smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)O[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000000621841 551502896 /nfs/dbraw/zinc/50/28/96/551502896.db2.gz GCZABPLTDYVJMP-IMBSWCNGSA-N 0 0 504.491 3.583 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3Cl)c(=O)n2[C@H]1c1ccccc1 ZINC000000651598 1066879689 /nfs/dbraw/zinc/87/96/89/1066879689.db2.gz BZKBQPSLCXJGDW-FGGAIWKESA-N 0 0 504.999 3.556 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000680849 551524300 /nfs/dbraw/zinc/52/43/00/551524300.db2.gz CWKUJJBOSWSUKH-JGTYQCAFSA-N 0 0 543.041 3.868 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OCC)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000687912 551526355 /nfs/dbraw/zinc/52/63/55/551526355.db2.gz CTXGXADZYAMSRC-PZDOZLBDSA-N 0 0 573.465 3.674 40 0 KHABRN Cn1c2nc(SCC(=O)Nc3ccccc3)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000000725583 551538038 /nfs/dbraw/zinc/53/80/38/551538038.db2.gz RCBMICIOOWYACT-UHFFFAOYSA-N 0 0 511.607 3.724 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000000782775 551542374 /nfs/dbraw/zinc/54/23/74/551542374.db2.gz IJJKRIAARSTZNM-RLWLMLJZSA-N 0 0 547.660 3.843 40 0 KHABRN CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000000797073 551542898 /nfs/dbraw/zinc/54/28/98/551542898.db2.gz DTAWZXXFOWZESB-UHFFFAOYSA-N 0 0 516.558 3.819 40 0 KHABRN O=C(Nc1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)c1ccccc1Cl ZINC000000797288 551542925 /nfs/dbraw/zinc/54/29/25/551542925.db2.gz TZUSJJIUHIZGJY-UHFFFAOYSA-N 0 0 500.960 3.832 40 0 KHABRN Cn1c2nc(SCC(=O)Nc3cccc4ccccc43)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000000798877 551543170 /nfs/dbraw/zinc/54/31/70/551543170.db2.gz UCVNTOCZBJTJBR-UHFFFAOYSA-N 0 0 503.559 3.505 40 0 KHABRN COc1ccccc1N1CCN(C(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000000832126 551546281 /nfs/dbraw/zinc/54/62/81/551546281.db2.gz OJAHLINDSGVROX-UHFFFAOYSA-N 0 0 500.020 3.893 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccccc1 ZINC000000832132 551546276 /nfs/dbraw/zinc/54/62/76/551546276.db2.gz PITLRFJHSMUBIM-UHFFFAOYSA-N 0 0 530.046 3.901 40 0 KHABRN CCOC(=O)c1c2c(sc1NC(=S)NC(=O)c1c(I)cnn1C)C[C@@H](C)CC2 ZINC000000832650 551546296 /nfs/dbraw/zinc/54/62/96/551546296.db2.gz BVXXVJSLJOMMER-VIFPVBQESA-N 0 0 532.429 3.515 40 0 KHABRN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000835555 551546885 /nfs/dbraw/zinc/54/68/85/551546885.db2.gz KKCCECDXUJNZJP-SSEXGKCCSA-N 0 0 589.739 3.979 40 0 KHABRN Cn1c2ncn(C[C@@H](COCc3ccc(Cl)cc3)OCc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000000850392 551549863 /nfs/dbraw/zinc/54/98/63/551549863.db2.gz LMIBEDULNDGKHW-FQEVSTJZSA-N 0 0 503.386 3.543 40 0 KHABRN Cc1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000000854145 551550224 /nfs/dbraw/zinc/55/02/24/551550224.db2.gz GHNNFSJONIZXIS-UHFFFAOYSA-N 0 0 554.756 3.669 40 0 KHABRN O=C(Nc1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)c1ccc(Br)cc1 ZINC000000862388 551551529 /nfs/dbraw/zinc/55/15/29/551551529.db2.gz FULJBRGMAKALDV-UHFFFAOYSA-N 0 0 545.411 3.942 40 0 KHABRN O=C(c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O ZINC000000865534 551552337 /nfs/dbraw/zinc/55/23/37/551552337.db2.gz PBHXDSQOYKBFAU-UHFFFAOYSA-N 0 0 504.454 3.930 40 0 KHABRN Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(-n2nc3ccccc3n2)c1 ZINC000000866138 551552743 /nfs/dbraw/zinc/55/27/43/551552743.db2.gz NHIHWECBJUDLRO-UHFFFAOYSA-N 0 0 512.975 3.622 40 0 KHABRN Cc1c(N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000866406 551552919 /nfs/dbraw/zinc/55/29/19/551552919.db2.gz QMWLTKKRXTXYQN-UHFFFAOYSA-N 0 0 511.625 3.685 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4ccc(OC)cc4n23)cc1 ZINC000000877269 551554785 /nfs/dbraw/zinc/55/47/85/551554785.db2.gz MKWDESWYHJHRHT-UHFFFAOYSA-N 0 0 513.645 3.961 40 0 KHABRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)n3c2c1 ZINC000000877272 551554764 /nfs/dbraw/zinc/55/47/64/551554764.db2.gz NNPAFDSLWOCGGJ-UHFFFAOYSA-N 0 0 511.629 3.715 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(C)cc4cc(OC)ccc4n23)cc1 ZINC000000877290 551554833 /nfs/dbraw/zinc/55/48/33/551554833.db2.gz WSXAWWMRZJVMIM-UHFFFAOYSA-N 0 0 513.645 3.961 40 0 KHABRN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC ZINC000000879207 551555195 /nfs/dbraw/zinc/55/51/95/551555195.db2.gz OHOBOWBWSKETAY-UHFFFAOYSA-N 0 0 515.661 3.879 40 0 KHABRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000879212 551555564 /nfs/dbraw/zinc/55/55/64/551555564.db2.gz VXDDKNMJTRFUIR-UHFFFAOYSA-N 0 0 515.661 3.797 40 0 KHABRN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000879218 551555565 /nfs/dbraw/zinc/55/55/65/551555565.db2.gz JGJAOMXJQPXJKS-UHFFFAOYSA-N 0 0 513.645 3.683 40 0 KHABRN CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000879221 551555535 /nfs/dbraw/zinc/55/55/35/551555535.db2.gz RMNFRDWLSWNYQP-UHFFFAOYSA-N 0 0 513.645 3.683 40 0 KHABRN CCOc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc(OCC)ccc3[nH]c2=O)cc1 ZINC000000879385 551555494 /nfs/dbraw/zinc/55/54/94/551555494.db2.gz DLVBEBJNIZQNMW-UHFFFAOYSA-N 0 0 510.660 3.857 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)Nc3ccc(OC)cc3)cc2c1 ZINC000000879403 551555527 /nfs/dbraw/zinc/55/55/27/551555527.db2.gz RGTKLYUFHJDBBG-UHFFFAOYSA-N 0 0 510.660 3.857 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)Nc3ccccc3OC)cc2c1 ZINC000000879404 551555558 /nfs/dbraw/zinc/55/55/58/551555558.db2.gz XOPHUSGYVKZUCI-UHFFFAOYSA-N 0 0 510.660 3.857 40 0 KHABRN CCOc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000879706 551555502 /nfs/dbraw/zinc/55/55/02/551555502.db2.gz SMMWIBZOZHLLEA-UHFFFAOYSA-N 0 0 510.660 3.857 40 0 KHABRN CC(=O)N(c1ccc(N(C(C)=O)S(=O)(=O)c2ccccc2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000000879714 551555506 /nfs/dbraw/zinc/55/55/06/551555506.db2.gz BVSAYSMDXZMQDP-UHFFFAOYSA-N 0 0 506.989 3.824 40 0 KHABRN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 ZINC000000879762 551555809 /nfs/dbraw/zinc/55/58/09/551555809.db2.gz QFBHEUVRXCJAPS-JOCHJYFZSA-N 0 0 511.644 3.652 40 0 KHABRN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)[nH]c2c1 ZINC000000879764 551555796 /nfs/dbraw/zinc/55/57/96/551555796.db2.gz QFBHEUVRXCJAPS-QFIPXVFZSA-N 0 0 511.644 3.652 40 0 KHABRN CCOc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000880036 551555783 /nfs/dbraw/zinc/55/57/83/551555783.db2.gz VQAGFNVBCGMVBN-UHFFFAOYSA-N 0 0 510.660 3.857 40 0 KHABRN COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1 ZINC000000880102 551555788 /nfs/dbraw/zinc/55/57/88/551555788.db2.gz ZGOAMUVRFASUTM-JOCHJYFZSA-N 0 0 511.644 3.652 40 0 KHABRN COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCc3ccc(OC)c(OC)c3)cc2c1 ZINC000000880104 551555821 /nfs/dbraw/zinc/55/58/21/551555821.db2.gz ZGOAMUVRFASUTM-QFIPXVFZSA-N 0 0 511.644 3.652 40 0 KHABRN Cn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc21 ZINC000000882665 551556085 /nfs/dbraw/zinc/55/60/85/551556085.db2.gz UBSDLLJQMIZZNC-UHFFFAOYSA-N 0 0 510.645 3.812 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000885199 551557055 /nfs/dbraw/zinc/55/70/55/551557055.db2.gz WKHYVYVJALJAAQ-UHFFFAOYSA-N 0 0 508.644 3.544 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000885200 551557106 /nfs/dbraw/zinc/55/71/06/551557106.db2.gz COGDHLXJTWNIGZ-UHFFFAOYSA-N 0 0 508.644 3.544 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000885203 551557103 /nfs/dbraw/zinc/55/71/03/551557103.db2.gz JZWZZCOBOWUHJR-UHFFFAOYSA-N 0 0 522.671 3.853 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000885206 551557111 /nfs/dbraw/zinc/55/71/11/551557111.db2.gz SFCIUSGEJVSTJR-UHFFFAOYSA-N 0 0 522.671 3.853 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000885207 551557091 /nfs/dbraw/zinc/55/70/91/551557091.db2.gz WVPVGYXAIIAJIM-UHFFFAOYSA-N 0 0 522.671 3.853 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000885208 551557068 /nfs/dbraw/zinc/55/70/68/551557068.db2.gz FCPIEDOURVVKRT-UHFFFAOYSA-N 0 0 522.671 3.853 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000885211 551557120 /nfs/dbraw/zinc/55/71/20/551557120.db2.gz YQJXVLJLVVABEV-UHFFFAOYSA-N 0 0 522.671 3.853 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)Nc3ccccc3C(=O)OC)cc2c1 ZINC000000885215 551557061 /nfs/dbraw/zinc/55/70/61/551557061.db2.gz BTZYYTOANBWKTC-UHFFFAOYSA-N 0 0 538.670 3.635 40 0 KHABRN O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885713 551557607 /nfs/dbraw/zinc/55/76/07/551557607.db2.gz YLBQXQSODNLQHT-LEAFIULHSA-N 0 0 535.616 3.930 40 0 KHABRN O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885715 551557629 /nfs/dbraw/zinc/55/76/29/551557629.db2.gz YLBQXQSODNLQHT-LSYYVWMOSA-N 0 0 535.616 3.930 40 0 KHABRN O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885718 551557580 /nfs/dbraw/zinc/55/75/80/551557580.db2.gz YLBQXQSODNLQHT-LBNVMWSVSA-N 0 0 535.616 3.930 40 0 KHABRN O=C(NC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885765 551557992 /nfs/dbraw/zinc/55/79/92/551557992.db2.gz ZIHRJLJZIHQPMD-GJZUVCINSA-N 0 0 541.645 3.991 40 0 KHABRN O=C(NC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885767 551557996 /nfs/dbraw/zinc/55/79/96/551557996.db2.gz ZIHRJLJZIHQPMD-ATIYNZHBSA-N 0 0 541.645 3.991 40 0 KHABRN O=C(NC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885768 551558010 /nfs/dbraw/zinc/55/80/10/551558010.db2.gz ZIHRJLJZIHQPMD-NVQXNPDNSA-N 0 0 541.645 3.991 40 0 KHABRN O=C(NC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000000885770 551557998 /nfs/dbraw/zinc/55/79/98/551557998.db2.gz ZIHRJLJZIHQPMD-BKMJKUGQSA-N 0 0 541.645 3.991 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886040 551558438 /nfs/dbraw/zinc/55/84/38/551558438.db2.gz UQODJRHDZVEKGV-MHZLTWQESA-N 0 0 560.586 3.938 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886042 551558462 /nfs/dbraw/zinc/55/84/62/551558462.db2.gz UQODJRHDZVEKGV-HHHXNRCGSA-N 0 0 560.586 3.938 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000000886053 551558516 /nfs/dbraw/zinc/55/85/16/551558516.db2.gz KVFTYYZSTQSXQL-SANMLTNESA-N 0 0 532.576 3.910 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000000886055 551558470 /nfs/dbraw/zinc/55/84/70/551558470.db2.gz KVFTYYZSTQSXQL-AREMUKBSSA-N 0 0 532.576 3.910 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886059 551558507 /nfs/dbraw/zinc/55/85/07/551558507.db2.gz YNVWHQNIXQRSOF-DEOSSOPVSA-N 0 0 506.538 3.803 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886060 551558494 /nfs/dbraw/zinc/55/84/94/551558494.db2.gz YNVWHQNIXQRSOF-XMMPIXPASA-N 0 0 506.538 3.803 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886064 551558489 /nfs/dbraw/zinc/55/84/89/551558489.db2.gz GEXICBIGOSLAMB-MHZLTWQESA-N 0 0 560.586 3.985 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000000886065 551558653 /nfs/dbraw/zinc/55/86/53/551558653.db2.gz GEXICBIGOSLAMB-HHHXNRCGSA-N 0 0 560.586 3.985 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000000886105 551558640 /nfs/dbraw/zinc/55/86/40/551558640.db2.gz VHNSKHWLWNCBTB-VWLOTQADSA-N 0 0 518.574 3.672 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1 ZINC000000886118 551558660 /nfs/dbraw/zinc/55/86/60/551558660.db2.gz RRJSNAJILDFLJD-DEOSSOPVSA-N 0 0 520.615 3.832 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1 ZINC000000886120 551558709 /nfs/dbraw/zinc/55/87/09/551558709.db2.gz RRJSNAJILDFLJD-XMMPIXPASA-N 0 0 520.615 3.832 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000000886143 551558609 /nfs/dbraw/zinc/55/86/09/551558609.db2.gz VDGCJSBOPJLFGC-NDEPHWFRSA-N 0 0 588.621 3.555 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000000886145 551558667 /nfs/dbraw/zinc/55/86/67/551558667.db2.gz VDGCJSBOPJLFGC-MUUNZHRXSA-N 0 0 588.621 3.555 40 0 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551566182 /nfs/dbraw/zinc/56/61/82/551566182.db2.gz ATDYABXLFRALDI-JOCHJYFZSA-N 0 0 520.634 3.845 40 0 KHABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(C)cc1C ZINC000000903525 551566172 /nfs/dbraw/zinc/56/61/72/551566172.db2.gz ZZIQIBROFQQKRO-QFIPXVFZSA-N 0 0 520.634 3.845 40 0 KHABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 ZINC000000903564 551566425 /nfs/dbraw/zinc/56/64/25/551566425.db2.gz LPXUARHWEKYZTN-NRFANRHFSA-N 0 0 527.025 3.881 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000000903731 551566422 /nfs/dbraw/zinc/56/64/22/551566422.db2.gz IUUIZHGGXHMGLD-UHFFFAOYSA-N 0 0 520.634 3.963 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000903748 551566395 /nfs/dbraw/zinc/56/63/95/551566395.db2.gz BGBZYMGJOPCDLY-BVAGGSTKSA-N 0 0 532.576 3.759 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000903751 551566456 /nfs/dbraw/zinc/56/64/56/551566456.db2.gz BGBZYMGJOPCDLY-ZEQKJWHPSA-N 0 0 532.576 3.759 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000903757 551566437 /nfs/dbraw/zinc/56/64/37/551566437.db2.gz BGBZYMGJOPCDLY-JYFHCDHNSA-N 0 0 532.576 3.759 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000903799 551566381 /nfs/dbraw/zinc/56/63/81/551566381.db2.gz LCWMZVCLRUFNTE-YWEHKCAJSA-N 0 0 569.597 3.999 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000000903808 551566669 /nfs/dbraw/zinc/56/66/69/551566669.db2.gz LCWMZVCLRUFNTE-CUBQBAPOSA-N 0 0 569.597 3.999 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(O)cc3)n2)o1 ZINC000000903857 551566696 /nfs/dbraw/zinc/56/66/96/551566696.db2.gz UMWJVYNNTZLVOW-YWEHKCAJSA-N 0 0 567.606 3.565 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(O)cc3)n2)o1 ZINC000000903866 551566634 /nfs/dbraw/zinc/56/66/34/551566634.db2.gz UMWJVYNNTZLVOW-RBJSKKJNSA-N 0 0 567.606 3.565 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(C)c2)o1 ZINC000000903871 551566631 /nfs/dbraw/zinc/56/66/31/551566631.db2.gz UKOYVQSNFPVODM-SQHAQQRYSA-N 0 0 528.613 3.928 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(C)c2)o1 ZINC000000903873 551566700 /nfs/dbraw/zinc/56/67/00/551566700.db2.gz UKOYVQSNFPVODM-SHQCIBLASA-N 0 0 528.613 3.928 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(C)c2)o1 ZINC000000903875 551566646 /nfs/dbraw/zinc/56/66/46/551566646.db2.gz UKOYVQSNFPVODM-IGKIAQTJSA-N 0 0 528.613 3.928 40 0 KHABRN COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1 ZINC000000903893 551566676 /nfs/dbraw/zinc/56/66/76/551566676.db2.gz LSLRIMZCVIELOT-AJTFRIOCSA-N 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HUFIUXDMYKUUQX-BJKOFHAPSA-N 0 0 541.645 3.877 40 0 KHABRN COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000005461758 552502730 /nfs/dbraw/zinc/50/27/30/552502730.db2.gz HUFIUXDMYKUUQX-RPWUZVMVSA-N 0 0 541.645 3.877 40 0 KHABRN COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000005461764 552502706 /nfs/dbraw/zinc/50/27/06/552502706.db2.gz HUFIUXDMYKUUQX-DNQXCXABSA-N 0 0 541.645 3.877 40 0 KHABRN COc1cc2c(c(OC)c1OC)-c1ccc(S(=O)(=O)Cc3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000005640757 552505765 /nfs/dbraw/zinc/50/57/65/552505765.db2.gz KSNDMXLJXRUZJT-QFIPXVFZSA-N 0 0 523.607 3.837 40 0 KHABRN COc1cc(C(=O)CC2=N[C@H]3NN(c4ccccc4)C(=O)C3=C2CC(=O)c2ccc(O)c(OC)c2)ccc1O ZINC000005664094 552506293 /nfs/dbraw/zinc/50/62/93/552506293.db2.gz GTGDQARBZHECMH-NDEPHWFRSA-N 0 0 527.533 3.590 40 0 KHABRN CC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@H](N4C(=O)c5ccccc5C4=O)C(=O)O3)[C@@H]2N1C(=O)OCc1ccccc1 ZINC000005664202 552506263 /nfs/dbraw/zinc/50/62/63/552506263.db2.gz CXGPUZNHLBIXHC-BDZGNEFQSA-N 0 0 551.555 3.597 40 0 KHABRN CC1(C)C(=O)N2c3ccccc3[C@]3(C[C@H](N4C(=O)c5ccccc5C4=O)C(=O)O3)[C@H]2N1C(=O)OCc1ccccc1 ZINC000005664205 552506257 /nfs/dbraw/zinc/50/62/57/552506257.db2.gz CXGPUZNHLBIXHC-PEQYHHCYSA-N 0 0 551.555 3.597 40 0 KHABRN CC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@H](N4C(=O)c5ccccc5C4=O)C(=O)O3)[C@H]2N1C(=O)OCc1ccccc1 ZINC000005664206 552506264 /nfs/dbraw/zinc/50/62/64/552506264.db2.gz CXGPUZNHLBIXHC-HJASLDBZSA-N 0 0 551.555 3.597 40 0 KHABRN COc1cc([C@@H]2c3cc4c(c(OC(=O)c5ccccn5)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000005699583 552506743 /nfs/dbraw/zinc/50/67/43/552506743.db2.gz KUULVHUCUZTVRN-BJQRDSPESA-N 0 0 519.506 3.533 40 0 KHABRN COc1cc([C@H]2c3cc4c(c(OC(=O)c5ccccn5)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000005699585 552506773 /nfs/dbraw/zinc/50/67/73/552506773.db2.gz KUULVHUCUZTVRN-MPMWTEJESA-N 0 0 519.506 3.533 40 0 KHABRN COc1cc([C@@H]2c3cc4c(c(OC(=O)c5ccccn5)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000005699586 552506852 /nfs/dbraw/zinc/50/68/52/552506852.db2.gz KUULVHUCUZTVRN-IEKZBVHVSA-N 0 0 519.506 3.533 40 0 KHABRN COc1cc([C@H]2c3cc4c(c(OC(=O)c5ccccn5)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000005699588 552506841 /nfs/dbraw/zinc/50/68/41/552506841.db2.gz KUULVHUCUZTVRN-QABPDZFRSA-N 0 0 519.506 3.533 40 0 KHABRN CC(C)[C@H](NC(=O)[C@@H](CCCC[NH3+])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706723 552506862 /nfs/dbraw/zinc/50/68/62/552506862.db2.gz QOERQYGLLGWDIN-PKTZIBPZSA-N 0 0 513.591 3.685 40 0 KHABRN CC(C)[C@@H](NC(=O)[C@@H](CCCC[NH3+])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706724 552506764 /nfs/dbraw/zinc/50/67/64/552506764.db2.gz QOERQYGLLGWDIN-DHIUTWEWSA-N 0 0 513.591 3.685 40 0 KHABRN CC(C)[C@H](NC(=O)[C@H](CCCC[NH3+])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706725 552507168 /nfs/dbraw/zinc/50/71/68/552507168.db2.gz QOERQYGLLGWDIN-GOTSBHOMSA-N 0 0 513.591 3.685 40 0 KHABRN CC(C)[C@@H](NC(=O)[C@H](CCCC[NH3+])N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000005706726 552507184 /nfs/dbraw/zinc/50/71/84/552507184.db2.gz QOERQYGLLGWDIN-XZOQPEGZSA-N 0 0 513.591 3.685 40 0 KHABRN CCOC(=O)N1CCN([P@@](=O)(Nc2ccc3[nH]c(NC(=O)OC)nc3c2)Oc2ccccc2)CC1 ZINC000005723175 552507700 /nfs/dbraw/zinc/50/77/00/552507700.db2.gz UJLSCGKUDJOFCY-PGUFJCEWSA-N 0 0 502.468 3.536 40 0 KHABRN CCOC(=O)CC[C@@H](NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1)C(=O)OCC ZINC000005741877 552508447 /nfs/dbraw/zinc/50/84/47/552508447.db2.gz IQJJFBPDRPUVKR-OAQYLSRUSA-N 0 0 522.558 3.555 40 0 KHABRN O=C(COC(=O)[C@H](O)[C@H](O)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005742539 552508455 /nfs/dbraw/zinc/50/84/55/552508455.db2.gz RMDFHSAYMLJMGB-RNPORBBMSA-N 0 0 538.552 3.894 40 0 KHABRN O=C(COC(=O)[C@@H](O)[C@H](O)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005742541 552508460 /nfs/dbraw/zinc/50/84/60/552508460.db2.gz RMDFHSAYMLJMGB-KYJUHHDHSA-N 0 0 538.552 3.894 40 0 KHABRN O=C(COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005742542 552508440 /nfs/dbraw/zinc/50/84/40/552508440.db2.gz RMDFHSAYMLJMGB-LOYHVIPDSA-N 0 0 538.552 3.894 40 0 KHABRN Cc1cn([C@@H]2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O ZINC000005767830 552509211 /nfs/dbraw/zinc/50/92/11/552509211.db2.gz ZAKKKLNPSKOUDL-UFYCRDLUSA-N 0 0 519.337 3.522 40 0 KHABRN Cc1cn([C@@H]2C[C@@H](OC(=O)c3ccc(Cl)cc3)[C@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O ZINC000005767834 552509371 /nfs/dbraw/zinc/50/93/71/552509371.db2.gz ZAKKKLNPSKOUDL-AABGKKOBSA-N 0 0 519.337 3.522 40 0 KHABRN Cc1cn([C@H]2C[C@@H](OC(=O)c3ccc(Cl)cc3)[C@H](COC(=O)c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O ZINC000005767837 552509385 /nfs/dbraw/zinc/50/93/85/552509385.db2.gz ZAKKKLNPSKOUDL-HSALFYBXSA-N 0 0 519.337 3.522 40 0 KHABRN CN(COC(=O)c1ccccc1)c1nc(N(C)COC(=O)c2ccccc2)nc(N(C)COC(=O)c2ccccc2)n1 ZINC000005813493 552510139 /nfs/dbraw/zinc/51/01/39/552510139.db2.gz WEBQKVQHTMTCHV-UHFFFAOYSA-N 0 0 570.606 3.624 40 0 KHABRN CCOC(=O)CCNC(=O)c1cc(C)cc2c1Oc1c(cc(C)cc1C(=O)NCCC(=O)OCC)S2 ZINC000005822837 552510293 /nfs/dbraw/zinc/51/02/93/552510293.db2.gz YNRQEGRCFMMXQA-UHFFFAOYSA-N 0 0 514.600 3.926 40 0 KHABRN CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC(C)(C)C(=O)[C@]3(OC(C)=O)C[C@@]12C ZINC000005839381 552510597 /nfs/dbraw/zinc/51/05/97/552510597.db2.gz IEQTVHJLWRGNIY-ANWQMKQLSA-N 0 0 598.689 3.810 40 0 biogenic,in-vitro KHABRN CCOCC(=O)N[C@H]1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000005941533 552513991 /nfs/dbraw/zinc/51/39/91/552513991.db2.gz NGSBHZFTKFWKBZ-IBGZPJMESA-N 0 0 531.627 3.535 40 0 KHABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)c1OC ZINC000005956622 552517319 /nfs/dbraw/zinc/51/73/19/552517319.db2.gz NXTHYSFIBXFNOD-FSJAGCDVSA-N 0 0 512.584 3.711 40 0 KHABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)c1OC ZINC000005956626 552517253 /nfs/dbraw/zinc/51/72/53/552517253.db2.gz NXTHYSFIBXFNOD-RCQUUQHHSA-N 0 0 512.584 3.711 40 0 KHABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@H]2C)OCO4)c1OC ZINC000005956629 552517307 /nfs/dbraw/zinc/51/73/07/552517307.db2.gz NXTHYSFIBXFNOD-YIOXSFGVSA-N 0 0 512.584 3.711 40 0 KHABRN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000005956786 552517301 /nfs/dbraw/zinc/51/73/01/552517301.db2.gz IHRHBTUTNJIKMJ-BHLWPZGCSA-N 0 0 542.610 3.719 40 0 KHABRN COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NNS(=O)(=O)c3ccc(C)cc3)[C@@H]2C)OCO4)cc(OC)c1OC ZINC000005956788 552517317 /nfs/dbraw/zinc/51/73/17/552517317.db2.gz IHRHBTUTNJIKMJ-XQJWHOSWSA-N 0 0 542.610 3.719 40 0 KHABRN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNS(=O)(=O)c3ccc(C)cc3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000005956793 552517270 /nfs/dbraw/zinc/51/72/70/552517270.db2.gz IHRHBTUTNJIKMJ-FQICASNESA-N 0 0 542.610 3.719 40 0 KHABRN COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NNS(=O)(=O)c3ccc(C)cc3)[C@H]2C)OCO4)cc(OC)c1OC ZINC000005956795 552517288 /nfs/dbraw/zinc/51/72/88/552517288.db2.gz IHRHBTUTNJIKMJ-XMILDSSWSA-N 0 0 542.610 3.719 40 0 KHABRN COC(=O)C1(NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCC1 ZINC000006002638 552517859 /nfs/dbraw/zinc/51/78/59/552517859.db2.gz MXPRDGMULCNPOW-HSZRJFAPSA-N 0 0 510.587 3.797 40 0 KHABRN CC(C)(C)COC(=O)C(C)(C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000006005358 552518360 /nfs/dbraw/zinc/51/83/60/552518360.db2.gz BSVQJVWLXOJEEF-JOCHJYFZSA-N 0 0 512.603 3.899 40 0 KHABRN COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000006014832 552518602 /nfs/dbraw/zinc/51/86/02/552518602.db2.gz FYHMTGVHIOLBGC-UHFFFAOYSA-N 0 0 520.563 3.859 40 0 KHABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000006014833 552518646 /nfs/dbraw/zinc/51/86/46/552518646.db2.gz DISIMGATKNBKSD-UHFFFAOYSA-N 0 0 504.564 3.893 40 0 KHABRN CC(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000006014835 552518767 /nfs/dbraw/zinc/51/87/67/552518767.db2.gz HIJKEIPLJWVFBZ-UHFFFAOYSA-N 0 0 510.593 3.955 40 0 KHABRN CC(=O)c1cccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1 ZINC000006014838 552518892 /nfs/dbraw/zinc/51/88/92/552518892.db2.gz OGQSCVXOAIXDLA-UHFFFAOYSA-N 0 0 504.564 3.893 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 ZINC000006014945 552518878 /nfs/dbraw/zinc/51/88/78/552518878.db2.gz XVNAWMUGGMCXGU-HSZRJFAPSA-N 0 0 530.658 3.800 40 0 KHABRN COc1ccc(CN(C[C@@H]2CCCO2)[C@@H](c2nnnn2C(C)(C)C)c2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000006014952 552518944 /nfs/dbraw/zinc/51/89/44/552518944.db2.gz VOKAIDANFNXIJP-HFZDXXHNSA-N 0 0 546.628 3.778 40 0 KHABRN CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2nc3ccccc3s2)CC1 ZINC000006014973 552519288 /nfs/dbraw/zinc/51/92/88/552519288.db2.gz XYXPWCIOQBWWJU-HSZRJFAPSA-N 0 0 544.641 3.520 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4nc5ccccc5s4)CC3)cc2c1 ZINC000006015042 552519341 /nfs/dbraw/zinc/51/93/41/552519341.db2.gz XVNAWMUGGMCXGU-QHCPKHFHSA-N 0 0 530.658 3.800 40 0 KHABRN COc1ccc(CN(C[C@@H]2CCCO2)[C@H](c2nnnn2C(C)(C)C)c2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000006015049 552519344 /nfs/dbraw/zinc/51/93/44/552519344.db2.gz VOKAIDANFNXIJP-LVXARBLLSA-N 0 0 546.628 3.778 40 0 KHABRN CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2nc3ccccc3s2)CC1 ZINC000006015070 552519570 /nfs/dbraw/zinc/51/95/70/552519570.db2.gz XYXPWCIOQBWWJU-QHCPKHFHSA-N 0 0 544.641 3.520 40 0 KHABRN CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)cc1 ZINC000006073747 552521753 /nfs/dbraw/zinc/52/17/53/552521753.db2.gz CABRACDWRJMZJJ-UHFFFAOYSA-N 0 0 525.612 3.891 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)cc1 ZINC000006073792 552521714 /nfs/dbraw/zinc/52/17/14/552521714.db2.gz QVFSCDMCVOTECB-UHFFFAOYSA-N 0 0 540.627 3.647 40 0 KHABRN COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000006073796 552521748 /nfs/dbraw/zinc/52/17/48/552521748.db2.gz GQNJPIHADDOBJK-UHFFFAOYSA-N 0 0 531.598 3.677 40 0 KHABRN CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)c1 ZINC000006073860 552521738 /nfs/dbraw/zinc/52/17/38/552521738.db2.gz CTLRJTYMQOQTAP-UHFFFAOYSA-N 0 0 540.627 3.647 40 0 KHABRN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)cc1 ZINC000006074151 552522204 /nfs/dbraw/zinc/52/22/04/552522204.db2.gz NCTVHRYYPLZYAJ-UHFFFAOYSA-N 0 0 525.612 3.891 40 0 KHABRN COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000006074158 552522226 /nfs/dbraw/zinc/52/22/26/552522226.db2.gz RZNMQOYAILNTCG-UHFFFAOYSA-N 0 0 516.583 3.921 40 0 KHABRN CC(=O)c1cccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)c1 ZINC000006074248 552522475 /nfs/dbraw/zinc/52/24/75/552522475.db2.gz HFHTZRUXDCJDKT-UHFFFAOYSA-N 0 0 510.583 3.903 40 0 KHABRN 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CC(C)CCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006076917 552527738 /nfs/dbraw/zinc/52/77/38/552527738.db2.gz RNKOQDYRXYVZHA-RUZDIDTESA-N 0 0 574.663 3.694 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006076918 552527647 /nfs/dbraw/zinc/52/76/47/552527647.db2.gz FPGAILVBCNMAQL-XMMPIXPASA-N 0 0 560.636 3.652 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006076921 552527713 /nfs/dbraw/zinc/52/77/13/552527713.db2.gz NPBMGZIWPOFXON-HSZRJFAPSA-N 0 0 516.627 3.923 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006076926 552527998 /nfs/dbraw/zinc/52/79/98/552527998.db2.gz SDXIWIYHAVMNFH-AREMUKBSSA-N 0 0 515.593 3.807 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006076927 552527934 /nfs/dbraw/zinc/52/79/34/552527934.db2.gz ZRLRCXYUGGYAEC-XMMPIXPASA-N 0 0 521.622 3.868 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000006076931 552527941 /nfs/dbraw/zinc/52/79/41/552527941.db2.gz GQGFEAYJOVYBFP-RUZDIDTESA-N 0 0 519.556 3.950 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000006076934 552527982 /nfs/dbraw/zinc/52/79/82/552527982.db2.gz DADYIIQRWMRAEE-RUZDIDTESA-N 0 0 501.566 3.811 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F ZINC000006076936 552527947 /nfs/dbraw/zinc/52/79/47/552527947.db2.gz FWFCYHSGCDNQGC-RUZDIDTESA-N 0 0 519.556 3.950 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006076957 552527979 /nfs/dbraw/zinc/52/79/79/552527979.db2.gz UYSFZYMKDRJPTN-DEOSSOPVSA-N 0 0 530.654 3.918 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006076958 552527983 /nfs/dbraw/zinc/52/79/83/552527983.db2.gz RNKOQDYRXYVZHA-VWLOTQADSA-N 0 0 574.663 3.694 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006076959 552527953 /nfs/dbraw/zinc/52/79/53/552527953.db2.gz FPGAILVBCNMAQL-DEOSSOPVSA-N 0 0 560.636 3.652 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006076961 552527981 /nfs/dbraw/zinc/52/79/81/552527981.db2.gz NPBMGZIWPOFXON-QHCPKHFHSA-N 0 0 516.627 3.923 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006076966 552528205 /nfs/dbraw/zinc/52/82/05/552528205.db2.gz SDXIWIYHAVMNFH-SANMLTNESA-N 0 0 515.593 3.807 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006076967 552528265 /nfs/dbraw/zinc/52/82/65/552528265.db2.gz ZRLRCXYUGGYAEC-DEOSSOPVSA-N 0 0 521.622 3.868 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000006076970 552528276 /nfs/dbraw/zinc/52/82/76/552528276.db2.gz GQGFEAYJOVYBFP-VWLOTQADSA-N 0 0 519.556 3.950 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000006076973 552528217 /nfs/dbraw/zinc/52/82/17/552528217.db2.gz DADYIIQRWMRAEE-VWLOTQADSA-N 0 0 501.566 3.811 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F ZINC000006076975 552528195 /nfs/dbraw/zinc/52/81/95/552528195.db2.gz FWFCYHSGCDNQGC-VWLOTQADSA-N 0 0 519.556 3.950 40 0 KHABRN COCCNC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006077032 552528277 /nfs/dbraw/zinc/52/82/77/552528277.db2.gz JXYVHOORBKBHJT-DEOSSOPVSA-N 0 0 546.653 3.647 40 0 KHABRN CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000006077035 552528199 /nfs/dbraw/zinc/52/81/99/552528199.db2.gz JHMXIVDBXLGSMO-QFIPXVFZSA-N 0 0 506.632 3.790 40 0 KHABRN COCCNC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 ZINC000006077043 552528501 /nfs/dbraw/zinc/52/85/01/552528501.db2.gz JXYVHOORBKBHJT-XMMPIXPASA-N 0 0 546.653 3.647 40 0 KHABRN CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000006077046 552528514 /nfs/dbraw/zinc/52/85/14/552528514.db2.gz JHMXIVDBXLGSMO-JOCHJYFZSA-N 0 0 506.632 3.790 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1 ZINC000006077434 552528818 /nfs/dbraw/zinc/52/88/18/552528818.db2.gz UTRQBOVHRCLNID-OAQYLSRUSA-N 0 0 508.648 3.803 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006077438 552528834 /nfs/dbraw/zinc/52/88/34/552528834.db2.gz BIMHAZAWKLCPEU-OAQYLSRUSA-N 0 0 520.615 3.654 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc2ncccc2c1)N(C(=O)c1snc(C(N)=O)c1N)C1CCCC1 ZINC000006077467 552528944 /nfs/dbraw/zinc/52/89/44/552528944.db2.gz UTRQBOVHRCLNID-NRFANRHFSA-N 0 0 508.648 3.803 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006077471 552528977 /nfs/dbraw/zinc/52/89/77/552528977.db2.gz BIMHAZAWKLCPEU-NRFANRHFSA-N 0 0 520.615 3.654 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000006077515 552528933 /nfs/dbraw/zinc/52/89/33/552528933.db2.gz IJJKRIAARSTZNM-HFZDXXHNSA-N 0 0 547.660 3.843 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000006077521 552528989 /nfs/dbraw/zinc/52/89/89/552528989.db2.gz IDTVIKVQGBGGPA-RUZDIDTESA-N 0 0 535.624 3.728 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000006077525 552528935 /nfs/dbraw/zinc/52/89/35/552528935.db2.gz QPISYERQPPHMGM-AREMUKBSSA-N 0 0 547.660 3.597 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000006077529 552528926 /nfs/dbraw/zinc/52/89/26/552528926.db2.gz UOIGWBCERNVUJP-RUZDIDTESA-N 0 0 535.624 3.728 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 ZINC000006077530 552528925 /nfs/dbraw/zinc/52/89/25/552528925.db2.gz MARXJAYIMCCVDL-AREMUKBSSA-N 0 0 547.660 3.597 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000006077682 552529341 /nfs/dbraw/zinc/52/93/41/552529341.db2.gz IJJKRIAARSTZNM-LVXARBLLSA-N 0 0 547.660 3.843 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000006077687 552529307 /nfs/dbraw/zinc/52/93/07/552529307.db2.gz IDTVIKVQGBGGPA-VWLOTQADSA-N 0 0 535.624 3.728 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000006077693 552529275 /nfs/dbraw/zinc/52/92/75/552529275.db2.gz QPISYERQPPHMGM-SANMLTNESA-N 0 0 547.660 3.597 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 ZINC000006077697 552529330 /nfs/dbraw/zinc/52/93/30/552529330.db2.gz MARXJAYIMCCVDL-SANMLTNESA-N 0 0 547.660 3.597 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006077993 552529516 /nfs/dbraw/zinc/52/95/16/552529516.db2.gz DKBFSCOWMBVXHN-NRFANRHFSA-N 0 0 524.647 3.701 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006077995 552529451 /nfs/dbraw/zinc/52/94/51/552529451.db2.gz DKBFSCOWMBVXHN-OAQYLSRUSA-N 0 0 524.647 3.701 40 0 KHABRN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000006078555 552529857 /nfs/dbraw/zinc/52/98/57/552529857.db2.gz FIKDXKBIADQPKH-UHFFFAOYSA-N 0 0 517.648 3.547 40 0 KHABRN COc1cc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)cc(OC)c1 ZINC000006088727 552530408 /nfs/dbraw/zinc/53/04/08/552530408.db2.gz JLDRAENMTHXYRD-UHFFFAOYSA-N 0 0 543.627 3.706 40 0 KHABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)c(OC)c1 ZINC000006088746 552530415 /nfs/dbraw/zinc/53/04/15/552530415.db2.gz DXYHJMUYZQMLNY-UHFFFAOYSA-N 0 0 543.627 3.706 40 0 KHABRN COc1ccc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)n2Cc2ccco2)cc1 ZINC000006088756 552530481 /nfs/dbraw/zinc/53/04/81/552530481.db2.gz GTETXBBWCBKMCG-UHFFFAOYSA-N 0 0 513.601 3.697 40 0 KHABRN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1Cc1ccco1 ZINC000006088776 552530643 /nfs/dbraw/zinc/53/06/43/552530643.db2.gz SWVUSPDPUJEHAE-UHFFFAOYSA-N 0 0 513.601 3.697 40 0 KHABRN CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2Cc2ccco2)cc1 ZINC000006088795 552530610 /nfs/dbraw/zinc/53/06/10/552530610.db2.gz WAWKRPMFSFKDMP-UHFFFAOYSA-N 0 0 501.565 3.828 40 0 KHABRN CS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)n2Cc2ccco2)cc1 ZINC000006088797 552530637 /nfs/dbraw/zinc/53/06/37/552530637.db2.gz XVINREGTJFWQFW-UHFFFAOYSA-N 0 0 526.596 3.704 40 0 KHABRN COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000006088912 552531096 /nfs/dbraw/zinc/53/10/96/552531096.db2.gz HRSFDQNSUBSZJM-UHFFFAOYSA-N 0 0 509.613 3.630 40 0 KHABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)n1 ZINC000006089389 552531815 /nfs/dbraw/zinc/53/18/15/552531815.db2.gz PGHJOSZXMAPOLY-UHFFFAOYSA-N 0 0 510.601 3.631 40 0 KHABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C ZINC000006089457 552531809 /nfs/dbraw/zinc/53/18/09/552531809.db2.gz ALZHLEVFRQLDOJ-UHFFFAOYSA-N 0 0 517.633 3.916 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2-c2ccccc2)cc1 ZINC000006089577 552532288 /nfs/dbraw/zinc/53/22/88/552532288.db2.gz ILKVUWAHNSGYFX-UHFFFAOYSA-N 0 0 607.714 3.863 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006089831 552532848 /nfs/dbraw/zinc/53/28/48/552532848.db2.gz FRJFOKVLFBRSGV-DEOSSOPVSA-N 0 0 517.590 3.724 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006089844 552532817 /nfs/dbraw/zinc/53/28/17/552532817.db2.gz FRJFOKVLFBRSGV-XMMPIXPASA-N 0 0 517.590 3.724 40 0 KHABRN CCOc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000006089913 552533301 /nfs/dbraw/zinc/53/33/01/552533301.db2.gz GZHFIDXUQFDGJC-UHFFFAOYSA-N 0 0 538.670 3.619 40 0 KHABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCCC1 ZINC000006131036 552534846 /nfs/dbraw/zinc/53/48/46/552534846.db2.gz JNGUVKAZFIZMQY-UHFFFAOYSA-N 0 0 539.723 3.957 40 0 KHABRN CC(C)C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000006133910 552535448 /nfs/dbraw/zinc/53/54/48/552535448.db2.gz RZQXHMVPIJATAV-UOBYYGQQSA-N 0 0 518.205 3.579 40 0 KHABRN CC(C)C(=O)NN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000006133911 552535434 /nfs/dbraw/zinc/53/54/34/552535434.db2.gz RZQXHMVPIJATAV-RGMRCXJASA-N 0 0 518.205 3.579 40 0 KHABRN CC(C)C(=O)NN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000006133913 552535422 /nfs/dbraw/zinc/53/54/22/552535422.db2.gz RZQXHMVPIJATAV-WZGNDQMWSA-N 0 0 518.205 3.579 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000006133936 552535501 /nfs/dbraw/zinc/53/55/01/552535501.db2.gz SLPJXOIVRLRDJZ-IGKIAQTJSA-N 0 0 541.612 3.872 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000006133939 552535418 /nfs/dbraw/zinc/53/54/18/552535418.db2.gz IERQTCMRQZGBAQ-CUBQBAPOSA-N 0 0 543.672 3.621 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000006133951 552535387 /nfs/dbraw/zinc/53/53/87/552535387.db2.gz QLIXTRLLOHZKEE-CUBQBAPOSA-N 0 0 543.672 3.621 40 0 KHABRN CC(C)CCNC(=O)CN(Cc1ccc(F)cc1)C(=O)c1snc(C(=O)NC2CCCCC2)c1N ZINC000006133956 552535489 /nfs/dbraw/zinc/53/54/89/552535489.db2.gz CLLUOBCIFIHRQH-UHFFFAOYSA-N 0 0 503.644 3.732 40 0 KHABRN COc1ccc(CN(CC(=O)NCCC(C)C)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)cc1 ZINC000006133961 552535764 /nfs/dbraw/zinc/53/57/64/552535764.db2.gz SXLSDSBJANIWFE-UHFFFAOYSA-N 0 0 515.680 3.601 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000006133963 552535729 /nfs/dbraw/zinc/53/57/29/552535729.db2.gz SLPJXOIVRLRDJZ-SQHAQQRYSA-N 0 0 541.612 3.872 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000006133966 552535745 /nfs/dbraw/zinc/53/57/45/552535745.db2.gz IERQTCMRQZGBAQ-YWEHKCAJSA-N 0 0 543.672 3.621 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000006133979 552535739 /nfs/dbraw/zinc/53/57/39/552535739.db2.gz QLIXTRLLOHZKEE-YWEHKCAJSA-N 0 0 543.672 3.621 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(C(C)C)cc3)n2)cc1OC ZINC000006133987 552535732 /nfs/dbraw/zinc/53/57/32/552535732.db2.gz AMXBXSSPOXDOGQ-UHFFFAOYSA-N 0 0 508.623 3.676 40 0 KHABRN COc1ccc(N(CC(=O)NCCC(C)C)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)cc1 ZINC000006134004 552535752 /nfs/dbraw/zinc/53/57/52/552535752.db2.gz AFTHSFLMUGWFQV-UHFFFAOYSA-N 0 0 501.653 3.606 40 0 KHABRN COc1ccc(N(CC(=O)NCCC(C)C)C(=O)c2snc(C(=O)NC3CCCCC3)c2N)c(OC)c1 ZINC000006134006 552535763 /nfs/dbraw/zinc/53/57/63/552535763.db2.gz CZMUCBFARLJGCT-UHFFFAOYSA-N 0 0 531.679 3.614 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000006134016 552535928 /nfs/dbraw/zinc/53/59/28/552535928.db2.gz NFAVTVQTFQYZSY-LJAQVGFWSA-N 0 0 551.651 3.882 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3cccc4ccccc43)n2)cc1OC ZINC000006134019 552535934 /nfs/dbraw/zinc/53/59/34/552535934.db2.gz SIMSCBMGQLUHGM-UHFFFAOYSA-N 0 0 516.602 3.706 40 0 KHABRN CC(C)CCNC(=O)[C@@H](CC(C)C)N(C[C@@H]1CCCO1)C(=O)c1snc(C(=O)NC2CCCCC2)c1N ZINC000006134075 552535855 /nfs/dbraw/zinc/53/58/55/552535855.db2.gz GFOSMCOTJZGBKP-LEWJYISDSA-N 0 0 535.755 3.986 40 0 KHABRN CC(C)CCNC(=O)[C@@H](CC(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(=O)NC2CCCCC2)c1N ZINC000006134077 552535903 /nfs/dbraw/zinc/53/59/03/552535903.db2.gz GFOSMCOTJZGBKP-NHCUHLMSSA-N 0 0 535.755 3.986 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006134096 552535864 /nfs/dbraw/zinc/53/58/64/552535864.db2.gz CPVPNDJBTGWQDP-JOCHJYFZSA-N 0 0 522.606 3.995 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006134097 552535874 /nfs/dbraw/zinc/53/58/74/552535874.db2.gz QFSVUAKSILXEDB-HSZRJFAPSA-N 0 0 548.625 3.585 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 ZINC000006134099 552535907 /nfs/dbraw/zinc/53/59/07/552535907.db2.gz VZOGHLQDDQYYOT-JOCHJYFZSA-N 0 0 522.606 3.995 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006134100 552536159 /nfs/dbraw/zinc/53/61/59/552536159.db2.gz WBANNGCENNIPSV-JOCHJYFZSA-N 0 0 504.616 3.856 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F ZINC000006134102 552536166 /nfs/dbraw/zinc/53/61/66/552536166.db2.gz DVBBPPHXDXXCAJ-JOCHJYFZSA-N 0 0 522.606 3.995 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000006134128 552536172 /nfs/dbraw/zinc/53/61/72/552536172.db2.gz QPKDHNSOUGTSMB-JOCHJYFZSA-N 0 0 543.621 3.531 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC ZINC000006134131 552536164 /nfs/dbraw/zinc/53/61/64/552536164.db2.gz VSVGBZMSIUGASZ-JOCHJYFZSA-N 0 0 543.621 3.531 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006134144 552536162 /nfs/dbraw/zinc/53/61/62/552536162.db2.gz BQGXDGHWPYLIHI-LJQANCHMSA-N 0 0 504.012 3.617 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N(Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000006134146 552536367 /nfs/dbraw/zinc/53/63/67/552536367.db2.gz SLPJXOIVRLRDJZ-RPLLCQBOSA-N 0 0 541.612 3.872 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000006134150 552536446 /nfs/dbraw/zinc/53/64/46/552536446.db2.gz IERQTCMRQZGBAQ-RBJSKKJNSA-N 0 0 543.672 3.621 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 ZINC000006134151 552536426 /nfs/dbraw/zinc/53/64/26/552536426.db2.gz QAWWUDBCOTUREF-HXUWFJFHSA-N 0 0 516.023 3.734 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006134157 552536442 /nfs/dbraw/zinc/53/64/42/552536442.db2.gz ZAOTWKAYGRKDTK-OAQYLSRUSA-N 0 0 515.586 3.648 40 0 KHABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 ZINC000006134158 552536380 /nfs/dbraw/zinc/53/63/80/552536380.db2.gz LEWKCOXNAOLKGX-JOCHJYFZSA-N 0 0 527.622 3.518 40 0 KHABRN COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 ZINC000006134160 552536418 /nfs/dbraw/zinc/53/64/18/552536418.db2.gz FZLIMVRXBNGNIO-JOCHJYFZSA-N 0 0 527.622 3.518 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000006134162 552536397 /nfs/dbraw/zinc/53/63/97/552536397.db2.gz QLIXTRLLOHZKEE-RBJSKKJNSA-N 0 0 543.672 3.621 40 0 KHABRN COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006134163 552536373 /nfs/dbraw/zinc/53/63/73/552536373.db2.gz NQBDJCHMJOVUKQ-JOCHJYFZSA-N 0 0 527.622 3.518 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006134165 552536360 /nfs/dbraw/zinc/53/63/60/552536360.db2.gz YMVNWRQYMMFHQD-LJQANCHMSA-N 0 0 503.625 3.571 40 0 KHABRN COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 ZINC000006134167 552536364 /nfs/dbraw/zinc/53/63/64/552536364.db2.gz FMKBBAAMLMDYNJ-JOCHJYFZSA-N 0 0 543.621 3.531 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1OC ZINC000006134168 552536337 /nfs/dbraw/zinc/53/63/37/552536337.db2.gz LCMOBNODXMJZJB-JOCHJYFZSA-N 0 0 543.621 3.531 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006134173 552536355 /nfs/dbraw/zinc/53/63/55/552536355.db2.gz SJAYUITXTSINFP-HXUWFJFHSA-N 0 0 501.559 3.653 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 ZINC000006134174 552536384 /nfs/dbraw/zinc/53/63/84/552536384.db2.gz UBZABORSJVAFPG-OAQYLSRUSA-N 0 0 513.595 3.522 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N(Cc3ccco3)Cc3cccnc3)cc2c1 ZINC000006134175 552536394 /nfs/dbraw/zinc/53/63/94/552536394.db2.gz SLPJXOIVRLRDJZ-SHQCIBLASA-N 0 0 541.612 3.872 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c(OC)c1 ZINC000006134177 552536340 /nfs/dbraw/zinc/53/63/40/552536340.db2.gz LLPQIYDPNMTQLA-JOCHJYFZSA-N 0 0 543.621 3.531 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000006134178 552536344 /nfs/dbraw/zinc/53/63/44/552536344.db2.gz IERQTCMRQZGBAQ-UFHPHHKVSA-N 0 0 543.672 3.621 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 ZINC000006134183 552536662 /nfs/dbraw/zinc/53/66/62/552536662.db2.gz SWLGCEMLPZYXHG-HXUWFJFHSA-N 0 0 501.559 3.653 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 ZINC000006134187 552536670 /nfs/dbraw/zinc/53/66/70/552536670.db2.gz LRAPOGPNESWUGH-OAQYLSRUSA-N 0 0 513.595 3.522 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000006134189 552536637 /nfs/dbraw/zinc/53/66/37/552536637.db2.gz QLIXTRLLOHZKEE-UFHPHHKVSA-N 0 0 543.672 3.621 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006134190 552536611 /nfs/dbraw/zinc/53/66/11/552536611.db2.gz WMPWAYCVZOOOTR-OAQYLSRUSA-N 0 0 513.595 3.522 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006134201 552536667 /nfs/dbraw/zinc/53/66/67/552536667.db2.gz ALSZCWONJPVTNA-RUZDIDTESA-N 0 0 520.565 3.710 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000006134204 552536620 /nfs/dbraw/zinc/53/66/20/552536620.db2.gz CNGVLCGSQKDNME-MUUNZHRXSA-N 0 0 537.624 3.579 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 ZINC000006134208 552536671 /nfs/dbraw/zinc/53/66/71/552536671.db2.gz RDBKYNNLSRKSFR-HXUWFJFHSA-N 0 0 516.023 3.734 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000006134215 552536589 /nfs/dbraw/zinc/53/65/89/552536589.db2.gz NFAVTVQTFQYZSY-GDLZYMKVSA-N 0 0 551.651 3.882 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006134227 552536812 /nfs/dbraw/zinc/53/68/12/552536812.db2.gz MQUQPJGKKMOQBV-JOCHJYFZSA-N 0 0 527.622 3.518 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006134236 552536740 /nfs/dbraw/zinc/53/67/40/552536740.db2.gz PPDRIKWLVOOPHZ-OAQYLSRUSA-N 0 0 513.595 3.522 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006134243 552536816 /nfs/dbraw/zinc/53/68/16/552536816.db2.gz IEBQXAUKZOILGB-OAQYLSRUSA-N 0 0 513.595 3.522 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006134269 552536752 /nfs/dbraw/zinc/53/67/52/552536752.db2.gz VCZIKKRQBMGTQF-LJQANCHMSA-N 0 0 504.012 3.617 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000006134283 552536779 /nfs/dbraw/zinc/53/67/79/552536779.db2.gz FMWYTDMLGLDKBI-GOSISDBHSA-N 0 0 507.975 3.760 40 0 KHABRN CC(C)CCNC(=O)[C@H](CC(C)C)N(C[C@@H]1CCCO1)C(=O)c1snc(C(=O)NC2CCCCC2)c1N ZINC000006134375 552537105 /nfs/dbraw/zinc/53/71/05/552537105.db2.gz GFOSMCOTJZGBKP-SFTDATJTSA-N 0 0 535.755 3.986 40 0 KHABRN CC(C)CCNC(=O)[C@H](CC(C)C)N(C[C@H]1CCCO1)C(=O)c1snc(C(=O)NC2CCCCC2)c1N ZINC000006134376 552537052 /nfs/dbraw/zinc/53/70/52/552537052.db2.gz GFOSMCOTJZGBKP-RTWAWAEBSA-N 0 0 535.755 3.986 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006134397 552537290 /nfs/dbraw/zinc/53/72/90/552537290.db2.gz CPVPNDJBTGWQDP-QFIPXVFZSA-N 0 0 522.606 3.995 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCO2 ZINC000006134398 552537298 /nfs/dbraw/zinc/53/72/98/552537298.db2.gz QFSVUAKSILXEDB-QHCPKHFHSA-N 0 0 548.625 3.585 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 ZINC000006134400 552537348 /nfs/dbraw/zinc/53/73/48/552537348.db2.gz VZOGHLQDDQYYOT-QFIPXVFZSA-N 0 0 522.606 3.995 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 ZINC000006134401 552537287 /nfs/dbraw/zinc/53/72/87/552537287.db2.gz WBANNGCENNIPSV-QFIPXVFZSA-N 0 0 504.616 3.856 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F ZINC000006134402 552537244 /nfs/dbraw/zinc/53/72/44/552537244.db2.gz DVBBPPHXDXXCAJ-QFIPXVFZSA-N 0 0 522.606 3.995 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC(C)(C)C)c1ccncc1 