NCc1cc(=O)n2c(n1)CN(C(F)(F)Oc1cnc(Cl)cn1)CCC2)c1ccco1 ZINC001164894493 721471502 /nfs/dbraw/zinc/47/15/02/721471502.db2.gz NHBZFTSXHGOEBV-UHFFFAOYSA-N 0 0 466.832 2.045 20 0 JEADRN O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]12)N1CCCO1 ZINC001164793103 721479844 /nfs/dbraw/zinc/47/98/44/721479844.db2.gz SIFHHQRSUPYVBM-LGVFNWMJSA-N 0 0 463.582 2.430 20 0 JEADRN CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3COC[C@@]3(CC(=O)NCC3CC3)C2)nc1Cl ZINC001164897217 721480165 /nfs/dbraw/zinc/48/01/65/721480165.db2.gz RTRRFNRLEWHKQI-BFUOFWGJSA-N 0 0 458.893 2.221 20 0 JEADRN O=C([C@@H]1CCO[C@H]2CCN(c3ncnc4c3CCN(Cc3ccccc3)C4)C[C@@H]12)N1CCCO1 ZINC001164789079 721480562 /nfs/dbraw/zinc/48/05/62/721480562.db2.gz ASYXNJBIPMQDSG-SFLYRZDNSA-N 0 0 463.582 2.430 20 0 JEADRN O=C(C[C@]12COC[C@@H]1CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2)NCC1CC1 ZINC001164899634 721483394 /nfs/dbraw/zinc/48/33/94/721483394.db2.gz ZPGRUFOAUTUDBN-QYBDOPJKSA-N 0 0 497.665 2.381 20 0 JEADRN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)cnc1Cl ZINC001164793719 721483980 /nfs/dbraw/zinc/48/39/80/721483980.db2.gz YAOWUIFYAAWHPF-XHSDSOJGSA-N 0 0 493.960 2.469 20 0 JEADRN c1csc(N2[C@@H]3CCN(c4ccc(CN5CCOCC5)cn4)C[C@H]3C[C@H]2Cn2cncn2)n1 ZINC001164896340 721493435 /nfs/dbraw/zinc/49/34/35/721493435.db2.gz AGCPARHLYYYAGW-QHAWAJNXSA-N 0 0 466.615 2.136 20 0 JEADRN F[C@H](Oc1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)N2c2nccs2)C1 ZINC001164901552 721495292 /nfs/dbraw/zinc/49/52/92/721495292.db2.gz WKLCDTFECJYAET-CFAJVAMVSA-N 0 0 450.931 2.480 20 0 JEADRN CN1CCc2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)N4c4nccs4)C3)c2C1 ZINC001164900624 721495677 /nfs/dbraw/zinc/49/56/77/721495677.db2.gz RBUNMROHWDGJJJ-HDMKZQKVSA-N 0 0 472.022 2.340 20 0 JEADRN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804732 721563561 /nfs/dbraw/zinc/56/35/61/721563561.db2.gz MPKCIUAHFZRNAG-ABSDTBQOSA-N 0 0 485.976 2.306 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164801611 721566963 /nfs/dbraw/zinc/56/69/63/721566963.db2.gz GYHSEUACWYSTSC-SJBKTWHCSA-N 0 0 457.600 2.129 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(c2ncccc2S(=O)(=O)N2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164801608 721567012 /nfs/dbraw/zinc/56/70/12/721567012.db2.gz GYHSEUACWYSTSC-KCZVDYSFSA-N 0 0 457.600 2.129 20 0 JEADRN CCOC(=O)c1nc2ccn(C)c2c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164810482 721571619 /nfs/dbraw/zinc/57/16/19/721571619.db2.gz YMDOJHDPBYBXBF-DYXWJJEUSA-N 0 0 450.543 2.408 20 0 JEADRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1 ZINC001164806921 721577481 /nfs/dbraw/zinc/57/74/81/721577481.db2.gz NQGXKPMIWCIOKF-GIWBLDEGSA-N 0 0 459.616 2.375 20 0 JEADRN CCOC(=O)N1CCc2nnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc2C1 ZINC001164806219 721578604 /nfs/dbraw/zinc/57/86/04/721578604.db2.gz MKQMGOOXCSWPKJ-FUPPJEDESA-N 