ZINC000006134428 552537497 /nfs/dbraw/zinc/53/74/97/552537497.db2.gz DMVIMGGCDWPISD-DEOSSOPVSA-N 0 0 517.590 3.724 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000006134435 552537477 /nfs/dbraw/zinc/53/74/77/552537477.db2.gz QPKDHNSOUGTSMB-QFIPXVFZSA-N 0 0 543.621 3.531 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC ZINC000006134440 552537499 /nfs/dbraw/zinc/53/74/99/552537499.db2.gz VSVGBZMSIUGASZ-QFIPXVFZSA-N 0 0 543.621 3.531 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccncc1 ZINC000006134447 552537464 /nfs/dbraw/zinc/53/74/64/552537464.db2.gz DMVIMGGCDWPISD-XMMPIXPASA-N 0 0 517.590 3.724 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006134454 552537539 /nfs/dbraw/zinc/53/75/39/552537539.db2.gz BQGXDGHWPYLIHI-IBGZPJMESA-N 0 0 504.012 3.617 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(O)c1 ZINC000006134461 552537530 /nfs/dbraw/zinc/53/75/30/552537530.db2.gz QAWWUDBCOTUREF-FQEVSTJZSA-N 0 0 516.023 3.734 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006134467 552537536 /nfs/dbraw/zinc/53/75/36/552537536.db2.gz ZAOTWKAYGRKDTK-NRFANRHFSA-N 0 0 515.586 3.648 40 0 KHABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 ZINC000006134468 552537554 /nfs/dbraw/zinc/53/75/54/552537554.db2.gz LEWKCOXNAOLKGX-QFIPXVFZSA-N 0 0 527.622 3.518 40 0 KHABRN COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 ZINC000006134469 552537762 /nfs/dbraw/zinc/53/77/62/552537762.db2.gz FZLIMVRXBNGNIO-QFIPXVFZSA-N 0 0 527.622 3.518 40 0 KHABRN COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006134472 552537802 /nfs/dbraw/zinc/53/78/02/552537802.db2.gz NQBDJCHMJOVUKQ-QFIPXVFZSA-N 0 0 527.622 3.518 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006134476 552537805 /nfs/dbraw/zinc/53/78/05/552537805.db2.gz YMVNWRQYMMFHQD-IBGZPJMESA-N 0 0 503.625 3.571 40 0 KHABRN COc1ccc(OC)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 ZINC000006134477 552537768 /nfs/dbraw/zinc/53/77/68/552537768.db2.gz FMKBBAAMLMDYNJ-QFIPXVFZSA-N 0 0 543.621 3.531 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1OC ZINC000006134479 552537787 /nfs/dbraw/zinc/53/77/87/552537787.db2.gz LCMOBNODXMJZJB-QFIPXVFZSA-N 0 0 543.621 3.531 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006134484 552537773 /nfs/dbraw/zinc/53/77/73/552537773.db2.gz SJAYUITXTSINFP-FQEVSTJZSA-N 0 0 501.559 3.653 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)cc1 ZINC000006134485 552537743 /nfs/dbraw/zinc/53/77/43/552537743.db2.gz UBZABORSJVAFPG-NRFANRHFSA-N 0 0 513.595 3.522 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c(OC)c1 ZINC000006134488 552537776 /nfs/dbraw/zinc/53/77/76/552537776.db2.gz LLPQIYDPNMTQLA-QFIPXVFZSA-N 0 0 543.621 3.531 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 ZINC000006134494 552537784 /nfs/dbraw/zinc/53/77/84/552537784.db2.gz SWLGCEMLPZYXHG-FQEVSTJZSA-N 0 0 501.559 3.653 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(F)cc2)c1 ZINC000006134497 552537795 /nfs/dbraw/zinc/53/77/95/552537795.db2.gz LRAPOGPNESWUGH-NRFANRHFSA-N 0 0 513.595 3.522 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006134500 552537793 /nfs/dbraw/zinc/53/77/93/552537793.db2.gz WMPWAYCVZOOOTR-NRFANRHFSA-N 0 0 513.595 3.522 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000006134520 552537790 /nfs/dbraw/zinc/53/77/90/552537790.db2.gz ALSZCWONJPVTNA-VWLOTQADSA-N 0 0 520.565 3.710 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(Cl)cc1 ZINC000006134526 552537785 /nfs/dbraw/zinc/53/77/85/552537785.db2.gz RDBKYNNLSRKSFR-FQEVSTJZSA-N 0 0 516.023 3.734 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006134549 552538038 /nfs/dbraw/zinc/53/80/38/552538038.db2.gz MQUQPJGKKMOQBV-QFIPXVFZSA-N 0 0 527.622 3.518 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000006134557 552538021 /nfs/dbraw/zinc/53/80/21/552538021.db2.gz PPDRIKWLVOOPHZ-NRFANRHFSA-N 0 0 513.595 3.522 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000006134564 552538008 /nfs/dbraw/zinc/53/80/08/552538008.db2.gz IEBQXAUKZOILGB-NRFANRHFSA-N 0 0 513.595 3.522 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006134584 552538047 /nfs/dbraw/zinc/53/80/47/552538047.db2.gz VCZIKKRQBMGTQF-IBGZPJMESA-N 0 0 504.012 3.617 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 ZINC000006134593 552538000 /nfs/dbraw/zinc/53/80/00/552538000.db2.gz FMWYTDMLGLDKBI-SFHVURJKSA-N 0 0 507.975 3.760 40 0 KHABRN CCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006134760 552538619 /nfs/dbraw/zinc/53/86/19/552538619.db2.gz HDLMYNAMEDIETM-DEOSSOPVSA-N 0 0 501.591 3.888 40 0 KHABRN CCc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006134790 552538647 /nfs/dbraw/zinc/53/86/47/552538647.db2.gz HDLMYNAMEDIETM-XMMPIXPASA-N 0 0 501.591 3.888 40 0 KHABRN CC(C)C[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000006134924 552538686 /nfs/dbraw/zinc/53/86/86/552538686.db2.gz HNBSJEKZWLTHIK-OYUWMTPXSA-N 0 0 582.742 3.858 40 0 KHABRN CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000006134947 552538739 /nfs/dbraw/zinc/53/87/39/552538739.db2.gz HNBSJEKZWLTHIK-VJGNERBWSA-N 0 0 582.742 3.858 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@@H](CC(C)C)C(=O)NC(C)(C)C)n2)cc1OC ZINC000006134994 552538747 /nfs/dbraw/zinc/53/87/47/552538747.db2.gz LRATXHHHAVDXGD-NRFANRHFSA-N 0 0 526.613 3.859 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](CC(C)C)C(=O)NC3CCCC3)n2)cc1OC ZINC000006135021 552538751 /nfs/dbraw/zinc/53/87/51/552538751.db2.gz XEJMNISUUYPWFW-QHCPKHFHSA-N 0 0 520.634 3.864 40 0 KHABRN CC(C)C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N ZINC000006135031 552538761 /nfs/dbraw/zinc/53/87/61/552538761.db2.gz LKNFLIIOBJZUQQ-SFHVURJKSA-N 0 0 506.072 3.984 40 0 KHABRN CC(C)C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(C)C)C(N)=O ZINC000006135121 552538998 /nfs/dbraw/zinc/53/89/98/552538998.db2.gz HNBSJEKZWLTHIK-ZONZVBGPSA-N 0 0 582.742 3.858 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 ZINC000006135219 552539252 /nfs/dbraw/zinc/53/92/52/552539252.db2.gz VJGHYHPTECRALH-DEOSSOPVSA-N 0 0 541.578 3.654 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 ZINC000006135231 552539295 /nfs/dbraw/zinc/53/92/95/552539295.db2.gz HFLGUSYMWRDCLK-OZXSUGGESA-N 0 0 534.064 3.821 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 ZINC000006135243 552539265 /nfs/dbraw/zinc/53/92/65/552539265.db2.gz HFLGUSYMWRDCLK-BVAGGSTKSA-N 0 0 534.064 3.821 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1 ZINC000006135332 552539466 /nfs/dbraw/zinc/53/94/66/552539466.db2.gz VJGHYHPTECRALH-XMMPIXPASA-N 0 0 541.578 3.654 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 ZINC000006135344 552539452 /nfs/dbraw/zinc/53/94/52/552539452.db2.gz HFLGUSYMWRDCLK-JYFHCDHNSA-N 0 0 534.064 3.821 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 ZINC000006135357 552539461 /nfs/dbraw/zinc/53/94/61/552539461.db2.gz HFLGUSYMWRDCLK-ZEQKJWHPSA-N 0 0 534.064 3.821 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000006136136 552541190 /nfs/dbraw/zinc/54/11/90/552541190.db2.gz IHTXCCTXFBDMAY-UHFFFAOYSA-N 0 0 502.552 3.838 40 0 KHABRN COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N(Cc3cccnc3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000006136434 552541705 /nfs/dbraw/zinc/54/17/05/552541705.db2.gz YHFXZLLETRNANV-CUNXSJBXSA-N 0 0 545.644 3.813 40 0 KHABRN 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3.729 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239529 552572891 /nfs/dbraw/zinc/57/28/91/552572891.db2.gz FFKATKBWXIOCFD-NEKDWFFYSA-N 0 0 544.656 3.755 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239533 552572857 /nfs/dbraw/zinc/57/28/57/552572857.db2.gz DWRKTYAIFLFADC-AJTFRIOCSA-N 0 0 546.603 3.729 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239534 193875008 /nfs/dbraw/zinc/87/50/08/193875008.db2.gz FFKATKBWXIOCFD-QDPGVEIFSA-N 0 0 544.656 3.755 40 0 KHABRN COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000006239741 552572883 /nfs/dbraw/zinc/57/28/83/552572883.db2.gz HRXWAIOSDFXOJU-UHFFFAOYSA-N 0 0 524.595 3.954 40 0 KHABRN COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000006239742 552572870 /nfs/dbraw/zinc/57/28/70/552572870.db2.gz LGFRAWJNYRYZSE-UHFFFAOYSA-N 0 0 552.605 3.716 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Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@H](C(=O)NC(C)(C)C)c3ccncc3)n2)cc1 ZINC000006279825 552575852 /nfs/dbraw/zinc/57/58/52/552575852.db2.gz LAFAQHSNEXYAMR-VWLOTQADSA-N 0 0 515.593 3.867 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2)cc1 ZINC000006279828 552575763 /nfs/dbraw/zinc/57/57/63/552575763.db2.gz LAFAQHSNEXYAMR-RUZDIDTESA-N 0 0 515.593 3.867 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)cc1 ZINC000006279834 552575776 /nfs/dbraw/zinc/57/57/76/552575776.db2.gz FXCGIQUKKAHSLX-MHZLTWQESA-N 0 0 509.614 3.872 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)cc1 ZINC000006279838 193878731 /nfs/dbraw/zinc/87/87/31/193878731.db2.gz FXCGIQUKKAHSLX-HHHXNRCGSA-N 0 0 509.614 3.872 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)cc1 ZINC000006279856 552575844 /nfs/dbraw/zinc/57/58/44/552575844.db2.gz VZKVOGZYKIOGGO-VWLOTQADSA-N 0 0 515.643 3.934 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)cc1 ZINC000006279862 193878906 /nfs/dbraw/zinc/87/89/06/193878906.db2.gz VZKVOGZYKIOGGO-RUZDIDTESA-N 0 0 515.643 3.934 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@H](C(=O)NC(C)(C)C)c3ccncc3)n2)cc1 ZINC000006279917 552575944 /nfs/dbraw/zinc/57/59/44/552575944.db2.gz LCZXGSOFTUSGSJ-DEOSSOPVSA-N 0 0 501.566 3.872 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2)cc1 ZINC000006279922 552575961 /nfs/dbraw/zinc/57/59/61/552575961.db2.gz LCZXGSOFTUSGSJ-XMMPIXPASA-N 0 0 501.566 3.872 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006279931 552575899 /nfs/dbraw/zinc/57/58/99/552575899.db2.gz LIHNYZMPCGATRS-VWLOTQADSA-N 0 0 513.602 3.741 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000006279933 193878928 /nfs/dbraw/zinc/87/89/28/193878928.db2.gz LIHNYZMPCGATRS-RUZDIDTESA-N 0 0 513.602 3.741 40 0 KHABRN 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Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1 ZINC000006281206 552576995 /nfs/dbraw/zinc/57/69/95/552576995.db2.gz QJSYOIJQBDVWFE-VWLOTQADSA-N 0 0 517.565 3.605 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1 ZINC000006281208 552577219 /nfs/dbraw/zinc/57/72/19/552577219.db2.gz QJSYOIJQBDVWFE-RUZDIDTESA-N 0 0 517.565 3.605 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1 ZINC000006281218 552577174 /nfs/dbraw/zinc/57/71/74/552577174.db2.gz DIBVFKHIVREZKY-QHCPKHFHSA-N 0 0 505.604 3.527 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCC3)c3ccncc3)n2)o1 ZINC000006281220 193880222 /nfs/dbraw/zinc/88/02/22/193880222.db2.gz DIBVFKHIVREZKY-HSZRJFAPSA-N 0 0 505.604 3.527 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cnc4ccccc4c3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(O)cc3)n2)o1 ZINC000006281227 193880212 /nfs/dbraw/zinc/88/02/12/193880212.db2.gz UMWJVYNNTZLVOW-CUBQBAPOSA-N 0 0 567.606 3.565 40 0 KHABRN 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CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006462078 552590817 /nfs/dbraw/zinc/59/08/17/552590817.db2.gz PACXGDIFUZDBKA-LJQANCHMSA-N 0 0 515.661 3.583 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006462084 552590840 /nfs/dbraw/zinc/59/08/40/552590840.db2.gz KYZFNFGNRYUYLE-HXUWFJFHSA-N 0 0 513.595 3.665 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006462088 552591121 /nfs/dbraw/zinc/59/11/21/552591121.db2.gz YMRNZVILGYEYNN-OAQYLSRUSA-N 0 0 525.631 3.534 40 0 KHABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)CC)c2ccc(OC)cc2)cc1 ZINC000006462089 552591092 /nfs/dbraw/zinc/59/10/92/552591092.db2.gz WUVZPEOIFZADDJ-JOCHJYFZSA-N 0 0 539.658 3.924 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006462094 552591084 /nfs/dbraw/zinc/59/10/84/552591084.db2.gz NHIZFFWEKKFEFD-OAQYLSRUSA-N 0 0 525.631 3.534 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006462097 552591116 /nfs/dbraw/zinc/59/11/16/552591116.db2.gz YNNCHFLCGGDGCD-HXUWFJFHSA-N 0 0 513.620 3.504 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006462098 552591095 /nfs/dbraw/zinc/59/10/95/552591095.db2.gz MDDIZUXVYOFXPL-HXUWFJFHSA-N 0 0 529.688 3.973 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1 ZINC000006462102 552591087 /nfs/dbraw/zinc/59/10/87/552591087.db2.gz GYKOCWJZPQYALH-JOCHJYFZSA-N 0 0 539.658 3.924 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000006462103 552591089 /nfs/dbraw/zinc/59/10/89/552591089.db2.gz AAMXPTZCMYIMRA-HSZRJFAPSA-N 0 0 567.668 3.687 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(OC)c2)cc1 ZINC000006462107 552591060 /nfs/dbraw/zinc/59/10/60/552591060.db2.gz WKKXMVJHKYOOFN-JOCHJYFZSA-N 0 0 539.658 3.924 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462111 552591098 /nfs/dbraw/zinc/59/10/98/552591098.db2.gz QUKOBFMGRSHXHJ-LJQANCHMSA-N 0 0 501.584 3.553 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(Cc1ccccc1F)C(=O)c1snc(C(N)=O)c1N ZINC000006462118 552591114 /nfs/dbraw/zinc/59/11/14/552591114.db2.gz CZPNPLCRIZQEPT-LJQANCHMSA-N 0 0 501.584 3.553 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(C)o1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC ZINC000006462125 552591071 /nfs/dbraw/zinc/59/10/71/552591071.db2.gz CZYSRHSBMNWYAM-HXUWFJFHSA-N 0 0 513.620 3.736 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1c[nH]c2ccccc21)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462148 552591062 /nfs/dbraw/zinc/59/10/62/552591062.db2.gz AQSRFOJOIPRZGL-QFIPXVFZSA-N 0 0 518.643 3.994 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1c[nH]c2ccccc21)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N ZINC000006462150 552591097 /nfs/dbraw/zinc/59/10/97/552591097.db2.gz NEGSOUSWQJDKJF-FQEVSTJZSA-N 0 0 508.604 3.587 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1c[nH]c2ccccc21)N(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2 ZINC000006462161 552591155 /nfs/dbraw/zinc/59/11/55/552591155.db2.gz JJXWNCWWUOYRAZ-QHCPKHFHSA-N 0 0 562.652 3.770 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462164 552591190 /nfs/dbraw/zinc/59/11/90/552591190.db2.gz QUYSWWVMIUBPCB-NRFANRHFSA-N 0 0 511.623 3.694 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462165 552591227 /nfs/dbraw/zinc/59/12/27/552591227.db2.gz KEIDVVAAKVBORR-NRFANRHFSA-N 0 0 527.622 3.660 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccc(OC)c1)C(=O)c1snc(C(N)=O)c1N ZINC000006462168 552591171 /nfs/dbraw/zinc/59/11/71/552591171.db2.gz OSMSZJMJFFWDFO-NRFANRHFSA-N 0 0 527.622 3.660 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N ZINC000006462170 552591208 /nfs/dbraw/zinc/59/12/08/552591208.db2.gz YDUVDTGQCLPXNL-NRFANRHFSA-N 0 0 527.622 3.660 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006462171 552591180 /nfs/dbraw/zinc/59/11/80/552591180.db2.gz JOZQGKUYQDYBRR-SFHVURJKSA-N 0 0 503.625 3.713 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC ZINC000006462173 552591159 /nfs/dbraw/zinc/59/11/59/552591159.db2.gz ZSKLOEOLZBCHAM-NRFANRHFSA-N 0 0 527.622 3.973 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)c(OC)c1 ZINC000006462174 552591219 /nfs/dbraw/zinc/59/12/19/552591219.db2.gz ZJWCGXICDPFJMR-NRFANRHFSA-N 0 0 543.621 3.673 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006462177 552591221 /nfs/dbraw/zinc/59/12/21/552591221.db2.gz FSDSUCBIWKLVKY-FQEVSTJZSA-N 0 0 513.595 3.665 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1OC ZINC000006462179 552591186 /nfs/dbraw/zinc/59/11/86/552591186.db2.gz HFTYDEGCKQBXTN-NRFANRHFSA-N 0 0 543.621 3.673 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006462182 552591215 /nfs/dbraw/zinc/59/12/15/552591215.db2.gz GYCZZFPNMVRFLS-FQEVSTJZSA-N 0 0 513.595 3.665 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1 ZINC000006462197 552591224 /nfs/dbraw/zinc/59/12/24/552591224.db2.gz GLTUHDBLTDTDAC-NRFANRHFSA-N 0 0 509.632 3.840 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1 ZINC000006462198 552591211 /nfs/dbraw/zinc/59/12/11/552591211.db2.gz GSSFRDXVCDILQB-NRFANRHFSA-N 0 0 509.632 3.840 40 0 KHABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)CC)c2ccc(O)cc2)cc1 ZINC000006462205 552591431 /nfs/dbraw/zinc/59/14/31/552591431.db2.gz SZSFGBMMJOATPI-NRFANRHFSA-N 0 0 525.631 3.621 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462211 552591458 /nfs/dbraw/zinc/59/14/58/552591458.db2.gz SGYLTLXTSIZLRR-QFIPXVFZSA-N 0 0 523.659 3.564 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(CCc1ccccc1C)C(=O)c1snc(C(N)=O)c1N ZINC000006462212 552591442 /nfs/dbraw/zinc/59/14/42/552591442.db2.gz ROHGYLRSHAIERZ-QHCPKHFHSA-N 0 0 537.686 3.872 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462213 552591465 /nfs/dbraw/zinc/59/14/65/552591465.db2.gz VCNHYVXHSHWFNS-NRFANRHFSA-N 0 0 527.622 3.660 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462214 552591428 /nfs/dbraw/zinc/59/14/28/552591428.db2.gz WRRGRVRPICBSOE-QFIPXVFZSA-N 0 0 539.658 3.530 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccc(OC)c1)C(=O)c1snc(C(N)=O)c1N ZINC000006462216 552591426 /nfs/dbraw/zinc/59/14/26/552591426.db2.gz YQFMHQQDDWFOPK-QFIPXVFZSA-N 0 0 539.658 3.530 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N ZINC000006462218 552591446 /nfs/dbraw/zinc/59/14/46/552591446.db2.gz PQYWFCCYERVDBY-NRFANRHFSA-N 0 0 509.632 3.521 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1F)C(=O)c1snc(C(N)=O)c1N ZINC000006462219 552591439 /nfs/dbraw/zinc/59/14/39/552591439.db2.gz PLGGJCMOECNNPK-NRFANRHFSA-N 0 0 527.622 3.660 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1ccccc1OC)C(=O)c1snc(C(N)=O)c1N ZINC000006462220 552591472 /nfs/dbraw/zinc/59/14/72/552591472.db2.gz CDYMEQDEURENHR-QFIPXVFZSA-N 0 0 539.658 3.530 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N ZINC000006462224 552591444 /nfs/dbraw/zinc/59/14/44/552591444.db2.gz PACXGDIFUZDBKA-IBGZPJMESA-N 0 0 515.661 3.583 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 ZINC000006462229 552591474 /nfs/dbraw/zinc/59/14/74/552591474.db2.gz KYZFNFGNRYUYLE-FQEVSTJZSA-N 0 0 513.595 3.665 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 ZINC000006462231 552591438 /nfs/dbraw/zinc/59/14/38/552591438.db2.gz YMRNZVILGYEYNN-NRFANRHFSA-N 0 0 525.631 3.534 40 0 KHABRN CCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)CC)c2ccc(OC)cc2)cc1 ZINC000006462233 552591471 /nfs/dbraw/zinc/59/14/71/552591471.db2.gz WUVZPEOIFZADDJ-QFIPXVFZSA-N 0 0 539.658 3.924 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 ZINC000006462237 552591433 /nfs/dbraw/zinc/59/14/33/552591433.db2.gz NHIZFFWEKKFEFD-NRFANRHFSA-N 0 0 525.631 3.534 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006462242 552591459 /nfs/dbraw/zinc/59/14/59/552591459.db2.gz YNNCHFLCGGDGCD-FQEVSTJZSA-N 0 0 513.620 3.504 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006462243 552591461 /nfs/dbraw/zinc/59/14/61/552591461.db2.gz MDDIZUXVYOFXPL-FQEVSTJZSA-N 0 0 529.688 3.973 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(OC)cc2)cc1 ZINC000006462245 552591453 /nfs/dbraw/zinc/59/14/53/552591453.db2.gz GYKOCWJZPQYALH-QFIPXVFZSA-N 0 0 539.658 3.924 40 0 KHABRN 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O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCCSc1ccccn1 ZINC000006473908 552592148 /nfs/dbraw/zinc/59/21/48/552592148.db2.gz PDANAGWEYPPSDC-UHFFFAOYSA-N 0 0 506.447 3.948 40 0 KHABRN O=C(Cn1nnc(-c2ccccc2)n1)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000006474534 552592700 /nfs/dbraw/zinc/59/27/00/552592700.db2.gz LKVWCHKGGVLBOW-MUUNZHRXSA-N 0 0 553.623 3.683 40 0 KHABRN O=C(Cn1nnc(-c2ccccc2)n1)N(c1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccccn1 ZINC000006474552 552592681 /nfs/dbraw/zinc/59/26/81/552592681.db2.gz BBEVXXJKJANHFZ-HHHXNRCGSA-N 0 0 539.596 3.687 40 0 KHABRN CCCCOC[C@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000006480783 552593598 /nfs/dbraw/zinc/59/35/98/552593598.db2.gz KPBXLCZGZGNIOY-JRVVOHRXSA-N 0 0 507.996 3.611 40 0 KHABRN CCCCOC[C@H]1C[C@]2(C[C@@](C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1 ZINC000006480786 552593576 /nfs/dbraw/zinc/59/35/76/552593576.db2.gz KPBXLCZGZGNIOY-ILFDSTAHSA-N 0 0 507.996 3.611 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](CCC)C(=O)NC2CCCC2)cc1 ZINC000006481038 552593723 /nfs/dbraw/zinc/59/37/23/552593723.db2.gz OWDQBECBOACWJW-IBGZPJMESA-N 0 0 501.653 3.877 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000006481044 552593751 /nfs/dbraw/zinc/59/37/51/552593751.db2.gz JILLLNXDNZGMEQ-CVDCTZTESA-N 0 0 555.657 3.588 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000006481046 552593757 /nfs/dbraw/zinc/59/37/57/552593757.db2.gz JILLLNXDNZGMEQ-XXBNENTESA-N 0 0 555.657 3.588 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000006481048 552593710 /nfs/dbraw/zinc/59/37/10/552593710.db2.gz ADQHNSHQJQHSOU-FQEVSTJZSA-N 0 0 513.620 3.899 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CCC)C(=O)NC2CCCC2)cc1 ZINC000006481065 552593968 /nfs/dbraw/zinc/59/39/68/552593968.db2.gz OWDQBECBOACWJW-LJQANCHMSA-N 0 0 501.653 3.877 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000006481070 552594008 /nfs/dbraw/zinc/59/40/08/552594008.db2.gz JILLLNXDNZGMEQ-WMZHIEFXSA-N 0 0 555.657 3.588 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000006481071 552593966 /nfs/dbraw/zinc/59/39/66/552593966.db2.gz JILLLNXDNZGMEQ-AUSIDOKSSA-N 0 0 555.657 3.588 40 0 KHABRN CCCCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000006481072 552593991 /nfs/dbraw/zinc/59/39/91/552593991.db2.gz ADQHNSHQJQHSOU-HXUWFJFHSA-N 0 0 513.620 3.899 40 0 KHABRN CCCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCC1 ZINC000006481271 552593977 /nfs/dbraw/zinc/59/39/77/552593977.db2.gz OFGCJTQUWRRXJT-FQEVSTJZSA-N 0 0 500.644 3.602 40 0 KHABRN CCCC[C@@H](C(=O)NC1CCCC1)N(CCCOCC)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000006481320 552593975 /nfs/dbraw/zinc/59/39/75/552593975.db2.gz LFQMTMFMDUQRDL-QFIPXVFZSA-N 0 0 505.063 3.866 40 0 KHABRN CCCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006481331 552593986 /nfs/dbraw/zinc/59/39/86/552593986.db2.gz GDVRUKJOLAVKAL-QFIPXVFZSA-N 0 0 524.622 3.597 40 0 KHABRN CCCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCC1 ZINC000006481442 552594148 /nfs/dbraw/zinc/59/41/48/552594148.db2.gz OFGCJTQUWRRXJT-HXUWFJFHSA-N 0 0 500.644 3.602 40 0 KHABRN CCCC[C@H](C(=O)NC1CCCC1)N(CCCOCC)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000006481479 552594109 /nfs/dbraw/zinc/59/41/09/552594109.db2.gz LFQMTMFMDUQRDL-JOCHJYFZSA-N 0 0 505.063 3.866 40 0 KHABRN CCCC[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006481490 552594085 /nfs/dbraw/zinc/59/40/85/552594085.db2.gz GDVRUKJOLAVKAL-JOCHJYFZSA-N 0 0 524.622 3.597 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000006487550 552594359 /nfs/dbraw/zinc/59/43/59/552594359.db2.gz DCEUHQIWSYAUCM-UBXANZILSA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000006487562 552594357 /nfs/dbraw/zinc/59/43/57/552594357.db2.gz DCEUHQIWSYAUCM-YMFQVDJJSA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006487891 552594543 /nfs/dbraw/zinc/59/45/43/552594543.db2.gz GYDNNMCZXFMGBV-WWFXOLRUSA-N 0 0 544.629 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006487919 552594575 /nfs/dbraw/zinc/59/45/75/552594575.db2.gz GYDNNMCZXFMGBV-HTCWZNLXSA-N 0 0 544.629 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000006488161 552594583 /nfs/dbraw/zinc/59/45/83/552594583.db2.gz HZHULAXBXMRUPL-UBXANZILSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000006488217 552594551 /nfs/dbraw/zinc/59/45/51/552594551.db2.gz HZHULAXBXMRUPL-YMFQVDJJSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006488709 552594790 /nfs/dbraw/zinc/59/47/90/552594790.db2.gz XVLIOFNNYQUJHB-WALVNQSHSA-N 0 0 514.603 3.969 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006488727 552594733 /nfs/dbraw/zinc/59/47/33/552594733.db2.gz XVLIOFNNYQUJHB-CINCIDGWSA-N 0 0 514.603 3.969 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000006488931 552594913 /nfs/dbraw/zinc/59/49/13/552594913.db2.gz PRJFWJDJTYZWHK-SPQRHKFCSA-N 0 0 507.793 3.807 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000006488938 552594943 /nfs/dbraw/zinc/59/49/43/552594943.db2.gz PRJFWJDJTYZWHK-KAPURRDVSA-N 0 0 507.793 3.807 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000006489313 552595585 /nfs/dbraw/zinc/59/55/85/552595585.db2.gz NIVQMOQOMNQKAS-DIXABZHVSA-N 0 0 500.576 3.666 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000006489319 552595572 /nfs/dbraw/zinc/59/55/72/552595572.db2.gz NIVQMOQOMNQKAS-WNRWPCNTSA-N 0 0 500.576 3.666 40 0 KHABRN CCCOCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000006500654 552595964 /nfs/dbraw/zinc/59/59/64/552595964.db2.gz CQRCYNWOOAKABY-AREMUKBSSA-N 0 0 519.598 3.537 40 0 KHABRN CCCOCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1 ZINC000006500656 552595986 /nfs/dbraw/zinc/59/59/86/552595986.db2.gz CQRCYNWOOAKABY-SANMLTNESA-N 0 0 519.598 3.537 40 0 KHABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1 ZINC000006500964 552596292 /nfs/dbraw/zinc/59/62/92/552596292.db2.gz XAVCNBPXLXVYLL-FQEVSTJZSA-N 0 0 512.586 3.613 40 0 KHABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(C)c1 ZINC000006500987 552596278 /nfs/dbraw/zinc/59/62/78/552596278.db2.gz SITRVXMEYNNTEX-NRFANRHFSA-N 0 0 508.623 3.782 40 0 KHABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(F)c1 ZINC000006500989 552596277 /nfs/dbraw/zinc/59/62/77/552596277.db2.gz DNNTXZNIEOAETQ-FQEVSTJZSA-N 0 0 512.586 3.613 40 0 KHABRN CCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1F ZINC000006500999 552596271 /nfs/dbraw/zinc/59/62/71/552596271.db2.gz WNWSOFVQYQVPDN-FQEVSTJZSA-N 0 0 512.586 3.613 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006501042 552596281 /nfs/dbraw/zinc/59/62/81/552596281.db2.gz ZWSZTLGUVUNNFQ-QHCPKHFHSA-N 0 0 520.634 3.614 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1 ZINC000006501063 552596279 /nfs/dbraw/zinc/59/62/79/552596279.db2.gz NUHOVWIBEQZGBB-QFIPXVFZSA-N 0 0 524.597 3.757 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(OC)cc1OC ZINC000006501078 552596258 /nfs/dbraw/zinc/59/62/58/552596258.db2.gz WAQIMYDDDSWODL-NRFANRHFSA-N 0 0 510.595 3.519 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(F)c1 ZINC000006501091 552596251 /nfs/dbraw/zinc/59/62/51/552596251.db2.gz NBYVETMCELIRHW-QFIPXVFZSA-N 0 0 524.597 3.757 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1 ZINC000006501114 552596264 /nfs/dbraw/zinc/59/62/64/552596264.db2.gz NCCHCFGLLBBONN-QFIPXVFZSA-N 0 0 506.607 3.618 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1C ZINC000006501121 552596446 /nfs/dbraw/zinc/59/64/46/552596446.db2.gz FPHDOGXTKLDMDM-QHCPKHFHSA-N 0 0 520.634 3.926 40 0 KHABRN CCC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1F ZINC000006501127 552596402 /nfs/dbraw/zinc/59/64/02/552596402.db2.gz JKDWAVLZMNRUQP-QFIPXVFZSA-N 0 0 524.597 3.757 40 0 KHABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(F)c1 ZINC000006501188 552596420 /nfs/dbraw/zinc/59/64/20/552596420.db2.gz BBMPNEPZEKADCX-QFIPXVFZSA-N 0 0 526.613 3.861 40 0 KHABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1 ZINC000006501300 552596390 /nfs/dbraw/zinc/59/63/90/552596390.db2.gz XAVCNBPXLXVYLL-HXUWFJFHSA-N 0 0 512.586 3.613 40 0 KHABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(C)c1 ZINC000006501320 552596449 /nfs/dbraw/zinc/59/64/49/552596449.db2.gz SITRVXMEYNNTEX-OAQYLSRUSA-N 0 0 508.623 3.782 40 0 KHABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cccc(F)c1 ZINC000006501323 552596409 /nfs/dbraw/zinc/59/64/09/552596409.db2.gz DNNTXZNIEOAETQ-HXUWFJFHSA-N 0 0 512.586 3.613 40 0 KHABRN CCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1F ZINC000006501332 552596365 /nfs/dbraw/zinc/59/63/65/552596365.db2.gz WNWSOFVQYQVPDN-HXUWFJFHSA-N 0 0 512.586 3.613 40 0 KHABRN CCC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1 ZINC000006501382 552596577 /nfs/dbraw/zinc/59/65/77/552596577.db2.gz ZWSZTLGUVUNNFQ-HSZRJFAPSA-N 0 0 520.634 3.614 40 0 KHABRN 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ZINC000006601428 552604749 /nfs/dbraw/zinc/60/47/49/552604749.db2.gz SQDJVMHTTRTNLA-RDPSFJRHSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000006601434 552604784 /nfs/dbraw/zinc/60/47/84/552604784.db2.gz OVVJCRJHKPHNAF-RDPSFJRHSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000006601447 552604813 /nfs/dbraw/zinc/60/48/13/552604813.db2.gz SESJMPABJUTSRJ-QPPBQGQZSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1 ZINC000006601448 552604835 /nfs/dbraw/zinc/60/48/35/552604835.db2.gz OTIWMCFNNXUPOS-YKSBVNFPSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1 ZINC000006601450 552604823 /nfs/dbraw/zinc/60/48/23/552604823.db2.gz OXPWKMVRQQLGDA-QPPBQGQZSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000006601456 552604789 /nfs/dbraw/zinc/60/47/89/552604789.db2.gz SQDJVMHTTRTNLA-YKSBVNFPSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000006601463 552604808 /nfs/dbraw/zinc/60/48/08/552604808.db2.gz OVVJCRJHKPHNAF-YKSBVNFPSA-N 0 0 551.669 3.523 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006601469 552605071 /nfs/dbraw/zinc/60/50/71/552605071.db2.gz RDSGEPGNORCWQO-VWLOTQADSA-N 0 0 543.649 3.923 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006601470 552605053 /nfs/dbraw/zinc/60/50/53/552605053.db2.gz RYNCZPYLCVWSSM-QHCPKHFHSA-N 0 0 533.610 3.516 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000006601471 552605065 /nfs/dbraw/zinc/60/50/65/552605065.db2.gz UYUJYKFSXTWRRY-QHCPKHFHSA-N 0 0 549.678 3.985 40 0 KHABRN 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CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(O)cc1 ZINC000006631415 552971233 /nfs/dbraw/zinc/97/12/33/552971233.db2.gz IOBSPGWCAJRSON-DEOSSOPVSA-N 0 0 545.621 3.633 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000006631416 552971168 /nfs/dbraw/zinc/97/11/68/552971168.db2.gz BHWJVLRUYDEOOB-NRFANRHFSA-N 0 0 525.631 3.534 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 ZINC000006631418 552971165 /nfs/dbraw/zinc/97/11/65/552971165.db2.gz RWADUEZTRRXPSK-VWLOTQADSA-N 0 0 559.648 3.936 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(C)o1 ZINC000006631429 552971328 /nfs/dbraw/zinc/97/13/28/552971328.db2.gz IXZCWHBELBCDAV-QHCPKHFHSA-N 0 0 533.610 3.829 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC(C)(C)C)c1ccco1 ZINC000006631434 552971349 /nfs/dbraw/zinc/97/13/49/552971349.db2.gz FEUWQOOMERGOHN-QHCPKHFHSA-N 0 0 506.563 3.922 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000006631438 552971333 /nfs/dbraw/zinc/97/13/33/552971333.db2.gz FWYMFAREPFIVOM-FQEVSTJZSA-N 0 0 513.645 3.731 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1cccs1 ZINC000006631439 552971360 /nfs/dbraw/zinc/97/13/60/552971360.db2.gz DYSVVCLQHSYSKV-FQEVSTJZSA-N 0 0 515.661 3.835 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000006631451 552971344 /nfs/dbraw/zinc/97/13/44/552971344.db2.gz GCJLVOPFVKZVKS-AREMUKBSSA-N 0 0 619.700 3.953 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000006631452 552971390 /nfs/dbraw/zinc/97/13/90/552971390.db2.gz DVSKGWVNRJGMPJ-JOCHJYFZSA-N 0 0 555.657 3.543 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000006631453 552971380 /nfs/dbraw/zinc/97/13/80/552971380.db2.gz KPIVNVKSSBOIIY-AREMUKBSSA-N 0 0 589.674 3.945 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000006631456 552971369 /nfs/dbraw/zinc/97/13/69/552971369.db2.gz PDXZJFFQXDILDO-HSZRJFAPSA-N 0 0 521.643 3.978 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000006631461 552971377 /nfs/dbraw/zinc/97/13/77/552971377.db2.gz YKHVGSVVQJIOMS-JOCHJYFZSA-N 0 0 525.606 3.809 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000006631465 552971385 /nfs/dbraw/zinc/97/13/85/552971385.db2.gz DYTQMVOXDSCMRD-JOCHJYFZSA-N 0 0 527.622 3.912 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(O)cc1 ZINC000006631475 552971375 /nfs/dbraw/zinc/97/13/75/552971375.db2.gz IOBSPGWCAJRSON-XMMPIXPASA-N 0 0 545.621 3.633 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(OC)cc1 ZINC000006631477 552971345 /nfs/dbraw/zinc/97/13/45/552971345.db2.gz BHWJVLRUYDEOOB-OAQYLSRUSA-N 0 0 525.631 3.534 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 ZINC000006631479 552971353 /nfs/dbraw/zinc/97/13/53/552971353.db2.gz RWADUEZTRRXPSK-RUZDIDTESA-N 0 0 559.648 3.936 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(C)o1 ZINC000006631488 552971558 /nfs/dbraw/zinc/97/15/58/552971558.db2.gz IXZCWHBELBCDAV-HSZRJFAPSA-N 0 0 533.610 3.829 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccco1 ZINC000006631492 552971555 /nfs/dbraw/zinc/97/15/55/552971555.db2.gz FEUWQOOMERGOHN-HSZRJFAPSA-N 0 0 506.563 3.922 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000006631496 552971587 /nfs/dbraw/zinc/97/15/87/552971587.db2.gz FWYMFAREPFIVOM-HXUWFJFHSA-N 0 0 513.645 3.731 40 0 KHABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1cccs1 ZINC000006631497 552971625 /nfs/dbraw/zinc/97/16/25/552971625.db2.gz DYSVVCLQHSYSKV-HXUWFJFHSA-N 0 0 515.661 3.835 40 0 KHABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@H]3C1(C)[C@@H]1C(=O)N(c3ccccc3OCC)C(=O)[C@H]12 ZINC000006631502 552971560 /nfs/dbraw/zinc/97/15/60/552971560.db2.gz GTVSMISIUWRXAW-QUSKXDSLSA-N 0 0 586.641 3.925 40 0 KHABRN CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccccc4OCC)C(=O)[C@H]3C1(C)[C@@H]1C(=O)N(c3ccccc3OCC)C(=O)[C@H]12 ZINC000006631508 552971606 /nfs/dbraw/zinc/97/16/06/552971606.db2.gz GTVSMISIUWRXAW-VQDJYMROSA-N 0 0 586.641 3.925 40 0 KHABRN CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cc(C)ccc1C ZINC000006631647 552971533 /nfs/dbraw/zinc/97/15/33/552971533.db2.gz FYAGKTRATKTBKC-FQEVSTJZSA-N 0 0 508.623 3.701 40 0 KHABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000006631751 552971818 /nfs/dbraw/zinc/97/18/18/552971818.db2.gz GMYVKXBQYNAMHV-QFIPXVFZSA-N 0 0 506.607 3.536 40 0 KHABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000006631753 552971805 /nfs/dbraw/zinc/97/18/05/552971805.db2.gz USOOKAUHDNMKQZ-NRFANRHFSA-N 0 0 527.025 3.881 40 0 KHABRN CC[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000006631784 552971797 /nfs/dbraw/zinc/97/17/97/552971797.db2.gz VXXMKUHYEMTENB-NRFANRHFSA-N 0 0 525.009 3.635 40 0 KHABRN CC[C@@H](C(=O)NCCC(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1C ZINC000006631843 552971794 /nfs/dbraw/zinc/97/17/94/552971794.db2.gz PSCSUDCLAUIVDN-NRFANRHFSA-N 0 0 508.623 3.640 40 0 KHABRN CC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccccc1C(F)(F)F ZINC000006631852 552971951 /nfs/dbraw/zinc/97/19/51/552971951.db2.gz NHFBYLOSJKQSFZ-FPOVZHCZSA-N 0 0 530.551 3.774 40 0 KHABRN CC[C@@H](C(=O)NC[C@H]1CCCO1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccccc1C(F)(F)F ZINC000006631859 552971881 /nfs/dbraw/zinc/97/18/81/552971881.db2.gz NHFBYLOSJKQSFZ-CTNGQTDRSA-N 0 0 530.551 3.774 40 0 KHABRN CC[C@@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cc(C)ccc1OC ZINC000006631869 552971860 /nfs/dbraw/zinc/97/18/60/552971860.db2.gz CKMSBQDERSOSEZ-QHCPKHFHSA-N 0 0 516.577 3.924 40 0 KHABRN CC[C@@H](C)NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000006631955 552971878 /nfs/dbraw/zinc/97/18/78/552971878.db2.gz KTKKTYLFACXULQ-NGOKVRLYSA-N 0 0 578.695 3.934 40 0 KHABRN CC[C@@H](C)NS(=O)(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000006631959 552971921 /nfs/dbraw/zinc/97/19/21/552971921.db2.gz KTKKTYLFACXULQ-PIIWDFAUSA-N 0 0 578.695 3.934 40 0 KHABRN CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1cc(C)ccc1C ZINC000006632151 552972287 /nfs/dbraw/zinc/97/22/87/552972287.db2.gz FYAGKTRATKTBKC-HXUWFJFHSA-N 0 0 508.623 3.701 40 0 KHABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000006821009 552972766 /nfs/dbraw/zinc/97/27/66/552972766.db2.gz GMYVKXBQYNAMHV-JOCHJYFZSA-N 0 0 506.607 3.536 40 0 KHABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(OC)c(OC)c1 ZINC000006821010 552972752 /nfs/dbraw/zinc/97/27/52/552972752.db2.gz USOOKAUHDNMKQZ-OAQYLSRUSA-N 0 0 527.025 3.881 40 0 KHABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 ZINC000006821021 552972769 /nfs/dbraw/zinc/97/27/69/552972769.db2.gz LPXUARHWEKYZTN-OAQYLSRUSA-N 0 0 527.025 3.881 40 0 KHABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(C)cc1C ZINC000006821042 552972755 /nfs/dbraw/zinc/97/27/55/552972755.db2.gz ZZIQIBROFQQKRO-JOCHJYFZSA-N 0 0 520.634 3.845 40 0 KHABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1)OCCO2 ZINC000006821056 552972742 /nfs/dbraw/zinc/97/27/42/552972742.db2.gz VXXMKUHYEMTENB-OAQYLSRUSA-N 0 0 525.009 3.635 40 0 KHABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1C ZINC000006821098 552972731 /nfs/dbraw/zinc/97/27/31/552972731.db2.gz NPGBRMOUOOEIPK-OAQYLSRUSA-N 0 0 506.607 3.536 40 0 KHABRN CC[C@H](C(=O)NCCC(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccccc1C ZINC000006821185 552972748 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40 0 KHABRN COc1ccc(OC)c(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000010449584 553337130 /nfs/dbraw/zinc/33/71/30/553337130.db2.gz DPQUAQRGBGNNFW-UHFFFAOYSA-N 0 0 526.611 3.896 40 0 KHABRN COC(=O)C1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000010541914 553337621 /nfs/dbraw/zinc/33/76/21/553337621.db2.gz QWDYDQNOUQYPTF-UHFFFAOYSA-N 0 0 518.941 3.966 40 0 KHABRN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1OC ZINC000010691743 553337630 /nfs/dbraw/zinc/33/76/30/553337630.db2.gz CEBDGWVHNUHBTP-UHFFFAOYSA-N 0 0 515.459 3.911 40 0 KHABRN COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cc1OC ZINC000010693287 553337821 /nfs/dbraw/zinc/33/78/21/553337821.db2.gz PKARZIGFOCGCFS-UHFFFAOYSA-N 0 0 515.459 3.911 40 0 KHABRN CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)sc2c1CCCC2 ZINC000011131804 553338819 /nfs/dbraw/zinc/33/88/19/553338819.db2.gz MGTPMQCKHOQIRA-UHFFFAOYSA-N 0 0 506.646 3.852 40 0 KHABRN CCOC(=O)[C@H]1[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691759 553340582 /nfs/dbraw/zinc/34/05/82/553340582.db2.gz LHFYRGWAOVJSKV-OPYAIIAOSA-N 0 0 518.941 3.877 40 0 KHABRN CCOC(=O)[C@H]1[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691761 553340557 /nfs/dbraw/zinc/34/05/57/553340557.db2.gz LHFYRGWAOVJSKV-LQWHRVPQSA-N 0 0 518.941 3.877 40 0 KHABRN O=C(N1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000011847328 553343748 /nfs/dbraw/zinc/34/37/48/553343748.db2.gz QCLLJGZRKXSNIO-UHFFFAOYSA-N 0 0 502.592 3.681 40 0 KHABRN C[C@H]1O[C@@H](NC(=O)c2ccc(Br)cc2)[C@@H](NC(=O)c2ccc(Br)cc2)O[C@H]1C ZINC000012417205 553365292 /nfs/dbraw/zinc/36/52/92/553365292.db2.gz UKPGDVKOWKJPEK-JARDSOJUSA-N 0 0 512.198 3.847 40 0 KHABRN Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012466562 553367450 /nfs/dbraw/zinc/36/74/50/553367450.db2.gz MXZZVUQFEZDSOO-UHFFFAOYSA-N 0 0 514.658 3.607 40 0 KHABRN NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(C3CCCCC3)cc2)c1N ZINC000012467011 553367474 /nfs/dbraw/zinc/36/74/74/553367474.db2.gz QEIJDMNLFYEKEZ-UHFFFAOYSA-N 0 0 509.607 3.974 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)o1 ZINC000012467388 553367655 /nfs/dbraw/zinc/36/76/55/553367655.db2.gz OPXXSOMEDLJEHR-JOCHJYFZSA-N 0 0 521.574 3.878 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)o1 ZINC000012467392 553367648 /nfs/dbraw/zinc/36/76/48/553367648.db2.gz OPXXSOMEDLJEHR-QFIPXVFZSA-N 0 0 521.574 3.878 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012467404 553367630 /nfs/dbraw/zinc/36/76/30/553367630.db2.gz VYPLCXUREKFRTK-JOCHJYFZSA-N 0 0 521.574 3.565 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012467408 553367644 /nfs/dbraw/zinc/36/76/44/553367644.db2.gz VYPLCXUREKFRTK-QFIPXVFZSA-N 0 0 521.574 3.565 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467772 553367794 /nfs/dbraw/zinc/36/77/94/553367794.db2.gz ZVVUZGGWPULMCC-JOCHJYFZSA-N 0 0 502.600 3.752 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467777 553367860 /nfs/dbraw/zinc/36/78/60/553367860.db2.gz ZVVUZGGWPULMCC-QFIPXVFZSA-N 0 0 502.600 3.752 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467804 553367822 /nfs/dbraw/zinc/36/78/22/553367822.db2.gz QHCVECWHZWWWHT-JOCHJYFZSA-N 0 0 520.590 3.892 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467811 553367818 /nfs/dbraw/zinc/36/78/18/553367818.db2.gz QHCVECWHZWWWHT-QFIPXVFZSA-N 0 0 520.590 3.892 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467815 553367825 /nfs/dbraw/zinc/36/78/25/553367825.db2.gz UDJLTIRLZHDVEZ-JOCHJYFZSA-N 0 0 520.590 3.892 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467821 553367828 /nfs/dbraw/zinc/36/78/28/553367828.db2.gz UDJLTIRLZHDVEZ-QFIPXVFZSA-N 0 0 520.590 3.892 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467838 553368013 /nfs/dbraw/zinc/36/80/13/553368013.db2.gz BDLOQTNMKLQYFO-OAQYLSRUSA-N 0 0 522.656 3.810 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000012467843 553367999 /nfs/dbraw/zinc/36/79/99/553367999.db2.gz BDLOQTNMKLQYFO-NRFANRHFSA-N 0 0 522.656 3.810 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3c4ccc(F)cc4CC[C@@H]3C)cc2c1 ZINC000012469768 553368194 /nfs/dbraw/zinc/36/81/94/553368194.db2.gz RINJTUOWZKOHEE-WZSOFCAESA-N 0 0 504.566 3.772 40 0 KHABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc3c(C)cc4cc(OC)c(OC)cc4n23)n1 ZINC000012470177 553368352 /nfs/dbraw/zinc/36/83/52/553368352.db2.gz FXLDTSOSLTUTHU-UHFFFAOYSA-N 0 0 501.590 3.501 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(=O)NC3CCCC3)c2N)[C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000012472480 553368552 /nfs/dbraw/zinc/36/85/52/553368552.db2.gz ITNMVYAZBCWERS-KRWDZBQOSA-N 0 0 521.643 3.758 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(=O)NC3CCCC3)c2N)[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000012472486 553368513 /nfs/dbraw/zinc/36/85/13/553368513.db2.gz ITNMVYAZBCWERS-QGZVFWFLSA-N 0 0 521.643 3.758 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)o1 ZINC000012472788 553368562 /nfs/dbraw/zinc/36/85/62/553368562.db2.gz ZOBDVCBPEHBRRU-JOCHJYFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)o1 ZINC000012472795 553368592 /nfs/dbraw/zinc/36/85/92/553368592.db2.gz ZOBDVCBPEHBRRU-QFIPXVFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)o1 ZINC000012472799 553368569 /nfs/dbraw/zinc/36/85/69/553368569.db2.gz SGCDXKZFHNCEGQ-JOCHJYFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)o1 ZINC000012472807 553368580 /nfs/dbraw/zinc/36/85/80/553368580.db2.gz SGCDXKZFHNCEGQ-QFIPXVFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)o1 ZINC000012472810 553368503 /nfs/dbraw/zinc/36/85/03/553368503.db2.gz SQEOQIZYANEXRU-JOCHJYFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)o1 ZINC000012472817 553368527 /nfs/dbraw/zinc/36/85/27/553368527.db2.gz SQEOQIZYANEXRU-QFIPXVFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)o1 ZINC000012472916 553368715 /nfs/dbraw/zinc/36/87/15/553368715.db2.gz XSOJWNFMNHBGST-OAQYLSRUSA-N 0 0 507.547 3.569 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)o1 ZINC000012472922 553368720 /nfs/dbraw/zinc/36/87/20/553368720.db2.gz XSOJWNFMNHBGST-NRFANRHFSA-N 0 0 507.547 3.569 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)o1 ZINC000012472930 553368723 /nfs/dbraw/zinc/36/87/23/553368723.db2.gz PWMSLPORWOAXQD-OAQYLSRUSA-N 0 0 507.547 3.569 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)o1 ZINC000012472935 553368737 /nfs/dbraw/zinc/36/87/37/553368737.db2.gz PWMSLPORWOAXQD-NRFANRHFSA-N 0 0 507.547 3.569 40 0 KHABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)cc1 ZINC000012472937 553368717 /nfs/dbraw/zinc/36/87/17/553368717.db2.gz GQJCTJQUFUDQIV-PSXMRANNSA-N 0 0 523.577 3.793 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)o1 ZINC000012472941 553368722 /nfs/dbraw/zinc/36/87/22/553368722.db2.gz AQHQRKNYMAMGHR-OAQYLSRUSA-N 0 0 507.547 3.569 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)o1 ZINC000012472947 553368707 /nfs/dbraw/zinc/36/87/07/553368707.db2.gz AQHQRKNYMAMGHR-NRFANRHFSA-N 0 0 507.547 3.569 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012472982 553368736 /nfs/dbraw/zinc/36/87/36/553368736.db2.gz BKFKDHJKELGZBD-JOCHJYFZSA-N 0 0 521.574 3.565 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012472987 553368725 /nfs/dbraw/zinc/36/87/25/553368725.db2.gz BKFKDHJKELGZBD-QFIPXVFZSA-N 0 0 521.574 3.565 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012473002 553368703 /nfs/dbraw/zinc/36/87/03/553368703.db2.gz KAGMQBOEQNTKLS-HXUWFJFHSA-N 0 0 513.595 3.583 40 0 KHABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCC2)c2ccc(F)c(Cl)c2)cc1 ZINC000012473003 553368711 /nfs/dbraw/zinc/36/87/11/553368711.db2.gz NXAMBHNMDYWBTO-UUWRZZSWSA-N 0 0 508.015 3.567 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012473007 553368731 /nfs/dbraw/zinc/36/87/31/553368731.db2.gz KAGMQBOEQNTKLS-FQEVSTJZSA-N 