0 0 452.559 2.254 20 0 JEADRN COc1cccc(CN2C[C@@H]3CCN(c4ccc(CN5CCOCC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164805039 721592445 /nfs/dbraw/zinc/59/24/45/721592445.db2.gz KEWNSASRYRTIFW-LADGPHEKSA-N 0 0 486.638 2.353 20 0 JEADRN O=C([C@@H]1C[C@@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)O1)N1CCOCC1 ZINC001164797737 721596244 /nfs/dbraw/zinc/59/62/44/721596244.db2.gz HWIGLIRIRGGTQA-OAGGEKHMSA-N 0 0 465.888 2.332 20 0 JEADRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)nc(-c3ccccn3)n2)O1)N1CCOCC1 ZINC001164799391 721596378 /nfs/dbraw/zinc/59/63/78/721596378.db2.gz LMSHNRDALZAVTO-PMPSAXMXSA-N 0 0 465.888 2.332 20 0 JEADRN COc1ccc2nc(C(F)(F)N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)nc(Cl)c2c1 ZINC001164802209 721596505 /nfs/dbraw/zinc/59/65/05/721596505.db2.gz UJLNWCSQFJLTMN-YESZJQIVSA-N 0 0 468.888 2.432 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)c2nc(Cl)c3cc(F)ccc3n2)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164796961 721598102 /nfs/dbraw/zinc/59/81/02/721598102.db2.gz FGLQAVFWJLQROF-WQVCFCJDSA-N 0 0 464.835 2.391 20 0 JEADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)c2c1C ZINC001164802925 721598749 /nfs/dbraw/zinc/59/87/49/721598749.db2.gz UBZZDMUFARZBON-YTQUADARSA-N 0 0 479.610 2.328 20 0 JEADRN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H](NC(=O)c4cnccn4)[C@H]4COC[C@@H]43)c2c1C ZINC001164802918 721598895 /nfs/dbraw/zinc/59/88/95/721598895.db2.gz UBZZDMUFARZBON-NEWSRXKRSA-N 0 0 479.610 2.328 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]21)N1CCOCC1 ZINC001164803894 721604411 /nfs/dbraw/zinc/60/44/11/721604411.db2.gz WSOCYSMOHJKBES-HZSPNIEDSA-N 0 0 484.352 2.032 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21)N1CCOCC1 ZINC001164797989 721604714 /nfs/dbraw/zinc/60/47/14/721604714.db2.gz DRPNNVJMLWISCN-DYEKYZERSA-N 0 0 484.352 2.032 20 0 JEADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1 ZINC001164803297 721605184 /nfs/dbraw/zinc/60/51/84/721605184.db2.gz VDESHHSEPREJFR-SQWLQELKSA-N 0 0 496.001 2.100 20 0 JEADRN C[C@@H]1CN(c2ccnc(N3CCN(C)CC3)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009796 721691782 /nfs/dbraw/zinc/69/17/82/721691782.db2.gz RAAYUKPIMTYKOU-DRMXPCRNSA-N 0 0 451.575 2.026 20 0 JEADRN CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164906517 721696382 /nfs/dbraw/zinc/69/63/82/721696382.db2.gz NERUCENDUPMBKB-FQEVSTJZSA-N 0 0 462.526 2.494 20 0 JEADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)C2 ZINC001165010588 721722960 /nfs/dbraw/zinc/72/29/60/721722960.db2.gz JUEPHMGBAIPWCC-UHFFFAOYSA-N 0 0 451.865 2.045 20 0 JEADRN 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CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807981 721571311 /nfs/dbraw/zinc/57/13/11/721571311.db2.gz UFTCNNGPMNUCOQ-KSZLIROESA-N 0 0 487.960 2.191 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(C(F)(F)c2cc(S(N)(=O)=O)cnc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807987 721571561 /nfs/dbraw/zinc/57/15/61/721571561.db2.gz UFTCNNGPMNUCOQ-KZNAEPCWSA-N 0 0 487.960 2.191 20 0 JEADRN CN(Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)nc(N3CCCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164804731 721576426 /nfs/dbraw/zinc/57/64/26/721576426.db2.gz MOXOJFYVEOOSEL-YPAWHYETSA-N 0 0 464.618 2.335 20 0 JEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)n1 ZINC001164906042 721581663 /nfs/dbraw/zinc/58/16/63/721581663.db2.gz YPMOTFQFAAOLMJ-OAHLLOKOSA-N 0 0 483.951 2.213 20 0 JEADRN COc1cc(C(F)(F)N2Cc3nccn3C[C@H](COCC(=O)N3CCCC3)C2)nc(Cl)n1 ZINC001164904589 721582886 /nfs/dbraw/zinc/58/28/86/721582886.db2.gz RPUSKMLAWLAZAQ-AWEZNQCLSA-N 0 0 470.908 2.155 20 0 JEADRN O=C1CO[C@]2(CN1c1ccsc1)COCCN(C(F)(F)COc1ccc(Cl)nn1)C2 ZINC001164798562 721594233 /nfs/dbraw/zinc/59/42/33/721594233.db2.gz KCPXLFSFXMOFMT-QGZVFWFLSA-N 0 0 460.890 2.298 20 0 JEADRN O=C([C@@H]1C[C@H]2[C@@H](CCN2c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)O1)N1CCOCC1 ZINC001164800153 721594935 /nfs/dbraw/zinc/59/49/35/721594935.db2.gz NHGOCLBGRNBLSM-BDTNDASRSA-N 0 0 484.000 2.283 20 0 JEADRN O=C([C@@H]1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)O1)N1CCOCC1 ZINC001164797741 721596182 /nfs/dbraw/zinc/59/61/82/721596182.db2.gz HWIGLIRIRGGTQA-XHSDSOJGSA-N 0 0 465.888 2.332 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164802130 721598649 /nfs/dbraw/zinc/59/86/49/721598649.db2.gz RDIQFAREZAMRRW-KBRIMQKVSA-N 0 0 462.844 2.132 20 0 JEADRN O=C(N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(-c3cccnc3)n2)[C@@H]2COC[C@@H]12)c1cnccn1 ZINC001164801177 721598729 /nfs/dbraw/zinc/59/87/29/721598729.db2.gz OFUFKNOBAILHON-NUEKZKHPSA-N 0 0 473.871 2.161 20 0 JEADRN Cc1cccc(CN2CCO[C@H]3CN(C(F)(F)c4cnc(Cl)cc4C(N)=O)CC[C@H]3C2=O)n1 ZINC001164797185 721603028 /nfs/dbraw/zinc/60/30/28/721603028.db2.gz AMOQJFACUYMFDO-QAPCUYQASA-N 0 0 479.915 2.336 20 0 JEADRN Cc1cccc(CN2CCO[C@@H]3CN(c4nc(Cl)nc5c4CN(C)CC5)CC[C@H]3C2=O)n1 ZINC001164798307 721603247 /nfs/dbraw/zinc/60/32/47/721603247.db2.gz FQTUBUJVDFYSGI-YLJYHZDGSA-N 0 0 456.978 2.075 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@H]21)N1CCOCC1 ZINC001164797110 721604383 /nfs/dbraw/zinc/60/43/83/721604383.db2.gz AATYNVQVIJXDHI-IPYPFGDCSA-N 0 0 484.352 2.032 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21)N1CCOCC1 ZINC001164799976 721604391 /nfs/dbraw/zinc/60/43/91/721604391.db2.gz LPZOVNIEGYKMDQ-JMSVASOKSA-N 0 0 484.352 2.032 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@@H]21)N1CCOCC1 ZINC001164797548 721604441 /nfs/dbraw/zinc/60/44/41/721604441.db2.gz BTDRSEMRQCJZNH-BZPMIXESSA-N 0 0 484.352 2.032 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]21)N1CCOCC1 ZINC001164797571 721604630 /nfs/dbraw/zinc/60/46/30/721604630.db2.gz BZCAPNTZXVDQMV-XUJVJEKNSA-N 0 0 484.352 2.032 