0 0 513.595 3.583 40 0 KHABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012473013 553368739 /nfs/dbraw/zinc/36/87/39/553368739.db2.gz QVTGQIZCKKZVPW-OAQYLSRUSA-N 0 0 511.623 3.613 40 0 KHABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(F)cc1 ZINC000012473019 553368706 /nfs/dbraw/zinc/36/87/06/553368706.db2.gz QVTGQIZCKKZVPW-NRFANRHFSA-N 0 0 511.623 3.613 40 0 KHABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012473025 553368712 /nfs/dbraw/zinc/36/87/12/553368712.db2.gz AZXPWUVGMGNVGX-OAQYLSRUSA-N 0 0 511.623 3.613 40 0 KHABRN Cc1cccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC(C)(C)C)c2ccc(F)cc2)c1 ZINC000012473031 553368733 /nfs/dbraw/zinc/36/87/33/553368733.db2.gz AZXPWUVGMGNVGX-NRFANRHFSA-N 0 0 511.623 3.613 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000012473106 553368961 /nfs/dbraw/zinc/36/89/61/553368961.db2.gz QYKQXWSAKIKWPS-JOCHJYFZSA-N 0 0 527.622 3.831 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(F)cc1 ZINC000012473113 553368943 /nfs/dbraw/zinc/36/89/43/553368943.db2.gz QYKQXWSAKIKWPS-QFIPXVFZSA-N 0 0 527.622 3.831 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000012473245 553368910 /nfs/dbraw/zinc/36/89/10/553368910.db2.gz XKPHIGGGQPIPFV-JTYJAPAGSA-N 0 0 504.052 3.816 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000012473252 553368893 /nfs/dbraw/zinc/36/88/93/553368893.db2.gz XKPHIGGGQPIPFV-FFZYEISDSA-N 0 0 504.052 3.816 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(F)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000012473272 553368922 /nfs/dbraw/zinc/36/89/22/553368922.db2.gz HTVFIOPOUBHBHE-FXTIPPFDSA-N 0 0 522.042 3.955 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(F)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000012473278 553369078 /nfs/dbraw/zinc/36/90/78/553369078.db2.gz HTVFIOPOUBHBHE-XXICBBBGSA-N 0 0 522.042 3.955 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc2c1CCCC2 ZINC000012473361 553369048 /nfs/dbraw/zinc/36/90/48/553369048.db2.gz MOQCUKDHGFYDOW-JGEXTMCWSA-N 0 0 527.662 3.872 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc2c1CCCC2 ZINC000012473368 553369103 /nfs/dbraw/zinc/36/91/03/553369103.db2.gz MOQCUKDHGFYDOW-WYLSIVMYSA-N 0 0 527.662 3.872 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012473398 553369057 /nfs/dbraw/zinc/36/90/57/553369057.db2.gz AUSWBSIABGJGGS-JOCHJYFZSA-N 0 0 525.606 3.809 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000012473402 553369083 /nfs/dbraw/zinc/36/90/83/553369083.db2.gz AUSWBSIABGJGGS-QFIPXVFZSA-N 0 0 525.606 3.809 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000012473409 553369050 /nfs/dbraw/zinc/36/90/50/553369050.db2.gz HDOOZRWKPLFJDF-JOCHJYFZSA-N 0 0 525.606 3.809 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000012473415 553369094 /nfs/dbraw/zinc/36/90/94/553369094.db2.gz HDOOZRWKPLFJDF-QFIPXVFZSA-N 0 0 525.606 3.809 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012473420 553369055 /nfs/dbraw/zinc/36/90/55/553369055.db2.gz POQBCSCGTYMHGO-OAQYLSRUSA-N 0 0 513.570 3.939 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012473427 553369097 /nfs/dbraw/zinc/36/90/97/553369097.db2.gz POQBCSCGTYMHGO-NRFANRHFSA-N 0 0 513.570 3.939 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012473431 553369099 /nfs/dbraw/zinc/36/90/99/553369099.db2.gz LDEZFWRISUVVQX-OAQYLSRUSA-N 0 0 513.570 3.939 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012473436 553369075 /nfs/dbraw/zinc/36/90/75/553369075.db2.gz LDEZFWRISUVVQX-NRFANRHFSA-N 0 0 513.570 3.939 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012473441 553369373 /nfs/dbraw/zinc/36/93/73/553369373.db2.gz ORNBWXYMNMYGQH-OAQYLSRUSA-N 0 0 513.570 3.939 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012473447 553369371 /nfs/dbraw/zinc/36/93/71/553369371.db2.gz ORNBWXYMNMYGQH-NRFANRHFSA-N 0 0 513.570 3.939 40 0 KHABRN NC(=O)c1nsc(C(=O)N([C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)C2CCCCC2)c1N ZINC000012473452 553369367 /nfs/dbraw/zinc/36/93/67/553369367.db2.gz HQOSZBHEAOCTRP-OAQYLSRUSA-N 0 0 501.628 3.928 40 0 KHABRN NC(=O)c1nsc(C(=O)N([C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)C2CCCCC2)c1N ZINC000012473458 553369375 /nfs/dbraw/zinc/36/93/75/553369375.db2.gz HQOSZBHEAOCTRP-NRFANRHFSA-N 0 0 501.628 3.928 40 0 KHABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1 ZINC000012473511 553369358 /nfs/dbraw/zinc/36/93/58/553369358.db2.gz FPPVKRPJEWFTOC-UUWRZZSWSA-N 0 0 504.052 3.818 40 0 KHABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)c(Cl)c2)cc1 ZINC000012473523 553369370 /nfs/dbraw/zinc/36/93/70/553369370.db2.gz DUNBYZZVGFUXKS-PGUFJCEWSA-N 0 0 522.042 3.957 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012473558 553369360 /nfs/dbraw/zinc/36/93/60/553369360.db2.gz SFQBCXDKLOSPBV-JOCHJYFZSA-N 0 0 525.606 3.727 40 0 KHABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc2c1CCCC2)NC1CCCCC1 ZINC000012473562 553369369 /nfs/dbraw/zinc/36/93/69/553369369.db2.gz MBCWPNZAZILNFC-DIPNUNPCSA-N 0 0 527.662 3.874 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012473566 553369321 /nfs/dbraw/zinc/36/93/21/553369321.db2.gz SFQBCXDKLOSPBV-QFIPXVFZSA-N 0 0 525.606 3.727 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000012473635 553369334 /nfs/dbraw/zinc/36/93/34/553369334.db2.gz YQMQAXUXYCZXTB-OAQYLSRUSA-N 0 0 513.570 3.545 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1N ZINC000012473641 553369366 /nfs/dbraw/zinc/36/93/66/553369366.db2.gz YQMQAXUXYCZXTB-NRFANRHFSA-N 0 0 513.570 3.545 40 0 KHABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012473689 553369430 /nfs/dbraw/zinc/36/94/30/553369430.db2.gz WFJCAPVXJCWZCV-HSZRJFAPSA-N 0 0 523.634 3.757 40 0 KHABRN Cc1ccccc1CCN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000012473695 553369426 /nfs/dbraw/zinc/36/94/26/553369426.db2.gz WFJCAPVXJCWZCV-QHCPKHFHSA-N 0 0 523.634 3.757 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000012473710 553369432 /nfs/dbraw/zinc/36/94/32/553369432.db2.gz NRRVNGDIXVHGPZ-HSZRJFAPSA-N 0 0 517.586 3.976 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000012473716 553369460 /nfs/dbraw/zinc/36/94/60/553369460.db2.gz NRRVNGDIXVHGPZ-QHCPKHFHSA-N 0 0 517.586 3.976 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012473721 553369434 /nfs/dbraw/zinc/36/94/34/553369434.db2.gz VBJPXDNIFLRHCX-WHGDAVGDSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000012473722 553369444 /nfs/dbraw/zinc/36/94/44/553369444.db2.gz RAMFDSGUUDJKJR-HSZRJFAPSA-N 0 0 517.586 3.976 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012473727 553369445 /nfs/dbraw/zinc/36/94/45/553369445.db2.gz VBJPXDNIFLRHCX-KSLSGZMSSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000012473728 553369409 /nfs/dbraw/zinc/36/94/09/553369409.db2.gz RAMFDSGUUDJKJR-QHCPKHFHSA-N 0 0 517.586 3.976 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000012473735 553369421 /nfs/dbraw/zinc/36/94/21/553369421.db2.gz BCGZSVVCFYOIMP-HSZRJFAPSA-N 0 0 517.586 3.976 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000012473739 553369469 /nfs/dbraw/zinc/36/94/69/553369469.db2.gz BCGZSVVCFYOIMP-QHCPKHFHSA-N 0 0 517.586 3.976 40 0 KHABRN NC(=O)c1nsc(C(=O)N([C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)C2CCCCC2)c1N ZINC000012473744 553369462 /nfs/dbraw/zinc/36/94/62/553369462.db2.gz CWYUVQBGTUCNKC-JOCHJYFZSA-N 0 0 509.607 3.796 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012473749 553369454 /nfs/dbraw/zinc/36/94/54/553369454.db2.gz PWSXOMKWLONTQU-WHGDAVGDSA-N 0 0 501.624 3.692 40 0 KHABRN NC(=O)c1nsc(C(=O)N([C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)C2CCCCC2)c1N ZINC000012473750 553369410 /nfs/dbraw/zinc/36/94/10/553369410.db2.gz CWYUVQBGTUCNKC-QFIPXVFZSA-N 0 0 509.607 3.796 40 0 KHABRN Cc1ccc(NC(=O)C[S@@](=O)CC(=O)N(c2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012473756 553369472 /nfs/dbraw/zinc/36/94/72/553369472.db2.gz PWSXOMKWLONTQU-KSLSGZMSSA-N 0 0 501.624 3.692 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000012473766 553369439 /nfs/dbraw/zinc/36/94/39/553369439.db2.gz KRFXXIALCBOEHD-HSZRJFAPSA-N 0 0 517.586 3.663 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000012473770 553369452 /nfs/dbraw/zinc/36/94/52/553369452.db2.gz KRFXXIALCBOEHD-QHCPKHFHSA-N 0 0 517.586 3.663 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c1C ZINC000012473808 553369456 /nfs/dbraw/zinc/36/94/56/553369456.db2.gz PFYAADITNJUUJJ-QFIPXVFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c1C ZINC000012473813 553369464 /nfs/dbraw/zinc/36/94/64/553369464.db2.gz PFYAADITNJUUJJ-JOCHJYFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c(C)c1 ZINC000012473817 553369406 /nfs/dbraw/zinc/36/94/06/553369406.db2.gz RROBHZUAXWOFAE-QFIPXVFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c(C)c1 ZINC000012473823 553369703 /nfs/dbraw/zinc/36/97/03/553369703.db2.gz RROBHZUAXWOFAE-JOCHJYFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c1 ZINC000012473828 553369670 /nfs/dbraw/zinc/36/96/70/553369670.db2.gz ULKJDJKQWDRTPX-QFIPXVFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c1 ZINC000012473833 553369707 /nfs/dbraw/zinc/36/97/07/553369707.db2.gz ULKJDJKQWDRTPX-JOCHJYFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(O)cc2)cc1C ZINC000012473838 553369679 /nfs/dbraw/zinc/36/96/79/553369679.db2.gz XVVSLDZIJPUSML-QFIPXVFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(O)cc2)cc1C ZINC000012473843 553369710 /nfs/dbraw/zinc/36/97/10/553369710.db2.gz XVVSLDZIJPUSML-JOCHJYFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c1 ZINC000012473849 553369719 /nfs/dbraw/zinc/36/97/19/553369719.db2.gz WRDHJITUCREBQY-QFIPXVFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(O)cc2)c1 ZINC000012473853 553369720 /nfs/dbraw/zinc/36/97/20/553369720.db2.gz WRDHJITUCREBQY-JOCHJYFZSA-N 0 0 509.632 3.697 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 ZINC000012474153 553369838 /nfs/dbraw/zinc/36/98/38/553369838.db2.gz NZLQCZRUIUGBQR-JOCHJYFZSA-N 0 0 507.616 3.675 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1 ZINC000012474158 553369800 /nfs/dbraw/zinc/36/98/00/553369800.db2.gz NZLQCZRUIUGBQR-QFIPXVFZSA-N 0 0 507.616 3.675 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012474163 553370070 /nfs/dbraw/zinc/37/00/70/553370070.db2.gz LDZGWNKWBGYYFZ-JOCHJYFZSA-N 0 0 507.616 3.675 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012474168 553370022 /nfs/dbraw/zinc/37/00/22/553370022.db2.gz LDZGWNKWBGYYFZ-QFIPXVFZSA-N 0 0 507.616 3.675 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1 ZINC000012474182 553370025 /nfs/dbraw/zinc/37/00/25/553370025.db2.gz RGXBFLJIQCRELE-HSZRJFAPSA-N 0 0 521.643 3.984 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c(C)c1 ZINC000012474189 553370063 /nfs/dbraw/zinc/37/00/63/553370063.db2.gz RGXBFLJIQCRELE-QHCPKHFHSA-N 0 0 521.643 3.984 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012474192 553370024 /nfs/dbraw/zinc/37/00/24/553370024.db2.gz ABEBNYXIMCNMPP-HSZRJFAPSA-N 0 0 521.643 3.984 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012474197 553370066 /nfs/dbraw/zinc/37/00/66/553370066.db2.gz ABEBNYXIMCNMPP-QHCPKHFHSA-N 0 0 521.643 3.984 40 0 KHABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012474199 553370031 /nfs/dbraw/zinc/37/00/31/553370031.db2.gz JFSIJQFAZWQISJ-HSZRJFAPSA-N 0 0 521.643 3.984 40 0 KHABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)c1 ZINC000012474202 553370044 /nfs/dbraw/zinc/37/00/44/553370044.db2.gz JFSIJQFAZWQISJ-QHCPKHFHSA-N 0 0 521.643 3.984 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(O)cc1 ZINC000012474313 553370055 /nfs/dbraw/zinc/37/00/55/553370055.db2.gz KPUFEUIQPPQSQC-HSZRJFAPSA-N 0 0 515.595 3.543 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(O)cc1 ZINC000012474318 553370035 /nfs/dbraw/zinc/37/00/35/553370035.db2.gz KPUFEUIQPPQSQC-QHCPKHFHSA-N 0 0 515.595 3.543 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000012474324 553370077 /nfs/dbraw/zinc/37/00/77/553370077.db2.gz OSVQDIYJKCHWOR-HSZRJFAPSA-N 0 0 515.595 3.543 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000012474330 553370068 /nfs/dbraw/zinc/37/00/68/553370068.db2.gz OSVQDIYJKCHWOR-QHCPKHFHSA-N 0 0 515.595 3.543 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1 ZINC000012474336 553370061 /nfs/dbraw/zinc/37/00/61/553370061.db2.gz MYHNJBIPHSSFPM-HSZRJFAPSA-N 0 0 515.595 3.543 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1 ZINC000012474341 553370050 /nfs/dbraw/zinc/37/00/50/553370050.db2.gz MYHNJBIPHSSFPM-QHCPKHFHSA-N 0 0 515.595 3.543 40 0 KHABRN COc1ccc2cc(CN(CCc3ccc(OC)c(OC)c3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000012474482 553370257 /nfs/dbraw/zinc/37/02/57/553370257.db2.gz CHDOZWGVVNNMNP-QFIPXVFZSA-N 0 0 511.644 3.652 40 0 KHABRN COc1ccc2cc(CN(CCc3ccc(OC)c(OC)c3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000012474487 553370212 /nfs/dbraw/zinc/37/02/12/553370212.db2.gz CHDOZWGVVNNMNP-JOCHJYFZSA-N 0 0 511.644 3.652 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)o1 ZINC000012475526 553370737 /nfs/dbraw/zinc/37/07/37/553370737.db2.gz VHXDUOFDSMQZCD-AREMUKBSSA-N 0 0 501.543 3.895 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)o1 ZINC000012475534 553370792 /nfs/dbraw/zinc/37/07/92/553370792.db2.gz VHXDUOFDSMQZCD-SANMLTNESA-N 0 0 501.543 3.895 40 0 KHABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1nc2c(s1)CCCC2 ZINC000012475616 553370999 /nfs/dbraw/zinc/37/09/99/553370999.db2.gz IIAMDAILPKLEBY-UHFFFAOYSA-N 0 0 505.647 3.587 40 0 KHABRN O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1)Nc1nc2ccccc2s1 ZINC000012475623 553370997 /nfs/dbraw/zinc/37/09/97/553370997.db2.gz XZYIBASBFIOSOP-UHFFFAOYSA-N 0 0 501.615 3.862 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](CC(C)C)C(=O)NC(C)(C)C)c(OC)c1 ZINC000012476748 553371653 /nfs/dbraw/zinc/37/16/53/553371653.db2.gz VJDXYWWVWVFVGW-FQEVSTJZSA-N 0 0 512.611 3.621 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](CC(C)C)C(=O)NC(C)(C)C)c(OC)c1 ZINC000012476753 553371676 /nfs/dbraw/zinc/37/16/76/553371676.db2.gz VJDXYWWVWVFVGW-HXUWFJFHSA-N 0 0 512.611 3.621 40 0 KHABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012476869 553371651 /nfs/dbraw/zinc/37/16/51/553371651.db2.gz YFXKRDDKWIHXTQ-LADGPHEKSA-N 0 0 525.053 3.966 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012476874 553371667 /nfs/dbraw/zinc/37/16/67/553371667.db2.gz YFXKRDDKWIHXTQ-UPVQGACJSA-N 0 0 525.053 3.966 40 0 KHABRN Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012476879 553371658 /nfs/dbraw/zinc/37/16/58/553371658.db2.gz YFXKRDDKWIHXTQ-ISKFKSNPSA-N 0 0 525.053 3.966 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000012476885 553371648 /nfs/dbraw/zinc/37/16/48/553371648.db2.gz YFXKRDDKWIHXTQ-VWNXMTODSA-N 0 0 525.053 3.966 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)cc3)n2)o1 ZINC000012477127 553371961 /nfs/dbraw/zinc/37/19/61/553371961.db2.gz MJBGTUQEXAWDPZ-XMMPIXPASA-N 0 0 502.575 3.945 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)cc3)n2)o1 ZINC000012477133 553371958 /nfs/dbraw/zinc/37/19/58/553371958.db2.gz MJBGTUQEXAWDPZ-DEOSSOPVSA-N 0 0 502.575 3.945 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 ZINC000012477166 553371906 /nfs/dbraw/zinc/37/19/06/553371906.db2.gz XOWNOMZVDUSLEZ-OAQYLSRUSA-N 0 0 509.632 3.752 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1 ZINC000012477171 553371885 /nfs/dbraw/zinc/37/18/85/553371885.db2.gz XOWNOMZVDUSLEZ-NRFANRHFSA-N 0 0 509.632 3.752 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)o1 ZINC000012477205 553371928 /nfs/dbraw/zinc/37/19/28/553371928.db2.gz BEXNNQWATQTFKJ-SIKLNZKXSA-N 0 0 515.014 3.559 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)o1 ZINC000012477212 553371979 /nfs/dbraw/zinc/37/19/79/553371979.db2.gz BEXNNQWATQTFKJ-DENIHFKCSA-N 0 0 515.014 3.559 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)o1 ZINC000012477217 553371984 /nfs/dbraw/zinc/37/19/84/553371984.db2.gz BEXNNQWATQTFKJ-UGKGYDQZSA-N 0 0 515.014 3.559 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC(C)(C)C)c3ccc(Cl)cc3)n2)o1 ZINC000012477226 553371917 /nfs/dbraw/zinc/37/19/17/553371917.db2.gz BEXNNQWATQTFKJ-KNQAVFIVSA-N 0 0 515.014 3.559 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 ZINC000012477412 553372053 /nfs/dbraw/zinc/37/20/53/553372053.db2.gz BUYCSXUIKCAJRV-HSZRJFAPSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 ZINC000012477417 553372051 /nfs/dbraw/zinc/37/20/51/553372051.db2.gz BUYCSXUIKCAJRV-QHCPKHFHSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477464 553372309 /nfs/dbraw/zinc/37/23/09/553372309.db2.gz RSNHIHYFQRWPOJ-XMMPIXPASA-N 0 0 502.575 3.632 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477468 553372316 /nfs/dbraw/zinc/37/23/16/553372316.db2.gz RSNHIHYFQRWPOJ-DEOSSOPVSA-N 0 0 502.575 3.632 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477474 553372317 /nfs/dbraw/zinc/37/23/17/553372317.db2.gz XFCRSIGOEJVGBO-XMMPIXPASA-N 0 0 520.565 3.771 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477480 553372269 /nfs/dbraw/zinc/37/22/69/553372269.db2.gz XFCRSIGOEJVGBO-DEOSSOPVSA-N 0 0 520.565 3.771 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477496 553372294 /nfs/dbraw/zinc/37/22/94/553372294.db2.gz AMGVTBLNSHQPLS-JOCHJYFZSA-N 0 0 508.604 3.693 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477501 553372321 /nfs/dbraw/zinc/37/23/21/553372321.db2.gz AMGVTBLNSHQPLS-QFIPXVFZSA-N 0 0 508.604 3.693 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477590 553372324 /nfs/dbraw/zinc/37/23/24/553372324.db2.gz JPWLEXHNIYNIMB-XMMPIXPASA-N 0 0 502.575 3.945 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477594 553372280 /nfs/dbraw/zinc/37/22/80/553372280.db2.gz JPWLEXHNIYNIMB-DEOSSOPVSA-N 0 0 502.575 3.945 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477640 553372417 /nfs/dbraw/zinc/37/24/17/553372417.db2.gz VWUOHICSVFIOGD-HSZRJFAPSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477647 553372365 /nfs/dbraw/zinc/37/23/65/553372365.db2.gz VWUOHICSVFIOGD-QHCPKHFHSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477653 553372397 /nfs/dbraw/zinc/37/23/97/553372397.db2.gz AAEOGTPTAVCOSY-HSZRJFAPSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477658 553372383 /nfs/dbraw/zinc/37/23/83/553372383.db2.gz AAEOGTPTAVCOSY-QHCPKHFHSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477667 553372440 /nfs/dbraw/zinc/37/24/40/553372440.db2.gz URETYVOILPOAPO-HSZRJFAPSA-N 0 0 506.538 3.775 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@H](C(=O)NC(C)(C)C)c3ccc(O)cc3)n2)o1 ZINC000012477671 553372422 /nfs/dbraw/zinc/37/24/22/553372422.db2.gz URETYVOILPOAPO-QHCPKHFHSA-N 0 0 506.538 3.775 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477788 553372703 /nfs/dbraw/zinc/37/27/03/553372703.db2.gz ZWAZNHKTDQWEAS-HSZRJFAPSA-N 0 0 522.631 3.996 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477794 553372664 /nfs/dbraw/zinc/37/26/64/553372664.db2.gz ZWAZNHKTDQWEAS-QHCPKHFHSA-N 0 0 522.631 3.996 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477800 553372697 /nfs/dbraw/zinc/37/26/97/553372697.db2.gz PUBDUOYJEMNZSJ-HSZRJFAPSA-N 0 0 506.563 3.528 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012477806 553372717 /nfs/dbraw/zinc/37/27/17/553372717.db2.gz PUBDUOYJEMNZSJ-QHCPKHFHSA-N 0 0 506.563 3.528 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccccc2)cc1 ZINC000012477811 553372670 /nfs/dbraw/zinc/37/26/70/553372670.db2.gz YZPXMXGGGOOOMU-XMMPIXPASA-N 0 0 502.575 3.939 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)c2ccccc2)cc1 ZINC000012477816 553372711 /nfs/dbraw/zinc/37/27/11/553372711.db2.gz YZPXMXGGGOOOMU-DEOSSOPVSA-N 0 0 502.575 3.939 40 0 KHABRN COc1cc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C2CCCC2)ccc1O ZINC000012477883 553372688 /nfs/dbraw/zinc/37/26/88/553372688.db2.gz JHPXWLMAVJWTSW-RUZDIDTESA-N 0 0 520.634 3.790 40 0 KHABRN COc1cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C2CCCC2)ccc1O ZINC000012477889 553372666 /nfs/dbraw/zinc/37/26/66/553372666.db2.gz JHPXWLMAVJWTSW-VWLOTQADSA-N 0 0 520.634 3.790 40 0 KHABRN COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccco1 ZINC000012478192 553372834 /nfs/dbraw/zinc/37/28/34/553372834.db2.gz TWVKMQKSTKSNFR-HSZRJFAPSA-N 0 0 506.563 3.841 40 0 KHABRN COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC(C)(C)C)c1ccco1 ZINC000012478197 553372845 /nfs/dbraw/zinc/37/28/45/553372845.db2.gz TWVKMQKSTKSNFR-QHCPKHFHSA-N 0 0 506.563 3.841 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC ZINC000012478200 553372902 /nfs/dbraw/zinc/37/29/02/553372902.db2.gz IFLIVOQWTZMVJU-HSZRJFAPSA-N 0 0 522.562 3.541 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1OC ZINC000012478206 553372886 /nfs/dbraw/zinc/37/28/86/553372886.db2.gz IFLIVOQWTZMVJU-QHCPKHFHSA-N 0 0 522.562 3.541 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC(C)(C)C)c1ccc(C)o1 ZINC000012478537 553373264 /nfs/dbraw/zinc/37/32/64/553373264.db2.gz YIVBJFYVGFJKRA-HSZRJFAPSA-N 0 0 506.563 3.841 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC(C)(C)C)c1ccc(C)o1 ZINC000012478542 553373244 /nfs/dbraw/zinc/37/32/44/553373244.db2.gz YIVBJFYVGFJKRA-QHCPKHFHSA-N 0 0 506.563 3.841 40 0 KHABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)c1 ZINC000012478546 553373276 /nfs/dbraw/zinc/37/32/76/553373276.db2.gz DFVCOYTXWJMQLN-HSZRJFAPSA-N 0 0 506.563 3.841 40 0 KHABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)c1 ZINC000012478552 553373291 /nfs/dbraw/zinc/37/32/91/553373291.db2.gz DFVCOYTXWJMQLN-QHCPKHFHSA-N 0 0 506.563 3.841 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000012478587 553373262 /nfs/dbraw/zinc/37/32/62/553373262.db2.gz XSCOGCUOFCEDOQ-HSZRJFAPSA-N 0 0 506.563 3.841 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000012478591 553373281 /nfs/dbraw/zinc/37/32/81/553373281.db2.gz XSCOGCUOFCEDOQ-QHCPKHFHSA-N 0 0 506.563 3.841 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012479434 553373566 /nfs/dbraw/zinc/37/35/66/553373566.db2.gz FTNVODZEXGYIJX-QFIPXVFZSA-N 0 0 511.623 3.818 40 0 KHABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012479440 553373604 /nfs/dbraw/zinc/37/36/04/553373604.db2.gz FTNVODZEXGYIJX-JOCHJYFZSA-N 0 0 511.623 3.818 40 0 KHABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000012479453 553373720 /nfs/dbraw/zinc/37/37/20/553373720.db2.gz ZRCUKRWWIZEUKN-HSZRJFAPSA-N 0 0 523.659 3.687 40 0 KHABRN COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000012479462 553373700 /nfs/dbraw/zinc/37/37/00/553373700.db2.gz ZRCUKRWWIZEUKN-QHCPKHFHSA-N 0 0 523.659 3.687 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCCC(C)C)c1ccc(C)cc1 ZINC000012479639 553373723 /nfs/dbraw/zinc/37/37/23/553373723.db2.gz ARYRNNVLMXHQFG-JOCHJYFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCCC(C)C)c1ccc(C)cc1 ZINC000012479643 553373756 /nfs/dbraw/zinc/37/37/56/553373756.db2.gz ARYRNNVLMXHQFG-QFIPXVFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)c1 ZINC000012479648 553373737 /nfs/dbraw/zinc/37/37/37/553373737.db2.gz XVXVUMYXTIONOO-JOCHJYFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)c1 ZINC000012479653 553373747 /nfs/dbraw/zinc/37/37/47/553373747.db2.gz XVXVUMYXTIONOO-QFIPXVFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000012479658 553373765 /nfs/dbraw/zinc/37/37/65/553373765.db2.gz YLUHRNUSHYOGSI-JOCHJYFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000012479664 553373735 /nfs/dbraw/zinc/37/37/35/553373735.db2.gz YLUHRNUSHYOGSI-QFIPXVFZSA-N 0 0 509.632 3.692 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NCCC(C)C)c3ccc(O)cc3)n2)cc1 ZINC000012479782 553373940 /nfs/dbraw/zinc/37/39/40/553373940.db2.gz ABKDYJQTUZTNCO-SANMLTNESA-N 0 0 516.602 3.880 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NCCC(C)C)c3ccc(O)cc3)n2)cc1 ZINC000012479789 553373968 /nfs/dbraw/zinc/37/39/68/553373968.db2.gz ABKDYJQTUZTNCO-AREMUKBSSA-N 0 0 516.602 3.880 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000012479802 553373961 /nfs/dbraw/zinc/37/39/61/553373961.db2.gz VFXCWQWPUPRKPV-RBJSKKJNSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000012479808 553373952 /nfs/dbraw/zinc/37/39/52/553373952.db2.gz VFXCWQWPUPRKPV-CUBQBAPOSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000012479818 553373944 /nfs/dbraw/zinc/37/39/44/553373944.db2.gz VFXCWQWPUPRKPV-UFHPHHKVSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000012479824 553373958 /nfs/dbraw/zinc/37/39/58/553373958.db2.gz VFXCWQWPUPRKPV-YWEHKCAJSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479830 553373923 /nfs/dbraw/zinc/37/39/23/553373923.db2.gz TWQMEAGCVBWJLY-NEKDWFFYSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479836 553373927 /nfs/dbraw/zinc/37/39/27/553373927.db2.gz TWQMEAGCVBWJLY-FIPFOOKPSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479841 553374115 /nfs/dbraw/zinc/37/41/15/553374115.db2.gz TWQMEAGCVBWJLY-QDPGVEIFSA-N 0 0 513.598 3.505 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479846 553374090 /nfs/dbraw/zinc/37/40/90/553374090.db2.gz TWQMEAGCVBWJLY-LXFBAYGMSA-N 0 0 513.598 3.505 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479852 553374093 /nfs/dbraw/zinc/37/40/93/553374093.db2.gz YFNOCLYEZVYMIA-WXVAWEFUSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479858 553374065 /nfs/dbraw/zinc/37/40/65/553374065.db2.gz YFNOCLYEZVYMIA-CUNXSJBXSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479865 553374142 /nfs/dbraw/zinc/37/41/42/553374142.db2.gz YFNOCLYEZVYMIA-AJTFRIOCSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1F)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479871 553374075 /nfs/dbraw/zinc/37/40/75/553374075.db2.gz YFNOCLYEZVYMIA-AMGIVPHBSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479877 553374127 /nfs/dbraw/zinc/37/41/27/553374127.db2.gz PUAPXHFHBARXEZ-WNCULLNHSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479882 553374078 /nfs/dbraw/zinc/37/40/78/553374078.db2.gz PUAPXHFHBARXEZ-HOFKKMOUSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479887 553374087 /nfs/dbraw/zinc/37/40/87/553374087.db2.gz PUAPXHFHBARXEZ-YIXXDRMTSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479893 553374139 /nfs/dbraw/zinc/37/41/39/553374139.db2.gz PUAPXHFHBARXEZ-KCWPFWIISA-N 0 0 501.562 3.636 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479949 553374108 /nfs/dbraw/zinc/37/41/08/553374108.db2.gz BBMZHAGYKBNFBN-ABYGYWHVSA-N 0 0 511.626 3.848 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000012479955 553374104 /nfs/dbraw/zinc/37/41/04/553374104.db2.gz BBMZHAGYKBNFBN-SVEHJYQDSA-N 0 0 511.626 3.848 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NCCC(C)C)c3ccco3)n2)cc1 ZINC000012479957 553374117 /nfs/dbraw/zinc/37/41/17/553374117.db2.gz DJUDGZPINFYNRD-VWLOTQADSA-N 0 0 502.575 3.884 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NCCC(C)C)c3ccco3)n2)cc1 ZINC000012479962 553374060 /nfs/dbraw/zinc/37/40/60/553374060.db2.gz DJUDGZPINFYNRD-RUZDIDTESA-N 0 0 502.575 3.884 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479963 553374101 /nfs/dbraw/zinc/37/41/01/553374101.db2.gz BBMZHAGYKBNFBN-VAVYLYDRSA-N 0 0 511.626 3.848 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012479972 553374118 /nfs/dbraw/zinc/37/41/18/553374118.db2.gz BBMZHAGYKBNFBN-IRPSRAIASA-N 0 0 511.626 3.848 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)o1 ZINC000012479994 553374057 /nfs/dbraw/zinc/37/40/57/553374057.db2.gz LOIXOHOZVZYRHD-DEOSSOPVSA-N 0 0 508.554 3.906 40 0 KHABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)o1 ZINC000012479998 553374053 /nfs/dbraw/zinc/37/40/53/553374053.db2.gz LOIXOHOZVZYRHD-XMMPIXPASA-N 0 0 508.554 3.906 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 ZINC000012480026 553374069 /nfs/dbraw/zinc/37/40/69/553374069.db2.gz IFXUFXMGYBLUIV-RBISFHTESA-N 0 0 529.597 3.518 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 ZINC000012480032 553374113 /nfs/dbraw/zinc/37/41/13/553374113.db2.gz IFXUFXMGYBLUIV-DWACAAAGSA-N 0 0 529.597 3.518 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 ZINC000012480037 553374083 /nfs/dbraw/zinc/37/40/83/553374083.db2.gz IFXUFXMGYBLUIV-SKCUWOTOSA-N 0 0 529.597 3.518 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(Cl)cc2)o1 ZINC000012480040 553374133 /nfs/dbraw/zinc/37/41/33/553374133.db2.gz CARBIKQFIRPJDR-IBGZPJMESA-N 0 0 504.012 3.929 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)cc1 ZINC000012480041 553374097 /nfs/dbraw/zinc/37/40/97/553374097.db2.gz IFXUFXMGYBLUIV-DFHRPNOPSA-N 0 0 529.597 3.518 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000012480049 553374146 /nfs/dbraw/zinc/37/41/46/553374146.db2.gz DQUMGEYUPVHEPG-RBJSKKJNSA-N 0 0 529.597 3.518 40 0 KHABRN Cc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(Cl)cc2)o1 ZINC000012480050 553374137 /nfs/dbraw/zinc/37/41/37/553374137.db2.gz CARBIKQFIRPJDR-LJQANCHMSA-N 0 0 504.012 3.929 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000012480056 553374238 /nfs/dbraw/zinc/37/42/38/553374238.db2.gz DQUMGEYUPVHEPG-CUBQBAPOSA-N 0 0 529.597 3.518 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000012480062 553374230 /nfs/dbraw/zinc/37/42/30/553374230.db2.gz DQUMGEYUPVHEPG-UFHPHHKVSA-N 0 0 529.597 3.518 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)cc2)cc1 ZINC000012480067 553374274 /nfs/dbraw/zinc/37/42/74/553374274.db2.gz DQUMGEYUPVHEPG-YWEHKCAJSA-N 0 0 529.597 3.518 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012480073 553374294 /nfs/dbraw/zinc/37/42/94/553374294.db2.gz UEWAFDCVELEFBJ-KDYSTLNUSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012480081 553374266 /nfs/dbraw/zinc/37/42/66/553374266.db2.gz UEWAFDCVELEFBJ-IDISGSTGSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012480086 553374276 /nfs/dbraw/zinc/37/42/76/553374276.db2.gz UEWAFDCVELEFBJ-JIPXPUAJSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012480092 553374281 /nfs/dbraw/zinc/37/42/81/553374281.db2.gz UEWAFDCVELEFBJ-ZBLYBZFDSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012480098 553374259 /nfs/dbraw/zinc/37/42/59/553374259.db2.gz PWKQVYZFJLIUJF-HFZDXXHNSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012480104 553374245 /nfs/dbraw/zinc/37/42/45/553374245.db2.gz PWKQVYZFJLIUJF-LVXARBLLSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012480109 553374247 /nfs/dbraw/zinc/37/42/47/553374247.db2.gz PWKQVYZFJLIUJF-QFQXNSOFSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012480113 553374296 /nfs/dbraw/zinc/37/42/96/553374296.db2.gz PWKQVYZFJLIUJF-RLWLMLJZSA-N 0 0 519.627 3.567 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012480215 553374377 /nfs/dbraw/zinc/37/43/77/553374377.db2.gz VYXDVVHYPRUKBX-WXVAWEFUSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012480221 553374407 /nfs/dbraw/zinc/37/44/07/553374407.db2.gz VYXDVVHYPRUKBX-CUNXSJBXSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012480228 553374371 /nfs/dbraw/zinc/37/43/71/553374371.db2.gz VYXDVVHYPRUKBX-AJTFRIOCSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012480234 553374451 /nfs/dbraw/zinc/37/44/51/553374451.db2.gz VYXDVVHYPRUKBX-AMGIVPHBSA-N 0 0 501.562 3.949 40 0 KHABRN CC(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccn2C)cc1 ZINC000012480297 553374386 /nfs/dbraw/zinc/37/43/86/553374386.db2.gz YHSIKSXHLOBRKB-NEKDWFFYSA-N 0 0 514.630 3.963 40 0 KHABRN CC(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccn2C)cc1 ZINC000012480303 553374397 /nfs/dbraw/zinc/37/43/97/553374397.db2.gz YHSIKSXHLOBRKB-FIPFOOKPSA-N 0 0 514.630 3.963 40 0 KHABRN CC(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccn2C)cc1 ZINC000012480312 553374375 /nfs/dbraw/zinc/37/43/75/553374375.db2.gz YHSIKSXHLOBRKB-QDPGVEIFSA-N 0 0 514.630 3.963 40 0 KHABRN CC(C)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccn2C)cc1 ZINC000012480319 553374414 /nfs/dbraw/zinc/37/44/14/553374414.db2.gz YHSIKSXHLOBRKB-LXFBAYGMSA-N 0 0 514.630 3.963 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1sccc1C ZINC000012480462 553374626 /nfs/dbraw/zinc/37/46/26/553374626.db2.gz HOGHCCRHOJYQDL-UQBPGWFLSA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1sccc1C ZINC000012480472 553374660 /nfs/dbraw/zinc/37/46/60/553374660.db2.gz HOGHCCRHOJYQDL-DFBJGRDBSA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1sccc1C ZINC000012480479 553374641 /nfs/dbraw/zinc/37/46/41/553374641.db2.gz HOGHCCRHOJYQDL-KBMIEXCESA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1sccc1C ZINC000012480486 553374634 /nfs/dbraw/zinc/37/46/34/553374634.db2.gz HOGHCCRHOJYQDL-CLOONOSVSA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2sccc2C)cc1 ZINC000012480495 553374652 /nfs/dbraw/zinc/37/46/52/553374652.db2.gz BLZLBRSBLSDEEK-SQJMNOBHSA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2sccc2C)cc1 ZINC000012480504 553374605 /nfs/dbraw/zinc/37/46/05/553374605.db2.gz BLZLBRSBLSDEEK-OFVILXPXSA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2sccc2C)cc1 ZINC000012480513 553374607 /nfs/dbraw/zinc/37/46/07/553374607.db2.gz BLZLBRSBLSDEEK-PXDATVDWSA-N 0 0 519.627 3.880 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2sccc2C)cc1 ZINC000012480517 553374658 /nfs/dbraw/zinc/37/46/58/553374658.db2.gz BLZLBRSBLSDEEK-BWKNWUBXSA-N 0 0 519.627 3.880 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480589 553374602 /nfs/dbraw/zinc/37/46/02/553374602.db2.gz WRXCMLOEXMVTMG-SQJMNOBHSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccsc1[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480600 553374666 /nfs/dbraw/zinc/37/46/66/553374666.db2.gz WRXCMLOEXMVTMG-OFVILXPXSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480609 553374617 /nfs/dbraw/zinc/37/46/17/553374617.db2.gz WRXCMLOEXMVTMG-PXDATVDWSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccsc1[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480619 553374632 /nfs/dbraw/zinc/37/46/32/553374632.db2.gz WRXCMLOEXMVTMG-BWKNWUBXSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000012480662 553374614 /nfs/dbraw/zinc/37/46/14/553374614.db2.gz UFGRVLKBHIBHRD-FDDCHVKYSA-N 0 0 509.657 3.928 40 0 KHABRN Cc1ccsc1[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000012480672 553374653 /nfs/dbraw/zinc/37/46/53/553374653.db2.gz UFGRVLKBHIBHRD-MBSDFSHPSA-N 0 0 509.657 3.928 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000012480680 553374612 /nfs/dbraw/zinc/37/46/12/553374612.db2.gz UFGRVLKBHIBHRD-WZONZLPQSA-N 0 0 509.657 3.928 40 0 KHABRN Cc1ccsc1[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 ZINC000012480689 553374646 /nfs/dbraw/zinc/37/46/46/553374646.db2.gz UFGRVLKBHIBHRD-JPYJTQIMSA-N 0 0 509.657 3.928 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@@H]1CCCO1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480697 553374639 /nfs/dbraw/zinc/37/46/39/553374639.db2.gz VKJOGZRUGGKDBZ-BKMJKUGQSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccsc1[C@@H](C(=O)NC[C@@H]1CCCO1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480709 553374656 /nfs/dbraw/zinc/37/46/56/553374656.db2.gz VKJOGZRUGGKDBZ-NVQXNPDNSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@H]1CCCO1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480715 553374743 /nfs/dbraw/zinc/37/47/43/553374743.db2.gz VKJOGZRUGGKDBZ-ATIYNZHBSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccsc1[C@@H](C(=O)NC[C@H]1CCCO1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21 ZINC000012480729 553374795 /nfs/dbraw/zinc/37/47/95/553374795.db2.gz VKJOGZRUGGKDBZ-GJZUVCINSA-N 0 0 517.655 3.909 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc4ccccc43)n2)cc1OC ZINC000012480840 553374764 /nfs/dbraw/zinc/37/47/64/553374764.db2.gz JTZRDKQSCQETQU-UHFFFAOYSA-N 0 0 514.586 3.603 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 ZINC000012480919 553374811 /nfs/dbraw/zinc/37/48/11/553374811.db2.gz OZNLLFCEXGYXHK-RBISFHTESA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 ZINC000012480926 553374766 /nfs/dbraw/zinc/37/47/66/553374766.db2.gz OZNLLFCEXGYXHK-DWACAAAGSA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)cc1 ZINC000012480929 553374750 /nfs/dbraw/zinc/37/47/50/553374750.db2.gz OZNLLFCEXGYXHK-SKCUWOTOSA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)cc1 ZINC000012480937 553374740 /nfs/dbraw/zinc/37/47/40/553374740.db2.gz OZNLLFCEXGYXHK-DFHRPNOPSA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000012481014 553375043 /nfs/dbraw/zinc/37/50/43/553375043.db2.gz SILYZBCPJRMOHB-WNCULLNHSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000012481026 553375029 /nfs/dbraw/zinc/37/50/29/553375029.db2.gz SILYZBCPJRMOHB-HOFKKMOUSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000012481041 553375042 /nfs/dbraw/zinc/37/50/42/553375042.db2.gz SILYZBCPJRMOHB-YIXXDRMTSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000012481051 553374995 /nfs/dbraw/zinc/37/49/95/553374995.db2.gz SILYZBCPJRMOHB-KCWPFWIISA-N 0 0 501.562 3.949 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481060 553375039 /nfs/dbraw/zinc/37/50/39/553375039.db2.gz YTPHTQKRTQIFIU-KDYSTLNUSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481066 553375020 /nfs/dbraw/zinc/37/50/20/553375020.db2.gz YTPHTQKRTQIFIU-IDISGSTGSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481076 553375015 /nfs/dbraw/zinc/37/50/15/553375015.db2.gz YTPHTQKRTQIFIU-JIPXPUAJSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481083 553375005 /nfs/dbraw/zinc/37/50/05/553375005.db2.gz YTPHTQKRTQIFIU-ZBLYBZFDSA-N 0 0 517.561 3.649 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481118 553375011 /nfs/dbraw/zinc/37/50/11/553375011.db2.gz MBQDIQGUFUEHSS-RXFWQSSRSA-N 0 0 505.525 3.779 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481125 553375014 /nfs/dbraw/zinc/37/50/14/553375014.db2.gz MBQDIQGUFUEHSS-FNZWTVRRSA-N 0 0 505.525 3.779 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481135 553375003 /nfs/dbraw/zinc/37/50/03/553375003.db2.gz MBQDIQGUFUEHSS-FQRUVTKNSA-N 0 0 505.525 3.779 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccccc1F)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481141 553375035 /nfs/dbraw/zinc/37/50/35/553375035.db2.gz MBQDIQGUFUEHSS-IBVKSMDESA-N 0 0 505.525 3.779 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481145 553375001 /nfs/dbraw/zinc/37/50/01/553375001.db2.gz HGOOHPUTSQHNQT-WNCULLNHSA-N 0 0 519.552 3.775 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481157 553375022 /nfs/dbraw/zinc/37/50/22/553375022.db2.gz HGOOHPUTSQHNQT-HOFKKMOUSA-N 0 0 519.552 3.775 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481166 553375045 /nfs/dbraw/zinc/37/50/45/553375045.db2.gz HGOOHPUTSQHNQT-YIXXDRMTSA-N 0 0 519.552 3.775 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc(F)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481176 553375038 /nfs/dbraw/zinc/37/50/38/553375038.db2.gz HGOOHPUTSQHNQT-KCWPFWIISA-N 0 0 519.552 3.775 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481184 553375017 /nfs/dbraw/zinc/37/50/17/553375017.db2.gz ARFRKCQFPYVCEP-NBGIEHNGSA-N 0 0 507.591 3.697 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481194 553375033 /nfs/dbraw/zinc/37/50/33/553375033.db2.gz ARFRKCQFPYVCEP-CPJSRVTESA-N 0 0 507.591 3.697 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481201 553375040 /nfs/dbraw/zinc/37/50/40/553375040.db2.gz ARFRKCQFPYVCEP-CJFMBICVSA-N 0 0 507.591 3.697 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1cccs1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481211 553375031 /nfs/dbraw/zinc/37/50/31/553375031.db2.gz ARFRKCQFPYVCEP-NLFFAJNJSA-N 0 0 507.591 3.697 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481287 553375034 /nfs/dbraw/zinc/37/50/34/553375034.db2.gz XSQIBUWVSONJEM-RBJSKKJNSA-N 0 0 515.589 3.678 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481295 553374990 /nfs/dbraw/zinc/37/49/90/553374990.db2.gz XSQIBUWVSONJEM-CUBQBAPOSA-N 0 0 515.589 3.678 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481302 553375044 /nfs/dbraw/zinc/37/50/44/553375044.db2.gz XSQIBUWVSONJEM-UFHPHHKVSA-N 0 0 515.589 3.678 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481312 553375025 /nfs/dbraw/zinc/37/50/25/553375025.db2.gz XSQIBUWVSONJEM-YWEHKCAJSA-N 0 0 515.589 3.678 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481322 553375036 /nfs/dbraw/zinc/37/50/36/553375036.db2.gz BBHZFUJXVSXUEO-ABYGYWHVSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000012481330 553374998 /nfs/dbraw/zinc/37/49/98/553374998.db2.gz BBHZFUJXVSXUEO-SVEHJYQDSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481337 553375027 /nfs/dbraw/zinc/37/50/27/553375027.db2.gz BBHZFUJXVSXUEO-VAVYLYDRSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000012481341 553375037 /nfs/dbraw/zinc/37/50/37/553375037.db2.gz BBHZFUJXVSXUEO-IRPSRAIASA-N 0 0 529.616 3.987 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481349 553375008 /nfs/dbraw/zinc/37/50/08/553375008.db2.gz AJHVDXYJPKMDJW-RBJSKKJNSA-N 0 0 513.598 3.818 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481354 553375041 /nfs/dbraw/zinc/37/50/41/553375041.db2.gz AJHVDXYJPKMDJW-CUBQBAPOSA-N 0 0 513.598 3.818 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481362 553375126 /nfs/dbraw/zinc/37/51/26/553375126.db2.gz AJHVDXYJPKMDJW-UFHPHHKVSA-N 0 0 513.598 3.818 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481369 553375146 /nfs/dbraw/zinc/37/51/46/553375146.db2.gz AJHVDXYJPKMDJW-YWEHKCAJSA-N 0 0 513.598 3.818 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012481441 553375097 /nfs/dbraw/zinc/37/50/97/553375097.db2.gz UFNMMJZNCYDJCE-KDYSTLNUSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012481446 553375087 /nfs/dbraw/zinc/37/50/87/553375087.db2.gz UFNMMJZNCYDJCE-IDISGSTGSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012481454 553375186 /nfs/dbraw/zinc/37/51/86/553375186.db2.gz UFNMMJZNCYDJCE-JIPXPUAJSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)cc1 ZINC000012481462 553375164 /nfs/dbraw/zinc/37/51/64/553375164.db2.gz UFNMMJZNCYDJCE-ZBLYBZFDSA-N 0 0 501.562 3.949 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481466 553375178 /nfs/dbraw/zinc/37/51/78/553375178.db2.gz YWHGJFYJHZDQDV-ABYGYWHVSA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481477 553375118 /nfs/dbraw/zinc/37/51/18/553375118.db2.gz YWHGJFYJHZDQDV-SVEHJYQDSA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481483 553375157 /nfs/dbraw/zinc/37/51/57/553375157.db2.gz YWHGJFYJHZDQDV-VAVYLYDRSA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)cc2)cc1 ZINC000012481487 553375150 /nfs/dbraw/zinc/37/51/50/553375150.db2.gz YWHGJFYJHZDQDV-IRPSRAIASA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000012481494 553375160 /nfs/dbraw/zinc/37/51/60/553375160.db2.gz DHMNRUCIUADPTQ-PWUYWRBVSA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000012481504 553375081 /nfs/dbraw/zinc/37/50/81/553375081.db2.gz DHMNRUCIUADPTQ-OUTSHDOLSA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000012481512 553375181 /nfs/dbraw/zinc/37/51/81/553375181.db2.gz DHMNRUCIUADPTQ-FUFSCUOVSA-N 0 0 527.625 3.814 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000012481521 553375105 /nfs/dbraw/zinc/37/51/05/553375105.db2.gz DHMNRUCIUADPTQ-GIGWZHCTSA-N 0 0 527.625 3.814 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481563 553375182 /nfs/dbraw/zinc/37/51/82/553375182.db2.gz URIGAOALNOOUCT-HFZDXXHNSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481574 553375139 /nfs/dbraw/zinc/37/51/39/553375139.db2.gz URIGAOALNOOUCT-LVXARBLLSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481582 553375100 /nfs/dbraw/zinc/37/51/00/553375100.db2.gz URIGAOALNOOUCT-QFQXNSOFSA-N 0 0 503.628 3.867 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481590 553375153 /nfs/dbraw/zinc/37/51/53/553375153.db2.gz URIGAOALNOOUCT-RLWLMLJZSA-N 0 0 503.628 3.867 40 0 KHABRN CC(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481914 553375537 /nfs/dbraw/zinc/37/55/37/553375537.db2.gz CCAPCFJRWHXTAA-IBGGVINMSA-N 0 0 519.646 3.599 40 0 KHABRN CC(C)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481920 553375547 /nfs/dbraw/zinc/37/55/47/553375547.db2.gz CCAPCFJRWHXTAA-QONNDPFASA-N 0 0 519.646 3.599 40 0 KHABRN CC(C)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000012481928 553375527 /nfs/dbraw/zinc/37/55/27/553375527.db2.gz CCAPCFJRWHXTAA-VYKTZEHYSA-N 0 0 519.646 3.599 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1Cl)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000012482111 553375542 /nfs/dbraw/zinc/37/55/42/553375542.db2.gz LONNFORFPOPEAA-UQBPGWFLSA-N 0 0 507.978 3.743 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1Cl)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccco1 ZINC000012482119 553375514 /nfs/dbraw/zinc/37/55/14/553375514.db2.gz LONNFORFPOPEAA-DFBJGRDBSA-N 0 0 507.978 3.743 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1Cl)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000012482126 553375484 /nfs/dbraw/zinc/37/54/84/553375484.db2.gz LONNFORFPOPEAA-KBMIEXCESA-N 