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]21)N1CCOCC1 ZINC001164797991 721604774 /nfs/dbraw/zinc/60/47/74/721604774.db2.gz DRPNNVJMLWISCN-YRGRVCCFSA-N 0 0 484.352 2.032 20 0 JEADRN CSc1ccc(C(F)(F)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)nc1Cl ZINC001164799482 721604876 /nfs/dbraw/zinc/60/48/76/721604876.db2.gz KVRLJDWIZPITOG-GZBFAFLISA-N 0 0 496.001 2.100 20 0 JEADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]21)N1CCOCC1 ZINC001164804881 721605328 /nfs/dbraw/zinc/60/53/28/721605328.db2.gz ZXXQEDFWDRMGTQ-BPQIPLTHSA-N 0 0 489.972 2.256 20 0 JEADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)C2 ZINC001165010932 721723095 /nfs/dbraw/zinc/72/30/95/721723095.db2.gz KWZLXKDNHIVFIQ-UHFFFAOYSA-N 0 0 451.865 2.045 20 0 JEADRN CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)C2 ZINC001165011787 721723396 /nfs/dbraw/zinc/72/33/96/721723396.db2.gz UWDVRHQNBGDYIK-UHFFFAOYSA-N 0 0 451.261 2.030 20 0 JEADRN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)ncc1F)CCC2 ZINC001165014342 721751370 /nfs/dbraw/zinc/75/13/70/721751370.db2.gz YRDOTZGZTMCODI-UHFFFAOYSA-N 0 0 481.866 2.050 20 0 JEADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2OCC[C@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001165012425 721753945 /nfs/dbraw/zinc/75/39/45/721753945.db2.gz DDWUESDJNLPHBT-IEZWGBDMSA-N 0 0 493.942 2.364 20 0 JEADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165012538 721755748 /nfs/dbraw/zinc/75/57/48/721755748.db2.gz DYXSSVFFMRJDQM-IIDMSEBBSA-N 0 0 481.935 2.175 20 0 JEADRN Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3nc4ccc(Cl)nc4[nH]3)[C@H]3CCCO[C@H]23)cn1 ZINC001165013528 721757734 /nfs/dbraw/zinc/75/77/34/721757734.db2.gz NGRRHMRGBNNSBW-VNHYZAJKSA-N 0 0 451.865 2.056 20 0 JEADRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001165014789 721765630 /nfs/dbraw/zinc/76/56/30/721765630.db2.gz IZPBVSZBFMOLIT-UHFFFAOYSA-N 0 0 465.892 2.125 20 0 JEADRN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001165017061 721766186 /nfs/dbraw/zinc/76/61/86/721766186.db2.gz ZPXWMLJLVMBQNC-UHFFFAOYSA-N 0 0 476.919 2.086 20 0 JEADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)n1 ZINC001164912901 721773767 /nfs/dbraw/zinc/77/37/67/721773767.db2.gz RORLFQPMBGKFAX-FQEVSTJZSA-N 0 0 468.936 2.244 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)nc1Cl ZINC001165017071 721775250 /nfs/dbraw/zinc/77/52/50/721775250.db2.gz QSRNASBALUZSHM-YWZLYKJASA-N 0 0 473.904 2.301 20 0 JEADRN COC(=O)c1ccc(C(F)(F)N2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)nc1Cl ZINC001165017068 721775265 /nfs/dbraw/zinc/77/52/65/721775265.db2.gz QSRNASBALUZSHM-QRWLVFNGSA-N 0 0 473.904 2.301 20 0 JEADRN O=C([C@@H]1C[C@]2(CO1)CCCN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)C2)N1CCOCC1 ZINC001165024786 721777525 /nfs/dbraw/zinc/77/75/25/721777525.db2.gz YYVHNXXPBRLPBC-IFXJQAMLSA-N 0 0 455.893 2.391 20 0 JEADRN