0 0 507.978 3.743 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccccc1Cl)[C@H](C(=O)NC[C@H]1CCCO1)c1ccco1 ZINC000012482136 553375530 /nfs/dbraw/zinc/37/55/30/553375530.db2.gz LONNFORFPOPEAA-CLOONOSVSA-N 0 0 507.978 3.743 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1 ZINC000012482174 553375733 /nfs/dbraw/zinc/37/57/33/553375733.db2.gz FBAOWKIZBMCVIU-CCLHPLFOSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(C)o1 ZINC000012482182 553375729 /nfs/dbraw/zinc/37/57/29/553375729.db2.gz FBAOWKIZBMCVIU-DCFHFQCYSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1 ZINC000012482191 553375736 /nfs/dbraw/zinc/37/57/36/553375736.db2.gz FBAOWKIZBMCVIU-NFQMXDRXSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1 ZINC000012482198 553375712 /nfs/dbraw/zinc/37/57/12/553375712.db2.gz FBAOWKIZBMCVIU-HRFSGMKKSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000012482204 553375709 /nfs/dbraw/zinc/37/57/09/553375709.db2.gz GZNPESYKCKZWIE-WXVAWEFUSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000012482213 553375716 /nfs/dbraw/zinc/37/57/16/553375716.db2.gz GZNPESYKCKZWIE-CUNXSJBXSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000012482221 553375721 /nfs/dbraw/zinc/37/57/21/553375721.db2.gz GZNPESYKCKZWIE-AJTFRIOCSA-N 0 0 517.586 3.801 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C)o2)cc1 ZINC000012482227 553375738 /nfs/dbraw/zinc/37/57/38/553375738.db2.gz GZNPESYKCKZWIE-AMGIVPHBSA-N 0 0 517.586 3.801 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482368 553375734 /nfs/dbraw/zinc/37/57/34/553375734.db2.gz RIDUNRUFGGXBDD-HFZDXXHNSA-N 0 0 505.550 3.537 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482378 553375715 /nfs/dbraw/zinc/37/57/15/553375715.db2.gz RIDUNRUFGGXBDD-LVXARBLLSA-N 0 0 505.550 3.537 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482386 553375735 /nfs/dbraw/zinc/37/57/35/553375735.db2.gz RIDUNRUFGGXBDD-QFQXNSOFSA-N 0 0 505.550 3.537 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482393 553375710 /nfs/dbraw/zinc/37/57/10/553375710.db2.gz RIDUNRUFGGXBDD-RLWLMLJZSA-N 0 0 505.550 3.537 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482401 553375724 /nfs/dbraw/zinc/37/57/24/553375724.db2.gz LRKMRVVEKMZXJZ-NEKDWFFYSA-N 0 0 515.614 3.749 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482413 553375927 /nfs/dbraw/zinc/37/59/27/553375927.db2.gz LRKMRVVEKMZXJZ-FIPFOOKPSA-N 0 0 515.614 3.749 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482423 553375904 /nfs/dbraw/zinc/37/59/04/553375904.db2.gz LRKMRVVEKMZXJZ-QDPGVEIFSA-N 0 0 515.614 3.749 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)o1 ZINC000012482435 553375875 /nfs/dbraw/zinc/37/58/75/553375875.db2.gz LRKMRVVEKMZXJZ-LXFBAYGMSA-N 0 0 515.614 3.749 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482606 553375939 /nfs/dbraw/zinc/37/59/39/553375939.db2.gz NCKJKQHQSLMHNI-AFMDSPMNSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482617 553375942 /nfs/dbraw/zinc/37/59/42/553375942.db2.gz NCKJKQHQSLMHNI-SIBVEZHUSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482628 553375936 /nfs/dbraw/zinc/37/59/36/553375936.db2.gz NCKJKQHQSLMHNI-NIYFSFCBSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482638 553375852 /nfs/dbraw/zinc/37/58/52/553375852.db2.gz NCKJKQHQSLMHNI-BCHFMIIMSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012482652 553375869 /nfs/dbraw/zinc/37/58/69/553375869.db2.gz ZLFCQHWBIATCNR-HFZDXXHNSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012482661 553375887 /nfs/dbraw/zinc/37/58/87/553375887.db2.gz ZLFCQHWBIATCNR-LVXARBLLSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000012482668 553375878 /nfs/dbraw/zinc/37/58/78/553375878.db2.gz ZLFCQHWBIATCNR-QFQXNSOFSA-N 0 0 519.627 3.961 40 0 KHABRN CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000012482680 553375890 /nfs/dbraw/zinc/37/58/90/553375890.db2.gz ZLFCQHWBIATCNR-RLWLMLJZSA-N 0 0 519.627 3.961 40 0 KHABRN O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 ZINC000012482698 553375907 /nfs/dbraw/zinc/37/59/07/553375907.db2.gz OVAWYBJTMQXGFQ-UHFFFAOYSA-N 0 0 504.305 3.893 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012482735 553375846 /nfs/dbraw/zinc/37/58/46/553375846.db2.gz YWYVOSJDERBJPH-HFZDXXHNSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1 ZINC000012482745 553376064 /nfs/dbraw/zinc/37/60/64/553376064.db2.gz YWYVOSJDERBJPH-LVXARBLLSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000012482754 553376085 /nfs/dbraw/zinc/37/60/85/553376085.db2.gz YWYVOSJDERBJPH-QFQXNSOFSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1 ZINC000012482762 553376090 /nfs/dbraw/zinc/37/60/90/553376090.db2.gz YWYVOSJDERBJPH-RLWLMLJZSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482773 553376094 /nfs/dbraw/zinc/37/60/94/553376094.db2.gz RKNXMZDKSMGTDE-RXFWQSSRSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482786 553376069 /nfs/dbraw/zinc/37/60/69/553376069.db2.gz RKNXMZDKSMGTDE-FNZWTVRRSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482800 553376084 /nfs/dbraw/zinc/37/60/84/553376084.db2.gz RKNXMZDKSMGTDE-FQRUVTKNSA-N 0 0 519.627 3.567 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482811 553376071 /nfs/dbraw/zinc/37/60/71/553376071.db2.gz RKNXMZDKSMGTDE-IBVKSMDESA-N 0 0 519.627 3.567 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482858 553376072 /nfs/dbraw/zinc/37/60/72/553376072.db2.gz GZRVYGQTNMZHCI-HFZDXXHNSA-N 0 0 503.628 3.601 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482868 553376073 /nfs/dbraw/zinc/37/60/73/553376073.db2.gz GZRVYGQTNMZHCI-LVXARBLLSA-N 0 0 503.628 3.601 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482879 553376089 /nfs/dbraw/zinc/37/60/89/553376089.db2.gz GZRVYGQTNMZHCI-QFQXNSOFSA-N 0 0 503.628 3.601 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(CCc1ccccc1)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482885 553376075 /nfs/dbraw/zinc/37/60/75/553376075.db2.gz GZRVYGQTNMZHCI-RLWLMLJZSA-N 0 0 503.628 3.601 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482891 553376079 /nfs/dbraw/zinc/37/60/79/553376079.db2.gz JDFLANJJPQUYGF-WXVAWEFUSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000012482900 553376081 /nfs/dbraw/zinc/37/60/81/553376081.db2.gz JDFLANJJPQUYGF-CUNXSJBXSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482913 553376067 /nfs/dbraw/zinc/37/60/67/553376067.db2.gz JDFLANJJPQUYGF-AJTFRIOCSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1cccs1 ZINC000012482922 553376082 /nfs/dbraw/zinc/37/60/82/553376082.db2.gz JDFLANJJPQUYGF-AMGIVPHBSA-N 0 0 517.655 3.909 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000012482931 553376083 /nfs/dbraw/zinc/37/60/83/553376083.db2.gz BPSBVZDIKLYQGR-CCLHPLFOSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000012482939 553376318 /nfs/dbraw/zinc/37/63/18/553376318.db2.gz BPSBVZDIKLYQGR-DCFHFQCYSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000012482947 553376294 /nfs/dbraw/zinc/37/62/94/553376294.db2.gz BPSBVZDIKLYQGR-NFQMXDRXSA-N 0 0 501.562 3.949 40 0 KHABRN Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000012482960 553376263 /nfs/dbraw/zinc/37/62/63/553376263.db2.gz BPSBVZDIKLYQGR-HRFSGMKKSA-N 0 0 501.562 3.949 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000012483043 553376285 /nfs/dbraw/zinc/37/62/85/553376285.db2.gz JBMDFQMPKCIZAV-UZTOHYMASA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000012483051 553376266 /nfs/dbraw/zinc/37/62/66/553376266.db2.gz JBMDFQMPKCIZAV-PPHZAIPVSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000012483063 553376331 /nfs/dbraw/zinc/37/63/31/553376331.db2.gz JBMDFQMPKCIZAV-XHCCPWGMSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000012483073 553376257 /nfs/dbraw/zinc/37/62/57/553376257.db2.gz JBMDFQMPKCIZAV-WINIVTDRSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 ZINC000012483086 553376329 /nfs/dbraw/zinc/37/63/29/553376329.db2.gz KPBPAIUDBLUTHE-KDYSTLNUSA-N 0 0 517.561 3.649 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 ZINC000012483095 553376311 /nfs/dbraw/zinc/37/63/11/553376311.db2.gz KPBPAIUDBLUTHE-IDISGSTGSA-N 0 0 517.561 3.649 40 0 KHABRN 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Cc1ccccc1CCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000012483358 553376480 /nfs/dbraw/zinc/37/64/80/553376480.db2.gz ZXYKQQBMOPWNMX-BTYSJIOQSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)c1 ZINC000012483365 553376477 /nfs/dbraw/zinc/37/64/77/553376477.db2.gz XBRJUQHEEGCSAF-MUAVYFROSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)c1 ZINC000012483374 553376468 /nfs/dbraw/zinc/37/64/68/553376468.db2.gz XBRJUQHEEGCSAF-IADCTJSHSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)c1 ZINC000012483386 553376638 /nfs/dbraw/zinc/37/66/38/553376638.db2.gz XBRJUQHEEGCSAF-RNWIMVQKSA-N 0 0 529.616 3.987 40 0 KHABRN Cc1cccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)c1 ZINC000012483393 553376683 /nfs/dbraw/zinc/37/66/83/553376683.db2.gz XBRJUQHEEGCSAF-BTYSJIOQSA-N 0 0 529.616 3.987 40 0 KHABRN 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COc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000012490043 553380338 /nfs/dbraw/zinc/38/03/38/553380338.db2.gz PACRFXRIAKRPLE-NLFFAJNJSA-N 0 0 507.612 3.556 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000012490049 553380321 /nfs/dbraw/zinc/38/03/21/553380321.db2.gz KZECMKORJINHGG-WIOPSUGQSA-N 0 0 507.612 3.556 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000012490055 553380324 /nfs/dbraw/zinc/38/03/24/553380324.db2.gz KZECMKORJINHGG-DHLKQENFSA-N 0 0 507.612 3.556 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000012490063 553380293 /nfs/dbraw/zinc/38/02/93/553380293.db2.gz KZECMKORJINHGG-RCZVLFRGSA-N 0 0 507.612 3.556 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000012490070 553380291 /nfs/dbraw/zinc/38/02/91/553380291.db2.gz KZECMKORJINHGG-RDGATRHJSA-N 0 0 507.612 3.556 40 0 KHABRN CC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1cccs1 ZINC000012490412 553380283 /nfs/dbraw/zinc/38/02/83/553380283.db2.gz FMCBVXQFKRKYCD-DEOSSOPVSA-N 0 0 507.612 3.891 40 0 KHABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1cccs1 ZINC000012490419 553380271 /nfs/dbraw/zinc/38/02/71/553380271.db2.gz FMCBVXQFKRKYCD-XMMPIXPASA-N 0 0 507.612 3.891 40 0 KHABRN COc1ccccc1N1CCN(C(=O)CC[C@]23CC[C@](C)(O)C[C@H]2C(C)(C)C[C@@H]3NC(=O)C2CC2)CC1 ZINC000012490886 291818044 /nfs/dbraw/zinc/81/80/44/291818044.db2.gz MQLSZCRNXIUXRL-RCYOKLDESA-N 0 0 511.707 3.986 40 0 biogenic,in-vitro KHABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)C1CC1 ZINC000012491341 553380623 /nfs/dbraw/zinc/38/06/23/553380623.db2.gz VMCSCZRKBXLFCV-QHCPKHFHSA-N 0 0 500.596 3.756 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C(=O)CCC(=O)Nc1cc(C)on1)C1CC1 ZINC000012491345 553380831 /nfs/dbraw/zinc/38/08/31/553380831.db2.gz VMCSCZRKBXLFCV-HSZRJFAPSA-N 0 0 500.596 3.756 40 0 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COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012643542 553408572 /nfs/dbraw/zinc/40/85/72/553408572.db2.gz WEXUYLAVZMJNTA-JIYUWXFHSA-N 0 0 516.642 3.991 40 0 KHABRN COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000012643549 553408616 /nfs/dbraw/zinc/40/86/16/553408616.db2.gz WEXUYLAVZMJNTA-UEPZHEIPSA-N 0 0 516.642 3.991 40 0 KHABRN COc1cc(C(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc(OC)c1OC ZINC000012645495 553408980 /nfs/dbraw/zinc/40/89/80/553408980.db2.gz NXDVEPCQPIUORH-UHFFFAOYSA-N 0 0 503.511 3.520 40 0 KHABRN COc1cc(C(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc(OC)c1OC ZINC000012645751 553409110 /nfs/dbraw/zinc/40/91/10/553409110.db2.gz KXWJLIDQNDPDDL-UHFFFAOYSA-N 0 0 517.538 3.563 40 0 KHABRN CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000012645825 553409049 /nfs/dbraw/zinc/40/90/49/553409049.db2.gz HTKCQMPGRSYUQF-UHFFFAOYSA-N 0 0 522.621 3.741 40 0 KHABRN COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1 ZINC000012645848 553409125 /nfs/dbraw/zinc/40/91/25/553409125.db2.gz LVCSRQTUULWABV-UHFFFAOYSA-N 0 0 500.507 3.879 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1C(F)(F)F ZINC000012701383 553413532 /nfs/dbraw/zinc/41/35/32/553413532.db2.gz MNWBAYXEQCJFAH-OAHLLOKOSA-N 0 0 504.488 3.979 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1C(F)(F)F ZINC000012701389 553413586 /nfs/dbraw/zinc/41/35/86/553413586.db2.gz MNWBAYXEQCJFAH-HNNXBMFYSA-N 0 0 504.488 3.979 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000012701395 553413607 /nfs/dbraw/zinc/41/36/07/553413607.db2.gz XQTLCPNWNZXOOY-OAHLLOKOSA-N 0 0 504.488 3.979 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000012701402 553413550 /nfs/dbraw/zinc/41/35/50/553413550.db2.gz XQTLCPNWNZXOOY-HNNXBMFYSA-N 0 0 504.488 3.979 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012701954 553413723 /nfs/dbraw/zinc/41/37/23/553413723.db2.gz URGVFQKCGUUELR-AZGAKELHSA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012701961 553413677 /nfs/dbraw/zinc/41/36/77/553413677.db2.gz URGVFQKCGUUELR-AHWVRZQESA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012701968 553413661 /nfs/dbraw/zinc/41/36/61/553413661.db2.gz URGVFQKCGUUELR-AOYPEHQESA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 ZINC000012701975 553413688 /nfs/dbraw/zinc/41/36/88/553413688.db2.gz URGVFQKCGUUELR-RSXGOPAZSA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012702027 553413694 /nfs/dbraw/zinc/41/36/94/553413694.db2.gz VBVPDYRRCARSBP-JOCHJYFZSA-N 0 0 509.607 3.714 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012702033 553413710 /nfs/dbraw/zinc/41/37/10/553413710.db2.gz VBVPDYRRCARSBP-QFIPXVFZSA-N 0 0 509.607 3.714 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012702071 553413670 /nfs/dbraw/zinc/41/36/70/553413670.db2.gz PLMPSFSKQMUKCF-RUZDIDTESA-N 0 0 502.575 3.972 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccc(C)cc3)n2)o1 ZINC000012702077 553413713 /nfs/dbraw/zinc/41/37/13/553413713.db2.gz PLMPSFSKQMUKCF-VWLOTQADSA-N 0 0 502.575 3.972 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000012702206 553413904 /nfs/dbraw/zinc/41/39/04/553413904.db2.gz WMCJJUVHNDYQCM-JOCHJYFZSA-N 0 0 507.616 3.588 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000012702210 553413946 /nfs/dbraw/zinc/41/39/46/553413946.db2.gz WMCJJUVHNDYQCM-QFIPXVFZSA-N 0 0 507.616 3.588 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000012702225 553413899 /nfs/dbraw/zinc/41/38/99/553413899.db2.gz AYAHKVONQOSTMS-JOCHJYFZSA-N 0 0 507.616 3.588 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 ZINC000012702231 553413922 /nfs/dbraw/zinc/41/39/22/553413922.db2.gz AYAHKVONQOSTMS-QFIPXVFZSA-N 0 0 507.616 3.588 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000012702237 553413901 /nfs/dbraw/zinc/41/39/01/553413901.db2.gz FNDMZLNTSUKGLA-HSZRJFAPSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000012702244 553413934 /nfs/dbraw/zinc/41/39/34/553413934.db2.gz FNDMZLNTSUKGLA-QHCPKHFHSA-N 0 0 521.643 3.897 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702315 553413926 /nfs/dbraw/zinc/41/39/26/553413926.db2.gz MWHPEPGGYJZDGY-XUZZJYLKSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702320 553413909 /nfs/dbraw/zinc/41/39/09/553413909.db2.gz MWHPEPGGYJZDGY-ZJSXRUAMSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702326 553413938 /nfs/dbraw/zinc/41/39/38/553413938.db2.gz MWHPEPGGYJZDGY-URXFXBBRSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1 ZINC000012702333 553413916 /nfs/dbraw/zinc/41/39/16/553413916.db2.gz MWHPEPGGYJZDGY-QPPBQGQZSA-N 0 0 527.025 3.703 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702339 553413942 /nfs/dbraw/zinc/41/39/42/553413942.db2.gz WHHROVLMDCLORR-OAQYLSRUSA-N 0 0 512.035 3.920 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702345 553413932 /nfs/dbraw/zinc/41/39/32/553413932.db2.gz WHHROVLMDCLORR-NRFANRHFSA-N 0 0 512.035 3.920 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702359 553413890 /nfs/dbraw/zinc/41/38/90/553413890.db2.gz IQPROFNXTKOVBN-LJQANCHMSA-N 0 0 518.064 3.982 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702366 553413907 /nfs/dbraw/zinc/41/39/07/553413907.db2.gz IQPROFNXTKOVBN-IBGZPJMESA-N 0 0 518.064 3.982 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702384 553413943 /nfs/dbraw/zinc/41/39/43/553413943.db2.gz FUOHLMKWKTVTLZ-LJQANCHMSA-N 0 0 501.996 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702389 553413914 /nfs/dbraw/zinc/41/39/14/553413914.db2.gz FUOHLMKWKTVTLZ-IBGZPJMESA-N 0 0 501.996 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(O)c2)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702485 553413988 /nfs/dbraw/zinc/41/39/88/553413988.db2.gz MUZZEDQSYACPNO-HXUWFJFHSA-N 0 0 514.007 3.630 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(O)c2)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1N ZINC000012702489 553414018 /nfs/dbraw/zinc/41/40/18/553414018.db2.gz MUZZEDQSYACPNO-FQEVSTJZSA-N 0 0 514.007 3.630 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000012702541 553414037 /nfs/dbraw/zinc/41/40/37/553414037.db2.gz PYHLNQDHNRJMIT-AZGAKELHSA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000012702547 553414023 /nfs/dbraw/zinc/41/40/23/553414023.db2.gz PYHLNQDHNRJMIT-AOYPEHQESA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000012702552 553414043 /nfs/dbraw/zinc/41/40/43/553414043.db2.gz PYHLNQDHNRJMIT-AHWVRZQESA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1 ZINC000012702560 553414057 /nfs/dbraw/zinc/41/40/57/553414057.db2.gz PYHLNQDHNRJMIT-RSXGOPAZSA-N 0 0 520.609 3.595 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000012702646 553414271 /nfs/dbraw/zinc/41/42/71/553414271.db2.gz IVPHBXYAMLGHCE-RUZDIDTESA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1 ZINC000012702655 553414251 /nfs/dbraw/zinc/41/42/51/553414251.db2.gz IVPHBXYAMLGHCE-VWLOTQADSA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)C3CCCC3)n2)cc1 ZINC000012702661 553414260 /nfs/dbraw/zinc/41/42/60/553414260.db2.gz VZVYDDSIVBFFQA-AREMUKBSSA-N 0 0 502.619 3.925 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)C3CCCC3)n2)cc1 ZINC000012702665 553414239 /nfs/dbraw/zinc/41/42/39/553414239.db2.gz VZVYDDSIVBFFQA-SANMLTNESA-N 0 0 502.619 3.925 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702773 553414273 /nfs/dbraw/zinc/41/42/73/553414273.db2.gz LFELIRFXYUWIJX-AREMUKBSSA-N 0 0 514.586 3.776 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702777 553414231 /nfs/dbraw/zinc/41/42/31/553414231.db2.gz LFELIRFXYUWIJX-SANMLTNESA-N 0 0 514.586 3.776 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1 ZINC000012702794 553414261 /nfs/dbraw/zinc/41/42/61/553414261.db2.gz XHULXWSTLASUSS-AREMUKBSSA-N 0 0 514.586 3.776 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1 ZINC000012702802 553414270 /nfs/dbraw/zinc/41/42/70/553414270.db2.gz XHULXWSTLASUSS-SANMLTNESA-N 0 0 514.586 3.776 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702835 553414263 /nfs/dbraw/zinc/41/42/63/553414263.db2.gz XYNWLDPOOZKOGI-RUZDIDTESA-N 0 0 500.559 3.780 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702841 553414268 /nfs/dbraw/zinc/41/42/68/553414268.db2.gz XYNWLDPOOZKOGI-VWLOTQADSA-N 0 0 500.559 3.780 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012702995 553414438 /nfs/dbraw/zinc/41/44/38/553414438.db2.gz XPYGBONELZPYEK-RUZDIDTESA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703003 553414445 /nfs/dbraw/zinc/41/44/45/553414445.db2.gz XPYGBONELZPYEK-VWLOTQADSA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703011 553414365 /nfs/dbraw/zinc/41/43/65/553414365.db2.gz VHTIOEIZLFWZOE-RUZDIDTESA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703017 553414426 /nfs/dbraw/zinc/41/44/26/553414426.db2.gz VHTIOEIZLFWZOE-VWLOTQADSA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703022 553414442 /nfs/dbraw/zinc/41/44/42/553414442.db2.gz QMYQUFHLAQMSDB-RUZDIDTESA-N 0 0 518.549 3.920 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(F)cc3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000012703028 553414432 /nfs/dbraw/zinc/41/44/32/553414432.db2.gz QMYQUFHLAQMSDB-VWLOTQADSA-N 0 0 518.549 3.920 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000012703034 553414393 /nfs/dbraw/zinc/41/43/93/553414393.db2.gz PNLUXQFMUUHGPS-HXUWFJFHSA-N 0 0 514.007 3.630 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000012703041 553414399 /nfs/dbraw/zinc/41/43/99/553414399.db2.gz PNLUXQFMUUHGPS-FQEVSTJZSA-N 0 0 514.007 3.630 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1 ZINC000012703046 553414412 /nfs/dbraw/zinc/41/44/12/553414412.db2.gz RSHNRIYZLVFTTN-HHHXNRCGSA-N 0 0 526.597 3.893 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)cc1 ZINC000012703052 553414382 /nfs/dbraw/zinc/41/43/82/553414382.db2.gz RSHNRIYZLVFTTN-MHZLTWQESA-N 0 0 526.597 3.893 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C2CCCC2)cc1 ZINC000012703072 553414390 /nfs/dbraw/zinc/41/43/90/553414390.db2.gz AEFSVAYJZGFANV-RUZDIDTESA-N 0 0 506.607 3.821 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C2CCCC2)cc1 ZINC000012703077 553414406 /nfs/dbraw/zinc/41/44/06/553414406.db2.gz AEFSVAYJZGFANV-VWLOTQADSA-N 0 0 506.607 3.821 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012703134 553414544 /nfs/dbraw/zinc/41/45/44/553414544.db2.gz BJWZPJWBRXDSKA-RUZDIDTESA-N 0 0 518.574 3.672 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 ZINC000012703140 553414537 /nfs/dbraw/zinc/41/45/37/553414537.db2.gz BJWZPJWBRXDSKA-VWLOTQADSA-N 0 0 518.574 3.672 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000012703344 553414578 /nfs/dbraw/zinc/41/45/78/553414578.db2.gz CNJYYHRKVREPPE-XMMPIXPASA-N 0 0 506.538 3.803 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000012703350 553414560 /nfs/dbraw/zinc/41/45/60/553414560.db2.gz CNJYYHRKVREPPE-DEOSSOPVSA-N 0 0 506.538 3.803 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000012703366 553414596 /nfs/dbraw/zinc/41/45/96/553414596.db2.gz SZSSYZYEICXTEH-XMMPIXPASA-N 0 0 506.538 3.803 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)o1 ZINC000012703371 553414587 /nfs/dbraw/zinc/41/45/87/553414587.db2.gz SZSSYZYEICXTEH-DEOSSOPVSA-N 0 0 506.538 3.803 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703374 553414565 /nfs/dbraw/zinc/41/45/65/553414565.db2.gz QASSJERVWSNLSQ-LJQANCHMSA-N 0 0 501.996 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703379 553414574 /nfs/dbraw/zinc/41/45/74/553414574.db2.gz QASSJERVWSNLSQ-IBGZPJMESA-N 0 0 501.996 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703606 553414741 /nfs/dbraw/zinc/41/47/41/553414741.db2.gz PJVOBYBMFJIWLO-GOSISDBHSA-N 0 0 521.521 3.883 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703612 553414737 /nfs/dbraw/zinc/41/47/37/553414737.db2.gz PJVOBYBMFJIWLO-SFHVURJKSA-N 0 0 521.521 3.883 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)c(Cl)c2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703692 553414699 /nfs/dbraw/zinc/41/46/99/553414699.db2.gz CYKROQAFADEGGK-GOSISDBHSA-N 0 0 505.959 3.657 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)c(Cl)c2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1N ZINC000012703698 553414709 /nfs/dbraw/zinc/41/47/09/553414709.db2.gz CYKROQAFADEGGK-SFHVURJKSA-N 0 0 505.959 3.657 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000012703723 553414744 /nfs/dbraw/zinc/41/47/44/553414744.db2.gz HOWOTGJQHIXOSO-XMMPIXPASA-N 0 0 504.547 3.676 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC1CCCC1)c1ccco1 ZINC000012703728 553414717 /nfs/dbraw/zinc/41/47/17/553414717.db2.gz HOWOTGJQHIXOSO-DEOSSOPVSA-N 0 0 504.547 3.676 40 0 KHABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000012703732 553414727 /nfs/dbraw/zinc/41/47/27/553414727.db2.gz XLESCXUSGBMOFB-XMMPIXPASA-N 0 0 504.547 3.676 40 0 KHABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000012703736 553414739 /nfs/dbraw/zinc/41/47/39/553414739.db2.gz XLESCXUSGBMOFB-DEOSSOPVSA-N 0 0 504.547 3.676 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000012703753 553414703 /nfs/dbraw/zinc/41/47/03/553414703.db2.gz BJSRINRUMPXUKW-XMMPIXPASA-N 0 0 504.547 3.676 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000012703760 553414735 /nfs/dbraw/zinc/41/47/35/553414735.db2.gz BJSRINRUMPXUKW-DEOSSOPVSA-N 0 0 504.547 3.676 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1 ZINC000012703803 553414924 /nfs/dbraw/zinc/41/49/24/553414924.db2.gz YZYURWLEXNBFJG-XUZZJYLKSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1 ZINC000012703808 553414932 /nfs/dbraw/zinc/41/49/32/553414932.db2.gz YZYURWLEXNBFJG-URXFXBBRSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1 ZINC000012703812 553414976 /nfs/dbraw/zinc/41/49/76/553414976.db2.gz YZYURWLEXNBFJG-ZJSXRUAMSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)o1 ZINC000012703815 553414926 /nfs/dbraw/zinc/41/49/26/553414926.db2.gz YZYURWLEXNBFJG-QPPBQGQZSA-N 0 0 527.025 3.703 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000012703820 553414940 /nfs/dbraw/zinc/41/49/40/553414940.db2.gz HOPGUJUMACLWMU-RUZDIDTESA-N 0 0 502.575 3.972 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000012703825 553414930 /nfs/dbraw/zinc/41/49/30/553414930.db2.gz HOPGUJUMACLWMU-VWLOTQADSA-N 0 0 502.575 3.972 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012703839 553414955 /nfs/dbraw/zinc/41/49/55/553414955.db2.gz VYEKRIRIFFJDLW-HXUWFJFHSA-N 0 0 516.023 3.822 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2Cl)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012703844 553414948 /nfs/dbraw/zinc/41/49/48/553414948.db2.gz VYEKRIRIFFJDLW-FQEVSTJZSA-N 0 0 516.023 3.822 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 ZINC000012703870 553414928 /nfs/dbraw/zinc/41/49/28/553414928.db2.gz BCZRKYBJKABVHI-RUZDIDTESA-N 0 0 502.575 3.972 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)o1 ZINC000012703877 553414978 /nfs/dbraw/zinc/41/49/78/553414978.db2.gz BCZRKYBJKABVHI-VWLOTQADSA-N 0 0 502.575 3.972 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(Cl)cc2)o1 ZINC000012704034 553415103 /nfs/dbraw/zinc/41/51/03/553415103.db2.gz RIXGTANRFMSJNO-LJQANCHMSA-N 0 0 501.996 3.826 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(Cl)cc2)o1 ZINC000012704038 553415133 /nfs/dbraw/zinc/41/51/33/553415133.db2.gz RIXGTANRFMSJNO-IBGZPJMESA-N 0 0 501.996 3.826 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000012704052 553415130 /nfs/dbraw/zinc/41/51/30/553415130.db2.gz ICMINXLDBQKKOC-XMMPIXPASA-N 0 0 504.547 3.682 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)o1 ZINC000012704057 553415139 /nfs/dbraw/zinc/41/51/39/553415139.db2.gz ICMINXLDBQKKOC-DEOSSOPVSA-N 0 0 504.547 3.682 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000012704071 553415125 /nfs/dbraw/zinc/41/51/25/553415125.db2.gz PYTCOUAILQHKBR-RUZDIDTESA-N 0 0 518.574 3.985 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC1CCCC1)c1ccc(C)o1 ZINC000012704074 553415150 /nfs/dbraw/zinc/41/51/50/553415150.db2.gz PYTCOUAILQHKBR-VWLOTQADSA-N 0 0 518.574 3.985 40 0 KHABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000012704078 553415153 /nfs/dbraw/zinc/41/51/53/553415153.db2.gz NACFWDKYIVCENE-RUZDIDTESA-N 0 0 518.574 3.985 40 0 KHABRN COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 ZINC000012704084 553415136 /nfs/dbraw/zinc/41/51/36/553415136.db2.gz NACFWDKYIVCENE-VWLOTQADSA-N 0 0 518.574 3.985 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000012704086 553415068 /nfs/dbraw/zinc/41/50/68/553415068.db2.gz ZRXMHAKFJQRIAJ-RUZDIDTESA-N 0 0 518.574 3.985 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 ZINC000012704091 553415084 /nfs/dbraw/zinc/41/50/84/553415084.db2.gz ZRXMHAKFJQRIAJ-VWLOTQADSA-N 0 0 518.574 3.985 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 ZINC000012704148 553415079 /nfs/dbraw/zinc/41/50/79/553415079.db2.gz BKWUJEGBSYWXPB-XUZZJYLKSA-N 0 0 508.648 3.518 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 ZINC000012704156 553415093 /nfs/dbraw/zinc/41/50/93/553415093.db2.gz BKWUJEGBSYWXPB-ZJSXRUAMSA-N 0 0 508.648 3.518 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 ZINC000012704163 553415091 /nfs/dbraw/zinc/41/50/91/553415091.db2.gz BKWUJEGBSYWXPB-URXFXBBRSA-N 0 0 508.648 3.518 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 ZINC000012704169 553415082 /nfs/dbraw/zinc/41/50/82/553415082.db2.gz BKWUJEGBSYWXPB-QPPBQGQZSA-N 0 0 508.648 3.518 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000012704175 553415294 /nfs/dbraw/zinc/41/52/94/553415294.db2.gz VMDJZNVNDYWLEH-NZQKXSOJSA-N 0 0 529.066 3.863 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000012704181 553415308 /nfs/dbraw/zinc/41/53/08/553415308.db2.gz VMDJZNVNDYWLEH-NFBKMPQASA-N 0 0 529.066 3.863 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000012704185 553415288 /nfs/dbraw/zinc/41/52/88/553415288.db2.gz VMDJZNVNDYWLEH-REWPJTCUSA-N 0 0 529.066 3.863 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000012704191 553415341 /nfs/dbraw/zinc/41/53/41/553415341.db2.gz VMDJZNVNDYWLEH-OFNKIYASSA-N 0 0 529.066 3.863 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1N ZINC000012704295 553415328 /nfs/dbraw/zinc/41/53/28/553415328.db2.gz GJQVGWQXYCUCQH-LJQANCHMSA-N 0 0 518.064 3.982 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NC2CCCC2)c2cccs2)c1N ZINC000012704301 553415285 /nfs/dbraw/zinc/41/52/85/553415285.db2.gz GJQVGWQXYCUCQH-IBGZPJMESA-N 0 0 518.064 3.982 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1N ZINC000012704504 553415473 /nfs/dbraw/zinc/41/54/73/553415473.db2.gz YSWJUTILXADVRV-GOSISDBHSA-N 0 0 504.037 3.986 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1N ZINC000012704509 553415457 /nfs/dbraw/zinc/41/54/57/553415457.db2.gz YSWJUTILXADVRV-SFHVURJKSA-N 0 0 504.037 3.986 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000012704537 553415443 /nfs/dbraw/zinc/41/54/43/553415443.db2.gz UZHABHLCFONJEJ-HSZRJFAPSA-N 0 0 506.588 3.842 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000012704544 553415500 /nfs/dbraw/zinc/41/55/00/553415500.db2.gz UZHABHLCFONJEJ-QHCPKHFHSA-N 0 0 506.588 3.842 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cccc4ccccc43)n2)cc1OC ZINC000012705140 553415467 /nfs/dbraw/zinc/41/54/67/553415467.db2.gz RHVBZKSDVDAMBW-UHFFFAOYSA-N 0 0 528.613 3.993 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012705233 553415477 /nfs/dbraw/zinc/41/54/77/553415477.db2.gz KAWQTBZGICHPJT-HSZRJFAPSA-N 0 0 505.644 3.965 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000012705239 553415641 /nfs/dbraw/zinc/41/56/41/553415641.db2.gz KAWQTBZGICHPJT-QHCPKHFHSA-N 0 0 505.644 3.965 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000012705276 553415638 /nfs/dbraw/zinc/41/56/38/553415638.db2.gz ABTKXJJBUYMIOU-HSZRJFAPSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 ZINC000012705282 553415700 /nfs/dbraw/zinc/41/57/00/553415700.db2.gz ABTKXJJBUYMIOU-QHCPKHFHSA-N 0 0 521.643 3.978 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCCC3)c3ccc(O)cc3)n2)o1 ZINC000012705525 553415879 /nfs/dbraw/zinc/41/58/79/553415879.db2.gz DXTPKYKXUPLVBT-RUZDIDTESA-N 0 0 518.574 3.759 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCCC3)c3ccc(O)cc3)n2)o1 ZINC000012705533 553415817 /nfs/dbraw/zinc/41/58/17/553415817.db2.gz DXTPKYKXUPLVBT-VWLOTQADSA-N 0 0 518.574 3.759 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1N ZINC000012705609 553415836 /nfs/dbraw/zinc/41/58/36/553415836.db2.gz WWEPWBVJPVLITQ-LJQANCHMSA-N 0 0 501.609 3.862 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1N ZINC000012705616 553415787 /nfs/dbraw/zinc/41/57/87/553415787.db2.gz WWEPWBVJPVLITQ-IBGZPJMESA-N 0 0 501.609 3.862 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccco2)c(C)c1 ZINC000012705816 553415876 /nfs/dbraw/zinc/41/58/76/553415876.db2.gz OSHFIHHJVYOCFY-JOCHJYFZSA-N 0 0 503.584 3.739 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccco2)c(C)c1 ZINC000012705822 553415794 /nfs/dbraw/zinc/41/57/94/553415794.db2.gz OSHFIHHJVYOCFY-QFIPXVFZSA-N 0 0 503.584 3.739 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NCc2ccccc2)c2cccs2)c1N ZINC000012705894 553416040 /nfs/dbraw/zinc/41/60/40/553416040.db2.gz SDXJMKDBKHEBKP-HXUWFJFHSA-N 0 0 509.588 3.729 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NCc2ccccc2)c2cccs2)c1N ZINC000012705901 553416024 /nfs/dbraw/zinc/41/60/24/553416024.db2.gz SDXJMKDBKHEBKP-FQEVSTJZSA-N 0 0 509.588 3.729 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000012705909 553416017 /nfs/dbraw/zinc/41/60/17/553416017.db2.gz YQSHJRNJJPXCFB-OAQYLSRUSA-N 0 0 521.624 3.599 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000012705918 553416049 /nfs/dbraw/zinc/41/60/49/553416049.db2.gz YQSHJRNJJPXCFB-NRFANRHFSA-N 0 0 521.624 3.599 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)[C@H](CC(C)C)C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000012706106 553416044 /nfs/dbraw/zinc/41/60/44/553416044.db2.gz UIXLEBSSULPPAF-ZJSXRUAMSA-N 0 0 508.598 3.531 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c2cccc(C)c2)o1 ZINC000012706308 553416263 /nfs/dbraw/zinc/41/62/63/553416263.db2.gz UKOYVQSNFPVODM-RPLLCQBOSA-N 0 0 528.613 3.928 40 0 KHABRN COCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012706647 553416249 /nfs/dbraw/zinc/41/62/49/553416249.db2.gz AWCAHQMJCDUBRC-PMACEKPBSA-N 0 0 535.736 3.648 40 0 KHABRN COCCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012706658 553416237 /nfs/dbraw/zinc/41/62/37/553416237.db2.gz AWCAHQMJCDUBRC-BGYRXZFFSA-N 0 0 535.736 3.648 40 0 KHABRN COCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012706666 553416281 /nfs/dbraw/zinc/41/62/81/553416281.db2.gz AWCAHQMJCDUBRC-WOJBJXKFSA-N 0 0 535.736 3.648 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012707993 553416287 /nfs/dbraw/zinc/41/62/87/553416287.db2.gz DVVRWXCVDUMGPJ-HHHXNRCGSA-N 0 0 515.570 3.972 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(Cc1ccc2c(c1)OCO2)[C@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000012707997 553416293 /nfs/dbraw/zinc/41/62/93/553416293.db2.gz DVVRWXCVDUMGPJ-MHZLTWQESA-N 0 0 515.570 3.972 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000012709038 553416559 /nfs/dbraw/zinc/41/65/59/553416559.db2.gz XACCVNWCEGDFLY-OFBQKKGOSA-N 0 0 513.994 3.642 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000012709046 553416446 /nfs/dbraw/zinc/41/64/46/553416446.db2.gz XACCVNWCEGDFLY-JDPOQZCSSA-N 0 0 513.994 3.642 40 0 KHABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000012709683 553416750 /nfs/dbraw/zinc/41/67/50/553416750.db2.gz KCUOAKFXYWRGSY-WHGDAVGDSA-N 0 0 501.624 3.610 40 0 KHABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1C ZINC000012709688 553416765 /nfs/dbraw/zinc/41/67/65/553416765.db2.gz KCUOAKFXYWRGSY-KSLSGZMSSA-N 0 0 501.624 3.610 40 0 KHABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000012709724 553416763 /nfs/dbraw/zinc/41/67/63/553416763.db2.gz JYSDLPOYPFWLPB-WHGDAVGDSA-N 0 0 501.624 3.610 40 0 KHABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000012709732 553416748 /nfs/dbraw/zinc/41/67/48/553416748.db2.gz JYSDLPOYPFWLPB-KSLSGZMSSA-N 0 0 501.624 3.610 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012709916 553416767 /nfs/dbraw/zinc/41/67/67/553416767.db2.gz UHXVEMSRZRRKND-RZCFMFBHSA-N 0 0 508.015 3.647 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000012709924 553416770 /nfs/dbraw/zinc/41/67/70/553416770.db2.gz UHXVEMSRZRRKND-RUQXJDCSSA-N 0 0 508.015 3.647 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000012710155 553416956 /nfs/dbraw/zinc/41/69/56/553416956.db2.gz KMWFFXHKWOYEON-DHUJRADRSA-N 0 0 501.624 3.612 40 0 KHABRN Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)c1C ZINC000012710175 553416959 /nfs/dbraw/zinc/41/69/59/553416959.db2.gz HCWXDPCOEMMVCG-DHUJRADRSA-N 0 0 501.624 3.612 40 0 KHABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000012710206 553416890 /nfs/dbraw/zinc/41/68/90/553416890.db2.gz AONPJUOFJXURRI-DHUJRADRSA-N 0 0 501.624 3.612 40 0 KHABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000012710269 553416934 /nfs/dbraw/zinc/41/69/34/553416934.db2.gz QHALFXPGTDHDDA-UUWRZZSWSA-N 0 0 508.015 3.648 40 0 KHABRN O=C(C[S@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(Cl)c1)Nc1ccc(F)cc1 ZINC000012710279 553416870 /nfs/dbraw/zinc/41/68/70/553416870.db2.gz CLWJQQGOKVTDMZ-PGUFJCEWSA-N 0 0 526.005 3.788 40 0 KHABRN Cc1ccccc1N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000012710361 553416924 /nfs/dbraw/zinc/41/69/24/553416924.db2.gz QDQJZDLEFOSBLU-WHGDAVGDSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1ccccc1N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000012710366 553416921 /nfs/dbraw/zinc/41/69/21/553416921.db2.gz QDQJZDLEFOSBLU-KSLSGZMSSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000012710396 553416940 /nfs/dbraw/zinc/41/69/40/553416940.db2.gz LGDCDXRGFUMSDO-WHGDAVGDSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1cccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000012710401 553416953 /nfs/dbraw/zinc/41/69/53/553416953.db2.gz LGDCDXRGFUMSDO-KSLSGZMSSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012710441 553416947 /nfs/dbraw/zinc/41/69/47/553416947.db2.gz ZVFPPWHTFYOSNN-WHGDAVGDSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1ccc(N(C(=O)C[S@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000012710445 553416881 /nfs/dbraw/zinc/41/68/81/553416881.db2.gz ZVFPPWHTFYOSNN-KSLSGZMSSA-N 0 0 501.624 3.692 40 0 KHABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000012710511 553417072 /nfs/dbraw/zinc/41/70/72/553417072.db2.gz BNNRYNSMBVAGSC-FXTIPPFDSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000012710514 553417059 /nfs/dbraw/zinc/41/70/59/553417059.db2.gz BNNRYNSMBVAGSC-XXICBBBGSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000012710532 553417111 /nfs/dbraw/zinc/41/71/11/553417111.db2.gz BZGGOYJEXISCET-FXTIPPFDSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000012710537 553417106 /nfs/dbraw/zinc/41/71/06/553417106.db2.gz BZGGOYJEXISCET-XXICBBBGSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012710546 553417068 /nfs/dbraw/zinc/41/70/68/553417068.db2.gz CYKZMKHRXDRFTB-FXTIPPFDSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000012710549 553417046 /nfs/dbraw/zinc/41/70/46/553417046.db2.gz CYKZMKHRXDRFTB-XXICBBBGSA-N 0 0 505.587 3.523 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000012710925 553417071 /nfs/dbraw/zinc/41/70/71/553417071.db2.gz SJWVNYVCZYKCNX-HXUWFJFHSA-N 0 0 513.645 3.731 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 ZINC000012710929 553417032 /nfs/dbraw/zinc/41/70/32/553417032.db2.gz SJWVNYVCZYKCNX-FQEVSTJZSA-N 0 0 513.645 3.731 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1N ZINC000012710931 553417037 /nfs/dbraw/zinc/41/70/37/553417037.db2.gz WAKXAZWOTCQICX-LJQANCHMSA-N 0 0 501.609 3.862 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1N ZINC000012710938 553417118 /nfs/dbraw/zinc/41/71/18/553417118.db2.gz WAKXAZWOTCQICX-IBGZPJMESA-N 0 0 501.609 3.862 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000012711078 553417056 /nfs/dbraw/zinc/41/70/56/553417056.db2.gz VTBZKOZEGVIGGM-HSZRJFAPSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000012711084 553417075 /nfs/dbraw/zinc/41/70/75/553417075.db2.gz VTBZKOZEGVIGGM-QHCPKHFHSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1 ZINC000012711086 553417374 /nfs/dbraw/zinc/41/73/74/553417374.db2.gz JLXQLZYVMZTNPO-HSZRJFAPSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1 ZINC000012711089 553417381 /nfs/dbraw/zinc/41/73/81/553417381.db2.gz JLXQLZYVMZTNPO-QHCPKHFHSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000012711092 553417352 /nfs/dbraw/zinc/41/73/52/553417352.db2.gz APVSZUSEXKDIHS-HSZRJFAPSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000012711097 553417344 /nfs/dbraw/zinc/41/73/44/553417344.db2.gz APVSZUSEXKDIHS-QHCPKHFHSA-N 0 0 521.643 3.978 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000012711123 553417339 /nfs/dbraw/zinc/41/73/39/553417339.db2.gz FUGCABGKKYTAJQ-JOCHJYFZSA-N 0 0 507.616 3.588 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000012711126 553417376 /nfs/dbraw/zinc/41/73/76/553417376.db2.gz FUGCABGKKYTAJQ-QFIPXVFZSA-N 0 0 507.616 3.588 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000012711129 553417330 /nfs/dbraw/zinc/41/73/30/553417330.db2.gz MZFYOCNBXABXGX-HSZRJFAPSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1 ZINC000012711134 553417368 /nfs/dbraw/zinc/41/73/68/553417368.db2.gz MZFYOCNBXABXGX-QHCPKHFHSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012711139 553417382 /nfs/dbraw/zinc/41/73/82/553417382.db2.gz LTSWEJIJXFCNJE-HSZRJFAPSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012711143 553417358 /nfs/dbraw/zinc/41/73/58/553417358.db2.gz LTSWEJIJXFCNJE-QHCPKHFHSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1 ZINC000012711146 553417369 /nfs/dbraw/zinc/41/73/69/553417369.db2.gz WUCRKBIPBMUZGR-HSZRJFAPSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1 ZINC000012711149 553417364 /nfs/dbraw/zinc/41/73/64/553417364.db2.gz WUCRKBIPBMUZGR-QHCPKHFHSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000012711151 553417377 /nfs/dbraw/zinc/41/73/77/553417377.db2.gz PKPKZWHWSGKFMP-HSZRJFAPSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000012711155 553417347 /nfs/dbraw/zinc/41/73/47/553417347.db2.gz PKPKZWHWSGKFMP-QHCPKHFHSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1 ZINC000012711158 553417361 /nfs/dbraw/zinc/41/73/61/553417361.db2.gz GWDVZWKOTPDLPS-HSZRJFAPSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1 ZINC000012711161 553417356 /nfs/dbraw/zinc/41/73/56/553417356.db2.gz GWDVZWKOTPDLPS-QHCPKHFHSA-N 0 0 521.643 3.897 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1 ZINC000012711429 553417429 /nfs/dbraw/zinc/41/74/29/553417429.db2.gz NYZWZLSFHZMQLW-JOCHJYFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1 ZINC000012711431 553417459 /nfs/dbraw/zinc/41/74/59/553417459.db2.gz NYZWZLSFHZMQLW-QFIPXVFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000012711434 553417512 /nfs/dbraw/zinc/41/75/12/553417512.db2.gz OOZZSCIWVZUKSA-JOCHJYFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000012711437 553417499 /nfs/dbraw/zinc/41/74/99/553417499.db2.gz OOZZSCIWVZUKSA-QFIPXVFZSA-N 0 0 509.632 3.692 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012711509 553417653 /nfs/dbraw/zinc/41/76/53/553417653.db2.gz LSDDVRLCWYOLHC-OAQYLSRUSA-N 0 0 509.632 3.752 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1 ZINC000012711512 553417662 /nfs/dbraw/zinc/41/76/62/553417662.db2.gz LSDDVRLCWYOLHC-NRFANRHFSA-N 0 0 509.632 3.752 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000012711515 553417642 /nfs/dbraw/zinc/41/76/42/553417642.db2.gz OFKASVKEZQQVMY-OAQYLSRUSA-N 0 0 509.632 3.752 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1 ZINC000012711518 553417648 /nfs/dbraw/zinc/41/76/48/553417648.db2.gz OFKASVKEZQQVMY-NRFANRHFSA-N 0 0 509.632 3.752 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1 ZINC000012711522 553417649 /nfs/dbraw/zinc/41/76/49/553417649.db2.gz VMFAZSDGMCDAOV-OAQYLSRUSA-N 0 0 509.632 3.752 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1 ZINC000012711525 553417652 /nfs/dbraw/zinc/41/76/52/553417652.db2.gz VMFAZSDGMCDAOV-NRFANRHFSA-N 0 0 509.632 3.752 40 0 KHABRN CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000012713551 553418391 /nfs/dbraw/zinc/41/83/91/553418391.db2.gz GDLSKLGARFLAFG-SANMLTNESA-N 0 0 517.561 3.984 40 0 KHABRN CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000012713555 553418381 /nfs/dbraw/zinc/41/83/81/553418381.db2.gz GDLSKLGARFLAFG-AREMUKBSSA-N 0 0 517.561 3.984 40 0 KHABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c1 ZINC000012714178 553418867 /nfs/dbraw/zinc/41/88/67/553418867.db2.gz KVTFCYBBAHGFLO-HHHXNRCGSA-N 0 0 529.597 3.853 40 0 KHABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)Cn2nnc3ccccc32)c1 ZINC000012714183 553418900 /nfs/dbraw/zinc/41/89/00/553418900.db2.gz KVTFCYBBAHGFLO-MHZLTWQESA-N 0 0 529.597 3.853 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)c1 ZINC000012714411 553419046 /nfs/dbraw/zinc/41/90/46/553419046.db2.gz NYMVZTIEXCRRDM-AREMUKBSSA-N 0 0 529.597 3.916 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2cccc(OC)c2)c1 ZINC000012714416 553418979 /nfs/dbraw/zinc/41/89/79/553418979.db2.gz NYMVZTIEXCRRDM-SANMLTNESA-N 0 0 529.597 3.916 40 0 KHABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)c1 ZINC000012714460 553419224 /nfs/dbraw/zinc/41/92/24/553419224.db2.gz MPLHXEMRWBQUNZ-HHHXNRCGSA-N 0 0 529.597 3.900 40 0 KHABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)c1 ZINC000012714464 553419217 /nfs/dbraw/zinc/41/92/17/553419217.db2.gz MPLHXEMRWBQUNZ-MHZLTWQESA-N 0 0 529.597 3.900 40 0 KHABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1 ZINC000012714468 553419211 /nfs/dbraw/zinc/41/92/11/553419211.db2.gz GKPDBXICSNCLQQ-AREMUKBSSA-N 