CCOC(=O)c1cnc(C2CC2)nc1N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164915533 721782346 /nfs/dbraw/zinc/78/23/46/721782346.db2.gz KZVBVRWHQFCTKF-DEOSSOPVSA-N 0 0 453.543 2.034 20 0 JEADRN COc1cc2nc(C)nc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c2cc1OC ZINC001164916052 721782963 /nfs/dbraw/zinc/78/29/63/721782963.db2.gz OLSWNVBDHPHNNF-RUZDIDTESA-N 0 0 465.554 2.458 20 0 JEADRN CCOC(=O)c1ccc2ncnc(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)c2c1 ZINC001164917783 721783297 /nfs/dbraw/zinc/78/32/97/721783297.db2.gz ZGDGTPPFLOEKTD-RUZDIDTESA-N 0 0 463.538 2.309 20 0 JEADRN CSc1nc(Cl)cc(C(F)(F)N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)n1 ZINC001165024516 721786207 /nfs/dbraw/zinc/78/62/07/721786207.db2.gz XSFPGHLVAZOZTD-QGZVFWFLSA-N 0 0 450.939 2.487 20 0 JEADRN COC(=O)c1cc(C(F)(F)N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)cnc1Cl ZINC001165019158 721786791 /nfs/dbraw/zinc/78/67/91/721786791.db2.gz JSZQWWDHVBAYDP-LJQANCHMSA-N 0 0 461.893 2.157 20 0 JEADRN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001165019981 721787017 /nfs/dbraw/zinc/78/70/17/721787017.db2.gz LLJQXHNGFMCNCJ-AREMUKBSSA-N 0 0 465.598 2.125 20 0 JEADRN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN([C@@](F)(COc1cncc(Cl)n1)C(F)F)C2 ZINC001165025339 721787691 /nfs/dbraw/zinc/78/76/91/721787691.db2.gz VGBRBSPOLXSAPG-MOPGFXCFSA-N 0 0 466.888 2.026 20 0 JEADRN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001165023625 721788452 /nfs/dbraw/zinc/78/84/52/721788452.db2.gz PYLXCZIQCXWWHC-LJQANCHMSA-N 0 0 476.908 2.462 20 0 JEADRN CCOC(=O)c1cc2ccc(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)nc2[nH]1 ZINC001164914595 721789468 /nfs/dbraw/zinc/78/94/68/721789468.db2.gz FEAKATWOYRTWMX-DEOSSOPVSA-N 0 0 451.527 2.242 20 0 JEADRN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914628 721790171 /nfs/dbraw/zinc/79/01/71/721790171.db2.gz FSHQOGHFTVRBAK-RUZDIDTESA-N 0 0 469.586 2.061 20 0 JEADRN CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914629 721790409 /nfs/dbraw/zinc/79/04/09/721790409.db2.gz FSHQOGHFTVRBAK-VWLOTQADSA-N 0 0 469.586 2.061 20 0 JEADRN COc1ccc(CN2C(=O)CO[C@H]3CN(C(F)(F)c4ccc(C(N)=O)c(Cl)n4)C[C@H]32)cc1 ZINC001165021971 721794371 /nfs/dbraw/zinc/79/43/71/721794371.db2.gz OAFOGHQNAKAPTD-CVEARBPZSA-N 0 0 466.872 2.004 20 0 JEADRN FC(F)(COc1cncc(Cl)n1)N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164913895 721795482 /nfs/dbraw/zinc/79/54/82/721795482.db2.gz IKMAMORQNZPSRL-IBGZPJMESA-N 0 0 455.893 2.100 20 0 JEADRN CN(C)c1cc(C(F)(F)N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc(Cl)n1 ZINC001164915270 721799679 /nfs/dbraw/zinc/79/96/79/721799679.db2.gz VDNKIJUHIYGETH-FQEVSTJZSA-N 0 0 468.936 2.244 20 0 JEADRN COC(=O)c1cnc(Cl)cc1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2 ZINC001164919794 721822841 /nfs/dbraw/zinc/82/28/41/721822841.db2.gz 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