0 0 515.570 3.858 40 0 KHABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCO3)c1 ZINC000012714473 553419206 /nfs/dbraw/zinc/41/92/06/553419206.db2.gz GKPDBXICSNCLQQ-SANMLTNESA-N 0 0 515.570 3.858 40 0 KHABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)C2)cc1 ZINC000012714496 553419205 /nfs/dbraw/zinc/41/92/05/553419205.db2.gz LDZQKPGAKFQSGQ-OAQYLSRUSA-N 0 0 519.689 3.599 40 0 KHABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)C2)cc1 ZINC000012714504 553419203 /nfs/dbraw/zinc/41/92/03/553419203.db2.gz LDZQKPGAKFQSGQ-NRFANRHFSA-N 0 0 519.689 3.599 40 0 KHABRN COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000012714544 553419201 /nfs/dbraw/zinc/41/92/01/553419201.db2.gz QNGCBJCRROUGDT-UHFFFAOYSA-N 0 0 500.642 3.871 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 ZINC000012714795 553419452 /nfs/dbraw/zinc/41/94/52/553419452.db2.gz VXYSXMHIFMMALC-OAQYLSRUSA-N 0 0 511.604 3.571 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 ZINC000012714799 553419435 /nfs/dbraw/zinc/41/94/35/553419435.db2.gz VXYSXMHIFMMALC-NRFANRHFSA-N 0 0 511.604 3.571 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 ZINC000012714804 553419439 /nfs/dbraw/zinc/41/94/39/553419439.db2.gz OCAKBTYBYHTVQY-OAQYLSRUSA-N 0 0 511.604 3.571 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)cc1 ZINC000012714809 553419510 /nfs/dbraw/zinc/41/95/10/553419510.db2.gz OCAKBTYBYHTVQY-NRFANRHFSA-N 0 0 511.604 3.571 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)o1 ZINC000012714814 553419513 /nfs/dbraw/zinc/41/95/13/553419513.db2.gz OZRQNUAVCTVRHV-JOCHJYFZSA-N 0 0 525.631 3.880 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(C)o1 ZINC000012714820 553419517 /nfs/dbraw/zinc/41/95/17/553419517.db2.gz OZRQNUAVCTVRHV-QFIPXVFZSA-N 0 0 525.631 3.880 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012715641 553419704 /nfs/dbraw/zinc/41/97/04/553419704.db2.gz LCFDWGZUXYXILS-HXUWFJFHSA-N 0 0 515.636 3.857 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000012715645 553419837 /nfs/dbraw/zinc/41/98/37/553419837.db2.gz LCFDWGZUXYXILS-FQEVSTJZSA-N 0 0 515.636 3.857 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012715737 553419853 /nfs/dbraw/zinc/41/98/53/553419853.db2.gz OMZSNYRFYIDIBS-LJQANCHMSA-N 0 0 501.634 3.620 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012715740 553419844 /nfs/dbraw/zinc/41/98/44/553419844.db2.gz OMZSNYRFYIDIBS-IBGZPJMESA-N 0 0 501.634 3.620 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000012716243 553420067 /nfs/dbraw/zinc/42/00/67/553420067.db2.gz IEDSWDOAUKQDDX-HSZRJFAPSA-N 0 0 506.563 3.528 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccco2)cc1 ZINC000012716247 553420054 /nfs/dbraw/zinc/42/00/54/553420054.db2.gz IEDSWDOAUKQDDX-QHCPKHFHSA-N 0 0 506.563 3.528 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000012716315 553420059 /nfs/dbraw/zinc/42/00/59/553420059.db2.gz YCZNTZJWDWOCAK-XMMPIXPASA-N 0 0 520.590 3.836 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000012716319 553420096 /nfs/dbraw/zinc/42/00/96/553420096.db2.gz YCZNTZJWDWOCAK-DEOSSOPVSA-N 0 0 520.590 3.836 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1 ZINC000012716325 553420069 /nfs/dbraw/zinc/42/00/69/553420069.db2.gz JUKSSEIQNPGXRH-HSZRJFAPSA-N 0 0 522.631 3.996 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1 ZINC000012716329 553420049 /nfs/dbraw/zinc/42/00/49/553420049.db2.gz JUKSSEIQNPGXRH-QHCPKHFHSA-N 0 0 522.631 3.996 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000012716396 553420089 /nfs/dbraw/zinc/42/00/89/553420089.db2.gz TXOGYXDLCMARAQ-HSZRJFAPSA-N 0 0 522.631 3.996 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@H](C(=O)NC(C)(C)C)c2cccs2)cc1 ZINC000012716401 553420050 /nfs/dbraw/zinc/42/00/50/553420050.db2.gz TXOGYXDLCMARAQ-QHCPKHFHSA-N 0 0 522.631 3.996 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000012716505 553420080 /nfs/dbraw/zinc/42/00/80/553420080.db2.gz VHNSKHWLWNCBTB-RUZDIDTESA-N 0 0 518.574 3.672 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1 ZINC000012716592 553420061 /nfs/dbraw/zinc/42/00/61/553420061.db2.gz WTVKBIJJAGHHTC-SFHVURJKSA-N 0 0 511.026 3.868 40 0 KHABRN CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2cn(C)nc2C)c1 ZINC000012716601 553420073 /nfs/dbraw/zinc/42/00/73/553420073.db2.gz HVCZKVCNXXRKIW-NDEPHWFRSA-N 0 0 527.629 3.899 40 0 KHABRN Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000012716617 553420190 /nfs/dbraw/zinc/42/01/90/553420190.db2.gz JAUXMTGWAKJGGJ-HHHXNRCGSA-N 0 0 514.586 3.722 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1 ZINC000012716678 553420247 /nfs/dbraw/zinc/42/02/47/553420247.db2.gz ZPLQEOTUDZQTOS-XMMPIXPASA-N 0 0 506.563 3.955 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)o1 ZINC000012716682 553420186 /nfs/dbraw/zinc/42/01/86/553420186.db2.gz UKRMSRVILXIQDU-WMZHIEFXSA-N 0 0 512.636 3.501 40 0 KHABRN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000012716708 553420196 /nfs/dbraw/zinc/42/01/96/553420196.db2.gz RLPLBIVOWDDBBQ-JOCHJYFZSA-N 0 0 510.653 3.760 40 0 KHABRN CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl ZINC000012770223 553420792 /nfs/dbraw/zinc/42/07/92/553420792.db2.gz NQSBOJIBPMNPCH-WJTDDFOZSA-N 0 0 504.033 3.716 40 0 KHABRN COc1cc(C2=NCC(=O)N(CC(=O)NCc3cccs3)c3sc(C)c(C)c32)cc(OC)c1OC ZINC000012833965 553421376 /nfs/dbraw/zinc/42/13/76/553421376.db2.gz IZCUTDODVLVPOK-UHFFFAOYSA-N 0 0 513.641 3.953 40 0 KHABRN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2)cc1 ZINC000012853072 553422080 /nfs/dbraw/zinc/42/20/80/553422080.db2.gz VGFCVQIKNKJQKH-IDISGSTGSA-N 0 0 513.660 3.995 40 0 KHABRN COc1ccc(CN(C(=O)c2csnn2)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccco2)cc1 ZINC000012872212 553424205 /nfs/dbraw/zinc/42/42/05/553424205.db2.gz PLOZUPKMAIUNHN-HSZRJFAPSA-N 0 0 506.540 3.569 40 0 KHABRN COc1ccc(CN(C(=O)c2csnn2)[C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccco2)cc1 ZINC000012872220 553424189 /nfs/dbraw/zinc/42/41/89/553424189.db2.gz PLOZUPKMAIUNHN-QHCPKHFHSA-N 0 0 506.540 3.569 40 0 KHABRN COc1ccccc1CN(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 ZINC000012872515 553424200 /nfs/dbraw/zinc/42/42/00/553424200.db2.gz LFIRYXHPQVUXJZ-HSZRJFAPSA-N 0 0 506.540 3.569 40 0 KHABRN COc1ccccc1CN(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccco1 ZINC000012872523 553424184 /nfs/dbraw/zinc/42/41/84/553424184.db2.gz LFIRYXHPQVUXJZ-QHCPKHFHSA-N 0 0 506.540 3.569 40 0 KHABRN COc1cc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1S(=O)(=O)N1CCCC1 ZINC000012876829 553424750 /nfs/dbraw/zinc/42/47/50/553424750.db2.gz SRAMUFXOUSYTKZ-UHFFFAOYSA-N 0 0 521.686 3.658 40 0 KHABRN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000012876845 553424722 /nfs/dbraw/zinc/42/47/22/553424722.db2.gz IHUVFYYXWJXGBA-GOSISDBHSA-N 0 0 502.662 3.694 40 0 KHABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000012876852 553424944 /nfs/dbraw/zinc/42/49/44/553424944.db2.gz IHUVFYYXWJXGBA-SFHVURJKSA-N 0 0 502.662 3.694 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 ZINC000013023436 553433386 /nfs/dbraw/zinc/43/33/86/553433386.db2.gz ZDYUUHSAOHMLHL-SANMLTNESA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 ZINC000013023439 553433388 /nfs/dbraw/zinc/43/33/88/553433388.db2.gz ZDYUUHSAOHMLHL-AREMUKBSSA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013023442 553433382 /nfs/dbraw/zinc/43/33/82/553433382.db2.gz UTWNPKASNGJFFX-SANMLTNESA-N 0 0 514.586 3.630 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013023444 553433412 /nfs/dbraw/zinc/43/34/12/553433412.db2.gz UTWNPKASNGJFFX-AREMUKBSSA-N 0 0 514.586 3.630 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013023447 553433366 /nfs/dbraw/zinc/43/33/66/553433366.db2.gz YHJFLOODNFFWPZ-SANMLTNESA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013023450 553433384 /nfs/dbraw/zinc/43/33/84/553433384.db2.gz YHJFLOODNFFWPZ-AREMUKBSSA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013023512 553433380 /nfs/dbraw/zinc/43/33/80/553433380.db2.gz OQGJSFBYRORPOR-VWLOTQADSA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013023515 553433422 /nfs/dbraw/zinc/43/34/22/553433422.db2.gz OQGJSFBYRORPOR-RUZDIDTESA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(=O)OC)c1 ZINC000013023523 553433598 /nfs/dbraw/zinc/43/35/98/553433598.db2.gz PUBWVVJMDAKGID-VWLOTQADSA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(=O)OC)c1 ZINC000013023525 553433559 /nfs/dbraw/zinc/43/35/59/553433559.db2.gz PUBWVVJMDAKGID-RUZDIDTESA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013023532 553433580 /nfs/dbraw/zinc/43/35/80/553433580.db2.gz GUKHBNPLOZRXCA-SANMLTNESA-N 0 0 513.602 3.864 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013023535 553433591 /nfs/dbraw/zinc/43/35/91/553433591.db2.gz GUKHBNPLOZRXCA-AREMUKBSSA-N 0 0 513.602 3.864 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013023543 553433563 /nfs/dbraw/zinc/43/35/63/553433563.db2.gz QZPKWTFXJVGTPZ-VWLOTQADSA-N 0 0 500.559 3.634 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013023545 553433578 /nfs/dbraw/zinc/43/35/78/553433578.db2.gz QZPKWTFXJVGTPZ-RUZDIDTESA-N 0 0 500.559 3.634 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013023548 553433588 /nfs/dbraw/zinc/43/35/88/553433588.db2.gz NAGPNNISZCWJSE-SANMLTNESA-N 0 0 514.586 3.677 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013023551 553433561 /nfs/dbraw/zinc/43/35/61/553433561.db2.gz NAGPNNISZCWJSE-AREMUKBSSA-N 0 0 514.586 3.677 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000013023568 553433576 /nfs/dbraw/zinc/43/35/76/553433576.db2.gz AVMZZMZEDMCOPQ-SANMLTNESA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000013023570 553433603 /nfs/dbraw/zinc/43/36/03/553433603.db2.gz AVMZZMZEDMCOPQ-AREMUKBSSA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC ZINC000013023585 553433594 /nfs/dbraw/zinc/43/35/94/553433594.db2.gz BKIOOELQJPLIIL-SANMLTNESA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC ZINC000013023588 553433582 /nfs/dbraw/zinc/43/35/82/553433582.db2.gz BKIOOELQJPLIIL-AREMUKBSSA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 ZINC000013023699 553433758 /nfs/dbraw/zinc/43/37/58/553433758.db2.gz YNFTYESMJNIMHM-SANMLTNESA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1ccccc1OC)C(=O)Cn1nnc2ccccc21 ZINC000013023702 553433752 /nfs/dbraw/zinc/43/37/52/553433752.db2.gz YNFTYESMJNIMHM-AREMUKBSSA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013023704 553433805 /nfs/dbraw/zinc/43/38/05/553433805.db2.gz ICEDXDKIEGNOBK-SANMLTNESA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1cccc(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000013023707 553433789 /nfs/dbraw/zinc/43/37/89/553433789.db2.gz ICEDXDKIEGNOBK-AREMUKBSSA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013023710 553433799 /nfs/dbraw/zinc/43/37/99/553433799.db2.gz WUQINZYTJFDEOW-SANMLTNESA-N 0 0 514.586 3.630 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013023712 553433793 /nfs/dbraw/zinc/43/37/93/553433793.db2.gz WUQINZYTJFDEOW-AREMUKBSSA-N 0 0 514.586 3.630 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013023715 553433784 /nfs/dbraw/zinc/43/37/84/553433784.db2.gz DHVKSUHJVZSTDB-SANMLTNESA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013023718 553433756 /nfs/dbraw/zinc/43/37/56/553433756.db2.gz DHVKSUHJVZSTDB-AREMUKBSSA-N 0 0 500.603 3.910 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(=O)OC)c1 ZINC000013023796 553433803 /nfs/dbraw/zinc/43/38/03/553433803.db2.gz IKNOKZGSYIQMKD-VWLOTQADSA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(=O)OC)c1 ZINC000013023799 553433766 /nfs/dbraw/zinc/43/37/66/553433766.db2.gz IKNOKZGSYIQMKD-RUZDIDTESA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013023802 553433797 /nfs/dbraw/zinc/43/37/97/553433797.db2.gz VIVMYLWTQJLFAG-VWLOTQADSA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013023804 553433780 /nfs/dbraw/zinc/43/37/80/553433780.db2.gz VIVMYLWTQJLFAG-RUZDIDTESA-N 0 0 514.586 3.692 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013023812 553433744 /nfs/dbraw/zinc/43/37/44/553433744.db2.gz SBMMVRWJBTZEEC-SANMLTNESA-N 0 0 513.602 3.864 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(C)=O)cc1 ZINC000013023815 553433782 /nfs/dbraw/zinc/43/37/82/553433782.db2.gz SBMMVRWJBTZEEC-AREMUKBSSA-N 0 0 513.602 3.864 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013023827 553433754 /nfs/dbraw/zinc/43/37/54/553433754.db2.gz CDNPCYQUOAMMSU-VWLOTQADSA-N 0 0 500.559 3.634 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013023830 553433801 /nfs/dbraw/zinc/43/38/01/553433801.db2.gz CDNPCYQUOAMMSU-RUZDIDTESA-N 0 0 500.559 3.634 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013023833 553433795 /nfs/dbraw/zinc/43/37/95/553433795.db2.gz OPYDRLGUKJHABU-SANMLTNESA-N 0 0 514.586 3.677 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013023835 553433808 /nfs/dbraw/zinc/43/38/08/553433808.db2.gz OPYDRLGUKJHABU-AREMUKBSSA-N 0 0 514.586 3.677 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000013023842 553433760 /nfs/dbraw/zinc/43/37/60/553433760.db2.gz MVARMMGUNVQETQ-SANMLTNESA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000013023844 553433787 /nfs/dbraw/zinc/43/37/87/553433787.db2.gz MVARMMGUNVQETQ-AREMUKBSSA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC ZINC000013023857 553433939 /nfs/dbraw/zinc/43/39/39/553433939.db2.gz PEKSLRAZGSRTPT-SANMLTNESA-N 0 0 516.602 3.923 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC ZINC000013023860 553433929 /nfs/dbraw/zinc/43/39/29/553433929.db2.gz PEKSLRAZGSRTPT-AREMUKBSSA-N 0 0 516.602 3.923 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1cc(OC)ccc1OC ZINC000013023939 553433900 /nfs/dbraw/zinc/43/39/00/553433900.db2.gz KEYDJBMIJOASSV-AREMUKBSSA-N 0 0 525.650 3.750 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1cc(OC)ccc1OC ZINC000013023942 553433914 /nfs/dbraw/zinc/43/39/14/553433914.db2.gz KEYDJBMIJOASSV-SANMLTNESA-N 0 0 525.650 3.750 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cc(OC)ccc1OC)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013023950 553433942 /nfs/dbraw/zinc/43/39/42/553433942.db2.gz SBMDPKHWPQASJS-FNZWTVRRSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cc(OC)ccc1OC)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013023953 553433887 /nfs/dbraw/zinc/43/38/87/553433887.db2.gz SBMDPKHWPQASJS-RXFWQSSRSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cc(OC)ccc1OC)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013023954 553433897 /nfs/dbraw/zinc/43/38/97/553433897.db2.gz SBMDPKHWPQASJS-IBVKSMDESA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cc(OC)ccc1OC)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013023957 553433911 /nfs/dbraw/zinc/43/39/11/553433911.db2.gz SBMDPKHWPQASJS-FQRUVTKNSA-N 0 0 523.634 3.502 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1cccc(OC)c1OC ZINC000013024018 553433947 /nfs/dbraw/zinc/43/39/47/553433947.db2.gz QKFGRVKBPBFIKA-RUZDIDTESA-N 0 0 525.650 3.750 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1cccc(OC)c1OC ZINC000013024021 553433926 /nfs/dbraw/zinc/43/39/26/553433926.db2.gz QKFGRVKBPBFIKA-VWLOTQADSA-N 0 0 525.650 3.750 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024029 553434122 /nfs/dbraw/zinc/43/41/22/553434122.db2.gz DPIPGUJHSAEXCF-DFBJGRDBSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024033 553434143 /nfs/dbraw/zinc/43/41/43/553434143.db2.gz DPIPGUJHSAEXCF-UQBPGWFLSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1OC)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024035 553434151 /nfs/dbraw/zinc/43/41/51/553434151.db2.gz DPIPGUJHSAEXCF-CLOONOSVSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1OC)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024038 553434131 /nfs/dbraw/zinc/43/41/31/553434131.db2.gz DPIPGUJHSAEXCF-KBMIEXCESA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1OC)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024072 553434110 /nfs/dbraw/zinc/43/41/10/553434110.db2.gz ZBQZPZIHKOOSGF-FNZWTVRRSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1OC)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024075 553434144 /nfs/dbraw/zinc/43/41/44/553434144.db2.gz ZBQZPZIHKOOSGF-RXFWQSSRSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1OC)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024077 553434127 /nfs/dbraw/zinc/43/41/27/553434127.db2.gz ZBQZPZIHKOOSGF-IBVKSMDESA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)cc1OC)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024080 553434152 /nfs/dbraw/zinc/43/41/52/553434152.db2.gz ZBQZPZIHKOOSGF-FQRUVTKNSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024115 553434116 /nfs/dbraw/zinc/43/41/16/553434116.db2.gz FHDUGLYNWMXXQB-FNZWTVRRSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024118 553434147 /nfs/dbraw/zinc/43/41/47/553434147.db2.gz FHDUGLYNWMXXQB-RXFWQSSRSA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)c(OC)c1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024121 553434149 /nfs/dbraw/zinc/43/41/49/553434149.db2.gz FHDUGLYNWMXXQB-IBVKSMDESA-N 0 0 523.634 3.502 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(OC)c(OC)c1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024124 553434114 /nfs/dbraw/zinc/43/41/14/553434114.db2.gz FHDUGLYNWMXXQB-FQRUVTKNSA-N 0 0 523.634 3.502 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013024437 553434556 /nfs/dbraw/zinc/43/45/56/553434556.db2.gz BQDFSRUVFBYVBP-BKMJKUGQSA-N 0 0 507.635 3.884 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013024439 553434538 /nfs/dbraw/zinc/43/45/38/553434538.db2.gz BQDFSRUVFBYVBP-NVQXNPDNSA-N 0 0 507.635 3.884 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013024441 553434528 /nfs/dbraw/zinc/43/45/28/553434528.db2.gz BQDFSRUVFBYVBP-ATIYNZHBSA-N 0 0 507.635 3.884 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)CC)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013024444 553434576 /nfs/dbraw/zinc/43/45/76/553434576.db2.gz BQDFSRUVFBYVBP-GJZUVCINSA-N 0 0 507.635 3.884 40 0 KHABRN COCCN(C(=O)CCCC(=O)Nc1ccccn1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013027457 553437086 /nfs/dbraw/zinc/43/70/86/553437086.db2.gz MOKBHSGOYRWLGQ-HHHXNRCGSA-N 0 0 510.635 3.864 40 0 KHABRN COCCN(C(=O)CCCC(=O)Nc1ccccn1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 ZINC000013027460 553437073 /nfs/dbraw/zinc/43/70/73/553437073.db2.gz MOKBHSGOYRWLGQ-MHZLTWQESA-N 0 0 510.635 3.864 40 0 KHABRN CCOC(=O)Cc1csc(NC(=O)CSc2nnc3c4c5c(sc4nc(C)n23)CCCC5)n1 ZINC000013028032 553437498 /nfs/dbraw/zinc/43/74/98/553437498.db2.gz PTUOTAWSBXOLLX-UHFFFAOYSA-N 0 0 502.647 3.819 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1F ZINC000013028322 553437725 /nfs/dbraw/zinc/43/77/25/553437725.db2.gz OBMXUUXZMASPIB-KDYSTLNUSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@H](C(=O)NCc1ccccc1)c1ccccc1F ZINC000013028325 553437706 /nfs/dbraw/zinc/43/77/06/553437706.db2.gz OBMXUUXZMASPIB-IDISGSTGSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1F ZINC000013028329 553437696 /nfs/dbraw/zinc/43/76/96/553437696.db2.gz OBMXUUXZMASPIB-JIPXPUAJSA-N 0 0 501.562 3.636 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccccc1)c1ccccc1F ZINC000013028332 553437729 /nfs/dbraw/zinc/43/77/29/553437729.db2.gz OBMXUUXZMASPIB-ZBLYBZFDSA-N 0 0 501.562 3.636 40 0 KHABRN CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028419 553437716 /nfs/dbraw/zinc/43/77/16/553437716.db2.gz JQSLWZPTNVVWRJ-ABYGYWHVSA-N 0 0 527.625 3.895 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028422 553437710 /nfs/dbraw/zinc/43/77/10/553437710.db2.gz JQSLWZPTNVVWRJ-SVEHJYQDSA-N 0 0 527.625 3.895 40 0 KHABRN CCOc1ccc([C@H](C(=O)NCc2ccccc2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028425 553437720 /nfs/dbraw/zinc/43/77/20/553437720.db2.gz JQSLWZPTNVVWRJ-VAVYLYDRSA-N 0 0 527.625 3.895 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NCc2ccccc2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013028428 553437731 /nfs/dbraw/zinc/43/77/31/553437731.db2.gz JQSLWZPTNVVWRJ-IRPSRAIASA-N 0 0 527.625 3.895 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1cccc(OC)c1 ZINC000013028550 553437822 /nfs/dbraw/zinc/43/78/22/553437822.db2.gz UHJJTJLBXUBOSJ-HHHXNRCGSA-N 0 0 507.635 3.885 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1cccc(OC)c1 ZINC000013028552 553437845 /nfs/dbraw/zinc/43/78/45/553437845.db2.gz UHJJTJLBXUBOSJ-MHZLTWQESA-N 0 0 507.635 3.885 40 0 KHABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028571 553437858 /nfs/dbraw/zinc/43/78/58/553437858.db2.gz JIUKFCWLOUGZCU-WNCULLNHSA-N 0 0 505.619 3.638 40 0 KHABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028574 553437821 /nfs/dbraw/zinc/43/78/21/553437821.db2.gz JIUKFCWLOUGZCU-HOFKKMOUSA-N 0 0 505.619 3.638 40 0 KHABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028576 553437855 /nfs/dbraw/zinc/43/78/55/553437855.db2.gz JIUKFCWLOUGZCU-YIXXDRMTSA-N 0 0 505.619 3.638 40 0 KHABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028580 553437841 /nfs/dbraw/zinc/43/78/41/553437841.db2.gz JIUKFCWLOUGZCU-KCWPFWIISA-N 0 0 505.619 3.638 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1OC ZINC000013028747 553438010 /nfs/dbraw/zinc/43/80/10/553438010.db2.gz AGNLDGZWPJZSDV-MUUNZHRXSA-N 0 0 537.661 3.894 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1OC ZINC000013028750 553437993 /nfs/dbraw/zinc/43/79/93/553437993.db2.gz AGNLDGZWPJZSDV-NDEPHWFRSA-N 0 0 537.661 3.894 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013028756 553438220 /nfs/dbraw/zinc/43/82/20/553438220.db2.gz LEGRGHNODXOPDX-RBISFHTESA-N 0 0 535.645 3.646 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013028759 553438201 /nfs/dbraw/zinc/43/82/01/553438201.db2.gz LEGRGHNODXOPDX-DWACAAAGSA-N 0 0 535.645 3.646 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013028762 553438238 /nfs/dbraw/zinc/43/82/38/553438238.db2.gz LEGRGHNODXOPDX-SKCUWOTOSA-N 0 0 535.645 3.646 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013028764 553438246 /nfs/dbraw/zinc/43/82/46/553438246.db2.gz LEGRGHNODXOPDX-DFHRPNOPSA-N 0 0 535.645 3.646 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1cc(OC)ccc1OC ZINC000013028773 553438203 /nfs/dbraw/zinc/43/82/03/553438203.db2.gz MXONGYHELKUMFY-MUUNZHRXSA-N 0 0 537.661 3.894 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1cc(OC)ccc1OC ZINC000013028775 553438257 /nfs/dbraw/zinc/43/82/57/553438257.db2.gz MXONGYHELKUMFY-NDEPHWFRSA-N 0 0 537.661 3.894 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028791 553438206 /nfs/dbraw/zinc/43/82/06/553438206.db2.gz DXQYKXHWMMTTJU-RBISFHTESA-N 0 0 535.645 3.646 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028794 553438254 /nfs/dbraw/zinc/43/82/54/553438254.db2.gz DXQYKXHWMMTTJU-DWACAAAGSA-N 0 0 535.645 3.646 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028797 553438241 /nfs/dbraw/zinc/43/82/41/553438241.db2.gz DXQYKXHWMMTTJU-SKCUWOTOSA-N 0 0 535.645 3.646 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013028799 553438212 /nfs/dbraw/zinc/43/82/12/553438212.db2.gz DXQYKXHWMMTTJU-DFHRPNOPSA-N 0 0 535.645 3.646 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCCC1)c1cccc(OC)c1OC ZINC000013028805 553438250 /nfs/dbraw/zinc/43/82/50/553438250.db2.gz GKVKGCZWUFGHCS-HHHXNRCGSA-N 0 0 537.661 3.894 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCCC1)c1cccc(OC)c1OC ZINC000013028807 553438214 /nfs/dbraw/zinc/43/82/14/553438214.db2.gz GKVKGCZWUFGHCS-MHZLTWQESA-N 0 0 537.661 3.894 40 0 KHABRN CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013028845 553438208 /nfs/dbraw/zinc/43/82/08/553438208.db2.gz AGEBUOFKNCIXKS-DEOSSOPVSA-N 0 0 505.600 3.953 40 0 KHABRN CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013028848 553438261 /nfs/dbraw/zinc/43/82/61/553438261.db2.gz AGEBUOFKNCIXKS-XMMPIXPASA-N 0 0 505.600 3.953 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029040 553438569 /nfs/dbraw/zinc/43/85/69/553438569.db2.gz YFMPNLHESANKAM-RUZDIDTESA-N 0 0 505.575 3.726 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029042 553438580 /nfs/dbraw/zinc/43/85/80/553438580.db2.gz YFMPNLHESANKAM-VWLOTQADSA-N 0 0 505.575 3.726 40 0 KHABRN COc1cc(OC)cc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029140 553438777 /nfs/dbraw/zinc/43/87/77/553438777.db2.gz SAWKQQBTCPUWMM-RUZDIDTESA-N 0 0 505.575 3.726 40 0 KHABRN COc1cc(OC)cc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029143 553438693 /nfs/dbraw/zinc/43/86/93/553438693.db2.gz SAWKQQBTCPUWMM-VWLOTQADSA-N 0 0 505.575 3.726 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)C)c1ccc(OCC)c(OC)c1 ZINC000013029231 553438906 /nfs/dbraw/zinc/43/89/06/553438906.db2.gz QFHFAPUJEVNTSM-AREMUKBSSA-N 0 0 525.650 3.750 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)C)c1ccc(OCC)c(OC)c1 ZINC000013029233 553438909 /nfs/dbraw/zinc/43/89/09/553438909.db2.gz QFHFAPUJEVNTSM-SANMLTNESA-N 0 0 525.650 3.750 40 0 KHABRN COc1cccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029278 553439124 /nfs/dbraw/zinc/43/91/24/553439124.db2.gz OTEJDNZJCKWPGZ-XMMPIXPASA-N 0 0 505.575 3.726 40 0 KHABRN COc1cccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029280 553439069 /nfs/dbraw/zinc/43/90/69/553439069.db2.gz OTEJDNZJCKWPGZ-DEOSSOPVSA-N 0 0 505.575 3.726 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccc(OCC)c(OC)c1 ZINC000013029579 553439412 /nfs/dbraw/zinc/43/94/12/553439412.db2.gz YRZXEONVWBXCGW-MUUNZHRXSA-N 0 0 537.661 3.894 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccc(OCC)c(OC)c1 ZINC000013029583 553439443 /nfs/dbraw/zinc/43/94/43/553439443.db2.gz YRZXEONVWBXCGW-NDEPHWFRSA-N 0 0 537.661 3.894 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013029592 553439590 /nfs/dbraw/zinc/43/95/90/553439590.db2.gz RLYRUCAVTUYTQX-RBISFHTESA-N 0 0 535.645 3.646 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013029595 553439611 /nfs/dbraw/zinc/43/96/11/553439611.db2.gz RLYRUCAVTUYTQX-DWACAAAGSA-N 0 0 535.645 3.646 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013029598 553439599 /nfs/dbraw/zinc/43/95/99/553439599.db2.gz RLYRUCAVTUYTQX-SKCUWOTOSA-N 0 0 535.645 3.646 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013029601 553439613 /nfs/dbraw/zinc/43/96/13/553439613.db2.gz RLYRUCAVTUYTQX-DFHRPNOPSA-N 0 0 535.645 3.646 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cc(OC)cc(OC)c1 ZINC000013029608 553439581 /nfs/dbraw/zinc/43/95/81/553439581.db2.gz QKAOKWJXUWCONP-HHHXNRCGSA-N 0 0 523.634 3.504 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cc(OC)cc(OC)c1 ZINC000013029611 553439601 /nfs/dbraw/zinc/43/96/01/553439601.db2.gz QKAOKWJXUWCONP-MHZLTWQESA-N 0 0 523.634 3.504 40 0 KHABRN COc1cc(OC)cc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029619 553439575 /nfs/dbraw/zinc/43/95/75/553439575.db2.gz MVEWGXOBFIISEK-HHHXNRCGSA-N 0 0 517.586 3.870 40 0 KHABRN COc1cc(OC)cc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029623 553439578 /nfs/dbraw/zinc/43/95/78/553439578.db2.gz MVEWGXOBFIISEK-MHZLTWQESA-N 0 0 517.586 3.870 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cc(OC)ccc1OC ZINC000013029847 553439919 /nfs/dbraw/zinc/43/99/19/553439919.db2.gz JJVWWVMXEMRPOW-HHHXNRCGSA-N 0 0 523.634 3.504 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cc(OC)ccc1OC ZINC000013029850 553439901 /nfs/dbraw/zinc/43/99/01/553439901.db2.gz JJVWWVMXEMRPOW-MHZLTWQESA-N 0 0 523.634 3.504 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029853 553439958 /nfs/dbraw/zinc/43/99/58/553439958.db2.gz ZRGQJVICMFNVIW-HHHXNRCGSA-N 0 0 517.586 3.870 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1 ZINC000013029855 553439969 /nfs/dbraw/zinc/43/99/69/553439969.db2.gz ZRGQJVICMFNVIW-MHZLTWQESA-N 0 0 517.586 3.870 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013029887 553440156 /nfs/dbraw/zinc/44/01/56/553440156.db2.gz ZLEUHTTYJAGVME-AREMUKBSSA-N 0 0 523.634 3.504 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1cccc(OC)c1OC ZINC000013029890 553440211 /nfs/dbraw/zinc/44/02/11/553440211.db2.gz ZLEUHTTYJAGVME-SANMLTNESA-N 0 0 523.634 3.504 40 0 KHABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029892 553440243 /nfs/dbraw/zinc/44/02/43/553440243.db2.gz MUHJGGMNXZYRIV-AREMUKBSSA-N 0 0 517.586 3.870 40 0 KHABRN COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1OC ZINC000013029895 553440231 /nfs/dbraw/zinc/44/02/31/553440231.db2.gz MUHJGGMNXZYRIV-SANMLTNESA-N 0 0 517.586 3.870 40 0 KHABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013029940 553440185 /nfs/dbraw/zinc/44/01/85/553440185.db2.gz XHJSKLOPMWEGIF-KDYSTLNUSA-N 0 0 505.619 3.638 40 0 KHABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013029942 553440214 /nfs/dbraw/zinc/44/02/14/553440214.db2.gz XHJSKLOPMWEGIF-IDISGSTGSA-N 0 0 505.619 3.638 40 0 KHABRN CCOc1ccccc1[C@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013029944 553440159 /nfs/dbraw/zinc/44/01/59/553440159.db2.gz XHJSKLOPMWEGIF-JIPXPUAJSA-N 0 0 505.619 3.638 40 0 KHABRN CCOc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013029947 553440181 /nfs/dbraw/zinc/44/01/81/553440181.db2.gz XHJSKLOPMWEGIF-ZBLYBZFDSA-N 0 0 505.619 3.638 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1OC ZINC000013029996 553440251 /nfs/dbraw/zinc/44/02/51/553440251.db2.gz GTIYBWWYIYCQLT-HHHXNRCGSA-N 0 0 523.634 3.504 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccc(OC)cc1OC ZINC000013029999 553440261 /nfs/dbraw/zinc/44/02/61/553440261.db2.gz GTIYBWWYIYCQLT-MHZLTWQESA-N 0 0 523.634 3.504 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030002 553440316 /nfs/dbraw/zinc/44/03/16/553440316.db2.gz FUGFPYLEYRPPEH-HHHXNRCGSA-N 0 0 517.586 3.870 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030005 553440278 /nfs/dbraw/zinc/44/02/78/553440278.db2.gz FUGFPYLEYRPPEH-MHZLTWQESA-N 0 0 517.586 3.870 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(OC)cc1OC ZINC000013030475 553440602 /nfs/dbraw/zinc/44/06/02/553440602.db2.gz DOHWUFIQEFZVIE-HHHXNRCGSA-N 0 0 525.650 3.607 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(OC)cc1OC ZINC000013030477 553440609 /nfs/dbraw/zinc/44/06/09/553440609.db2.gz DOHWUFIQEFZVIE-MHZLTWQESA-N 0 0 525.650 3.607 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030483 553440656 /nfs/dbraw/zinc/44/06/56/553440656.db2.gz PFCNBUXGVMOSCN-HHHXNRCGSA-N 0 0 519.602 3.974 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000013030485 553440981 /nfs/dbraw/zinc/44/09/81/553440981.db2.gz PFCNBUXGVMOSCN-MHZLTWQESA-N 0 0 519.602 3.974 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(OC)c(OC)c1 ZINC000013030529 553440985 /nfs/dbraw/zinc/44/09/85/553440985.db2.gz KPRORBLAGPIMIN-HHHXNRCGSA-N 0 0 525.650 3.607 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(OC)c(OC)c1 ZINC000013030531 553440949 /nfs/dbraw/zinc/44/09/49/553440949.db2.gz KPRORBLAGPIMIN-MHZLTWQESA-N 0 0 525.650 3.607 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030539 553440992 /nfs/dbraw/zinc/44/09/92/553440992.db2.gz MMGYCOJMYNWDCD-HHHXNRCGSA-N 0 0 519.602 3.974 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000013030541 553440986 /nfs/dbraw/zinc/44/09/86/553440986.db2.gz MMGYCOJMYNWDCD-MHZLTWQESA-N 0 0 519.602 3.974 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccc(OCC)c(OC)c1 ZINC000013030687 553441061 /nfs/dbraw/zinc/44/10/61/553441061.db2.gz UTJJGAQQGIGYQA-MUUNZHRXSA-N 0 0 539.677 3.997 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccc(OCC)c(OC)c1 ZINC000013030690 553441072 /nfs/dbraw/zinc/44/10/72/553441072.db2.gz UTJJGAQQGIGYQA-NDEPHWFRSA-N 0 0 539.677 3.997 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030814 553441245 /nfs/dbraw/zinc/44/12/45/553441245.db2.gz PAIXPVABINXOIW-AREMUKBSSA-N 0 0 514.586 3.550 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030817 553441276 /nfs/dbraw/zinc/44/12/76/553441276.db2.gz PAIXPVABINXOIW-SANMLTNESA-N 0 0 514.586 3.550 40 0 KHABRN CCOC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030820 553441261 /nfs/dbraw/zinc/44/12/61/553441261.db2.gz LJMJVQNHMSDSJI-HHHXNRCGSA-N 0 0 528.613 3.940 40 0 KHABRN CCOC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030823 553441258 /nfs/dbraw/zinc/44/12/58/553441258.db2.gz LJMJVQNHMSDSJI-MHZLTWQESA-N 0 0 528.613 3.940 40 0 KHABRN CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)cc1 ZINC000013030833 553441226 /nfs/dbraw/zinc/44/12/26/553441226.db2.gz OPQVLBPNNMDKOO-HHHXNRCGSA-N 0 0 528.613 3.940 40 0 KHABRN CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)cc1 ZINC000013030836 553441212 /nfs/dbraw/zinc/44/12/12/553441212.db2.gz OPQVLBPNNMDKOO-MHZLTWQESA-N 0 0 528.613 3.940 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)cc1 ZINC000013030845 553441268 /nfs/dbraw/zinc/44/12/68/553441268.db2.gz KSJRPJDZCDBJJK-MHZLTWQESA-N 0 0 513.602 3.722 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)cc1 ZINC000013030848 553441239 /nfs/dbraw/zinc/44/12/39/553441239.db2.gz KSJRPJDZCDBJJK-HHHXNRCGSA-N 0 0 513.602 3.722 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013030864 553441243 /nfs/dbraw/zinc/44/12/43/553441243.db2.gz XHHANSFDTQKLGA-MHZLTWQESA-N 0 0 514.586 3.534 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013030867 553441297 /nfs/dbraw/zinc/44/12/97/553441297.db2.gz XHHANSFDTQKLGA-HHHXNRCGSA-N 0 0 514.586 3.534 40 0 KHABRN COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030881 553441236 /nfs/dbraw/zinc/44/12/36/553441236.db2.gz AKBYZXNDGDCYCG-HHHXNRCGSA-N 0 0 516.602 3.780 40 0 KHABRN COc1cc(OC)cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)c1 ZINC000013030883 553441228 /nfs/dbraw/zinc/44/12/28/553441228.db2.gz AKBYZXNDGDCYCG-MHZLTWQESA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)cc1OC ZINC000013030886 553441255 /nfs/dbraw/zinc/44/12/55/553441255.db2.gz UHKMAHZMTUCZTC-HHHXNRCGSA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)cc1OC ZINC000013030889 553441295 /nfs/dbraw/zinc/44/12/95/553441295.db2.gz UHKMAHZMTUCZTC-MHZLTWQESA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2cccnc2)c(OC)c1 ZINC000013030914 553441339 /nfs/dbraw/zinc/44/13/39/553441339.db2.gz KIEZTBNLLUUZMP-HHHXNRCGSA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2cccnc2)c(OC)c1 ZINC000013030917 553441336 /nfs/dbraw/zinc/44/13/36/553441336.db2.gz KIEZTBNLLUUZMP-MHZLTWQESA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCCC(C)C)c1ccncc1 ZINC000013031013 553441346 /nfs/dbraw/zinc/44/13/46/553441346.db2.gz OIQQQWSDYQNSST-HHHXNRCGSA-N 0 0 500.603 3.767 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCCC(C)C)c1ccncc1 ZINC000013031015 553441352 /nfs/dbraw/zinc/44/13/52/553441352.db2.gz OIQQQWSDYQNSST-MHZLTWQESA-N 0 0 500.603 3.767 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)c1 ZINC000013031069 553441356 /nfs/dbraw/zinc/44/13/56/553441356.db2.gz UQTMSBNSLTUTIZ-AREMUKBSSA-N 0 0 514.586 3.550 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)c1 ZINC000013031071 553441374 /nfs/dbraw/zinc/44/13/74/553441374.db2.gz UQTMSBNSLTUTIZ-SANMLTNESA-N 0 0 514.586 3.550 40 0 KHABRN CCOC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)c1 ZINC000013031074 553441343 /nfs/dbraw/zinc/44/13/43/553441343.db2.gz STHHECLOZKAHPM-HHHXNRCGSA-N 0 0 528.613 3.940 40 0 KHABRN CCOC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)c1 ZINC000013031077 553441337 /nfs/dbraw/zinc/44/13/37/553441337.db2.gz STHHECLOZKAHPM-MHZLTWQESA-N 0 0 528.613 3.940 40 0 KHABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)cc1 ZINC000013031079 553441351 /nfs/dbraw/zinc/44/13/51/553441351.db2.gz RATCMMFNMWAQLT-AREMUKBSSA-N 0 0 514.586 3.550 40 0 KHABRN COC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)cc1 ZINC000013031081 553441378 /nfs/dbraw/zinc/44/13/78/553441378.db2.gz RATCMMFNMWAQLT-SANMLTNESA-N 0 0 514.586 3.550 40 0 KHABRN CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)cc1 ZINC000013031084 553441330 /nfs/dbraw/zinc/44/13/30/553441330.db2.gz MKKNBXQDHCBUMY-HHHXNRCGSA-N 0 0 528.613 3.940 40 0 KHABRN CCOC(=O)c1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)cc1 ZINC000013031086 553441368 /nfs/dbraw/zinc/44/13/68/553441368.db2.gz MKKNBXQDHCBUMY-MHZLTWQESA-N 0 0 528.613 3.940 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)cc1 ZINC000013031088 553441364 /nfs/dbraw/zinc/44/13/64/553441364.db2.gz YJJWHDRGRIUPJR-MHZLTWQESA-N 0 0 513.602 3.722 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)cc1 ZINC000013031090 553441341 /nfs/dbraw/zinc/44/13/41/553441341.db2.gz YJJWHDRGRIUPJR-HHHXNRCGSA-N 0 0 513.602 3.722 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013031107 553441590 /nfs/dbraw/zinc/44/15/90/553441590.db2.gz MYRUXNAQWJJOSE-MHZLTWQESA-N 0 0 514.586 3.534 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013031110 553441602 /nfs/dbraw/zinc/44/16/02/553441602.db2.gz MYRUXNAQWJJOSE-HHHXNRCGSA-N 0 0 514.586 3.534 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)cc1OC ZINC000013031137 553441562 /nfs/dbraw/zinc/44/15/62/553441562.db2.gz ZIKJRIHLPPVPCL-HHHXNRCGSA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)cc1OC ZINC000013031140 553441599 /nfs/dbraw/zinc/44/15/99/553441599.db2.gz ZIKJRIHLPPVPCL-MHZLTWQESA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccncc2)c(OC)c1 ZINC000013031155 553441606 /nfs/dbraw/zinc/44/16/06/553441606.db2.gz XZNCGUCVOYGHEU-HHHXNRCGSA-N 0 0 516.602 3.780 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccncc2)c(OC)c1 ZINC000013031158 553441616 /nfs/dbraw/zinc/44/16/16/553441616.db2.gz XZNCGUCVOYGHEU-MHZLTWQESA-N 0 0 516.602 3.780 40 0 KHABRN CC(C)CCNC(=O)[C@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013031326 553441688 /nfs/dbraw/zinc/44/16/88/553441688.db2.gz FWKQLEVJTRLGFP-SANMLTNESA-N 0 0 503.559 3.685 40 0 KHABRN CC(C)CCNC(=O)[C@@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013031330 553441693 /nfs/dbraw/zinc/44/16/93/553441693.db2.gz FWKQLEVJTRLGFP-AREMUKBSSA-N 0 0 503.559 3.685 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)c1 ZINC000013031405 553441680 /nfs/dbraw/zinc/44/16/80/553441680.db2.gz NRFJKWVVTLMGKP-RUZDIDTESA-N 0 0 503.559 3.748 40 0 KHABRN COC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)c1 ZINC000013031408 553441666 /nfs/dbraw/zinc/44/16/66/553441666.db2.gz NRFJKWVVTLMGKP-VWLOTQADSA-N 0 0 503.559 3.748 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000013031411 553441697 /nfs/dbraw/zinc/44/16/97/553441697.db2.gz XXIILWGTMVDWGW-SANMLTNESA-N 0 0 502.575 3.920 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1 ZINC000013031412 553441704 /nfs/dbraw/zinc/44/17/04/553441704.db2.gz XXIILWGTMVDWGW-AREMUKBSSA-N 0 0 502.575 3.920 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccco2)cc1OC ZINC000013031444 553441701 /nfs/dbraw/zinc/44/17/01/553441701.db2.gz YHCKPZMIDBMDSJ-AREMUKBSSA-N 0 0 505.575 3.978 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccco2)cc1OC ZINC000013031447 553441702 /nfs/dbraw/zinc/44/17/02/553441702.db2.gz YHCKPZMIDBMDSJ-SANMLTNESA-N 0 0 505.575 3.978 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013031844 553442005 /nfs/dbraw/zinc/44/20/05/553442005.db2.gz LLSHWIFQEZHRGP-SANMLTNESA-N 0 0 516.602 3.573 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013031847 553442062 /nfs/dbraw/zinc/44/20/62/553442062.db2.gz LLSHWIFQEZHRGP-AREMUKBSSA-N 0 0 516.602 3.573 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013031889 553442014 /nfs/dbraw/zinc/44/20/14/553442014.db2.gz MGOZOGYKARXVLP-VWLOTQADSA-N 0 0 516.602 3.636 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013031891 553442011 /nfs/dbraw/zinc/44/20/11/553442011.db2.gz MGOZOGYKARXVLP-RUZDIDTESA-N 0 0 516.602 3.636 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013031917 553441999 /nfs/dbraw/zinc/44/19/99/553441999.db2.gz SCTIYMHMTCWMRC-VWLOTQADSA-N 0 0 502.575 3.578 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013031920 553441994 /nfs/dbraw/zinc/44/19/94/553441994.db2.gz SCTIYMHMTCWMRC-RUZDIDTESA-N 0 0 502.575 3.578 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013031924 553442025 /nfs/dbraw/zinc/44/20/25/553442025.db2.gz WOHIFHZHKYNVMX-SANMLTNESA-N 0 0 516.602 3.620 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013031927 553442007 /nfs/dbraw/zinc/44/20/07/553442007.db2.gz WOHIFHZHKYNVMX-AREMUKBSSA-N 0 0 516.602 3.620 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)cc(OC)c1 ZINC000013031930 553442053 /nfs/dbraw/zinc/44/20/53/553442053.db2.gz JXKINKIPQDHBQD-SANMLTNESA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)cc(OC)c1 ZINC000013031933 553442023 /nfs/dbraw/zinc/44/20/23/553442023.db2.gz JXKINKIPQDHBQD-AREMUKBSSA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000013031936 553441998 /nfs/dbraw/zinc/44/19/98/553441998.db2.gz YZRBFFMCFOWADP-SANMLTNESA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000013031938 553442284 /nfs/dbraw/zinc/44/22/84/553442284.db2.gz YZRBFFMCFOWADP-AREMUKBSSA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)ccc1OC ZINC000013031952 553442221 /nfs/dbraw/zinc/44/22/21/553442221.db2.gz GUOFKZJAEAHLOO-SANMLTNESA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1cc(OC)ccc1OC ZINC000013031954 553442234 /nfs/dbraw/zinc/44/22/34/553442234.db2.gz GUOFKZJAEAHLOO-AREMUKBSSA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1OC ZINC000013031957 553442265 /nfs/dbraw/zinc/44/22/65/553442265.db2.gz RGKIGGMLVGZROO-SANMLTNESA-N 0 0 518.618 3.866 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013032263 553442391 /nfs/dbraw/zinc/44/23/91/553442391.db2.gz OHTWBUNBZMILMK-MHZLTWQESA-N 0 0 529.597 3.941 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013032265 553442394 /nfs/dbraw/zinc/44/23/94/553442394.db2.gz OHTWBUNBZMILMK-HHHXNRCGSA-N 0 0 529.597 3.941 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013032326 553442576 /nfs/dbraw/zinc/44/25/76/553442576.db2.gz FEDJOHICECXWPE-SANMLTNESA-N 0 0 515.570 3.945 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000013032328 553442551 /nfs/dbraw/zinc/44/25/51/553442551.db2.gz FEDJOHICECXWPE-AREMUKBSSA-N 0 0 515.570 3.945 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013032452 553442722 /nfs/dbraw/zinc/44/27/22/553442722.db2.gz UEAYLXOZEOGTCT-VWLOTQADSA-N 0 0 503.559 3.828 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21 ZINC000013032454 553442667 /nfs/dbraw/zinc/44/26/67/553442667.db2.gz UEAYLXOZEOGTCT-RUZDIDTESA-N 0 0 503.559 3.828 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(=O)OC)c1 ZINC000013032504 553442717 /nfs/dbraw/zinc/44/27/17/553442717.db2.gz LNHVOSKLAVJJBK-DEOSSOPVSA-N 0 0 503.559 3.890 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(=O)OC)c1 ZINC000013032506 553442733 /nfs/dbraw/zinc/44/27/33/553442733.db2.gz LNHVOSKLAVJJBK-XMMPIXPASA-N 0 0 503.559 3.890 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013032512 553442674 /nfs/dbraw/zinc/44/26/74/553442674.db2.gz GVHZKHBDOWCEFC-DEOSSOPVSA-N 0 0 503.559 3.890 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(=O)OC)cc1 ZINC000013032514 553442655 /nfs/dbraw/zinc/44/26/55/553442655.db2.gz GVHZKHBDOWCEFC-XMMPIXPASA-N 0 0 503.559 3.890 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013032532 553442690 /nfs/dbraw/zinc/44/26/90/553442690.db2.gz OPDJCVLZXMGEQG-VWLOTQADSA-N 0 0 503.559 3.875 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000013032534 553442707 /nfs/dbraw/zinc/44/27/07/553442707.db2.gz OPDJCVLZXMGEQG-RUZDIDTESA-N 0 0 503.559 3.875 40 0 KHABRN COc1ccc(Cn2nnnc2CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000013033587 553443092 /nfs/dbraw/zinc/44/30/92/553443092.db2.gz HIUNFIPKRGSMTB-UHFFFAOYSA-N 0 0 504.591 3.534 40 0 KHABRN CC[C@H](c1nnnn1CCOC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063997 553443795 /nfs/dbraw/zinc/44/37/95/553443795.db2.gz ZNAWYGZCPCFQLV-XMMPIXPASA-N 0 0 520.634 3.683 40 0 KHABRN CC[C@@H](c1nnnn1CCOC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013063998 553443622 /nfs/dbraw/zinc/44/36/22/553443622.db2.gz ZNAWYGZCPCFQLV-DEOSSOPVSA-N 0 0 520.634 3.683 40 0 KHABRN CC[C@H](c1nnnn1CCOC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064758 553444269 /nfs/dbraw/zinc/44/42/69/553444269.db2.gz KGRSMFABQPOJOO-RUZDIDTESA-N 0 0 534.661 3.991 40 0 KHABRN CC[C@@H](c1nnnn1CCOC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064759 553444332 /nfs/dbraw/zinc/44/43/32/553444332.db2.gz KGRSMFABQPOJOO-VWLOTQADSA-N 0 0 534.661 3.991 40 0 KHABRN CC[C@H](c1nnnn1CCOC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065296 553444564 /nfs/dbraw/zinc/44/45/64/553444564.db2.gz JSRCHLJGZZPRKD-XMMPIXPASA-N 0 0 534.661 3.991 40 0 KHABRN CC[C@@H](c1nnnn1CCOC)N(CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065297 553444572 /nfs/dbraw/zinc/44/45/72/553444572.db2.gz JSRCHLJGZZPRKD-DEOSSOPVSA-N 0 0 534.661 3.991 40 0 KHABRN COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)CC2)cc1OC ZINC000013083110 553445171 /nfs/dbraw/zinc/44/51/71/553445171.db2.gz PQKTUYCAUZQDER-UHFFFAOYSA-N 0 0 508.966 3.666 40 0 KHABRN CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(S(=O)(=O)c4ccccc4)CC2)[nH]c3=O)cc1 ZINC000013083134 553445147 /nfs/dbraw/zinc/44/51/47/553445147.db2.gz VTIFLMTZJKQSQU-UHFFFAOYSA-N 0 0 506.632 3.841 40 0 KHABRN COc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)CC2)cc1OC ZINC000013083176 553445212 /nfs/dbraw/zinc/44/52/12/553445212.db2.gz JSRJVNKEWRPKLP-UHFFFAOYSA-N 0 0 508.966 3.666 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000013083200 553445196 /nfs/dbraw/zinc/44/51/96/553445196.db2.gz NYZRKKOHACXEEX-UHFFFAOYSA-N 0 0 519.414 3.850 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000013083245 553445221 /nfs/dbraw/zinc/44/52/21/553445221.db2.gz OARPUEJRICVWKB-UHFFFAOYSA-N 0 0 518.521 3.562 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc2c1nnn2Cc1ccccc1 ZINC000013083247 553445176 /nfs/dbraw/zinc/44/51/76/553445176.db2.gz OLDMFENRMOGUAS-UHFFFAOYSA-N 0 0 518.521 3.562 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)nc2c1nnn2Cc1ccccc1 ZINC000013083259 553445125 /nfs/dbraw/zinc/44/51/25/553445125.db2.gz IGZODYCNLUPEHO-UHFFFAOYSA-N 0 0 500.584 3.697 40 0 KHABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)C2)cc1OC ZINC000013083312 553445206 /nfs/dbraw/zinc/44/52/06/553445206.db2.gz SJNBHKMIWWVVNV-QGZVFWFLSA-N 0 0 508.966 3.666 40 0 KHABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4cccc(Cl)c4)c(=O)[nH]3)C2)cc1OC ZINC000013083313 553445131 /nfs/dbraw/zinc/44/51/31/553445131.db2.gz SJNBHKMIWWVVNV-KRWDZBQOSA-N 0 0 508.966 3.666 40 0 KHABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)C2)cc1OC ZINC000013083545 553445246 /nfs/dbraw/zinc/44/52/46/553445246.db2.gz RDFKRFDIQRFROP-QGZVFWFLSA-N 0 0 508.966 3.666 40 0 KHABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4Cl)c(=O)[nH]3)C2)cc1OC ZINC000013083547 553445257 /nfs/dbraw/zinc/44/52/57/553445257.db2.gz RDFKRFDIQRFROP-KRWDZBQOSA-N 0 0 508.966 3.666 40 0 KHABRN O=C(COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)N=c1sccn1Cc1ccccc1Cl ZINC000013095521 553445786 /nfs/dbraw/zinc/44/57/86/553445786.db2.gz AUWCNOZSTVWFPE-GNVQSUKOSA-N 0 0 516.063 3.945 40 0 KHABRN COC(=O)c1ccccc1NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(C)cc1 ZINC000013097060 553446611 /nfs/dbraw/zinc/44/66/11/553446611.db2.gz XXTMTAMGGDDTDV-UHFFFAOYSA-N 0 0 513.579 3.918 40 0 KHABRN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013121229 553449389 /nfs/dbraw/zinc/44/93/89/553449389.db2.gz AHKGIAGIUOKOKS-ZNMIVQPWSA-N 0 0 502.434 3.998 40 0 KHABRN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013121231 553449396 /nfs/dbraw/zinc/44/93/96/553449396.db2.gz AHKGIAGIUOKOKS-RRFJBIMHSA-N 0 0 502.434 3.998 40 0 KHABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013150567 553456686 /nfs/dbraw/zinc/45/66/86/553456686.db2.gz CPIDYEKKPPSSIE-UHFFFAOYSA-N 0 0 506.534 3.714 40 0 KHABRN O=C(NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000013150696 553456718 /nfs/dbraw/zinc/45/67/18/553456718.db2.gz GLRNHRGZDORCQX-IBGZPJMESA-N 0 0 503.024 3.693 40 0 KHABRN O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000013150697 553456742 /nfs/dbraw/zinc/45/67/42/553456742.db2.gz GLRNHRGZDORCQX-LJQANCHMSA-N 0 0 503.024 3.693 40 0 KHABRN Cc1ccc2cc(CN(CCCN3CCOCC3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151180 553456693 /nfs/dbraw/zinc/45/66/93/553456693.db2.gz MAZRFTRAOANYNC-HHHXNRCGSA-N 0 0 533.677 3.694 40 0 KHABRN Cc1ccc2cc(CN(CCCN3CCOCC3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013151181 553456702 /nfs/dbraw/zinc/45/67/02/553456702.db2.gz MAZRFTRAOANYNC-MHZLTWQESA-N 0 0 533.677 3.694 40 0 KHABRN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(NS(=O)(=O)CC)cc3)o2)cc1OC ZINC000013151214 553456846 /nfs/dbraw/zinc/45/68/46/553456846.db2.gz VDHIXDCBGBYNEY-UHFFFAOYSA-N 0 0 504.590 3.830 40 0 KHABRN CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccccc2OC(F)F)c(=O)n1CC(=O)NCCC1=CCCCC1 ZINC000013163373 553457060 /nfs/dbraw/zinc/45/70/60/553457060.db2.gz OPHLHHMQYIHMKR-DNIYECPYSA-N 0 0 518.626 3.742 40 0 KHABRN CCOC(=O)/C(C(C)=O)=c1/s/c(=C/C=C2\Sc3ccc(-c4ccccc4)cc3N2C)c(=O)n1CC ZINC000013370485 553458775 /nfs/dbraw/zinc/45/87/75/553458775.db2.gz KPGDOHLOLJVOSU-OZHZIKJUSA-N 0 0 506.649 3.764 40 0 KHABRN CCOc1ccc(CN(C[C@@H]2CCCO2)[C@@H](c2nnnn2CCOC)c2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013454071 553459445 /nfs/dbraw/zinc/45/94/45/553459445.db2.gz YYFHRXQMFLLJFV-RPLLCQBOSA-N 0 0 532.645 3.639 40 0 KHABRN CCOc1ccc(CN(C[C@H]2CCCO2)[C@@H](c2nnnn2CCOC)c2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013454075 553459527 /nfs/dbraw/zinc/45/95/27/553459527.db2.gz YYFHRXQMFLLJFV-SHQCIBLASA-N 0 0 532.645 3.639 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013464724 553459724 /nfs/dbraw/zinc/45/97/24/553459724.db2.gz APKPZXCBQWOKOH-RBJSKKJNSA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013464727 553459699 /nfs/dbraw/zinc/45/96/99/553459699.db2.gz APKPZXCBQWOKOH-CUBQBAPOSA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013464729 553459722 /nfs/dbraw/zinc/45/97/22/553459722.db2.gz APKPZXCBQWOKOH-UFHPHHKVSA-N 0 0 515.589 3.944 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013464732 553459687 /nfs/dbraw/zinc/45/96/87/553459687.db2.gz APKPZXCBQWOKOH-YWEHKCAJSA-N 0 0 515.589 3.944 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)Cc3ccc(OC)cc3)cc2c1 ZINC000013494232 553459920 /nfs/dbraw/zinc/45/99/20/553459920.db2.gz LRFIRZDFSQTLGC-UHFFFAOYSA-N 0 0 500.559 3.766 40 0 KHABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CCc1ccccc1)Cc1ccc(F)cc1)OCO3 ZINC000013494251 553459901 /nfs/dbraw/zinc/45/99/01/553459901.db2.gz IOSXLSSPCPTWOE-UHFFFAOYSA-N 0 0 512.545 3.828 40 0 KHABRN COc1ccc(CN(Cc2nnnn2CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000013494256 553459887 /nfs/dbraw/zinc/45/98/87/553459887.db2.gz BHTXMKMWIOXNMN-UHFFFAOYSA-N 0 0 524.581 3.697 40 0 KHABRN COc1ccccc1CN(Cc1nnnn1CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494260 553459916 /nfs/dbraw/zinc/45/99/16/553459916.db2.gz RVTOXBYMPRKKML-UHFFFAOYSA-N 0 0 524.581 3.697 40 0 KHABRN Cc1cccc2cc(CN(Cc3nnnn3CCc3ccccc3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c12 ZINC000013494261 553459883 /nfs/dbraw/zinc/45/98/83/553459883.db2.gz LKHPTDPUSHAMDN-UHFFFAOYSA-N 0 0 508.582 3.997 40 0 KHABRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)Cc3ccc4c(c3)OCO4)cc2c1 ZINC000013494262 553459879 /nfs/dbraw/zinc/45/98/79/553459879.db2.gz XXMUZULAVPHQJQ-UHFFFAOYSA-N 0 0 508.582 3.997 40 0 KHABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1CCc1ccccc1)OCO3 ZINC000013494283 553460040 /nfs/dbraw/zinc/46/00/40/553460040.db2.gz FSLNPTOQAXYIPV-UHFFFAOYSA-N 0 0 500.584 3.750 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccco3)Cc3ccccc3OC)cc2c1 ZINC000013494308 553460067 /nfs/dbraw/zinc/46/00/67/553460067.db2.gz NBSWDMFZQMGVPO-UHFFFAOYSA-N 0 0 500.559 3.766 40 0 KHABRN COc1ccc(CCN(C(=O)c2cnsn2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1OC ZINC000013494376 553460060 /nfs/dbraw/zinc/46/00/60/553460060.db2.gz RRUVPZSUCKOOGA-XMMPIXPASA-N 0 0 509.632 3.825 40 0 KHABRN COc1ccc(CCN(C(=O)c2cnsn2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1OC ZINC000013494377 553460049 /nfs/dbraw/zinc/46/00/49/553460049.db2.gz RRUVPZSUCKOOGA-DEOSSOPVSA-N 0 0 509.632 3.825 40 0 KHABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494740 1066292223 /nfs/dbraw/zinc/29/22/23/1066292223.db2.gz SQBKNIPVEBGCMJ-XMMPIXPASA-N 0 0 504.591 3.630 40 0 KHABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccc(C)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494867 1066292581 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/nfs/dbraw/zinc/46/16/52/553461652.db2.gz BRNWREJUEGHKPD-XMMPIXPASA-N 0 0 504.591 3.548 40 0 KHABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495161 553461646 /nfs/dbraw/zinc/46/16/46/553461646.db2.gz BRNWREJUEGHKPD-DEOSSOPVSA-N 0 0 504.591 3.548 40 0 KHABRN CCOC(=O)Cn1nnnc1[C@@H](CC)N(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495183 1066292567 /nfs/dbraw/zinc/29/25/67/1066292567.db2.gz JLNREFRZGXGCQF-XMMPIXPASA-N 0 0 518.618 3.857 40 0 KHABRN CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495238 553461965 /nfs/dbraw/zinc/46/19/65/553461965.db2.gz TXBHXBZIMGWNHJ-LADGPHEKSA-N 0 0 516.602 3.884 40 0 KHABRN CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495241 553461977 /nfs/dbraw/zinc/46/19/77/553461977.db2.gz TXBHXBZIMGWNHJ-UPVQGACJSA-N 0 0 516.602 3.884 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495342 553462161 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COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)NC(C)C ZINC000013680430 553484196 /nfs/dbraw/zinc/48/41/96/553484196.db2.gz CGQBLUMYOYTAQY-UHFFFAOYSA-N 0 0 517.629 3.743 40 0 KHABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680671 553484359 /nfs/dbraw/zinc/48/43/59/553484359.db2.gz XRNWGKBZKZYMOK-DEOSSOPVSA-N 0 0 507.612 3.951 40 0 KHABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013680674 553484392 /nfs/dbraw/zinc/48/43/92/553484392.db2.gz XRNWGKBZKZYMOK-XMMPIXPASA-N 0 0 507.612 3.951 40 0 KHABRN O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@@H]2C=Cc3cc(Br)ccc3N12 ZINC000013681089 553484402 /nfs/dbraw/zinc/48/44/02/553484402.db2.gz RAHSECQGGUPZRL-LKZJFHPWSA-N 0 0 507.384 3.696 40 0 KHABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O ZINC000013681378 553484399 /nfs/dbraw/zinc/48/43/99/553484399.db2.gz DBVPJISHEAKFOJ-IBGZPJMESA-N 0 0 508.040 3.742 40 0 KHABRN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O ZINC000013681381 553484391 /nfs/dbraw/zinc/48/43/91/553484391.db2.gz DBVPJISHEAKFOJ-LJQANCHMSA-N 0 0 508.040 3.742 40 0 KHABRN Cc1cccc(N(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)S(C)(=O)=O)c1 ZINC000013681599 553484572 /nfs/dbraw/zinc/48/45/72/553484572.db2.gz BHRZPIOOGDHVDK-UHFFFAOYSA-N 0 0 521.639 3.648 40 0 KHABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681655 553484569 /nfs/dbraw/zinc/48/45/69/553484569.db2.gz FTXSUTSTLSIISZ-VWLOTQADSA-N 0 0 507.612 3.953 40 0 KHABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681658 553484617 /nfs/dbraw/zinc/48/46/17/553484617.db2.gz FTXSUTSTLSIISZ-RUZDIDTESA-N 0 0 507.612 3.953 40 0 KHABRN Cc1c(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013681680 553484612 /nfs/dbraw/zinc/48/46/12/553484612.db2.gz NIFPPIASTJBKTL-UHFFFAOYSA-N 0 0 508.575 3.842 40 0 KHABRN Cc1c(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013681788 553484566 /nfs/dbraw/zinc/48/45/66/553484566.db2.gz PRCRSQNAWDESHG-UHFFFAOYSA-N 0 0 508.575 3.842 40 0 KHABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681829 553484604 /nfs/dbraw/zinc/48/46/04/553484604.db2.gz OPBXTVIZCGUUJL-VWLOTQADSA-N 0 0 507.612 3.905 40 0 KHABRN CCN(CC)C(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013681832 553484559 /nfs/dbraw/zinc/48/45/59/553484559.db2.gz OPBXTVIZCGUUJL-RUZDIDTESA-N 0 0 507.612 3.905 40 0 KHABRN Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000013682266 553484738 /nfs/dbraw/zinc/48/47/38/553484738.db2.gz XHFFQZIKNZJBJU-QGZVFWFLSA-N 0 0 501.008 3.767 40 0 KHABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(C)(=O)=O ZINC000013682269 553484682 /nfs/dbraw/zinc/48/46/82/553484682.db2.gz XHFFQZIKNZJBJU-KRWDZBQOSA-N 0 0 501.008 3.767 40 0 KHABRN COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000013683519 553484982 /nfs/dbraw/zinc/48/49/82/553484982.db2.gz FYUSFEAFXVUALL-QGZVFWFLSA-N 0 0 515.459 3.911 40 0 KHABRN COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1OC ZINC000013683523 553484971 /nfs/dbraw/zinc/48/49/71/553484971.db2.gz FYUSFEAFXVUALL-KRWDZBQOSA-N 0 0 515.459 3.911 40 0 KHABRN O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013685039 553485107 /nfs/dbraw/zinc/48/51/07/553485107.db2.gz DIYIBASHYWEKOI-UHFFFAOYSA-N 0 0 501.992 3.902 40 0 KHABRN O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013685067 553485153 /nfs/dbraw/zinc/48/51/53/553485153.db2.gz QHQYXDNVQKNCES-UHFFFAOYSA-N 0 0 513.019 3.704 40 0 KHABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013686051 553485298 /nfs/dbraw/zinc/48/52/98/553485298.db2.gz PNVIELYFSNWESR-JOCHJYFZSA-N 0 0 501.008 3.848 40 0 KHABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013686056 553485282 /nfs/dbraw/zinc/48/52/82/553485282.db2.gz PNVIELYFSNWESR-QFIPXVFZSA-N 0 0 501.008 3.848 40 0 KHABRN CC[C@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686341 553485310 /nfs/dbraw/zinc/48/53/10/553485310.db2.gz PNIQBSDOULYEED-JOCHJYFZSA-N 0 0 501.008 3.848 40 0 KHABRN CC[C@@H](C(=O)Nc1ccccc1C(=O)NCc1cccnc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013686345 553485361 /nfs/dbraw/zinc/48/53/61/553485361.db2.gz PNIQBSDOULYEED-QFIPXVFZSA-N 0 0 501.008 3.848 40 0 KHABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000013686875 553485517 /nfs/dbraw/zinc/48/55/17/553485517.db2.gz NKYFMMVXODBKNW-UHFFFAOYSA-N 0 0 515.566 3.691 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013688474 553485524 /nfs/dbraw/zinc/48/55/24/553485524.db2.gz CACMORIUPYPENW-UHFFFAOYSA-N 0 0 526.080 3.554 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712313 553486013 /nfs/dbraw/zinc/48/60/13/553486013.db2.gz DAKWLJXCDZMQGQ-OAQYLSRUSA-N 0 0 514.069 3.698 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712316 553485952 /nfs/dbraw/zinc/48/59/52/553485952.db2.gz DAKWLJXCDZMQGQ-NRFANRHFSA-N 0 0 514.069 3.698 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712674 553486107 /nfs/dbraw/zinc/48/61/07/553486107.db2.gz HEJPLRGMQZGCQL-HXUWFJFHSA-N 0 0 502.058 3.554 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712676 553486129 /nfs/dbraw/zinc/48/61/29/553486129.db2.gz HEJPLRGMQZGCQL-FQEVSTJZSA-N 0 0 502.058 3.554 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713773 553486338 /nfs/dbraw/zinc/48/63/38/553486338.db2.gz WTMMVJRKAGIISV-HSZRJFAPSA-N 0 0 507.678 3.743 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713775 553486330 /nfs/dbraw/zinc/48/63/30/553486330.db2.gz WTMMVJRKAGIISV-QHCPKHFHSA-N 0 0 507.678 3.743 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714474 553486340 /nfs/dbraw/zinc/48/63/40/553486340.db2.gz HYEXAMOAWCYGOQ-OAQYLSRUSA-N 0 0 514.069 3.698 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714476 553486345 /nfs/dbraw/zinc/48/63/45/553486345.db2.gz HYEXAMOAWCYGOQ-NRFANRHFSA-N 0 0 514.069 3.698 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714833 553486483 /nfs/dbraw/zinc/48/64/83/553486483.db2.gz PJVMYHGBETUYEQ-HXUWFJFHSA-N 0 0 502.058 3.554 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714836 553486501 /nfs/dbraw/zinc/48/65/01/553486501.db2.gz PJVMYHGBETUYEQ-FQEVSTJZSA-N 0 0 502.058 3.554 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715802 553486460 /nfs/dbraw/zinc/48/64/60/553486460.db2.gz VWKXAUOGBQFZCQ-JOCHJYFZSA-N 0 0 511.641 3.574 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715804 553486424 /nfs/dbraw/zinc/48/64/24/553486424.db2.gz VWKXAUOGBQFZCQ-QFIPXVFZSA-N 0 0 511.641 3.574 40 0 KHABRN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716391 553486439 /nfs/dbraw/zinc/48/64/39/553486439.db2.gz SCCAHISNVCBYCE-HSZRJFAPSA-N 0 0 507.678 3.661 40 0 KHABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716393 553486441 /nfs/dbraw/zinc/48/64/41/553486441.db2.gz SCCAHISNVCBYCE-QHCPKHFHSA-N 0 0 507.678 3.661 40 0 KHABRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013740974 553487311 /nfs/dbraw/zinc/48/73/11/553487311.db2.gz PWIPORDFWDZCJG-MUUNZHRXSA-N 0 0 506.507 3.848 40 0 in-vitro KHABRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013740975 553487276 /nfs/dbraw/zinc/48/72/76/553487276.db2.gz PWIPORDFWDZCJG-NDEPHWFRSA-N 0 0 506.507 3.848 40 0 in-vitro KHABRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(=O)c4ccnn4C)cc3)[C@@H]2C1=O ZINC000013787563 553490751 /nfs/dbraw/zinc/49/07/51/553490751.db2.gz MEHWUOBAAVYLLW-GSDHBNRESA-N 0 0 508.534 3.999 40 0 KHABRN CCOc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(F)cc2)CN=3)c(Br)cc1OC(C)C ZINC000013914120 553495429 /nfs/dbraw/zinc/49/54/29/553495429.db2.gz ZJANKVZQAPYHHI-FBHDLOMBSA-N 0 0 520.424 3.881 40 0 KHABRN CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)sc2c1CCCC2 ZINC000014020973 553499552 /nfs/dbraw/zinc/49/95/52/553499552.db2.gz SIMGKTYKUNYRSB-MRXNPFEDSA-N 0 0 506.646 3.852 40 0 KHABRN CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)sc2c1CCCC2 ZINC000014020976 553499553 /nfs/dbraw/zinc/49/95/53/553499553.db2.gz SIMGKTYKUNYRSB-INIZCTEOSA-N 0 0 506.646 3.852 40 0 KHABRN COc1ccc(CCNC(=O)CSc2nnc3n2c2ccccc2c(=O)n3-c2cccc(OC)c2)cc1 ZINC000014092974 553500764 /nfs/dbraw/zinc/50/07/64/553500764.db2.gz QYYYLGRBQNHHOR-UHFFFAOYSA-N 0 0 515.595 3.502 40 0 KHABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2 ZINC000014135551 553502869 /nfs/dbraw/zinc/50/28/69/553502869.db2.gz ZGYRKWXHXJVDGK-UHFFFAOYSA-N 0 0 517.401 3.685 40 0 KHABRN COc1ccccc1CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000014135558 553502889 /nfs/dbraw/zinc/50/28/89/553502889.db2.gz TXDLNDZKOKAHEJ-UHFFFAOYSA-N 0 0 503.418 3.965 40 0 KHABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000014153296 553503242 /nfs/dbraw/zinc/50/32/42/553503242.db2.gz BXKOECQQYXJZDC-LJQANCHMSA-N 0 0 501.630 3.897 40 0 KHABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000014153298 553503220 /nfs/dbraw/zinc/50/32/20/553503220.db2.gz BXKOECQQYXJZDC-IBGZPJMESA-N 0 0 501.630 3.897 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000014153340 553503258 /nfs/dbraw/zinc/50/32/58/553503258.db2.gz SBDHTGDBTGTKSU-GOSISDBHSA-N 0 0 517.629 3.598 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000014153342 553503231 /nfs/dbraw/zinc/50/32/31/553503231.db2.gz SBDHTGDBTGTKSU-SFHVURJKSA-N 0 0 517.629 3.598 40 0 KHABRN COC(=O)c1c(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000014153486 553503463 /nfs/dbraw/zinc/50/34/63/553503463.db2.gz CJYQGWNZZXXMRL-UHFFFAOYSA-N 0 0 515.451 3.889 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000014153838 553503829 /nfs/dbraw/zinc/50/38/29/553503829.db2.gz AZSCZVRZLLESAO-LJQANCHMSA-N 0 0 501.630 3.897 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000014153840 553503810 /nfs/dbraw/zinc/50/38/10/553503810.db2.gz AZSCZVRZLLESAO-IBGZPJMESA-N 0 0 501.630 3.897 40 0 KHABRN CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000014154103 553504018 /nfs/dbraw/zinc/50/40/18/553504018.db2.gz XVVQILGSDZSYIG-UHFFFAOYSA-N 0 0 514.431 3.798 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000014154736 553504547 /nfs/dbraw/zinc/50/45/47/553504547.db2.gz BLMGAUAXEDOIND-LJQANCHMSA-N 0 0 501.630 3.897 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000014154738 553504600 /nfs/dbraw/zinc/50/46/00/553504600.db2.gz BLMGAUAXEDOIND-IBGZPJMESA-N 0 0 501.630 3.897 40 0 KHABRN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014154968 553504723 /nfs/dbraw/zinc/50/47/23/553504723.db2.gz KYQZNAOUQGKQPT-MHZLTWQESA-N 0 0 505.596 3.741 40 0 KHABRN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000014154971 553504822 /nfs/dbraw/zinc/50/48/22/553504822.db2.gz KYQZNAOUQGKQPT-HHHXNRCGSA-N 0 0 505.596 3.741 40 0 KHABRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155159 553504971 /nfs/dbraw/zinc/50/49/71/553504971.db2.gz YSYPFXVVXNVRDH-MRXNPFEDSA-N 0 0 508.021 3.934 40 0 KHABRN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155161 553504894 /nfs/dbraw/zinc/50/48/94/553504894.db2.gz YSYPFXVVXNVRDH-INIZCTEOSA-N 0 0 508.021 3.934 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000014155913 553505530 /nfs/dbraw/zinc/50/55/30/553505530.db2.gz FALLALKDBKLTBJ-UHFFFAOYSA-N 0 0 515.582 3.908 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000014186337 553506097 /nfs/dbraw/zinc/50/60/97/553506097.db2.gz PYXKWXPDDQEIGB-INJUALFYSA-N 0 0 509.603 3.767 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCC(C)CC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000014186339 553506132 /nfs/dbraw/zinc/50/61/32/553506132.db2.gz PYXKWXPDDQEIGB-VOZFUJEASA-N 0 0 509.603 3.767 40 0 KHABRN 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CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCc3ccncc3)C2=S)cc1 ZINC000015321337 553532230 /nfs/dbraw/zinc/53/22/30/553532230.db2.gz KHTRMDKOQAYYBA-QHCPKHFHSA-N 0 0 502.596 3.832 40 0 KHABRN CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(=O)c5ccc(F)cc5)cc4)CC3)C2=O)cc1 ZINC000015321408 553532258 /nfs/dbraw/zinc/53/22/58/553532258.db2.gz ZORDMEKEADGIFD-SANMLTNESA-N 0 0 501.558 3.910 40 0 KHABRN COc1cccc(NC(=O)N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCc4c(C)noc4C)cc3)C2)c1 ZINC000015672102 1066880804 /nfs/dbraw/zinc/88/08/04/1066880804.db2.gz HIDSQGMDAXSDAN-JWQCQUIFSA-N 0 0 508.575 3.666 40 0 biogenic,in-vitro KHABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000015676452 553534088 /nfs/dbraw/zinc/53/40/88/553534088.db2.gz SGAQPDHPSHYFEM-IBGZPJMESA-N 0 0 513.925 3.892 40 0 biogenic,in-vitro KHABRN CCOC(=O)c1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015707352 553534721 /nfs/dbraw/zinc/53/47/21/553534721.db2.gz LWKULLCKXQIRPX-IBGZPJMESA-N 0 0 502.487 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553555747 /nfs/dbraw/zinc/55/57/47/553555747.db2.gz YROWXVPXDUOFKG-UHFFFAOYSA-N 0 0 507.612 3.555 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016187568 553555926 /nfs/dbraw/zinc/55/59/26/553555926.db2.gz PVVAOICRWZFRMW-UHFFFAOYSA-N 0 0 528.074 3.903 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000016187572 553555998 /nfs/dbraw/zinc/55/59/98/553555998.db2.gz DORKSWFDMFFVNW-UHFFFAOYSA-N 0 0 528.074 3.903 40 0 KHABRN CN(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016187644 553556068 /nfs/dbraw/zinc/55/60/68/553556068.db2.gz LOYIFUGLFNRAAV-UHFFFAOYSA-N 0 0 510.365 3.982 40 0 KHABRN COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000016188265 553556121 /nfs/dbraw/zinc/55/61/21/553556121.db2.gz AZEKJXRVKCKJOS-UHFFFAOYSA-N 0 0 502.976 3.847 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000016188270 553556116 /nfs/dbraw/zinc/55/61/16/553556116.db2.gz GIZXCWHJOQMJHZ-UHFFFAOYSA-N 0 0 502.976 3.847 40 0 KHABRN COc1cc(CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)ccc1OCC(N)=O ZINC000016196142 553556632 /nfs/dbraw/zinc/55/66/32/553556632.db2.gz UVXJEVMYOXJCKE-UHFFFAOYSA-N 0 0 511.438 3.845 40 0 KHABRN Cc1c(N(C)S(=O)(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000016249127 553557684 /nfs/dbraw/zinc/55/76/84/553557684.db2.gz DVCUNWMMXDNBOX-UHFFFAOYSA-N 0 0 516.623 3.508 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)n(-c4ccccc4)n(C)c3=O)cc2)cc1 ZINC000016249176 553557691 /nfs/dbraw/zinc/55/76/91/553557691.db2.gz IVTLGGBZUBHEBA-UHFFFAOYSA-N 0 0 506.584 3.570 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000016283001 553558488 /nfs/dbraw/zinc/55/84/88/553558488.db2.gz HHTJZWYRUBYWIW-UHFFFAOYSA-N 0 0 507.656 3.558 40 0 KHABRN COc1ccc(OC)c2c(C)cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)nc12 ZINC000016284024 553558459 /nfs/dbraw/zinc/55/84/59/553558459.db2.gz RGYNTMNCKSKJDS-UHFFFAOYSA-N 0 0 506.422 3.834 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000016284797 553558641 /nfs/dbraw/zinc/55/86/41/553558641.db2.gz XJOWOVSPZIVPSA-UHFFFAOYSA-N 0 0 507.612 3.610 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000016293392 553559406 /nfs/dbraw/zinc/55/94/06/553559406.db2.gz MECALWZQICTNNF-UHFFFAOYSA-N 0 0 514.556 3.617 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cc(C)cc(C)c2)cc1 ZINC000016309916 553559609 /nfs/dbraw/zinc/55/96/09/553559609.db2.gz UGOHRVPNZBBNEU-UHFFFAOYSA-N 0 0 521.639 3.918 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cc(C)ccc2C)cc1 ZINC000016309920 553559634 /nfs/dbraw/zinc/55/96/34/553559634.db2.gz MESLWSKGPBYFRE-UHFFFAOYSA-N 0 0 521.639 3.918 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(C)c(C)c2)cc1 ZINC000016309923 553559632 /nfs/dbraw/zinc/55/96/32/553559632.db2.gz YVHHAAUXVDSUSC-UHFFFAOYSA-N 0 0 521.639 3.918 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(C)cc2C)cc1 ZINC000016309931 553559568 /nfs/dbraw/zinc/55/95/68/553559568.db2.gz XSPJLWQMFJRUJG-UHFFFAOYSA-N 0 0 521.639 3.918 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)cc1C ZINC000016312033 553559977 /nfs/dbraw/zinc/55/99/77/553559977.db2.gz QDLYOGNVFHJUMY-UHFFFAOYSA-N 0 0 507.612 3.610 40 0 KHABRN COc1ccc(Br)cc1C=CC(=O)NC(=S)Nc1ccc(NC(=S)NC(C)=O)cc1 ZINC000016320848 553560122 /nfs/dbraw/zinc/56/01/22/553560122.db2.gz MPAVCYFXMKOFQI-XCVCLJGOSA-N 0 0 507.435 3.817 40 0 KHABRN Cc1ccc(NC(=O)NC[C@@H]2COc3ccccc3O2)cc1NC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016347485 553560868 /nfs/dbraw/zinc/56/08/68/553560868.db2.gz FPAKYAOSUVZRNQ-WOJBJXKFSA-N 0 0 504.543 3.918 40 0 KHABRN Cc1ccc(NC(=O)NC[C@H]2COc3ccccc3O2)cc1NC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016347488 553560897 /nfs/dbraw/zinc/56/08/97/553560897.db2.gz FPAKYAOSUVZRNQ-VQTJNVASSA-N 0 0 504.543 3.918 40 0 KHABRN Cc1ccc(NC(=O)NC[C@@H]2COc3ccccc3O2)cc1NC(=O)NC[C@H]1COc2ccccc2O1 ZINC000016347491 553560851 /nfs/dbraw/zinc/56/08/51/553560851.db2.gz FPAKYAOSUVZRNQ-UXHICEINSA-N 0 0 504.543 3.918 40 0 KHABRN Cc1ccc(NC(=O)NC[C@H]2COc3ccccc3O2)cc1NC(=O)NC[C@H]1COc2ccccc2O1 ZINC000016347493 553560854 /nfs/dbraw/zinc/56/08/54/553560854.db2.gz FPAKYAOSUVZRNQ-PMACEKPBSA-N 0 0 504.543 3.918 40 0 KHABRN Cc1c(C2(c3c(C)n(C)n(-c4ccccc4)c3=O)c3cc(C)ccc3NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000016348171 553560894 /nfs/dbraw/zinc/56/08/94/553560894.db2.gz NKTOTKCVEPFLTJ-UHFFFAOYSA-N 0 0 519.605 3.877 40 0 KHABRN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1C ZINC000016349967 553560935 /nfs/dbraw/zinc/56/09/35/553560935.db2.gz OWORTBLFNXMJAV-UHFFFAOYSA-N 0 0 507.612 3.610 40 0 KHABRN NC(=O)c1c(NC(=S)NC(=O)c2cc(I)ccc2Cl)sc2c1CCC2 ZINC000016385304 553561896 /nfs/dbraw/zinc/56/18/96/553561896.db2.gz SJYFIULSWIHMBA-UHFFFAOYSA-N 0 0 505.790 3.721 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016399291 553562419 /nfs/dbraw/zinc/56/24/19/553562419.db2.gz GOAWMGVZLUSMIU-UHFFFAOYSA-N 0 0 511.566 3.608 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016399295 553562463 /nfs/dbraw/zinc/56/24/63/553562463.db2.gz CIHDPQNJNILBMJ-UHFFFAOYSA-N 0 0 511.566 3.654 40 0 KHABRN O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(I)cc1 ZINC000016400874 553562681 /nfs/dbraw/zinc/56/26/81/553562681.db2.gz BAISUJLOMUWNPJ-UHFFFAOYSA-N 0 0 501.777 3.908 40 0 KHABRN O=C1OC(c2ccc(C3=N/C(=C\c4ccc5c(c4)OCO5)C(=O)O3)cc2)=N/C1=C\c1ccc2c(c1)OCO2 ZINC000016401216 553562795 /nfs/dbraw/zinc/56/27/95/553562795.db2.gz HXIRAHYDMXYRJO-QJUDHZBZSA-N 0 0 508.442 3.833 40 0 KHABRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc(I)ccc1Cl ZINC000016401479 553562782 /nfs/dbraw/zinc/56/27/82/553562782.db2.gz OJEVPWTYWYTSDV-UHFFFAOYSA-N 0 0 515.804 3.904 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016476943 553565693 /nfs/dbraw/zinc/56/56/93/553565693.db2.gz UMPRHJRINGHORX-UHFFFAOYSA-N 0 0 514.987 3.609 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016477749 553565811 /nfs/dbraw/zinc/56/58/11/553565811.db2.gz OAPHVURVNHWLDX-UHFFFAOYSA-N 0 0 519.667 3.784 40 0 KHABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000016479086 553565804 /nfs/dbraw/zinc/56/58/04/553565804.db2.gz HXVHYQYFENSPHD-XNTDXEJSSA-N 0 0 503.668 3.778 40 0 KHABRN O=C(CCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016490851 553566429 /nfs/dbraw/zinc/56/64/29/553566429.db2.gz FOVPPJRJWYCXOS-UHFFFAOYSA-N 0 0 509.584 3.857 40 0 KHABRN O=S(=O)(CCCCCCCCCCCCS(=O)(=O)NCc1ccccn1)NCc1ccccn1 ZINC000016545937 553567693 /nfs/dbraw/zinc/56/76/93/553567693.db2.gz BQFUVQHGMJOMJG-UHFFFAOYSA-N 0 0 510.726 3.917 40 0 KHABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1Br ZINC000016574920 553568251 /nfs/dbraw/zinc/56/82/51/553568251.db2.gz IRYMTCQCQFUANI-UHFFFAOYSA-N 0 0 519.465 3.889 40 0 KHABRN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2c1cccc2S(=O)(=O)N1CCOCC1 ZINC000016574990 553568325 /nfs/dbraw/zinc/56/83/25/553568325.db2.gz UJKCHVRTSUGFKD-RUZDIDTESA-N 0 0 525.627 3.750 40 0 KHABRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2c1cccc2S(=O)(=O)N1CCOCC1 ZINC000016574992 553568322 /nfs/dbraw/zinc/56/83/22/553568322.db2.gz UJKCHVRTSUGFKD-VWLOTQADSA-N 0 0 525.627 3.750 40 0 KHABRN COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NC(C)C ZINC000016575472 553568329 /nfs/dbraw/zinc/56/83/29/553568329.db2.gz JSAOUGSSBAISDC-UHFFFAOYSA-N 0 0 507.656 3.929 40 0 KHABRN CCCCCCOCCOCCOCCOCC(O)COCCOCCOCCOCCCCCC ZINC000016638248 553570515 /nfs/dbraw/zinc/57/05/15/553570515.db2.gz QNWMQWRZRLKDKV-UHFFFAOYSA-N 0 0 524.736 3.641 40 0 KHABRN CCN(CC(=O)N1CCN(c2cc(Cl)ccc2C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000016678291 553571711 /nfs/dbraw/zinc/57/17/11/553571711.db2.gz MPMJPKLRCMTLDT-UHFFFAOYSA-N 0 0 514.873 3.770 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000016678312 553571678 /nfs/dbraw/zinc/57/16/78/553571678.db2.gz MUKOAWRCZUAFOR-UHFFFAOYSA-N 0 0 513.582 3.772 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000016678323 553571917 /nfs/dbraw/zinc/57/19/17/553571917.db2.gz FVLFKKFEFFWIKL-UHFFFAOYSA-N 0 0 500.448 3.752 40 0 KHABRN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000016681924 553572088 /nfs/dbraw/zinc/57/20/88/553572088.db2.gz GGUBOHXJUXIIGJ-UHFFFAOYSA-N 0 0 506.378 3.697 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000016682404 553572337 /nfs/dbraw/zinc/57/23/37/553572337.db2.gz VKYYINKLPBAFGQ-FJWZAKCXSA-N 0 0 513.015 3.945 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000016682405 553572381 /nfs/dbraw/zinc/57/23/81/553572381.db2.gz VKYYINKLPBAFGQ-RQLGBQGVSA-N 0 0 513.015 3.945 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000016682444 553572559 /nfs/dbraw/zinc/57/25/59/553572559.db2.gz IPIXRINQXDKFAL-AQIZGWBQSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000016682445 553572534 /nfs/dbraw/zinc/57/25/34/553572534.db2.gz IPIXRINQXDKFAL-ZDGAQAAHSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000016691554 553573564 /nfs/dbraw/zinc/57/35/64/553573564.db2.gz GGRCHJMHKKFEJV-CUPKDKKMSA-N 0 0 500.576 3.927 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000016691555 553573559 /nfs/dbraw/zinc/57/35/59/553573559.db2.gz GGRCHJMHKKFEJV-MSMNXAATSA-N 0 0 500.576 3.927 40 0 KHABRN CCOc1ccc(N(CC(=O)NC[C@@H](O)c2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000016691624 553573566 /nfs/dbraw/zinc/57/35/66/553573566.db2.gz CAVBPUXQYZOTSL-XMMPIXPASA-N 0 0 500.642 3.852 40 0 KHABRN CCOc1ccc(N(CC(=O)NC[C@H](O)c2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000016691626 553573553 /nfs/dbraw/zinc/57/35/53/553573553.db2.gz CAVBPUXQYZOTSL-DEOSSOPVSA-N 0 0 500.642 3.852 40 0 KHABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1Br ZINC000016692141 553573775 /nfs/dbraw/zinc/57/37/75/553573775.db2.gz XZOVLSJBAYRQBH-UHFFFAOYSA-N 0 0 506.163 3.974 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl ZINC000016692426 553573767 /nfs/dbraw/zinc/57/37/67/553573767.db2.gz PDNQZGHRMQVJQU-UHFFFAOYSA-N 0 0 500.448 3.670 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Cl ZINC000016692435 553573769 /nfs/dbraw/zinc/57/37/69/553573769.db2.gz OXQDFNBMKJGKBC-UHFFFAOYSA-N 0 0 519.973 3.727 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(I)cc2)cc1Cl ZINC000016692661 553573781 /nfs/dbraw/zinc/57/37/81/553573781.db2.gz DIOHNJJSDOYUNI-UHFFFAOYSA-N 0 0 508.765 3.603 40 0 KHABRN NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016737643 553579225 /nfs/dbraw/zinc/57/92/25/553579225.db2.gz XMTWFOIVONSRTR-FQEVSTJZSA-N 0 0 516.000 3.664 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000016740698 553579380 /nfs/dbraw/zinc/57/93/80/553579380.db2.gz FYKAXCVEYZTAMO-UBXANZILSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000016740699 553579389 /nfs/dbraw/zinc/57/93/89/553579389.db2.gz FYKAXCVEYZTAMO-YMFQVDJJSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000016740727 553579590 /nfs/dbraw/zinc/57/95/90/553579590.db2.gz SXKHRUCRICEQJK-PRWBYUBPSA-N 0 0 518.513 3.547 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(F)F)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000016740728 553579621 /nfs/dbraw/zinc/57/96/21/553579621.db2.gz SXKHRUCRICEQJK-SRKIZSPNSA-N 0 0 518.513 3.547 40 0 KHABRN COc1cc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2N)cc(OC)c1OC ZINC000016756131 553581282 /nfs/dbraw/zinc/58/12/82/553581282.db2.gz AFTKDNOTNHMARJ-UHFFFAOYSA-N 0 0 521.599 3.995 40 0 KHABRN COc1ccc(OC)c(NC(=O)Cn2nc(Cn3nnc4ccccc43)n(-c3ccccc3)c2=S)c1 ZINC000016769500 553581647 /nfs/dbraw/zinc/58/16/47/553581647.db2.gz DEQKGNNDMVNUSX-UHFFFAOYSA-N 0 0 501.572 3.852 40 0 KHABRN NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 ZINC000016789205 553582370 /nfs/dbraw/zinc/58/23/70/553582370.db2.gz YPGDXJHZXOAGAS-UHFFFAOYSA-N 0 0 503.993 3.618 40 0 KHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000016806191 553583197 /nfs/dbraw/zinc/58/31/97/553583197.db2.gz LSKOVUQFPQZCOW-HDMKZQKVSA-N 0 0 508.637 3.725 40 0 KHABRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C)C2 ZINC000016806195 553583208 /nfs/dbraw/zinc/58/32/08/553583208.db2.gz LSKOVUQFPQZCOW-IIDMSEBBSA-N 0 0 508.637 3.725 40 0 KHABRN C[C@@H](OC(=O)OCCOCCOC(=O)O[C@@H](C)C(=O)OC1CCCCC1)C(=O)OC1CCCCC1 ZINC000016889910 553583643 /nfs/dbraw/zinc/58/36/43/553583643.db2.gz LTNDYKKWIHPGLZ-HDICACEKSA-N 0 0 502.557 3.838 40 0 KHABRN O=S(=O)(c1ccc(Cl)cc1)N(c1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017043971 553587363 /nfs/dbraw/zinc/58/73/63/553587363.db2.gz XKAJFURJHWBBRM-UHFFFAOYSA-N 0 0 510.384 3.553 40 0 KHABRN CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)C(C)=CC2[C@@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@H]21 ZINC000017245790 553591485 /nfs/dbraw/zinc/59/14/85/553591485.db2.gz GZPLGBMBZBCHRF-FDAJIIHZSA-N 0 0 514.578 3.991 40 0 KHABRN CCOc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)C(C)=CC2[C@H]2C(=O)N(c3ccccc3OCC)C(=O)[C@@H]21 ZINC000017245796 553591481 /nfs/dbraw/zinc/59/14/81/553591481.db2.gz GZPLGBMBZBCHRF-JEXVVCLHSA-N 0 0 514.578 3.991 40 0 KHABRN CCOCC(=O)N[C@@H]1CCc2cc(OC(=O)COCC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 ZINC000017249129 553591887 /nfs/dbraw/zinc/59/18/87/553591887.db2.gz NGSBHZFTKFWKBZ-LJQANCHMSA-N 0 0 531.627 3.535 40 0 KHABRN COC(=O)C1(NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)CCCCCC1 ZINC000017254280 553591714 /nfs/dbraw/zinc/59/17/14/553591714.db2.gz MXPRDGMULCNPOW-QHCPKHFHSA-N 0 0 510.587 3.797 40 0 KHABRN COc1cc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc(OC)c1OC ZINC000017297252 553592325 /nfs/dbraw/zinc/59/23/25/553592325.db2.gz ASXZSKMSJHUJGG-FDDCHVKYSA-N 0 0 552.715 3.923 40 0 KHABRN COc1cc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc(OC)c1OC ZINC000017297254 553592370 /nfs/dbraw/zinc/59/23/70/553592370.db2.gz ASXZSKMSJHUJGG-MBSDFSHPSA-N 0 0 552.715 3.923 40 0 KHABRN Cc1cc(C)c(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c(C)c1 ZINC000017297551 553592507 /nfs/dbraw/zinc/59/25/07/553592507.db2.gz TVRUCSBKQXVNJJ-PWUYWRBVSA-N 0 0 593.677 3.965 40 0 KHABRN Cc1cc(C)c(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)c(C)c1 ZINC000017297554 553592557 /nfs/dbraw/zinc/59/25/57/553592557.db2.gz TVRUCSBKQXVNJJ-OUTSHDOLSA-N 0 0 593.677 3.965 40 0 KHABRN COc1cccc(CN(C(=O)Cn2nnc(-c3ccccc3F)n2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000017357098 553594323 /nfs/dbraw/zinc/59/43/23/553594323.db2.gz NTVQKTCWCYHXED-RUZDIDTESA-N 0 0 531.592 3.568 40 0 KHABRN COc1cccc(CN(C(=O)Cn2nnc(-c3ccccc3F)n2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000017357101 553594364 /nfs/dbraw/zinc/59/43/64/553594364.db2.gz NTVQKTCWCYHXED-VWLOTQADSA-N 0 0 531.592 3.568 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NCCC(C)C)c1cccnc1)OCO2 ZINC000017357117 553594361 /nfs/dbraw/zinc/59/43/61/553594361.db2.gz NKXYCCDTKMXLEO-NDEPHWFRSA-N 0 0 542.596 3.694 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NCCC(C)C)c1cccnc1)OCO2 ZINC000017357119 553594246 /nfs/dbraw/zinc/59/42/46/553594246.db2.gz NKXYCCDTKMXLEO-MUUNZHRXSA-N 0 0 542.596 3.694 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(NC(C)=O)cc2)cc1OC ZINC000017376485 553594882 /nfs/dbraw/zinc/59/48/82/553594882.db2.gz WYRMLBOZVWODIY-NEKDWFFYSA-N 0 0 594.690 3.523 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(NC(C)=O)cc2)cc1OC ZINC000017376488 553594869 /nfs/dbraw/zinc/59/48/69/553594869.db2.gz WYRMLBOZVWODIY-FIPFOOKPSA-N 0 0 594.690 3.523 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(NC(C)=O)cc2)cc1OC ZINC000017376491 553594887 /nfs/dbraw/zinc/59/48/87/553594887.db2.gz WYRMLBOZVWODIY-QDPGVEIFSA-N 0 0 594.690 3.523 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(NC(C)=O)cc2)cc1OC ZINC000017376493 553594845 /nfs/dbraw/zinc/59/48/45/553594845.db2.gz WYRMLBOZVWODIY-LXFBAYGMSA-N 0 0 594.690 3.523 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376499 553594857 /nfs/dbraw/zinc/59/48/57/553594857.db2.gz SFXKFTUAWOGUBW-WXVAWEFUSA-N 0 0 567.664 3.573 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376502 553594904 /nfs/dbraw/zinc/59/49/04/553594904.db2.gz SFXKFTUAWOGUBW-CUNXSJBXSA-N 0 0 567.664 3.573 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376505 553594865 /nfs/dbraw/zinc/59/48/65/553594865.db2.gz SFXKFTUAWOGUBW-AJTFRIOCSA-N 0 0 567.664 3.573 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376508 553594860 /nfs/dbraw/zinc/59/48/60/553594860.db2.gz SFXKFTUAWOGUBW-AMGIVPHBSA-N 0 0 567.664 3.573 40 0 KHABRN CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376511 553594867 /nfs/dbraw/zinc/59/48/67/553594867.db2.gz JESUEJPZAAUGHQ-NEKDWFFYSA-N 0 0 581.691 3.964 40 0 KHABRN CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376514 553594881 /nfs/dbraw/zinc/59/48/81/553594881.db2.gz JESUEJPZAAUGHQ-FIPFOOKPSA-N 0 0 581.691 3.964 40 0 KHABRN CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376516 553594868 /nfs/dbraw/zinc/59/48/68/553594868.db2.gz JESUEJPZAAUGHQ-QDPGVEIFSA-N 0 0 581.691 3.964 40 0 KHABRN CCOc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000017376518 553594871 /nfs/dbraw/zinc/59/48/71/553594871.db2.gz JESUEJPZAAUGHQ-LXFBAYGMSA-N 0 0 581.691 3.964 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NCc2ccco2)c2ccccc2F)cc1 ZINC000017376582 553595139 /nfs/dbraw/zinc/59/51/39/553595139.db2.gz UZNLCJNMRILMKY-AREMUKBSSA-N 0 0 532.528 3.791 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NCc2ccco2)c2ccccc2F)cc1 ZINC000017376585 553595179 /nfs/dbraw/zinc/59/51/79/553595179.db2.gz UZNLCJNMRILMKY-SANMLTNESA-N 0 0 532.528 3.791 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)cc1OC ZINC000017376694 553595121 /nfs/dbraw/zinc/59/51/21/553595121.db2.gz XPXVUFTVLLXKDY-HFZDXXHNSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)cc1OC ZINC000017376696 553595111 /nfs/dbraw/zinc/59/51/11/553595111.db2.gz XPXVUFTVLLXKDY-LVXARBLLSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)cc1OC ZINC000017376698 553595084 /nfs/dbraw/zinc/59/50/84/553595084.db2.gz XPXVUFTVLLXKDY-QFQXNSOFSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2)cc1OC ZINC000017376701 553595093 /nfs/dbraw/zinc/59/50/93/553595093.db2.gz XPXVUFTVLLXKDY-RLWLMLJZSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)=O)cc2)cc1OC ZINC000017376704 553595091 /nfs/dbraw/zinc/59/50/91/553595091.db2.gz WYHFMKDJVTVEAV-NEKDWFFYSA-N 0 0 579.675 3.767 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)=O)cc2)cc1OC ZINC000017376707 553595147 /nfs/dbraw/zinc/59/51/47/553595147.db2.gz WYHFMKDJVTVEAV-FIPFOOKPSA-N 0 0 579.675 3.767 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)=O)cc2)cc1OC ZINC000017376709 553595082 /nfs/dbraw/zinc/59/50/82/553595082.db2.gz WYHFMKDJVTVEAV-QDPGVEIFSA-N 0 0 579.675 3.767 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)=O)cc2)cc1OC ZINC000017376712 553595113 /nfs/dbraw/zinc/59/51/13/553595113.db2.gz WYHFMKDJVTVEAV-LXFBAYGMSA-N 0 0 579.675 3.767 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1OC ZINC000017376715 553595157 /nfs/dbraw/zinc/59/51/57/553595157.db2.gz KRZMJRDBPVTVEJ-KDYSTLNUSA-N 0 0 551.665 3.873 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1OC ZINC000017376719 553595135 /nfs/dbraw/zinc/59/51/35/553595135.db2.gz KRZMJRDBPVTVEJ-IDISGSTGSA-N 0 0 551.665 3.873 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1OC ZINC000017376722 553595163 /nfs/dbraw/zinc/59/51/63/553595163.db2.gz KRZMJRDBPVTVEJ-JIPXPUAJSA-N 0 0 551.665 3.873 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1OC ZINC000017376725 553595116 /nfs/dbraw/zinc/59/51/16/553595116.db2.gz KRZMJRDBPVTVEJ-ZBLYBZFDSA-N 0 0 551.665 3.873 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000017376728 553595088 /nfs/dbraw/zinc/59/50/88/553595088.db2.gz TZEUHBZSMOHSFM-RBTNQOKQSA-N 0 0 597.690 3.582 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000017376731 553595127 /nfs/dbraw/zinc/59/51/27/553595127.db2.gz TZEUHBZSMOHSFM-KMRXNPHXSA-N 0 0 597.690 3.582 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000017376734 553595145 /nfs/dbraw/zinc/59/51/45/553595145.db2.gz TZEUHBZSMOHSFM-LYZGTLIUSA-N 0 0 597.690 3.582 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)c1 ZINC000017376737 553595173 /nfs/dbraw/zinc/59/51/73/553595173.db2.gz TZEUHBZSMOHSFM-PIKZIKFNSA-N 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/nfs/dbraw/zinc/59/60/39/553596039.db2.gz RVBXCEBXAMBQTL-FITHBNAOSA-N 0 0 514.578 3.542 40 0 KHABRN O=C(Cn1nnc(-c2cccs2)n1)N(Cc1cccs1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000017594820 553598221 /nfs/dbraw/zinc/59/82/21/553598221.db2.gz QUNXQDAOCJOKFX-HRAATJIYSA-N 0 0 528.685 3.590 40 0 KHABRN O=C(Cn1nnc(-c2cccs2)n1)N(Cc1cccs1)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccs1 ZINC000017594823 553598296 /nfs/dbraw/zinc/59/82/96/553598296.db2.gz QUNXQDAOCJOKFX-KKSFZXQISA-N 0 0 528.685 3.590 40 0 KHABRN C[C@H]1O[C@H](NC(=O)c2ccc(Br)cc2)[C@@H](NC(=O)c2ccc(Br)cc2)O[C@H]1C ZINC000017611110 553598803 /nfs/dbraw/zinc/59/88/03/553598803.db2.gz UKPGDVKOWKJPEK-YLYZPZNOSA-N 0 0 512.198 3.847 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000018045596 553601972 /nfs/dbraw/zinc/60/19/72/553601972.db2.gz DBGUPMGXTDNWCZ-WDXRGRCHSA-N 0 0 527.481 3.779 40 0 KHABRN CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4OC)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000018158303 553606621 /nfs/dbraw/zinc/60/66/21/553606621.db2.gz NYIWAIRPVICZMQ-DSITVLBTSA-N 0 0 502.523 3.932 40 0 KHABRN O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCCN12 ZINC000018169974 553606891 /nfs/dbraw/zinc/60/68/91/553606891.db2.gz IIPXIDATKIXOBE-BZDHPDOMSA-N 0 0 504.743 3.673 40 0 KHABRN COc1cc([C@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)ccc1O ZINC000018180805 553607744 /nfs/dbraw/zinc/60/77/44/553607744.db2.gz UBCBUPVTRIWICX-BFYDXBDKSA-N 0 0 519.398 3.709 40 0 KHABRN Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000018272255 553611920 /nfs/dbraw/zinc/61/19/20/553611920.db2.gz VVBNIZUPNSFBAR-XICVLRSMSA-N 0 0 517.626 3.949 40 0 KHABRN O=C(NCCCCCCNC(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000019015565 553612397 /nfs/dbraw/zinc/61/23/97/553612397.db2.gz FFLRVGASEMBLRO-UHFFFAOYSA-N 0 0 520.722 3.602 40 0 KHABRN O=C(NCCCCCCNC(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019074969 553612431 /nfs/dbraw/zinc/61/24/31/553612431.db2.gz GBGYPPBKSCUMHG-UHFFFAOYSA-N 0 0 528.648 3.889 40 0 KHABRN O=C(NCCCCCCNC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1 ZINC000019074972 553612436 /nfs/dbraw/zinc/61/24/36/553612436.db2.gz APFKVWSRLFYMJX-UHFFFAOYSA-N 0 0 528.648 3.889 40 0 KHABRN Brc1ccc2c(c1)O[C@@H](CN1CCN(C[C@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365907 553614129 /nfs/dbraw/zinc/61/41/29/553614129.db2.gz WKUUDNONHURCJX-ROUUACIJSA-N 0 0 540.252 3.809 40 0 KHABRN Brc1ccc2c(c1)O[C@H](CN1CCN(C[C@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365909 553614227 /nfs/dbraw/zinc/61/42/27/553614227.db2.gz WKUUDNONHURCJX-HDICACEKSA-N 0 0 540.252 3.809 40 0 KHABRN Brc1ccc2c(c1)O[C@H](CN1CCN(C[C@@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365910 553614086 /nfs/dbraw/zinc/61/40/86/553614086.db2.gz WKUUDNONHURCJX-QZTJIDSGSA-N 0 0 540.252 3.809 40 0 KHABRN O=C(NC1CCCC1)[C@H](c1ccncc1)N(CCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019374101 553614486 /nfs/dbraw/zinc/61/44/86/553614486.db2.gz IRFWZSNMAPCMIL-MHZLTWQESA-N 0 0 501.631 3.651 40 0 KHABRN O=C(NC1CCCC1)[C@@H](c1ccncc1)N(CCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000019374102 553614626 /nfs/dbraw/zinc/61/46/26/553614626.db2.gz IRFWZSNMAPCMIL-HHHXNRCGSA-N 0 0 501.631 3.651 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCc3ccccc3)cc2c1 ZINC000019824533 553620891 /nfs/dbraw/zinc/62/08/91/553620891.db2.gz JFTFWXIFGVRCBT-UHFFFAOYSA-N 0 0 508.688 3.568 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019824581 553620965 /nfs/dbraw/zinc/62/09/65/553620965.db2.gz UINNZTKQKHPBBN-UHFFFAOYSA-N 0 0 512.651 3.665 40 0 KHABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019825367 553621067 /nfs/dbraw/zinc/62/10/67/553621067.db2.gz RWZHYUPSTTYOBK-UHFFFAOYSA-N 0 0 508.688 3.698 40 0 KHABRN COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=S)NCCCN2CCOCC2)cc1 ZINC000019825387 553621163 /nfs/dbraw/zinc/62/11/63/553621163.db2.gz WNLDYQPBZAUPAC-UHFFFAOYSA-N 0 0 508.688 3.753 40 0 KHABRN COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=S)NCCCN2CCOCC2)cc1 ZINC000019825394 553621103 /nfs/dbraw/zinc/62/11/03/553621103.db2.gz FRBPUVOWNHDDOW-UHFFFAOYSA-N 0 0 508.688 3.753 40 0 KHABRN COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=S)NCCCN2CCOCC2)cc1 ZINC000019825399 553621126 /nfs/dbraw/zinc/62/11/26/553621126.db2.gz OLMSUIUTRHTELE-UHFFFAOYSA-N 0 0 508.688 3.753 40 0 KHABRN COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=S)NCCCN2CCOCC2)cc1 ZINC000019825405 553621192 /nfs/dbraw/zinc/62/11/92/553621192.db2.gz QXNVHOGJXNVQSD-UHFFFAOYSA-N 0 0 508.688 3.753 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019825417 553621215 /nfs/dbraw/zinc/62/12/15/553621215.db2.gz YOCQQRJVMNEFOW-UHFFFAOYSA-N 0 0 524.687 3.534 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCCN3CCOCC3)cc2c1 ZINC000019825537 553621475 /nfs/dbraw/zinc/62/14/75/553621475.db2.gz DMHZHGVQDDCWKD-UHFFFAOYSA-N 0 0 500.690 3.587 40 0 KHABRN COC(=O)c1ccccc1NC(=S)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O 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COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000019940640 553640211 /nfs/dbraw/zinc/64/02/11/553640211.db2.gz QNOTZVLHULQOAT-HHHXNRCGSA-N 0 0 513.646 3.936 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000019940641 553640149 /nfs/dbraw/zinc/64/01/49/553640149.db2.gz QNOTZVLHULQOAT-MHZLTWQESA-N 0 0 513.646 3.936 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4F)CC3)cc2c1 ZINC000019940646 553640174 /nfs/dbraw/zinc/64/01/74/553640174.db2.gz OYKUXVSKJJYQHA-HHHXNRCGSA-N 0 0 525.588 3.622 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4F)CC3)cc2c1 ZINC000019940647 553640209 /nfs/dbraw/zinc/64/02/09/553640209.db2.gz OYKUXVSKJJYQHA-MHZLTWQESA-N 0 0 525.588 3.622 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000019940648 553640195 /nfs/dbraw/zinc/64/01/95/553640195.db2.gz FMZNORQZFXMHHW-HHHXNRCGSA-N 0 0 525.588 3.622 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000019940649 553640161 /nfs/dbraw/zinc/64/01/61/553640161.db2.gz FMZNORQZFXMHHW-MHZLTWQESA-N 0 0 525.588 3.622 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000019940706 553640673 /nfs/dbraw/zinc/64/06/73/553640673.db2.gz LTYNXIDFVZBGPZ-RUZDIDTESA-N 0 0 515.618 3.723 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000019940707 553640667 /nfs/dbraw/zinc/64/06/67/553640667.db2.gz LTYNXIDFVZBGPZ-VWLOTQADSA-N 0 0 515.618 3.723 40 0 KHABRN Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C ZINC000019940784 553640968 /nfs/dbraw/zinc/64/09/68/553640968.db2.gz GLUHMKOXELFWFB-RUZDIDTESA-N 0 0 515.618 3.777 40 0 KHABRN Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2cc1C ZINC000019940785 553640989 /nfs/dbraw/zinc/64/09/89/553640989.db2.gz GLUHMKOXELFWFB-VWLOTQADSA-N 0 0 515.618 3.777 40 0 KHABRN Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)cc12 ZINC000019940878 553641515 /nfs/dbraw/zinc/64/15/15/553641515.db2.gz GCZFBBOBQOYWQP-RUZDIDTESA-N 0 0 515.618 3.777 40 0 KHABRN Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)cc12 ZINC000019940879 553641490 /nfs/dbraw/zinc/64/14/90/553641490.db2.gz GCZFBBOBQOYWQP-VWLOTQADSA-N 0 0 515.618 3.777 40 0 KHABRN Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 ZINC000019940952 553641997 /nfs/dbraw/zinc/64/19/97/553641997.db2.gz GKHSRPHWXACLAP-RUZDIDTESA-N 0 0 515.618 3.777 40 0 KHABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1 ZINC000019940953 553641955 /nfs/dbraw/zinc/64/19/55/553641955.db2.gz GKHSRPHWXACLAP-VWLOTQADSA-N 0 0 515.618 3.777 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000019941180 553642763 /nfs/dbraw/zinc/64/27/63/553642763.db2.gz XACCVNWCEGDFLY-JBIJDGJZSA-N 0 0 513.994 3.642 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000019941181 553642753 /nfs/dbraw/zinc/64/27/53/553642753.db2.gz XACCVNWCEGDFLY-NOSOEOKASA-N 0 0 513.994 3.642 40 0 KHABRN Cc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000019941222 553643065 /nfs/dbraw/zinc/64/30/65/553643065.db2.gz KCUOAKFXYWRGSY-CFVYTDDHSA-N 0 0 501.624 3.610 40 0 KHABRN Cc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1C ZINC000019941223 553643010 /nfs/dbraw/zinc/64/30/10/553643010.db2.gz KCUOAKFXYWRGSY-HSVJZKSBSA-N 0 0 501.624 3.610 40 0 KHABRN Cc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000019941226 553643026 /nfs/dbraw/zinc/64/30/26/553643026.db2.gz JYSDLPOYPFWLPB-CFVYTDDHSA-N 0 0 501.624 3.610 40 0 KHABRN Cc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000019941227 553643050 /nfs/dbraw/zinc/64/30/50/553643050.db2.gz JYSDLPOYPFWLPB-HSVJZKSBSA-N 0 0 501.624 3.610 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000019941240 553643053 /nfs/dbraw/zinc/64/30/53/553643053.db2.gz UHXVEMSRZRRKND-JTJFVBHCSA-N 0 0 508.015 3.647 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000019941241 553642986 /nfs/dbraw/zinc/64/29/86/553642986.db2.gz UHXVEMSRZRRKND-JCYUZIAUSA-N 0 0 508.015 3.647 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)c1 ZINC000019941258 553643008 /nfs/dbraw/zinc/64/30/08/553643008.db2.gz KMWFFXHKWOYEON-PGUFJCEWSA-N 0 0 501.624 3.612 40 0 KHABRN Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)c1C ZINC000019941260 553643040 /nfs/dbraw/zinc/64/30/40/553643040.db2.gz HCWXDPCOEMMVCG-PGUFJCEWSA-N 0 0 501.624 3.612 40 0 KHABRN Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)c(C)c1 ZINC000019941262 553642993 /nfs/dbraw/zinc/64/29/93/553642993.db2.gz AONPJUOFJXURRI-PGUFJCEWSA-N 0 0 501.624 3.612 40 0 KHABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1)NC1CCCCC1 ZINC000019941268 553643261 /nfs/dbraw/zinc/64/32/61/553643261.db2.gz QHALFXPGTDHDDA-UMSFTDKQSA-N 0 0 508.015 3.648 40 0 KHABRN O=C(C[S@@](=O)CC(=O)N(CC(=O)NC1CCCCC1)c1ccc(F)c(Cl)c1)Nc1ccc(F)cc1 ZINC000019941269 553643219 /nfs/dbraw/zinc/64/32/19/553643219.db2.gz CLWJQQGOKVTDMZ-DHUJRADRSA-N 0 0 526.005 3.788 40 0 KHABRN Cc1ccccc1N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000019941279 553643182 /nfs/dbraw/zinc/64/31/82/553643182.db2.gz QDQJZDLEFOSBLU-CFVYTDDHSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1ccccc1N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000019941280 553643227 /nfs/dbraw/zinc/64/32/27/553643227.db2.gz QDQJZDLEFOSBLU-HSVJZKSBSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000019941283 553643224 /nfs/dbraw/zinc/64/32/24/553643224.db2.gz LGDCDXRGFUMSDO-CFVYTDDHSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1cccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000019941284 553643177 /nfs/dbraw/zinc/64/31/77/553643177.db2.gz LGDCDXRGFUMSDO-HSVJZKSBSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000019941287 553643244 /nfs/dbraw/zinc/64/32/44/553643244.db2.gz ZVFPPWHTFYOSNN-CFVYTDDHSA-N 0 0 501.624 3.692 40 0 KHABRN Cc1ccc(N(C(=O)C[S@@](=O)CC(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000019941288 553643206 /nfs/dbraw/zinc/64/32/06/553643206.db2.gz ZVFPPWHTFYOSNN-HSVJZKSBSA-N 0 0 501.624 3.692 40 0 KHABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000019941295 553643231 /nfs/dbraw/zinc/64/32/31/553643231.db2.gz BNNRYNSMBVAGSC-YQXIYLPXSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1F ZINC000019941296 553643214 /nfs/dbraw/zinc/64/32/14/553643214.db2.gz BNNRYNSMBVAGSC-YFMKOLDFSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000019941297 553643186 /nfs/dbraw/zinc/64/31/86/553643186.db2.gz BZGGOYJEXISCET-YQXIYLPXSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000019941298 553643194 /nfs/dbraw/zinc/64/31/94/553643194.db2.gz BZGGOYJEXISCET-YFMKOLDFSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019941299 553643242 /nfs/dbraw/zinc/64/32/42/553643242.db2.gz CYKZMKHRXDRFTB-YQXIYLPXSA-N 0 0 505.587 3.523 40 0 KHABRN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000019941300 553643252 /nfs/dbraw/zinc/64/32/52/553643252.db2.gz CYKZMKHRXDRFTB-YFMKOLDFSA-N 0 0 505.587 3.523 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000019941329 553643461 /nfs/dbraw/zinc/64/34/61/553643461.db2.gz PVSAVWKOVDMILW-WNCULLNHSA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000019941330 553643469 /nfs/dbraw/zinc/64/34/69/553643469.db2.gz PVSAVWKOVDMILW-HOFKKMOUSA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000019941331 553643364 /nfs/dbraw/zinc/64/33/64/553643364.db2.gz PVSAVWKOVDMILW-YIXXDRMTSA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)cc2c1 ZINC000019941332 553643513 /nfs/dbraw/zinc/64/35/13/553643513.db2.gz PVSAVWKOVDMILW-KCWPFWIISA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000019941351 553643680 /nfs/dbraw/zinc/64/36/80/553643680.db2.gz AGWXLFKXUNJFTP-WNCULLNHSA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000019941352 553643707 /nfs/dbraw/zinc/64/37/07/553643707.db2.gz AGWXLFKXUNJFTP-HOFKKMOUSA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000019941353 553643667 /nfs/dbraw/zinc/64/36/67/553643667.db2.gz AGWXLFKXUNJFTP-YIXXDRMTSA-N 0 0 513.646 3.530 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cc(C)ccc4C)CC3)cc2c1 ZINC000019941354 553643736 /nfs/dbraw/zinc/64/37/36/553643736.db2.gz AGWXLFKXUNJFTP-KCWPFWIISA-N 0 0 513.646 3.530 40 0 KHABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000019941361 553643738 /nfs/dbraw/zinc/64/37/38/553643738.db2.gz YHMZUWCTCLYHJX-NDEPHWFRSA-N 0 0 521.625 3.792 40 0 KHABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000019941362 553643685 /nfs/dbraw/zinc/64/36/85/553643685.db2.gz YHMZUWCTCLYHJX-MUUNZHRXSA-N 0 0 521.625 3.792 40 0 KHABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000019941363 553643661 /nfs/dbraw/zinc/64/36/61/553643661.db2.gz KHLTTXNPECXZQH-HHHXNRCGSA-N 0 0 509.589 3.922 40 0 KHABRN 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COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc(Br)c3)CC2)c1 ZINC000020018081 553659994 /nfs/dbraw/zinc/65/99/94/553659994.db2.gz WACBUDGHXVPJRH-OAHLLOKOSA-N 0 0 511.438 3.744 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000020020351 553660866 /nfs/dbraw/zinc/66/08/66/553660866.db2.gz XRQVRMMKAHDBSL-KRWDZBQOSA-N 0 0 500.573 3.769 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000020020354 553661036 /nfs/dbraw/zinc/66/10/36/553661036.db2.gz XRQVRMMKAHDBSL-QGZVFWFLSA-N 0 0 500.573 3.769 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000020020505 553660970 /nfs/dbraw/zinc/66/09/70/553660970.db2.gz FLERSEVKTWHPTC-UHFFFAOYSA-N 0 0 500.573 3.599 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020020651 553661290 /nfs/dbraw/zinc/66/12/90/553661290.db2.gz AXPARUKETVHCIS-UHFFFAOYSA-N 0 0 512.428 3.763 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)cc2)cc1Cl ZINC000020020970 553661541 /nfs/dbraw/zinc/66/15/41/553661541.db2.gz XYJFXGOZMOFJPL-UHFFFAOYSA-N 0 0 520.991 3.862 40 0 KHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000020021006 553661602 /nfs/dbraw/zinc/66/16/02/553661602.db2.gz YGXPDIYEYLDNKT-KRWDZBQOSA-N 0 0 500.573 3.769 40 0 KHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000020021009 553661548 /nfs/dbraw/zinc/66/15/48/553661548.db2.gz YGXPDIYEYLDNKT-QGZVFWFLSA-N 0 0 500.573 3.769 40 0 KHABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000020021167 553661611 /nfs/dbraw/zinc/66/16/11/553661611.db2.gz FDKCPUYMAPUIPI-UHFFFAOYSA-N 0 0 500.417 3.666 40 0 KHABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C)cc1OC ZINC000020022134 553661911 /nfs/dbraw/zinc/66/19/11/553661911.db2.gz ROQCFKUGHCJAHF-UHFFFAOYSA-N 0 0 510.612 3.849 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)c(C)c2)cc1 ZINC000020022534 553662171 /nfs/dbraw/zinc/66/21/71/553662171.db2.gz NRGVRVYOJSITBJ-UHFFFAOYSA-N 0 0 514.600 3.907 40 0 KHABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc1OC ZINC000020022815 553662222 /nfs/dbraw/zinc/66/22/22/553662222.db2.gz DJUABCLBFRMNPO-UHFFFAOYSA-N 0 0 517.003 3.804 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(OC)c(OC)c3)c(Cl)c2)cc1 ZINC000020023301 553662510 /nfs/dbraw/zinc/66/25/10/553662510.db2.gz PHOKELLVXOBPAC-UHFFFAOYSA-N 0 0 520.991 3.862 40 0 KHABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000020030609 553664317 /nfs/dbraw/zinc/66/43/17/553664317.db2.gz SUMMJPSACUSYPS-UHFFFAOYSA-N 0 0 533.716 3.501 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)C2CCCCC2)c(C)c1 ZINC000020030906 553664592 /nfs/dbraw/zinc/66/45/92/553664592.db2.gz GVUMZEIUIKJCLB-UHFFFAOYSA-N 0 0 535.732 3.502 40 0 KHABRN COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)c1C ZINC000020036552 553667609 /nfs/dbraw/zinc/66/76/09/553667609.db2.gz NPTUDQLBAGTSOM-UHFFFAOYSA-N 0 0 509.422 3.725 40 0 KHABRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)cc1 ZINC000020037267 553668016 /nfs/dbraw/zinc/66/80/16/553668016.db2.gz RHNYSPMPPCEBEX-UHFFFAOYSA-N 0 0 529.666 3.617 40 0 KHABRN COC(=O)[C@@H]1[C@@]23Oc4ccccc4[C@H]2n2c(=O)/c(=C/c4ccc(-c5ccccc5Cl)o4)sc2=N[C@@]13C ZINC000020038297 553668036 /nfs/dbraw/zinc/66/80/36/553668036.db2.gz MQEURDQIWDOYMT-ZBTKPLIBSA-N 0 0 518.978 3.567 40 0 KHABRN COC(=O)[C@@H]1[C@@]23Oc4ccccc4[C@H]2n2c(=O)/c(=C/c4ccc(-c5cccc(Cl)c5)o4)sc2=N[C@@]13C ZINC000020038318 553668237 /nfs/dbraw/zinc/66/82/37/553668237.db2.gz WQZCEPIOPJANHK-ZBTKPLIBSA-N 0 0 518.978 3.567 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000020038395 553668289 /nfs/dbraw/zinc/66/82/89/553668289.db2.gz BFZXVZTYFWEQSN-UHFFFAOYSA-N 0 0 515.613 3.533 40 0 KHABRN COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1OC ZINC000020039640 553668593 /nfs/dbraw/zinc/66/85/93/553668593.db2.gz QRYXPAZXXGEFEE-MRXNPFEDSA-N 0 0 501.432 3.869 40 0 KHABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1OC ZINC000020039643 553668542 /nfs/dbraw/zinc/66/85/42/553668542.db2.gz QRYXPAZXXGEFEE-INIZCTEOSA-N 0 0 501.432 3.869 40 0 KHABRN COc1ccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000020040093 553668553 /nfs/dbraw/zinc/66/85/53/553668553.db2.gz FSTNNWKCTIMPPM-UHFFFAOYSA-N 0 0 509.466 3.749 40 0 KHABRN COC(=O)c1cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc(C(=O)OC)c1 ZINC000020040272 553668948 /nfs/dbraw/zinc/66/89/48/553668948.db2.gz ITNBXVLZTSADKM-UHFFFAOYSA-N 0 0 502.932 3.966 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000020041868 553668924 /nfs/dbraw/zinc/66/89/24/553668924.db2.gz QPADCZZGQHJRJW-UHFFFAOYSA-N 0 0 523.677 3.507 40 0 KHABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1N1CCCC1=O 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/nfs/dbraw/zinc/66/99/04/553669904.db2.gz SSOVUZSEEPVUOR-UHFFFAOYSA-N 0 0 528.627 3.883 40 0 KHABRN CCOC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)c1 ZINC000020046413 553669970 /nfs/dbraw/zinc/66/99/70/553669970.db2.gz MSYLYEBHBWUHQG-UHFFFAOYSA-N 0 0 509.422 3.806 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000020048311 553670518 /nfs/dbraw/zinc/67/05/18/553670518.db2.gz LRFJVJANGODNCL-UHFFFAOYSA-N 0 0 513.641 3.974 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c2ccccc2OC)cc1 ZINC000020048909 553670498 /nfs/dbraw/zinc/67/04/98/553670498.db2.gz WMRCLLPQVNQCKK-SFHVURJKSA-N 0 0 514.600 3.794 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c2ccccc2OC)cc1 ZINC000020048910 553670455 /nfs/dbraw/zinc/67/04/55/553670455.db2.gz WMRCLLPQVNQCKK-GOSISDBHSA-N 0 0 514.600 3.794 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000020048926 553670469 /nfs/dbraw/zinc/67/04/69/553670469.db2.gz RDBNXUYNRNNKSL-UHFFFAOYSA-N 0 0 509.422 3.806 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c1 ZINC000020060660 553671956 /nfs/dbraw/zinc/67/19/56/553671956.db2.gz FYMVMZJABDXQFX-UHFFFAOYSA-N 0 0 507.461 3.826 40 0 KHABRN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000020060663 553671984 /nfs/dbraw/zinc/67/19/84/553671984.db2.gz NZGIDNBIUDDPFV-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1OC ZINC000020060682 553672008 /nfs/dbraw/zinc/67/20/08/553672008.db2.gz BATXNGFRPRZQFR-UHFFFAOYSA-N 0 0 507.461 3.826 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000020060689 553672026 /nfs/dbraw/zinc/67/20/26/553672026.db2.gz SFDPOTBBZNCGLA-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000020060690 553671992 /nfs/dbraw/zinc/67/19/92/553671992.db2.gz IJXLBGWCDGSZKM-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O ZINC000020060698 553672127 /nfs/dbraw/zinc/67/21/27/553672127.db2.gz KVQJLGIKFNWIKM-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000020060699 553672222 /nfs/dbraw/zinc/67/22/22/553672222.db2.gz JMZIFMHMBDCPSP-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000020060714 553672115 /nfs/dbraw/zinc/67/21/15/553672115.db2.gz TUTLBHKXMRYAKE-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000020060727 553672106 /nfs/dbraw/zinc/67/21/06/553672106.db2.gz QBXIKAYHEANOEA-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020060734 553672492 /nfs/dbraw/zinc/67/24/92/553672492.db2.gz TUNHLLYWFWOHOX-UHFFFAOYSA-N 0 0 512.584 3.941 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020060775 553672497 /nfs/dbraw/zinc/67/24/97/553672497.db2.gz LVZMMEIXLSBFRP-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020060789 553672724 /nfs/dbraw/zinc/67/27/24/553672724.db2.gz WNZVERIESYLLBS-UHFFFAOYSA-N 0 0 511.619 3.995 40 0 KHABRN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c(OC)c1 ZINC000020060799 553672650 /nfs/dbraw/zinc/67/26/50/553672650.db2.gz QZYCTOGGBLFTOP-UHFFFAOYSA-N 0 0 507.461 3.826 40 0 KHABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000020060813 553672702 /nfs/dbraw/zinc/67/27/02/553672702.db2.gz QVHSKBOGVCTSAD-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020060820 553672662 /nfs/dbraw/zinc/67/26/62/553672662.db2.gz IBYUJXNHDXJUAW-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000020060827 553672980 /nfs/dbraw/zinc/67/29/80/553672980.db2.gz OCXNTCZUPXXAIQ-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000020060844 553672932 /nfs/dbraw/zinc/67/29/32/553672932.db2.gz SQTOXKQHRVMFKZ-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccc(C)cc2)cc1OC ZINC000020060845 553673009 /nfs/dbraw/zinc/67/30/09/553673009.db2.gz FHQICUOSCGSYKB-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)c1 ZINC000020060848 553673028 /nfs/dbraw/zinc/67/30/28/553673028.db2.gz ATRSRHLYRGJQIV-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020060855 553673038 /nfs/dbraw/zinc/67/30/38/553673038.db2.gz BGAXXKNHQGACBK-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000020060864 553672992 /nfs/dbraw/zinc/67/29/92/553672992.db2.gz BYFWXPIBCHZINB-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000020060871 553672968 /nfs/dbraw/zinc/67/29/68/553672968.db2.gz PYIKSPUBDGDQPK-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C ZINC000020060874 553673207 /nfs/dbraw/zinc/67/32/07/553673207.db2.gz KHLZPAPIAJVXDI-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000020060887 553673255 /nfs/dbraw/zinc/67/32/55/553673255.db2.gz HLUURAIQIOSGDR-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000020060892 553673248 /nfs/dbraw/zinc/67/32/48/553673248.db2.gz BCQHTWWFZWRCLY-UHFFFAOYSA-N 0 0 501.630 3.763 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000020060895 553673186 /nfs/dbraw/zinc/67/31/86/553673186.db2.gz CHHDLFOFEFOGGV-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000020060899 553673173 /nfs/dbraw/zinc/67/31/73/553673173.db2.gz SZYXMIZVFVULTF-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 ZINC000020060901 553673231 /nfs/dbraw/zinc/67/32/31/553673231.db2.gz HQGDDHDNKOBTFJ-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000020060905 553673243 /nfs/dbraw/zinc/67/32/43/553673243.db2.gz MGDYMWZUXDFFIT-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020060914 553673210 /nfs/dbraw/zinc/67/32/10/553673210.db2.gz ULIVHSBQAJOYFE-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000020060919 553673507 /nfs/dbraw/zinc/67/35/07/553673507.db2.gz FJMMCFGLFLZTST-UHFFFAOYSA-N 0 0 512.584 3.941 40 0 KHABRN Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000020060921 553673476 /nfs/dbraw/zinc/67/34/76/553673476.db2.gz IUZIIBOFVCZUKZ-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000020060940 553673524 /nfs/dbraw/zinc/67/35/24/553673524.db2.gz FEAQRACQWOZUMT-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020060942 553673511 /nfs/dbraw/zinc/67/35/11/553673511.db2.gz FNGSSTNFDDGIBI-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000020060957 553673429 /nfs/dbraw/zinc/67/34/29/553673429.db2.gz BRBGSFUUONXGFG-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000020060960 553673518 /nfs/dbraw/zinc/67/35/18/553673518.db2.gz XPIDMEYCPLWEOI-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000020060965 553673472 /nfs/dbraw/zinc/67/34/72/553673472.db2.gz MVNHNBBWAVUAMJ-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCCSCc2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000020060966 553673466 /nfs/dbraw/zinc/67/34/66/553673466.db2.gz HLDGQABNIVPIPH-UHFFFAOYSA-N 0 0 507.461 3.826 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)c(C)c1 ZINC000020060971 553673484 /nfs/dbraw/zinc/67/34/84/553673484.db2.gz DAODAJWOLUUMQQ-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COc1ccc(N(CC(=O)NCCSCc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(OC)c1 ZINC000020060975 553673501 /nfs/dbraw/zinc/67/35/01/553673501.db2.gz GGDLHMJFWOXKFR-UHFFFAOYSA-N 0 0 507.461 3.826 40 0 KHABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000020060978 553673761 /nfs/dbraw/zinc/67/37/61/553673761.db2.gz QQSPEPCHWQNOHT-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)c1 ZINC000020060997 553673668 /nfs/dbraw/zinc/67/36/68/553673668.db2.gz LYKZOSCJONGZIV-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)cc1 ZINC000020060999 553673782 /nfs/dbraw/zinc/67/37/82/553673782.db2.gz QHQYRJIXLUKDKK-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccc(Cl)cc2)cc1 ZINC000020061007 553673771 /nfs/dbraw/zinc/67/37/71/553673771.db2.gz HRQFXTRJMINZBJ-UHFFFAOYSA-N 0 0 519.019 3.920 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020061011 553673755 /nfs/dbraw/zinc/67/37/55/553673755.db2.gz XVKBMZWSXFXJRI-SFHVURJKSA-N 0 0 517.629 3.598 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020061012 553673699 /nfs/dbraw/zinc/67/36/99/553673699.db2.gz XVKBMZWSXFXJRI-GOSISDBHSA-N 0 0 517.629 3.598 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1C ZINC000020061013 553673723 /nfs/dbraw/zinc/67/37/23/553673723.db2.gz IRGKLLPAQKROPV-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020061032 553673994 /nfs/dbraw/zinc/67/39/94/553673994.db2.gz BWTBCXBAKJHRTD-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(Cl)c1 ZINC000020061036 553673917 /nfs/dbraw/zinc/67/39/17/553673917.db2.gz PSVMGQLGGDJYJX-UHFFFAOYSA-N 0 0 511.984 3.685 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000020061047 553673983 /nfs/dbraw/zinc/67/39/83/553673983.db2.gz LLGPINCNVOKDKM-UHFFFAOYSA-N 0 0 511.619 3.995 40 0 KHABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000020061066 553673926 /nfs/dbraw/zinc/67/39/26/553673926.db2.gz YQKLMUMSMFLDBJ-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000020061084 553674021 /nfs/dbraw/zinc/67/40/21/553674021.db2.gz KCHGBTBCTZNQMC-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000020061091 553673933 /nfs/dbraw/zinc/67/39/33/553673933.db2.gz JDUDHVIXHGAOFI-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 ZINC000020061102 553674306 /nfs/dbraw/zinc/67/43/06/553674306.db2.gz HFVDZOCPLRZNOX-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000020061107 553674220 /nfs/dbraw/zinc/67/42/20/553674220.db2.gz HULNHYCUHRQXOD-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000020061121 553674200 /nfs/dbraw/zinc/67/42/00/553674200.db2.gz LYHJHGIXQWZWEI-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000020061123 553674174 /nfs/dbraw/zinc/67/41/74/553674174.db2.gz HFKDWECDZAMAPO-UHFFFAOYSA-N 0 0 517.629 3.599 40 0 KHABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1C ZINC000020061126 553674161 /nfs/dbraw/zinc/67/41/61/553674161.db2.gz YWZMTXHGKQHIKN-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020061158 553674429 /nfs/dbraw/zinc/67/44/29/553674429.db2.gz FHNWVLSSEHMHBO-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)cc1C ZINC000020061166 553674474 /nfs/dbraw/zinc/67/44/74/553674474.db2.gz KSSNBLMBYNMZKT-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000020061203 553674752 /nfs/dbraw/zinc/67/47/52/553674752.db2.gz WXIHYUXQQBFDCU-UHFFFAOYSA-N 0 0 505.593 3.594 40 0 KHABRN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000020061225 553674764 /nfs/dbraw/zinc/67/47/64/553674764.db2.gz PEGYGUZCHGICMC-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020061228 553674666 /nfs/dbraw/zinc/67/46/66/553674666.db2.gz IFJSJVBPZXDOPK-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000020061237 553674730 /nfs/dbraw/zinc/67/47/30/553674730.db2.gz ZDHZDILBSBWZJF-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccc(C)cc2)cc1OC ZINC000020061246 553674758 /nfs/dbraw/zinc/67/47/58/553674758.db2.gz UDAUUYJEKZIXKM-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000020061275 553675010 /nfs/dbraw/zinc/67/50/10/553675010.db2.gz HZSCHCAIJFPELB-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000020061284 553675019 /nfs/dbraw/zinc/67/50/19/553675019.db2.gz DYWIVDLCHIZTTH-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000020061287 553674970 /nfs/dbraw/zinc/67/49/70/553674970.db2.gz XEBWGGXMLVSOQV-UHFFFAOYSA-N 0 0 501.630 3.817 40 0 KHABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1C ZINC000020079512 553676629 /nfs/dbraw/zinc/67/66/29/553676629.db2.gz LIUBQWCYOMJBKR-NEKDWFFYSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1C ZINC000020079515 553676646 /nfs/dbraw/zinc/67/66/46/553676646.db2.gz LIUBQWCYOMJBKR-FIPFOOKPSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1C ZINC000020079518 553676651 /nfs/dbraw/zinc/67/66/51/553676651.db2.gz LIUBQWCYOMJBKR-QDPGVEIFSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1C ZINC000020079520 553676647 /nfs/dbraw/zinc/67/66/47/553676647.db2.gz LIUBQWCYOMJBKR-LXFBAYGMSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000020079569 553676822 /nfs/dbraw/zinc/67/68/22/553676822.db2.gz XBOMTPOLBKMCTL-NEKDWFFYSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000020079572 553676840 /nfs/dbraw/zinc/67/68/40/553676840.db2.gz XBOMTPOLBKMCTL-FIPFOOKPSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000020079575 553676810 /nfs/dbraw/zinc/67/68/10/553676810.db2.gz XBOMTPOLBKMCTL-QDPGVEIFSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000020079579 553676856 /nfs/dbraw/zinc/67/68/56/553676856.db2.gz XBOMTPOLBKMCTL-LXFBAYGMSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020079659 553676818 /nfs/dbraw/zinc/67/68/18/553676818.db2.gz MQDGFHGSIKLMML-NEKDWFFYSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020079662 553676873 /nfs/dbraw/zinc/67/68/73/553676873.db2.gz MQDGFHGSIKLMML-FIPFOOKPSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020079665 553676860 /nfs/dbraw/zinc/67/68/60/553676860.db2.gz MQDGFHGSIKLMML-QDPGVEIFSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1 ZINC000020079668 553676791 /nfs/dbraw/zinc/67/67/91/553676791.db2.gz MQDGFHGSIKLMML-LXFBAYGMSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000020079728 553677128 /nfs/dbraw/zinc/67/71/28/553677128.db2.gz YAHKYNQGCWGVLX-NEKDWFFYSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000020079730 553677116 /nfs/dbraw/zinc/67/71/16/553677116.db2.gz YAHKYNQGCWGVLX-FIPFOOKPSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000020079733 553677121 /nfs/dbraw/zinc/67/71/21/553677121.db2.gz YAHKYNQGCWGVLX-QDPGVEIFSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4c(C)cc(C)cc4[nH]c3=O)CC2)c1 ZINC000020079736 553677151 /nfs/dbraw/zinc/67/71/51/553677151.db2.gz YAHKYNQGCWGVLX-LXFBAYGMSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1C ZINC000020079836 553677363 /nfs/dbraw/zinc/67/73/63/553677363.db2.gz UMXVFXDWLFZXQD-RBJSKKJNSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1C ZINC000020079839 553677345 /nfs/dbraw/zinc/67/73/45/553677345.db2.gz UMXVFXDWLFZXQD-CUBQBAPOSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1C ZINC000020079841 553677269 /nfs/dbraw/zinc/67/72/69/553677269.db2.gz UMXVFXDWLFZXQD-UFHPHHKVSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1cccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1C ZINC000020079843 553677347 /nfs/dbraw/zinc/67/73/47/553677347.db2.gz UMXVFXDWLFZXQD-YWEHKCAJSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000020079882 553677613 /nfs/dbraw/zinc/67/76/13/553677613.db2.gz NMOAKMKQGJHLTP-RBJSKKJNSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000020079885 553677595 /nfs/dbraw/zinc/67/75/95/553677595.db2.gz NMOAKMKQGJHLTP-CUBQBAPOSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000020079888 553677620 /nfs/dbraw/zinc/67/76/20/553677620.db2.gz NMOAKMKQGJHLTP-UFHPHHKVSA-N 0 0 527.673 3.839 40 0 KHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000020079891 553677582 /nfs/dbraw/zinc/67/75/82/553677582.db2.gz NMOAKMKQGJHLTP-YWEHKCAJSA-N 0 0 527.673 3.839 40 0 KHABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)ccc3[nH]c2=O)N2CCc3ccccc3C2)cc1 ZINC000020079974 553677603 /nfs/dbraw/zinc/67/76/03/553677603.db2.gz NCJDPULAXKNBDW-MHZLTWQESA-N 0 0 508.582 3.728 40 0 KHABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)ccc3[nH]c2=O)N2CCc3ccccc3C2)cc1 ZINC000020079978 553677601 /nfs/dbraw/zinc/67/76/01/553677601.db2.gz NCJDPULAXKNBDW-HHHXNRCGSA-N 0 0 508.582 3.728 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000020080112 553677820 /nfs/dbraw/zinc/67/78/20/553677820.db2.gz GNKDLTUKWWZTCO-HHHXNRCGSA-N 0 0 525.588 3.622 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000020080115 553677774 /nfs/dbraw/zinc/67/77/74/553677774.db2.gz GNKDLTUKWWZTCO-MHZLTWQESA-N 0 0 525.588 3.622 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000020080118 553677776 /nfs/dbraw/zinc/67/77/76/553677776.db2.gz LNIQVXDILNEMMC-DEOSSOPVSA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000020080121 553678041 /nfs/dbraw/zinc/67/80/41/553678041.db2.gz LNIQVXDILNEMMC-XMMPIXPASA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020080124 553678077 /nfs/dbraw/zinc/67/80/77/553678077.db2.gz ZPNXROXRGBZEOL-DEOSSOPVSA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020080127 553678102 /nfs/dbraw/zinc/67/81/02/553678102.db2.gz ZPNXROXRGBZEOL-XMMPIXPASA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 ZINC000020080130 553678053 /nfs/dbraw/zinc/67/80/53/553678053.db2.gz JZQMWIGFGXNTAS-VWLOTQADSA-N 0 0 517.634 3.589 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 ZINC000020080134 553678052 /nfs/dbraw/zinc/67/80/52/553678052.db2.gz JZQMWIGFGXNTAS-RUZDIDTESA-N 0 0 517.634 3.589 40 0 KHABRN COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CCc3ccccc3C2)cc1 ZINC000020080150 553678063 /nfs/dbraw/zinc/67/80/63/553678063.db2.gz QFRGETOCGUPILA-MHZLTWQESA-N 0 0 508.582 3.728 40 0 KHABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)N2CCc3ccccc3C2)cc1 ZINC000020080154 553678047 /nfs/dbraw/zinc/67/80/47/553678047.db2.gz QFRGETOCGUPILA-HHHXNRCGSA-N 0 0 508.582 3.728 40 0 KHABRN COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 ZINC000020080264 553678264 /nfs/dbraw/zinc/67/82/64/553678264.db2.gz JBIWWLOPLMXVRJ-AREMUKBSSA-N 0 0 515.618 3.646 40 0 KHABRN COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(O)cc4)CC3)c(=O)[nH]c2c1 ZINC000020080267 553678325 /nfs/dbraw/zinc/67/83/25/553678325.db2.gz JBIWWLOPLMXVRJ-SANMLTNESA-N 0 0 515.618 3.646 40 0 KHABRN COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000020080361 553678595 /nfs/dbraw/zinc/67/85/95/553678595.db2.gz YMIZWLGYLZIHPL-HHHXNRCGSA-N 0 0 525.588 3.622 40 0 KHABRN COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000020080365 553678566 /nfs/dbraw/zinc/67/85/66/553678566.db2.gz YMIZWLGYLZIHPL-MHZLTWQESA-N 0 0 525.588 3.622 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000020080368 553678614 /nfs/dbraw/zinc/67/86/14/553678614.db2.gz JLDCHMFUTXEMER-DEOSSOPVSA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000020080371 553678628 /nfs/dbraw/zinc/67/86/28/553678628.db2.gz JLDCHMFUTXEMER-XMMPIXPASA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020080374 553678612 /nfs/dbraw/zinc/67/86/12/553678612.db2.gz LOWLRLXYJYISKZ-DEOSSOPVSA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000020080378 553678609 /nfs/dbraw/zinc/67/86/09/553678609.db2.gz LOWLRLXYJYISKZ-XMMPIXPASA-N 0 0 505.598 3.719 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 ZINC000020080382 553678524 /nfs/dbraw/zinc/67/85/24/553678524.db2.gz YMBNKIATNMGEDQ-VWLOTQADSA-N 0 0 517.634 3.589 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(c2ccccc2OC)CC1 ZINC000020080385 553678616 /nfs/dbraw/zinc/67/86/16/553678616.db2.gz YMBNKIATNMGEDQ-RUZDIDTESA-N 0 0 517.634 3.589 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020080389 553678557 /nfs/dbraw/zinc/67/85/57/553678557.db2.gz CKUVOAMSOSCKJI-VWLOTQADSA-N 0 0 501.635 3.576 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(Cc2ccccc2)CC1 ZINC000020080392 553678602 /nfs/dbraw/zinc/67/86/02/553678602.db2.gz CKUVOAMSOSCKJI-RUZDIDTESA-N 0 0 501.635 3.576 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000020080407 553678527 /nfs/dbraw/zinc/67/85/27/553678527.db2.gz RNRIBVGOLFZIFB-RUZDIDTESA-N 0 0 531.617 3.559 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C(=O)c4ccco4)CC3)cc2c1 ZINC000020080410 553678610 /nfs/dbraw/zinc/67/86/10/553678610.db2.gz RNRIBVGOLFZIFB-VWLOTQADSA-N 0 0 531.617 3.559 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000020080508 553678840 /nfs/dbraw/zinc/67/88/40/553678840.db2.gz UKZYCNDCWPJATD-RUZDIDTESA-N 0 0 517.634 3.676 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000020080511 553678855 /nfs/dbraw/zinc/67/88/55/553678855.db2.gz UKZYCNDCWPJATD-VWLOTQADSA-N 0 0 517.634 3.676 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000020080513 553678835 /nfs/dbraw/zinc/67/88/35/553678835.db2.gz NGUTZESPWQPACH-AREMUKBSSA-N 0 0 515.618 3.646 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(O)cc4)CC3)cc2c1 ZINC000020080516 553678894 /nfs/dbraw/zinc/67/88/94/553678894.db2.gz NGUTZESPWQPACH-SANMLTNESA-N 0 0 515.618 3.646 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000020080552 553678844 /nfs/dbraw/zinc/67/88/44/553678844.db2.gz QYJGOMYYYJRJCB-RUZDIDTESA-N 0 0 501.635 3.970 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccccc4)CC3)cc2c1 ZINC000020080556 553678825 /nfs/dbraw/zinc/67/88/25/553678825.db2.gz QYJGOMYYYJRJCB-VWLOTQADSA-N 0 0 501.635 3.970 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000020080564 553679055 /nfs/dbraw/zinc/67/90/55/553679055.db2.gz UGBHPEYOUZDQAX-AREMUKBSSA-N 0 0 531.661 3.979 40 0 KHABRN CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000020080566 553679050 /nfs/dbraw/zinc/67/90/50/553679050.db2.gz UGBHPEYOUZDQAX-SANMLTNESA-N 0 0 531.661 3.979 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC ZINC000020080590 553679044 /nfs/dbraw/zinc/67/90/44/553679044.db2.gz JQCNBQAQFMSUMU-HHHXNRCGSA-N 0 0 508.582 3.728 40 0 KHABRN COc1cc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC ZINC000020080594 553679077 /nfs/dbraw/zinc/67/90/77/553679077.db2.gz JQCNBQAQFMSUMU-MHZLTWQESA-N 0 0 508.582 3.728 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC ZINC000020080597 553679092 /nfs/dbraw/zinc/67/90/92/553679092.db2.gz ZMGZMMFBUNFKJQ-HHHXNRCGSA-N 0 0 526.572 3.867 40 0 KHABRN COc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC ZINC000020080599 553679155 /nfs/dbraw/zinc/67/91/55/553679155.db2.gz ZMGZMMFBUNFKJQ-MHZLTWQESA-N 0 0 526.572 3.867 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080736 553679484 /nfs/dbraw/zinc/67/94/84/553679484.db2.gz MTFNUPGAZBXMNN-HHHXNRCGSA-N 0 0 529.645 3.949 40 0 KHABRN COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080739 553679393 /nfs/dbraw/zinc/67/93/93/553679393.db2.gz MTFNUPGAZBXMNN-MHZLTWQESA-N 0 0 529.645 3.949 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000020080754 553679479 /nfs/dbraw/zinc/67/94/79/553679479.db2.gz BUNZRXRSECCQGW-VWLOTQADSA-N 0 0 517.634 3.589 40 0 KHABRN CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2)CC1 ZINC000020080758 553679406 /nfs/dbraw/zinc/67/94/06/553679406.db2.gz BUNZRXRSECCQGW-RUZDIDTESA-N 0 0 517.634 3.589 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000020080761 553679508 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ZINC000021578452 553713829 /nfs/dbraw/zinc/71/38/29/553713829.db2.gz FCVYNYJOXFGZPP-UHFFFAOYSA-N 0 0 506.049 3.960 40 0 KHABRN O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SCC(=O)C2C(=O)OC(c1ccccc1)c1ccccc1 ZINC000021991802 553722642 /nfs/dbraw/zinc/72/26/42/553722642.db2.gz HJINVAQLVZRFTL-WNCULLNHSA-N 0 0 500.576 3.731 40 0 KHABRN O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H]1SCC(=O)C2C(=O)OC(c1ccccc1)c1ccccc1 ZINC000021991805 553722672 /nfs/dbraw/zinc/72/26/72/553722672.db2.gz HJINVAQLVZRFTL-KCWPFWIISA-N 0 0 500.576 3.731 40 0 KHABRN C[C@H](c1nc2ccccc2c(N2CCOCC2)n1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022053317 553724527 /nfs/dbraw/zinc/72/45/27/553724527.db2.gz BVDPCYXVBAWXLL-OAQYLSRUSA-N 0 0 523.703 3.831 40 0 KHABRN C[C@@H](c1nc2ccccc2c(N2CCOCC2)n1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022053322 553724787 /nfs/dbraw/zinc/72/47/87/553724787.db2.gz BVDPCYXVBAWXLL-NRFANRHFSA-N 0 0 523.703 3.831 40 0 KHABRN C[C@H](c1nc2ccccc2c(N2CCCCC2)n1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000022053345 553724799 /nfs/dbraw/zinc/72/47/99/553724799.db2.gz KONBRQXMOZLPQK-JOCHJYFZSA-N 0 0 531.686 3.873 40 0 KHABRN C[C@@H](c1nc2ccccc2c(N2CCCCC2)n1)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000022053350 553724764 /nfs/dbraw/zinc/72/47/64/553724764.db2.gz KONBRQXMOZLPQK-QFIPXVFZSA-N 0 0 531.686 3.873 40 0 KHABRN CC(C)c1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053382 553724775 /nfs/dbraw/zinc/72/47/75/553724775.db2.gz QZYBTDWWMPLSAZ-NRFANRHFSA-N 0 0 509.676 3.657 40 0 KHABRN CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053387 553724798 /nfs/dbraw/zinc/72/47/98/553724798.db2.gz QZYBTDWWMPLSAZ-OAQYLSRUSA-N 0 0 509.676 3.657 40 0 KHABRN CCCCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053403 553724795 /nfs/dbraw/zinc/72/47/95/553724795.db2.gz SBCSCIGQUOEKIB-QFIPXVFZSA-N 0 0 523.703 3.877 40 0 KHABRN CCCCc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(N4CCOCC4)n3)CC2)cc1 ZINC000022053408 553724759 /nfs/dbraw/zinc/72/47/59/553724759.db2.gz SBCSCIGQUOEKIB-JOCHJYFZSA-N 0 0 523.703 3.877 40 0 KHABRN COc1cc(CNn2c(=S)[nH]nc2-c2ccncc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022111432 553727076 /nfs/dbraw/zinc/72/70/76/553727076.db2.gz GTFIOWQFFJEZIH-UHFFFAOYSA-N 0 0 501.576 3.618 40 0 KHABRN O=S(=O)(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000022227752 553727681 /nfs/dbraw/zinc/72/76/81/553727681.db2.gz JFXRDDHKOVYRDN-UHFFFAOYSA-N 0 0 501.468 3.581 40 0 KHABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000022227925 553727649 /nfs/dbraw/zinc/72/76/49/553727649.db2.gz XVORIOAARAXUFH-UHFFFAOYSA-N 0 0 501.070 3.871 40 0 KHABRN CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1Cl ZINC000022227962 553727712 /nfs/dbraw/zinc/72/77/12/553727712.db2.gz UGPHGKGHEKQLGY-UHFFFAOYSA-N 0 0 501.070 3.871 40 0 KHABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022229078 553727673 /nfs/dbraw/zinc/72/76/73/553727673.db2.gz MTHUZDHYNXAPRQ-UHFFFAOYSA-N 0 0 517.957 3.831 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022229086 553727664 /nfs/dbraw/zinc/72/76/64/553727664.db2.gz BLUGWOLAJKJZRF-UHFFFAOYSA-N 0 0 505.946 3.687 40 0 KHABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022229204 553727709 /nfs/dbraw/zinc/72/77/09/553727709.db2.gz DXOZXRFRYSRFLZ-UHFFFAOYSA-N 0 0 507.612 3.951 40 0 KHABRN O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022229370 553727916 /nfs/dbraw/zinc/72/79/16/553727916.db2.gz HEIAWGOWVSVTOK-UHFFFAOYSA-N 0 0 521.639 3.738 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000022229376 553727933 /nfs/dbraw/zinc/72/79/33/553727933.db2.gz QQOVZWUUGWKFQN-UHFFFAOYSA-N 0 0 509.628 3.594 40 0 KHABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000022230308 553727962 /nfs/dbraw/zinc/72/79/62/553727962.db2.gz ROMBTKSKWSFVDP-OAQYLSRUSA-N 0 0 511.566 3.524 40 0 KHABRN COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000022230311 553727982 /nfs/dbraw/zinc/72/79/82/553727982.db2.gz ROMBTKSKWSFVDP-NRFANRHFSA-N 0 0 511.566 3.524 40 0 KHABRN Cc1cccc(N2CCN(C(=O)COc3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)CC2)c1C ZINC000022231396 553728206 /nfs/dbraw/zinc/72/82/06/553728206.db2.gz RDTPYVRQGARYRJ-UHFFFAOYSA-N 0 0 507.656 3.997 40 0 KHABRN CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022231400 553728194 /nfs/dbraw/zinc/72/81/94/553728194.db2.gz QURKAAIPJZCCCJ-MDWZMJQESA-N 0 0 519.667 3.889 40 0 KHABRN COc1ccc(CCNC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1OC ZINC000022231545 553728222 /nfs/dbraw/zinc/72/82/22/553728222.db2.gz TYBOOWVOFNLMTK-UHFFFAOYSA-N 0 0 512.628 3.716 40 0 KHABRN Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022231801 553728201 /nfs/dbraw/zinc/72/82/01/553728201.db2.gz CILDRHGMHUDBKJ-UHFFFAOYSA-N 0 0 507.656 3.684 40 0 KHABRN Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(c4ccccc4F)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022231807 553728238 /nfs/dbraw/zinc/72/82/38/553728238.db2.gz FNFLWSZOTIJWOY-UHFFFAOYSA-N 0 0 511.619 3.828 40 0 KHABRN Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022231810 553728278 /nfs/dbraw/zinc/72/82/78/553728278.db2.gz XYLKSFNKMXUYEI-UHFFFAOYSA-N 0 0 511.619 3.828 40 0 KHABRN COc1ccccc1N1CCN(C(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022231815 553728270 /nfs/dbraw/zinc/72/82/70/553728270.db2.gz RAWSDXFLQAFYEO-UHFFFAOYSA-N 0 0 523.655 3.697 40 0 KHABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000022232301 553728781 /nfs/dbraw/zinc/72/87/81/553728781.db2.gz LZRVUWRNKFBCND-UHFFFAOYSA-N 0 0 502.976 3.730 40 0 KHABRN COc1ccc(CCNC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1OC ZINC000022232513 553728721 /nfs/dbraw/zinc/72/87/21/553728721.db2.gz BRAYVQHOWFOACO-UHFFFAOYSA-N 0 0 516.591 3.547 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 ZINC000022232691 553728761 /nfs/dbraw/zinc/72/87/61/553728761.db2.gz NCBJLFFSZXILBT-UHFFFAOYSA-N 0 0 500.548 3.986 40 0 KHABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022232742 553729045 /nfs/dbraw/zinc/72/90/45/553729045.db2.gz XXKLGLQQCKNKRN-UHFFFAOYSA-N 0 0 511.619 3.515 40 0 KHABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000022232748 553728978 /nfs/dbraw/zinc/72/89/78/553728978.db2.gz IBMPYVFUMQUYSV-UHFFFAOYSA-N 0 0 515.582 3.659 40 0 KHABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022232751 553729060 /nfs/dbraw/zinc/72/90/60/553729060.db2.gz ATEWIAIHAQLQNA-UHFFFAOYSA-N 0 0 515.582 3.659 40 0 KHABRN COc1ccccc1N1CCN(C(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022232754 553729052 /nfs/dbraw/zinc/72/90/52/553729052.db2.gz VCYHLZSKQNMXCI-UHFFFAOYSA-N 0 0 527.618 3.528 40 0 KHABRN COc1ccc(CNC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1OC ZINC000022232890 553729076 /nfs/dbraw/zinc/72/90/76/553729076.db2.gz CUCKQVLNBIFZLB-UHFFFAOYSA-N 0 0 502.564 3.504 40 0 KHABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000022233238 553729224 /nfs/dbraw/zinc/72/92/24/553729224.db2.gz RJYCUFSMOQVTEL-UHFFFAOYSA-N 0 0 502.976 3.730 40 0 KHABRN COc1ccc(CCNC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1OC ZINC000022233454 553729455 /nfs/dbraw/zinc/72/94/55/553729455.db2.gz QMPFYFJIKSDGJG-UHFFFAOYSA-N 0 0 516.591 3.547 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 ZINC000022233646 553729561 /nfs/dbraw/zinc/72/95/61/553729561.db2.gz NUTUERLSDMFAIZ-UHFFFAOYSA-N 0 0 500.548 3.986 40 0 KHABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022233696 553729540 /nfs/dbraw/zinc/72/95/40/553729540.db2.gz DYOUNEICJUPWRU-UHFFFAOYSA-N 0 0 511.619 3.515 40 0 KHABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000022233703 553729429 /nfs/dbraw/zinc/72/94/29/553729429.db2.gz SFFNQYZZJXJIOO-UHFFFAOYSA-N 0 0 515.582 3.659 40 0 KHABRN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022233706 553729419 /nfs/dbraw/zinc/72/94/19/553729419.db2.gz HUQKJASYZAHMMW-UHFFFAOYSA-N 0 0 515.582 3.659 40 0 KHABRN COc1ccccc1N1CCN(C(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000022233709 553729497 /nfs/dbraw/zinc/72/94/97/553729497.db2.gz WFQBBVRLDCOGIT-UHFFFAOYSA-N 0 0 527.618 3.528 40 0 KHABRN COc1ccc(CNC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1OC ZINC000022233852 553729493 /nfs/dbraw/zinc/72/94/93/553729493.db2.gz NRRNXSJUCYPXPV-UHFFFAOYSA-N 0 0 502.564 3.504 40 0 KHABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022246344 553729514 /nfs/dbraw/zinc/72/95/14/553729514.db2.gz ANJMYJDKSCMVNP-XMMPIXPASA-N 0 0 517.573 3.944 40 0 KHABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022246347 553729445 /nfs/dbraw/zinc/72/94/45/553729445.db2.gz ANJMYJDKSCMVNP-DEOSSOPVSA-N 0 0 517.573 3.944 40 0 KHABRN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246379 553729556 /nfs/dbraw/zinc/72/95/56/553729556.db2.gz OYXLLIXWBNHRJZ-HXUWFJFHSA-N 0 0 513.443 3.685 40 0 KHABRN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000022246382 553729693 /nfs/dbraw/zinc/72/96/93/553729693.db2.gz OYXLLIXWBNHRJZ-FQEVSTJZSA-N 0 0 513.443 3.685 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000022246513 553729700 /nfs/dbraw/zinc/72/97/00/553729700.db2.gz FFDRGVNCSNXWDG-MHZLTWQESA-N 0 0 505.684 3.846 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000022246516 553729689 /nfs/dbraw/zinc/72/96/89/553729689.db2.gz FFDRGVNCSNXWDG-HHHXNRCGSA-N 0 0 505.684 3.846 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000022246525 553729687 /nfs/dbraw/zinc/72/96/87/553729687.db2.gz CSCJFOVIHMQKIS-VWLOTQADSA-N 0 0 509.647 3.989 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 ZINC000022246528 553729681 /nfs/dbraw/zinc/72/96/81/553729681.db2.gz CSCJFOVIHMQKIS-RUZDIDTESA-N 0 0 509.647 3.989 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000022246531 553729765 /nfs/dbraw/zinc/72/97/65/553729765.db2.gz PBJHUSCYNXUWDB-SANMLTNESA-N 0 0 509.647 3.989 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 ZINC000022246534 553729691 /nfs/dbraw/zinc/72/96/91/553729691.db2.gz PBJHUSCYNXUWDB-AREMUKBSSA-N 0 0 509.647 3.989 40 0 KHABRN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246543 553729771 /nfs/dbraw/zinc/72/97/71/553729771.db2.gz XGGFRMVGHVVILG-RUZDIDTESA-N 0 0 521.683 3.859 40 0 KHABRN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000022246545 553729762 /nfs/dbraw/zinc/72/97/62/553729762.db2.gz XGGFRMVGHVVILG-VWLOTQADSA-N 0 0 521.683 3.859 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000022246773 553730062 /nfs/dbraw/zinc/73/00/62/553730062.db2.gz LHXZOFRHACPRHF-VWLOTQADSA-N 0 0 528.074 3.583 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000022246776 553730106 /nfs/dbraw/zinc/73/01/06/553730106.db2.gz LHXZOFRHACPRHF-RUZDIDTESA-N 0 0 528.074 3.583 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000022246780 553730131 /nfs/dbraw/zinc/73/01/31/553730131.db2.gz KOJOCCNTXAADJG-DEOSSOPVSA-N 0 0 514.047 3.587 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000022246783 553730069 /nfs/dbraw/zinc/73/00/69/553730069.db2.gz KOJOCCNTXAADJG-XMMPIXPASA-N 0 0 514.047 3.587 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022246920 553730076 /nfs/dbraw/zinc/73/00/76/553730076.db2.gz HXAOKTPAQKWIFJ-DEOSSOPVSA-N 0 0 528.074 3.895 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022246923 553730301 /nfs/dbraw/zinc/73/03/01/553730301.db2.gz HXAOKTPAQKWIFJ-XMMPIXPASA-N 0 0 528.074 3.895 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000022246961 553730350 /nfs/dbraw/zinc/73/03/50/553730350.db2.gz FZVMAPDLUPTIMM-VWLOTQADSA-N 0 0 521.683 3.859 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000022246964 553730322 /nfs/dbraw/zinc/73/03/22/553730322.db2.gz FZVMAPDLUPTIMM-RUZDIDTESA-N 0 0 521.683 3.859 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022246968 553730264 /nfs/dbraw/zinc/73/02/64/553730264.db2.gz AUHBBJYXBMBARW-SPNSGGJLSA-N 0 0 533.694 3.751 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022246971 553730364 /nfs/dbraw/zinc/73/03/64/553730364.db2.gz AUHBBJYXBMBARW-WKMZLRSWSA-N 0 0 533.694 3.751 40 0 KHABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022247068 553730286 /nfs/dbraw/zinc/73/02/86/553730286.db2.gz GBWWHLKTGQUPMF-DEOSSOPVSA-N 0 0 502.011 3.718 40 0 KHABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022247071 553730371 /nfs/dbraw/zinc/73/03/71/553730371.db2.gz GBWWHLKTGQUPMF-XMMPIXPASA-N 0 0 502.011 3.718 40 0 KHABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022247136 553730229 /nfs/dbraw/zinc/73/02/29/553730229.db2.gz RRPCAMURMHHJHF-VYTBZZOSSA-N 0 0 507.631 3.573 40 0 KHABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022247138 553730358 /nfs/dbraw/zinc/73/03/58/553730358.db2.gz RRPCAMURMHHJHF-LDOPOZNOSA-N 0 0 507.631 3.573 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000022247242 553730555 /nfs/dbraw/zinc/73/05/55/553730555.db2.gz HKRAYAHEGGFCGH-VWLOTQADSA-N 0 0 528.074 3.895 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000022247245 553730649 /nfs/dbraw/zinc/73/06/49/553730649.db2.gz HKRAYAHEGGFCGH-RUZDIDTESA-N 0 0 528.074 3.895 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000022247283 553730666 /nfs/dbraw/zinc/73/06/66/553730666.db2.gz HEIXOKLFOBPKMB-SANMLTNESA-N 0 0 521.683 3.859 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000022247286 553730578 /nfs/dbraw/zinc/73/05/78/553730578.db2.gz HEIXOKLFOBPKMB-AREMUKBSSA-N 0 0 521.683 3.859 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000022247289 553730639 /nfs/dbraw/zinc/73/06/39/553730639.db2.gz QDMWIPQBATUEPQ-CWBDRXANSA-N 0 0 533.694 3.751 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000022247292 553730585 /nfs/dbraw/zinc/73/05/85/553730585.db2.gz QDMWIPQBATUEPQ-LZZUIANGSA-N 0 0 533.694 3.751 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000022247405 553730595 /nfs/dbraw/zinc/73/05/95/553730595.db2.gz MAOWAWBBDHAWCN-MHZLTWQESA-N 0 0 521.683 3.628 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000022247408 553730614 /nfs/dbraw/zinc/73/06/14/553730614.db2.gz MAOWAWBBDHAWCN-HHHXNRCGSA-N 0 0 521.683 3.628 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000022247411 553730671 /nfs/dbraw/zinc/73/06/71/553730671.db2.gz OKCIEGCOKJTXBC-SANMLTNESA-N 0 0 507.656 3.632 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000022247414 553730677 /nfs/dbraw/zinc/73/06/77/553730677.db2.gz OKCIEGCOKJTXBC-AREMUKBSSA-N 0 0 507.656 3.632 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1C ZINC000022247417 553730694 /nfs/dbraw/zinc/73/06/94/553730694.db2.gz QMUUMVDUWFUHSX-VWLOTQADSA-N 0 0 525.646 3.771 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1C ZINC000022247419 553730560 /nfs/dbraw/zinc/73/05/60/553730560.db2.gz QMUUMVDUWFUHSX-RUZDIDTESA-N 0 0 525.646 3.771 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000022247422 553730527 /nfs/dbraw/zinc/73/05/27/553730527.db2.gz FDFWCPKMCXYCST-SANMLTNESA-N 0 0 525.646 3.771 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000022247425 553730548 /nfs/dbraw/zinc/73/05/48/553730548.db2.gz FDFWCPKMCXYCST-AREMUKBSSA-N 0 0 525.646 3.771 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022247736 553730752 /nfs/dbraw/zinc/73/07/52/553730752.db2.gz UHBABUIQZFUBHK-SANMLTNESA-N 0 0 528.074 3.977 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022247738 553730758 /nfs/dbraw/zinc/73/07/58/553730758.db2.gz UHBABUIQZFUBHK-AREMUKBSSA-N 0 0 528.074 3.977 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000022247852 553730842 /nfs/dbraw/zinc/73/08/42/553730842.db2.gz IDPYCOOWHBJCSI-MHZLTWQESA-N 0 0 521.683 3.941 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000022247857 553731226 /nfs/dbraw/zinc/73/12/26/553731226.db2.gz IDPYCOOWHBJCSI-HHHXNRCGSA-N 0 0 521.683 3.941 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022247861 553731205 /nfs/dbraw/zinc/73/12/05/553731205.db2.gz VVFFSCFODBMEKK-PTIDKISKSA-N 0 0 533.694 3.833 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022247865 553731193 /nfs/dbraw/zinc/73/11/93/553731193.db2.gz VVFFSCFODBMEKK-XWIHLEKXSA-N 0 0 533.694 3.833 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000022247901 553731179 /nfs/dbraw/zinc/73/11/79/553731179.db2.gz MZHFVERSWNGVSV-CYFREDJKSA-N 0 0 512.628 3.870 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000022247905 553731183 /nfs/dbraw/zinc/73/11/83/553731183.db2.gz MZHFVERSWNGVSV-YADARESESA-N 0 0 512.628 3.870 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000022247910 553731222 /nfs/dbraw/zinc/73/12/22/553731222.db2.gz MZHFVERSWNGVSV-DVECYGJZSA-N 0 0 512.628 3.870 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000022247913 553731216 /nfs/dbraw/zinc/73/12/16/553731216.db2.gz MZHFVERSWNGVSV-NTKDMRAZSA-N 0 0 512.628 3.870 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000022248164 553731112 /nfs/dbraw/zinc/73/11/12/553731112.db2.gz JLRPEJKADCAOKJ-VWLOTQADSA-N 0 0 528.074 3.977 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl ZINC000022248168 553731229 /nfs/dbraw/zinc/73/12/29/553731229.db2.gz JLRPEJKADCAOKJ-RUZDIDTESA-N 0 0 528.074 3.977 40 0 KHABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022248891 553731450 /nfs/dbraw/zinc/73/14/50/553731450.db2.gz NNUISAOAEHKKOV-UHFFFAOYSA-N 0 0 500.448 3.752 40 0 KHABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000022249062 553731457 /nfs/dbraw/zinc/73/14/57/553731457.db2.gz JYYGLUFXVBRHTG-DHZHZOJOSA-N 0 0 506.068 3.607 40 0 KHABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000022250124 553731621 /nfs/dbraw/zinc/73/16/21/553731621.db2.gz UKAMKHWSVNTFHS-UHFFFAOYSA-N 0 0 517.003 3.957 40 0 KHABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000022250208 553731684 /nfs/dbraw/zinc/73/16/84/553731684.db2.gz CUYRLCRPYMOTIZ-UHFFFAOYSA-N 0 0 515.031 3.969 40 0 KHABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000022250400 553731680 /nfs/dbraw/zinc/73/16/80/553731680.db2.gz MHIDDPFYLZOZRS-UHFFFAOYSA-N 0 0 501.004 3.646 40 0 KHABRN COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253317 553731830 /nfs/dbraw/zinc/73/18/30/553731830.db2.gz MRHWHZGOFLOIEQ-UHFFFAOYSA-N 0 0 528.627 3.660 40 0 KHABRN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)c(OC)c1 ZINC000022253519 553731837 /nfs/dbraw/zinc/73/18/37/553731837.db2.gz WPPXGYUKIMOLAE-UHFFFAOYSA-N 0 0 500.573 3.940 40 0 KHABRN COc1ccc(OC)c(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000022253523 553731870 /nfs/dbraw/zinc/73/18/70/553731870.db2.gz AJTPUUFPFDITBZ-UHFFFAOYSA-N 0 0 500.573 3.940 40 0 KHABRN COc1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253528 553731863 /nfs/dbraw/zinc/73/18/63/553731863.db2.gz PSVKMMVPIHCHSE-UHFFFAOYSA-N 0 0 500.573 3.940 40 0 KHABRN COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253636 553731865 /nfs/dbraw/zinc/73/18/65/553731865.db2.gz BEAUTOLDEZCOLB-UHFFFAOYSA-N 0 0 523.655 3.628 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253641 553731896 /nfs/dbraw/zinc/73/18/96/553731896.db2.gz OSPPHVZHSUEPKU-UHFFFAOYSA-N 0 0 509.628 3.632 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253645 553732138 /nfs/dbraw/zinc/73/21/38/553732138.db2.gz CRLQVXXKONSWHS-UHFFFAOYSA-N 0 0 527.618 3.772 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253649 553732166 /nfs/dbraw/zinc/73/21/66/553732166.db2.gz LSIBNCKRILZLPW-UHFFFAOYSA-N 0 0 527.618 3.772 40 0 KHABRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253798 553732161 /nfs/dbraw/zinc/73/21/61/553732161.db2.gz COGWIQANFSFRCS-UHFFFAOYSA-N 0 0 514.600 3.617 40 0 KHABRN COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000022254093 553732356 /nfs/dbraw/zinc/73/23/56/553732356.db2.gz LLIJQDKHHVLZGH-UHFFFAOYSA-N 0 0 517.991 3.675 40 0 KHABRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022254339 553732589 /nfs/dbraw/zinc/73/25/89/553732589.db2.gz RDPASOXASLSIGB-UHFFFAOYSA-N 0 0 502.564 3.748 40 0 KHABRN COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022254355 553732602 /nfs/dbraw/zinc/73/26/02/553732602.db2.gz JEYVJNUQEIAKLB-UHFFFAOYSA-N 0 0 516.591 3.790 40 0 KHABRN COc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254518 553732662 /nfs/dbraw/zinc/73/26/62/553732662.db2.gz MGPQGVHEJHAXCJ-UHFFFAOYSA-N 0 0 502.520 3.790 40 0 KHABRN COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254523 553732635 /nfs/dbraw/zinc/73/26/35/553732635.db2.gz YDTITDOSVGJRQE-UHFFFAOYSA-N 0 0 516.547 3.833 40 0 KHABRN COC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254544 553732927 /nfs/dbraw/zinc/73/29/27/553732927.db2.gz CRFKXXHIDLTYJX-UHFFFAOYSA-N 0 0 516.547 3.848 40 0 KHABRN COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000022254548 553732889 /nfs/dbraw/zinc/73/28/89/553732889.db2.gz KLVZHNVQEHDMID-UHFFFAOYSA-N 0 0 516.547 3.848 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000022254611 553732905 /nfs/dbraw/zinc/73/29/05/553732905.db2.gz HKNKVOMTDWPDGH-UHFFFAOYSA-N 0 0 527.618 3.772 40 0 KHABRN COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000022254635 553732882 /nfs/dbraw/zinc/73/28/82/553732882.db2.gz JVEVARPOPBYRLW-UHFFFAOYSA-N 0 0 502.564 3.748 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C ZINC000022268194 553733678 /nfs/dbraw/zinc/73/36/78/553733678.db2.gz DKEULSJEMFHNEI-DEOSSOPVSA-N 0 0 526.655 3.659 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C ZINC000022268198 553733690 /nfs/dbraw/zinc/73/36/90/553733690.db2.gz DKEULSJEMFHNEI-XMMPIXPASA-N 0 0 526.655 3.659 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(OC)c(OC)c2)cc1C ZINC000022268677 553734156 /nfs/dbraw/zinc/73/41/56/553734156.db2.gz LUCDTYOCFKIXNY-QHCPKHFHSA-N 0 0 512.628 3.617 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(OC)c(OC)c2)cc1C ZINC000022268680 553734204 /nfs/dbraw/zinc/73/42/04/553734204.db2.gz LUCDTYOCFKIXNY-HSZRJFAPSA-N 0 0 512.628 3.617 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(OC)cc2)cc1Cl ZINC000022269388 553734196 /nfs/dbraw/zinc/73/41/96/553734196.db2.gz KUTRPPDTWZTZDO-QHCPKHFHSA-N 0 0 503.020 3.953 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(OC)cc2)cc1Cl ZINC000022269391 553734184 /nfs/dbraw/zinc/73/41/84/553734184.db2.gz KUTRPPDTWZTZDO-HSZRJFAPSA-N 0 0 503.020 3.953 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)cc2)cc1Cl ZINC000022269400 553734169 /nfs/dbraw/zinc/73/41/69/553734169.db2.gz GMWQAZRHMKQHHC-DEOSSOPVSA-N 0 0 517.047 3.996 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)cc2)cc1Cl ZINC000022269403 553734226 /nfs/dbraw/zinc/73/42/26/553734226.db2.gz GMWQAZRHMKQHHC-XMMPIXPASA-N 0 0 517.047 3.996 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000022269648 553734470 /nfs/dbraw/zinc/73/44/70/553734470.db2.gz HPWIGMRYFUFJKL-FQEVSTJZSA-N 0 0 502.976 3.996 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCO3)cc1Cl ZINC000022269651 553734487 /nfs/dbraw/zinc/73/44/87/553734487.db2.gz HPWIGMRYFUFJKL-HXUWFJFHSA-N 0 0 502.976 3.996 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000022269720 553734663 /nfs/dbraw/zinc/73/46/63/553734663.db2.gz AIOPQXQUDRAFLG-NRFANRHFSA-N 0 0 517.003 3.673 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000022269724 553734675 /nfs/dbraw/zinc/73/46/75/553734675.db2.gz AIOPQXQUDRAFLG-OAQYLSRUSA-N 0 0 517.003 3.673 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1Cl ZINC000022269738 553734693 /nfs/dbraw/zinc/73/46/93/553734693.db2.gz FHAMNXPXUVJNOT-QFIPXVFZSA-N 0 0 503.020 3.953 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccc2OC)cc1Cl ZINC000022269741 553734681 /nfs/dbraw/zinc/73/46/81/553734681.db2.gz FHAMNXPXUVJNOT-JOCHJYFZSA-N 0 0 503.020 3.953 40 0 KHABRN COc1ccc(OC)c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022276714 553735781 /nfs/dbraw/zinc/73/57/81/553735781.db2.gz DQFYYEYMNBFMKK-UHFFFAOYSA-N 0 0 500.573 3.863 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022281310 553736451 /nfs/dbraw/zinc/73/64/51/553736451.db2.gz UJGSWOSMOLDUEB-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000022281313 553736562 /nfs/dbraw/zinc/73/65/62/553736562.db2.gz UJGSWOSMOLDUEB-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022281717 553736577 /nfs/dbraw/zinc/73/65/77/553736577.db2.gz GLHXRRCHQRWYPC-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022281720 553736538 /nfs/dbraw/zinc/73/65/38/553736538.db2.gz GLHXRRCHQRWYPC-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1cc(C)cc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022282094 553736489 /nfs/dbraw/zinc/73/64/89/553736489.db2.gz XZKWFVBPWQIGNV-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022282098 553736568 /nfs/dbraw/zinc/73/65/68/553736568.db2.gz XZKWFVBPWQIGNV-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022282414 553736531 /nfs/dbraw/zinc/73/65/31/553736531.db2.gz KINQRWRXFPLYLF-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022282417 553736555 /nfs/dbraw/zinc/73/65/55/553736555.db2.gz KINQRWRXFPLYLF-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022303122 553736860 /nfs/dbraw/zinc/73/68/60/553736860.db2.gz QQUPHDSBFAAQDD-IBGZPJMESA-N 0 0 500.642 3.725 40 0 KHABRN CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022303125 553736836 /nfs/dbraw/zinc/73/68/36/553736836.db2.gz QQUPHDSBFAAQDD-LJQANCHMSA-N 0 0 500.642 3.725 40 0 KHABRN C[C@@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022303854 553736882 /nfs/dbraw/zinc/73/68/82/553736882.db2.gz RFWVPCHZKMYVMZ-QGZVFWFLSA-N 0 0 507.033 3.816 40 0 KHABRN C[C@H](NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022303856 553736822 /nfs/dbraw/zinc/73/68/22/553736822.db2.gz RFWVPCHZKMYVMZ-KRWDZBQOSA-N 0 0 507.033 3.816 40 0 KHABRN C[C@@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022304252 553736842 /nfs/dbraw/zinc/73/68/42/553736842.db2.gz HWNDBUOXQQPYEM-QGZVFWFLSA-N 0 0 507.033 3.816 40 0 KHABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022304258 553736834 /nfs/dbraw/zinc/73/68/34/553736834.db2.gz HWNDBUOXQQPYEM-KRWDZBQOSA-N 0 0 507.033 3.816 40 0 KHABRN C[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022304661 553736832 /nfs/dbraw/zinc/73/68/32/553736832.db2.gz NLDBGOXXRJBPJM-QGZVFWFLSA-N 0 0 507.033 3.816 40 0 KHABRN C[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022304665 553736845 /nfs/dbraw/zinc/73/68/45/553736845.db2.gz NLDBGOXXRJBPJM-KRWDZBQOSA-N 0 0 507.033 3.816 40 0 KHABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022306394 553736818 /nfs/dbraw/zinc/73/68/18/553736818.db2.gz SCNKXERWHPTTQV-IBGZPJMESA-N 0 0 516.641 3.562 40 0 KHABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000022306401 553736825 /nfs/dbraw/zinc/73/68/25/553736825.db2.gz SCNKXERWHPTTQV-LJQANCHMSA-N 0 0 516.641 3.562 40 0 KHABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022306978 553736824 /nfs/dbraw/zinc/73/68/24/553736824.db2.gz VLTSVHLCAIEPCA-IBGZPJMESA-N 0 0 516.641 3.562 40 0 KHABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022306988 553736874 /nfs/dbraw/zinc/73/68/74/553736874.db2.gz VLTSVHLCAIEPCA-LJQANCHMSA-N 0 0 516.641 3.562 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2C)cc1 ZINC000022316101 553737064 /nfs/dbraw/zinc/73/70/64/553737064.db2.gz FBNLLBZQDCWHRR-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2C)cc1 ZINC000022316105 553737181 /nfs/dbraw/zinc/73/71/81/553737181.db2.gz FBNLLBZQDCWHRR-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2cccc(C)c2)cc1 ZINC000022316576 553737081 /nfs/dbraw/zinc/73/70/81/553737081.db2.gz AUAOAOPBLQUZLW-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cccc(C)c2)cc1 ZINC000022316581 553737140 /nfs/dbraw/zinc/73/71/40/553737140.db2.gz AUAOAOPBLQUZLW-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022317070 553737104 /nfs/dbraw/zinc/73/71/04/553737104.db2.gz IVRSYDLXGPWNOE-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022317074 553737177 /nfs/dbraw/zinc/73/71/77/553737177.db2.gz IVRSYDLXGPWNOE-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2F)cc1 ZINC000022323905 553737375 /nfs/dbraw/zinc/73/73/75/553737375.db2.gz OXFJJJVTQAQPRL-GOSISDBHSA-N 0 0 504.605 3.610 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2F)cc1 ZINC000022323910 553737425 /nfs/dbraw/zinc/73/74/25/553737425.db2.gz OXFJJJVTQAQPRL-SFHVURJKSA-N 0 0 504.605 3.610 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc2)cc1 ZINC000022324375 553737421 /nfs/dbraw/zinc/73/74/21/553737421.db2.gz HNOWAWGWZGXXJD-GOSISDBHSA-N 0 0 504.605 3.610 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc2)cc1 ZINC000022324380 553737353 /nfs/dbraw/zinc/73/73/53/553737353.db2.gz HNOWAWGWZGXXJD-SFHVURJKSA-N 0 0 504.605 3.610 40 0 KHABRN C[C@@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022339209 553737756 /nfs/dbraw/zinc/73/77/56/553737756.db2.gz JBYOYOACWHKUGX-GOSISDBHSA-N 0 0 502.614 3.526 40 0 KHABRN C[C@H](NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022339213 553737765 /nfs/dbraw/zinc/73/77/65/553737765.db2.gz JBYOYOACWHKUGX-SFHVURJKSA-N 0 0 502.614 3.526 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022344395 553738108 /nfs/dbraw/zinc/73/81/08/553738108.db2.gz QSOYWWBSVUYXIR-GOSISDBHSA-N 0 0 504.605 3.610 40 0 KHABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022344401 553738087 /nfs/dbraw/zinc/73/80/87/553738087.db2.gz QSOYWWBSVUYXIR-SFHVURJKSA-N 0 0 504.605 3.610 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000022346718 553738014 /nfs/dbraw/zinc/73/80/14/553738014.db2.gz IMHCQMBMNTWGBR-IBGZPJMESA-N 0 0 516.641 3.562 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000022346722 553738056 /nfs/dbraw/zinc/73/80/56/553738056.db2.gz IMHCQMBMNTWGBR-LJQANCHMSA-N 0 0 516.641 3.562 40 0 KHABRN CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022347206 553738066 /nfs/dbraw/zinc/73/80/66/553738066.db2.gz XNGQPSNKYOUGJK-IBGZPJMESA-N 0 0 500.642 3.725 40 0 KHABRN CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022347213 553737978 /nfs/dbraw/zinc/73/79/78/553737978.db2.gz XNGQPSNKYOUGJK-LJQANCHMSA-N 0 0 500.642 3.725 40 0 KHABRN C[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022361609 553737972 /nfs/dbraw/zinc/73/79/72/553737972.db2.gz VCVNDQCOCSZANY-QGZVFWFLSA-N 0 0 507.033 3.816 40 0 KHABRN C[C@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022361611 553738054 /nfs/dbraw/zinc/73/80/54/553738054.db2.gz VCVNDQCOCSZANY-KRWDZBQOSA-N 0 0 507.033 3.816 40 0 KHABRN Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000022362334 553738318 /nfs/dbraw/zinc/73/83/18/553738318.db2.gz LOKDVXKRHTWNGO-HXUWFJFHSA-N 0 0 500.642 3.780 40 0 KHABRN Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000022362336 553738295 /nfs/dbraw/zinc/73/82/95/553738295.db2.gz LOKDVXKRHTWNGO-FQEVSTJZSA-N 0 0 500.642 3.780 40 0 KHABRN C[C@@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022365496 553738327 /nfs/dbraw/zinc/73/83/27/553738327.db2.gz KQSJNAVVOWNXBJ-LLVKDONJSA-N 0 0 513.852 3.694 40 0 KHABRN C[C@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022365500 553738313 /nfs/dbraw/zinc/73/83/13/553738313.db2.gz KQSJNAVVOWNXBJ-NSHDSACASA-N 0 0 513.852 3.694 40 0 KHABRN C[C@@H](NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022427703 553738638 /nfs/dbraw/zinc/73/86/38/553738638.db2.gz KCAWXDYAWIHPHI-GOSISDBHSA-N 0 0 502.614 3.526 40 0 KHABRN C[C@H](NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000022427705 553738557 /nfs/dbraw/zinc/73/85/57/553738557.db2.gz KCAWXDYAWIHPHI-SFHVURJKSA-N 0 0 502.614 3.526 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(=O)(=O)c2ccccc2)c1 ZINC000022428869 553739212 /nfs/dbraw/zinc/73/92/12/553739212.db2.gz VOGSLYYXHIAQPG-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000022428916 553739193 /nfs/dbraw/zinc/73/91/93/553739193.db2.gz QEMQRMSVANSBHW-UHFFFAOYSA-N 0 0 509.584 3.665 40 0 KHABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022429004 553739562 /nfs/dbraw/zinc/73/95/62/553739562.db2.gz DVXWVWDGEXCPMQ-GOSISDBHSA-N 0 0 514.600 3.794 40 0 KHABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022429007 553739569 /nfs/dbraw/zinc/73/95/69/553739569.db2.gz DVXWVWDGEXCPMQ-SFHVURJKSA-N 0 0 514.600 3.794 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000022429027 553739450 /nfs/dbraw/zinc/73/94/50/553739450.db2.gz QWBBYTIPLRVOCV-UHFFFAOYSA-N 0 0 509.584 3.665 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431343 553741333 /nfs/dbraw/zinc/74/13/33/553741333.db2.gz JAJWRFYCUHDKCB-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431347 553741381 /nfs/dbraw/zinc/74/13/81/553741381.db2.gz IRJUSBQWOQRWKG-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431385 553741277 /nfs/dbraw/zinc/74/12/77/553741277.db2.gz MWRMFZQETMUAAQ-UHFFFAOYSA-N 0 0 523.611 3.973 40 0 KHABRN COc1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022431403 553741301 /nfs/dbraw/zinc/74/13/01/553741301.db2.gz XRMFESAQFSMEIM-UHFFFAOYSA-N 0 0 514.600 3.541 40 0 KHABRN COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022431409 553741351 /nfs/dbraw/zinc/74/13/51/553741351.db2.gz LDUIUNPLOQVEKO-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022431412 553741260 /nfs/dbraw/zinc/74/12/60/553741260.db2.gz FLLFOTVIHMXKOW-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccc(C)cc2)cc1OC ZINC000022508676 553742996 /nfs/dbraw/zinc/74/29/96/553742996.db2.gz ONOLGBRUIJRCRW-UHFFFAOYSA-N 0 0 523.611 3.973 40 0 KHABRN O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022514841 553743690 /nfs/dbraw/zinc/74/36/90/553743690.db2.gz BCQBJEFSCSIXBQ-UHFFFAOYSA-N 0 0 514.003 3.828 40 0 KHABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1OC ZINC000022515830 553743585 /nfs/dbraw/zinc/74/35/85/553743585.db2.gz DGWVKTNLSSHEEI-GOSISDBHSA-N 0 0 512.584 3.548 40 0 KHABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1OC ZINC000022515835 553743677 /nfs/dbraw/zinc/74/36/77/553743677.db2.gz DGWVKTNLSSHEEI-SFHVURJKSA-N 0 0 512.584 3.548 40 0 KHABRN CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)Oc2ccc(Cl)cc21 ZINC000022524741 553744477 /nfs/dbraw/zinc/74/44/77/553744477.db2.gz CPNNLJFURGOCQO-QHCPKHFHSA-N 0 0 504.967 3.902 40 0 KHABRN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)Oc2ccc(Cl)cc21 ZINC000022524745 553744484 /nfs/dbraw/zinc/74/44/84/553744484.db2.gz CPNNLJFURGOCQO-HSZRJFAPSA-N 0 0 504.967 3.902 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccccc2OC)cc1 ZINC000022527430 553744940 /nfs/dbraw/zinc/74/49/40/553744940.db2.gz DDZIDDRXRNVHCS-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)N(C)Cc2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000022527725 553745203 /nfs/dbraw/zinc/74/52/03/553745203.db2.gz XRFRXSOUSWOEAT-UHFFFAOYSA-N 0 0 528.627 3.883 40 0 KHABRN Cc1nccn1-c1ccccc1CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000022527928 553745183 /nfs/dbraw/zinc/74/51/83/553745183.db2.gz JHFUNFXQNHOKGL-UHFFFAOYSA-N 0 0 500.930 3.935 40 0 KHABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000022528258 553745137 /nfs/dbraw/zinc/74/51/37/553745137.db2.gz AQDUCKOIQXJVGU-SANMLTNESA-N 0 0 502.596 3.595 40 0 KHABRN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)Cc3ccccc3)c3ccccc3O2)cc1 ZINC000022528264 553745194 /nfs/dbraw/zinc/74/51/94/553745194.db2.gz AQDUCKOIQXJVGU-AREMUKBSSA-N 0 0 502.596 3.595 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000022528397 553745220 /nfs/dbraw/zinc/74/52/20/553745220.db2.gz QUVVLDWDPNCNQN-UHFFFAOYSA-N 0 0 513.641 3.974 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c(Cl)c1 ZINC000022528438 553745144 /nfs/dbraw/zinc/74/51/44/553745144.db2.gz WOEYGOICBYJMQF-UHFFFAOYSA-N 0 0 503.802 3.992 40 0 KHABRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000022528489 553745171 /nfs/dbraw/zinc/74/51/71/553745171.db2.gz XCHOGEPHKOJKAN-UHFFFAOYSA-N 0 0 520.032 3.594 40 0 KHABRN COC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc(C(=O)OC)c1 ZINC000022528967 553745199 /nfs/dbraw/zinc/74/51/99/553745199.db2.gz WDBDPVGDPJUFAS-UHFFFAOYSA-N 0 0 502.932 3.966 40 0 KHABRN O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000022531538 553745415 /nfs/dbraw/zinc/74/54/15/553745415.db2.gz CFEFOBAGRIMBAM-UHFFFAOYSA-N 0 0 520.449 3.756 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1OC ZINC000022531668 553745421 /nfs/dbraw/zinc/74/54/21/553745421.db2.gz ZGTHPYCLMWYBQL-UHFFFAOYSA-N 0 0 509.584 3.908 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000022535665 553746047 /nfs/dbraw/zinc/74/60/47/553746047.db2.gz XWAHEHAISMJUII-IBGZPJMESA-N 0 0 500.592 3.954 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000022535668 553746071 /nfs/dbraw/zinc/74/60/71/553746071.db2.gz XWAHEHAISMJUII-LJQANCHMSA-N 0 0 500.592 3.954 40 0 KHABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000022535676 553746064 /nfs/dbraw/zinc/74/60/64/553746064.db2.gz ZSQZPUKWQCSKCL-KRWDZBQOSA-N 0 0 502.564 3.924 40 0 KHABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000022535680 553746037 /nfs/dbraw/zinc/74/60/37/553746037.db2.gz ZSQZPUKWQCSKCL-QGZVFWFLSA-N 0 0 502.564 3.924 40 0 KHABRN 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LWBWCFWSOINABS-UHFFFAOYSA-N 0 0 531.700 3.660 40 0 KHABRN CSc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1C(=O)N1CCCCCC1 ZINC000026120345 553817528 /nfs/dbraw/zinc/81/75/28/553817528.db2.gz KEMGYDOBEKLAJB-UHFFFAOYSA-N 0 0 511.691 3.621 40 0 KHABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc(C(=O)OC)c1 ZINC000026120745 553817776 /nfs/dbraw/zinc/81/77/76/553817776.db2.gz DPONWANYUNUGFU-UHFFFAOYSA-N 0 0 520.629 3.799 40 0 KHABRN COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1 ZINC000026267226 553818261 /nfs/dbraw/zinc/81/82/61/553818261.db2.gz BKVIWGRFRKLFIO-UHFFFAOYSA-N 0 0 554.109 3.743 40 0 in-vitro KHABRN COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000026464659 553818509 /nfs/dbraw/zinc/81/85/09/553818509.db2.gz BARWTURYWRLQGB-VCHYOVAHSA-N 0 0 504.948 3.884 40 0 KHABRN O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000026532477 553819110 /nfs/dbraw/zinc/81/91/10/553819110.db2.gz QMDRHQJDKPHLQF-ZHZULCJRSA-N 0 0 512.638 3.889 40 0 KHABRN CCN(CC)S(=O)(=O)c1cccc(N[C@@H](NC(=O)OC[C@@H]2CCCO2)C(Cl)(Cl)Cl)c1 ZINC000026779969 553821156 /nfs/dbraw/zinc/82/11/56/553821156.db2.gz JNJPDHZJXJKUFK-HOCLYGCPSA-N 0 0 502.848 3.731 40 0 KHABRN CCN(CC)S(=O)(=O)c1cccc(N[C@H](NC(=O)OC[C@@H]2CCCO2)C(Cl)(Cl)Cl)c1 ZINC000026779971 553821272 /nfs/dbraw/zinc/82/12/72/553821272.db2.gz JNJPDHZJXJKUFK-GOEBONIOSA-N 0 0 502.848 3.731 40 0 KHABRN CCN(CC)S(=O)(=O)c1cccc(N[C@@H](NC(=O)OC[C@H]2CCCO2)C(Cl)(Cl)Cl)c1 ZINC000026779972 553821342 /nfs/dbraw/zinc/82/13/42/553821342.db2.gz JNJPDHZJXJKUFK-ZBFHGGJFSA-N 0 0 502.848 3.731 40 0 KHABRN CCN(CC)S(=O)(=O)c1cccc(N[C@H](NC(=O)OC[C@H]2CCCO2)C(Cl)(Cl)Cl)c1 ZINC000026779974 553821238 /nfs/dbraw/zinc/82/12/38/553821238.db2.gz JNJPDHZJXJKUFK-GDBMZVCRSA-N 0 0 502.848 3.731 40 0 KHABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000026780083 553821182 /nfs/dbraw/zinc/82/11/82/553821182.db2.gz ZWTFDXNIWXCAOD-UHFFFAOYSA-N 0 0 513.641 3.939 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 ZINC000027061935 553824881 /nfs/dbraw/zinc/82/48/81/553824881.db2.gz UIJQUQJFHADFNK-QHCPKHFHSA-N 0 0 505.502 3.764 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1 ZINC000027061939 553824876 /nfs/dbraw/zinc/82/48/76/553824876.db2.gz UIJQUQJFHADFNK-HSZRJFAPSA-N 0 0 505.502 3.764 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000027100748 1066881681 /nfs/dbraw/zinc/88/16/81/1066881681.db2.gz XEEGYQLPKBVTON-JOCHJYFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000027100753 1066881671 /nfs/dbraw/zinc/88/16/71/1066881671.db2.gz XEEGYQLPKBVTON-QFIPXVFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000027100775 1066881654 /nfs/dbraw/zinc/88/16/54/1066881654.db2.gz HCTIJBNEXWFTSN-NBGIEHNGSA-N 0 0 508.640 3.957 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000027100781 1066881544 /nfs/dbraw/zinc/88/15/44/1066881544.db2.gz HCTIJBNEXWFTSN-CPJSRVTESA-N 0 0 508.640 3.957 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2Cl)cc1OC ZINC000027100803 1066881644 /nfs/dbraw/zinc/88/16/44/1066881644.db2.gz FXKWPNXZEUJZOS-JOCHJYFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2Cl)cc1OC ZINC000027100809 1066881636 /nfs/dbraw/zinc/88/16/36/1066881636.db2.gz FXKWPNXZEUJZOS-QFIPXVFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2ccccc2Cl)c1 ZINC000027100814 1066881662 /nfs/dbraw/zinc/88/16/62/1066881662.db2.gz MGVHUCKSRFWUCV-JOCHJYFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2ccccc2Cl)c1 ZINC000027100820 1066881777 /nfs/dbraw/zinc/88/17/77/1066881777.db2.gz MGVHUCKSRFWUCV-QFIPXVFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2cccc(Cl)c2)cc1OC ZINC000027100824 1066881724 /nfs/dbraw/zinc/88/17/24/1066881724.db2.gz OIVJBTMVOGRRDI-JOCHJYFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2cccc(Cl)c2)cc1OC ZINC000027100829 1066881711 /nfs/dbraw/zinc/88/17/11/1066881711.db2.gz OIVJBTMVOGRRDI-QFIPXVFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCc2cccc(Cl)c2)c1 ZINC000027100834 1066881786 /nfs/dbraw/zinc/88/17/86/1066881786.db2.gz ALYRIVJLTBFNKO-JOCHJYFZSA-N 0 0 501.004 3.789 40 0 KHABRN COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc2cccc(Cl)c2)c1 ZINC000027100836 1066881525 /nfs/dbraw/zinc/88/15/25/1066881525.db2.gz ALYRIVJLTBFNKO-QFIPXVFZSA-N 0 0 501.004 3.789 40 0 KHABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1C(=O)N=C(C)C(C(=O)OCC)[C@H]1c1ccccc1 ZINC000027232016 553825200 /nfs/dbraw/zinc/82/52/00/553825200.db2.gz JAYFOFFNNPAGBT-OAQYLSRUSA-N 0 0 527.599 3.978 40 0 KHABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN1C(=O)N=C(C)C(C(=O)OCC)[C@@H]1c1ccccc1 ZINC000027232023 553825245 /nfs/dbraw/zinc/82/52/45/553825245.db2.gz JAYFOFFNNPAGBT-NRFANRHFSA-N 0 0 527.599 3.978 40 0 KHABRN CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645362 553835731 /nfs/dbraw/zinc/83/57/31/553835731.db2.gz PVGJCQKBOXAJIF-UAALDITOSA-N 0 0 510.697 3.516 40 0 in-vitro KHABRN CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645366 553835808 /nfs/dbraw/zinc/83/58/08/553835808.db2.gz PVGJCQKBOXAJIF-MDPGNMDUSA-N 0 0 510.697 3.516 40 0 in-vitro KHABRN CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645373 553835782 /nfs/dbraw/zinc/83/57/82/553835782.db2.gz PVGJCQKBOXAJIF-VZGHIJQOSA-N 0 0 510.697 3.516 40 0 in-vitro KHABRN CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@H]([NH3+])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)OC ZINC000027645380 553835788 /nfs/dbraw/zinc/83/57/88/553835788.db2.gz PVGJCQKBOXAJIF-FGSIDSNESA-N 0 0 510.697 3.516 40 0 in-vitro KHABRN CCOC(=O)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000027914627 553836744 /nfs/dbraw/zinc/83/67/44/553836744.db2.gz XQFPFBRJBZPLST-UHFFFAOYSA-N 0 0 503.964 3.696 40 0 KHABRN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC2N=NC(=S)N2c2ccccc2Cl)cc1 ZINC000028048129 1066881743 /nfs/dbraw/zinc/88/17/43/1066881743.db2.gz PQOQOVFQWUOXRK-UHFFFAOYSA-N 0 0 508.069 3.950 40 0 KHABRN Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000028207522 553838056 /nfs/dbraw/zinc/83/80/56/553838056.db2.gz AWHGEUAXWSJXGJ-UHFFFAOYSA-N 0 0 507.656 3.558 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2)c(C)c1 ZINC000028207684 553838137 /nfs/dbraw/zinc/83/81/37/553838137.db2.gz FBZNZNWBHJLVLR-UHFFFAOYSA-N 0 0 502.374 3.648 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000028208019 553838078 /nfs/dbraw/zinc/83/80/78/553838078.db2.gz PHIFIUJMMSZKLX-UHFFFAOYSA-N 0 0 528.074 3.903 40 0 KHABRN CCCN(c1ccc2sc(C(=O)NCCN3CCOCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000028209371 553838954 /nfs/dbraw/zinc/83/89/54/553838954.db2.gz AVJXHDSRZLFOGZ-UHFFFAOYSA-N 0 0 501.674 3.877 40 0 KHABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028209585 553838899 /nfs/dbraw/zinc/83/88/99/553838899.db2.gz AFBIUOARVBEKOJ-AREMUKBSSA-N 0 0 517.651 3.609 40 0 KHABRN Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028209588 553838988 /nfs/dbraw/zinc/83/89/88/553838988.db2.gz AFBIUOARVBEKOJ-SANMLTNESA-N 0 0 517.651 3.609 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000028296193 1066881728 /nfs/dbraw/zinc/88/17/28/1066881728.db2.gz UUHVDKLPINKQBB-XSZPGNIMSA-N 0 0 516.598 3.740 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000028296194 1066881691 /nfs/dbraw/zinc/88/16/91/1066881691.db2.gz UUHVDKLPINKQBB-XXMKCSCWSA-N 0 0 516.598 3.740 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000028296226 553841782 /nfs/dbraw/zinc/84/17/82/553841782.db2.gz BVCYBPNTBKTNBG-VOMPUTFMSA-N 0 0 501.377 3.700 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000028296228 553841839 /nfs/dbraw/zinc/84/18/39/553841839.db2.gz BVCYBPNTBKTNBG-YWFITGJYSA-N 0 0 501.377 3.700 40 0 KHABRN O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000028393527 553841762 /nfs/dbraw/zinc/84/17/62/553841762.db2.gz FEERXCVFQAXCNL-GDLZYMKVSA-N 0 0 570.706 3.606 40 0 KHABRN O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(CCCN1CCOCC1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000028393532 553841853 /nfs/dbraw/zinc/84/18/53/553841853.db2.gz FEERXCVFQAXCNL-LJAQVGFWSA-N 0 0 570.706 3.606 40 0 KHABRN COc1ccc(/C=c2/sc3n(c2=O)[C@H]2c4ccccc4O[C@@](C)(N=3)[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000028627796 553843081 /nfs/dbraw/zinc/84/30/81/553843081.db2.gz 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553844019 /nfs/dbraw/zinc/84/40/19/553844019.db2.gz HSDIXYSRIPFKEK-HLADLETHSA-N 0 0 620.732 3.705 40 0 KHABRN C[C@@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000029492001 553845513 /nfs/dbraw/zinc/84/55/13/553845513.db2.gz LVEHVGKXFSITEH-QHCPKHFHSA-N 0 0 620.753 3.885 40 0 KHABRN C[C@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000029492004 553845560 /nfs/dbraw/zinc/84/55/60/553845560.db2.gz LVEHVGKXFSITEH-HSZRJFAPSA-N 0 0 620.753 3.885 40 0 KHABRN CN(c1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000029492010 553845475 /nfs/dbraw/zinc/84/54/75/553845475.db2.gz SYNTWNGRDUCHQM-UHFFFAOYSA-N 0 0 632.764 3.935 40 0 KHABRN Cc1c(NS(=O)(=O)c2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3cccc4c3c2NC4=O)c(=O)n(-c2ccccc2)n1C ZINC000029747568 553848245 /nfs/dbraw/zinc/84/82/45/553848245.db2.gz QYJJRSHHFOZRKP-UHFFFAOYSA-N 0 0 699.771 3.603 40 0 KHABRN 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ZINC000032640194 553871610 /nfs/dbraw/zinc/87/16/10/553871610.db2.gz RTQYOGJZJGRJJU-OALUTQOASA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C ZINC000032640195 553871637 /nfs/dbraw/zinc/87/16/37/553871637.db2.gz RTQYOGJZJGRJJU-RTBURBONSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640196 553871587 /nfs/dbraw/zinc/87/15/87/553871587.db2.gz RTQYOGJZJGRJJU-MOPGFXCFSA-N 0 0 508.463 3.779 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000032640197 553871858 /nfs/dbraw/zinc/87/18/58/553871858.db2.gz WLVGSXGHTIPVHE-DLBZAZTESA-N 0 0 514.854 3.816 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000032640198 553871896 /nfs/dbraw/zinc/87/18/96/553871896.db2.gz WLVGSXGHTIPVHE-IRXDYDNUSA-N 0 0 514.854 3.816 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000032640199 553871825 /nfs/dbraw/zinc/87/18/25/553871825.db2.gz WLVGSXGHTIPVHE-IAGOWNOFSA-N 0 0 514.854 3.816 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000032640200 553871885 /nfs/dbraw/zinc/87/18/85/553871885.db2.gz WLVGSXGHTIPVHE-SJORKVTESA-N 0 0 514.854 3.816 40 0 KHABRN Cc1ccc(C)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640201 553871880 /nfs/dbraw/zinc/87/18/80/553871880.db2.gz RLWWHQGSZDOSRD-PKOBYXMFSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(C)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640202 553871872 /nfs/dbraw/zinc/87/18/72/553871872.db2.gz RLWWHQGSZDOSRD-HKUYNNGSSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(C)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640203 553871912 /nfs/dbraw/zinc/87/19/12/553871912.db2.gz RLWWHQGSZDOSRD-IEBWSBKVSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(C)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640204 553871889 /nfs/dbraw/zinc/87/18/89/553871889.db2.gz RLWWHQGSZDOSRD-MJGOQNOKSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640213 553871859 /nfs/dbraw/zinc/87/18/59/553871859.db2.gz JRZLIORMJPPWNA-PKOBYXMFSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640214 553871847 /nfs/dbraw/zinc/87/18/47/553871847.db2.gz JRZLIORMJPPWNA-HKUYNNGSSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640215 553871869 /nfs/dbraw/zinc/87/18/69/553871869.db2.gz JRZLIORMJPPWNA-IEBWSBKVSA-N 0 0 508.463 3.779 40 0 KHABRN Cc1ccc(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032640216 553871901 /nfs/dbraw/zinc/87/19/01/553871901.db2.gz JRZLIORMJPPWNA-MJGOQNOKSA-N 0 0 508.463 3.779 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000032640217 553871852 /nfs/dbraw/zinc/87/18/52/553871852.db2.gz VWCNZXVHQLGOAZ-DLBZAZTESA-N 0 0 514.854 3.816 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000032640218 553871842 /nfs/dbraw/zinc/87/18/42/553871842.db2.gz VWCNZXVHQLGOAZ-IRXDYDNUSA-N 0 0 514.854 3.816 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000032640219 553871892 /nfs/dbraw/zinc/87/18/92/553871892.db2.gz VWCNZXVHQLGOAZ-IAGOWNOFSA-N 0 0 514.854 3.816 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)Nc1ccc(Br)cc1 ZINC000032640220 553871904 /nfs/dbraw/zinc/87/19/04/553871904.db2.gz VWCNZXVHQLGOAZ-SJORKVTESA-N 0 0 514.854 3.816 40 0 KHABRN COc1ccc(OC)c(N2C(SCc3ccc(Br)cc3F)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640901 553872133 /nfs/dbraw/zinc/87/21/33/553872133.db2.gz MFRYANYCTYHQSB-FUHWJXTLSA-N 0 0 515.426 3.880 40 0 KHABRN COc1ccc(OC)c(N2C(SCc3ccc(Br)cc3F)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640902 553872114 /nfs/dbraw/zinc/87/21/14/553872114.db2.gz MFRYANYCTYHQSB-WMZOPIPTSA-N 0 0 515.426 3.880 40 0 KHABRN COc1ccc(OC)c(N2C(SCc3ccc(Br)cc3F)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640903 553872210 /nfs/dbraw/zinc/87/22/10/553872210.db2.gz MFRYANYCTYHQSB-SJLPKXTDSA-N 0 0 515.426 3.880 40 0 KHABRN COc1ccc(OC)c(N2C(SCc3ccc(Br)cc3F)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640904 553872098 /nfs/dbraw/zinc/87/20/98/553872098.db2.gz MFRYANYCTYHQSB-AEFFLSMTSA-N 0 0 515.426 3.880 40 0 KHABRN COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2)c1 ZINC000032966463 553882456 /nfs/dbraw/zinc/88/24/56/553882456.db2.gz MIGLHMZWNTYZNX-IDISGSTGSA-N 0 0 513.660 3.995 40 0 KHABRN CCCn1c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256589 553915596 /nfs/dbraw/zinc/91/55/96/553915596.db2.gz WTUQEPQCQNAWKN-UHFFFAOYSA-N 0 0 506.632 3.940 40 0 KHABRN CCCn1c2nnc(SCC(=O)NC3CCCCC3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033256635 553915535 /nfs/dbraw/zinc/91/55/35/553915535.db2.gz JKULDPVAOAJISY-UHFFFAOYSA-N 0 0 510.664 3.668 40 0 KHABRN Cc1ccc(NC(=O)CSc2nnc3n2c2cc(C(=O)NC(C)C)ccc2c(=O)n3CC(C)C)cc1 ZINC000033256683 553915612 /nfs/dbraw/zinc/91/56/12/553915612.db2.gz LYZDPLWQLCQBAS-UHFFFAOYSA-N 0 0 506.632 3.878 40 0 KHABRN Cc1ccc(CNC(=O)CSc2nnc3n2c2cc(C(=O)NC(C)C)ccc2c(=O)n3CC(C)C)cc1 ZINC000033256686 553915531 /nfs/dbraw/zinc/91/55/31/553915531.db2.gz GGHJXXHPMKAOEX-UHFFFAOYSA-N 0 0 520.659 3.555 40 0 KHABRN CC(C)Cn1c2nnc(SCC(=O)Nc3ccc(F)cc3)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256689 553915569 /nfs/dbraw/zinc/91/55/69/553915569.db2.gz YDHCHZXBIGOERB-UHFFFAOYSA-N 0 0 510.595 3.708 40 0 KHABRN Cc1ccccc1NC(=O)CSc1nnc2n1c1cc(C(=O)NC(C)C)ccc1c(=O)n2CC(C)C ZINC000033256690 553915609 /nfs/dbraw/zinc/91/56/09/553915609.db2.gz YQUZOQJLWWSHQE-UHFFFAOYSA-N 0 0 506.632 3.878 40 0 KHABRN Cc1cccc(NC(=O)CSc2nnc3n2c2cc(C(=O)NC(C)C)ccc2c(=O)n3CC(C)C)c1 ZINC000033256691 553915514 /nfs/dbraw/zinc/91/55/14/553915514.db2.gz UFBOIVYKDKIFBW-UHFFFAOYSA-N 0 0 506.632 3.878 40 0 KHABRN CC(C)Cn1c2nnc(SCC(=O)Nc3ccccc3F)n2c2cc(C(=O)NC(C)C)ccc2c1=O ZINC000033256693 553915559 /nfs/dbraw/zinc/91/55/59/553915559.db2.gz LRHIAHLYBYJMJE-UHFFFAOYSA-N 0 0 510.595 3.708 40 0 KHABRN Cn1c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033256832 553915954 /nfs/dbraw/zinc/91/59/54/553915954.db2.gz SQXYHWCQMXYDNX-UHFFFAOYSA-N 0 0 511.007 3.638 40 0 KHABRN Cc1cc(C)cc(NC(=O)CSc2nnc3n2c2cc(C(=O)NC4CCCC4)ccc2c(=O)n3C)c1 ZINC000033256836 553915925 /nfs/dbraw/zinc/91/59/25/553915925.db2.gz OCHKUMXNZPZHFK-UHFFFAOYSA-N 0 0 504.616 3.601 40 0 KHABRN Cn1c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000033256837 553915957 /nfs/dbraw/zinc/91/59/57/553915957.db2.gz LKGLMHZAJGVJJR-UHFFFAOYSA-N 0 0 511.007 3.638 40 0 KHABRN COc1ccc(CCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC ZINC000033371415 553957671 /nfs/dbraw/zinc/95/76/71/553957671.db2.gz NPRUKLWNPFGGLS-UHFFFAOYSA-N 0 0 512.628 3.571 40 0 KHABRN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 ZINC000033389729 553958093 /nfs/dbraw/zinc/95/80/93/553958093.db2.gz NJRRFAKUJWJQDY-UHFFFAOYSA-N 0 0 500.573 3.551 40 0 KHABRN COc1ccc(CC(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 ZINC000033408053 553959003 /nfs/dbraw/zinc/95/90/03/553959003.db2.gz DONMYCYQKUQWGK-AWEZNQCLSA-N 0 0 504.012 3.636 40 0 KHABRN COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)n2C)cc1 ZINC000033408055 553958971 /nfs/dbraw/zinc/95/89/71/553958971.db2.gz DONMYCYQKUQWGK-CQSZACIVSA-N 0 0 504.012 3.636 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000033432164 553959840 /nfs/dbraw/zinc/95/98/40/553959840.db2.gz WOJOWQGDHDMFIZ-LWUPDDLQSA-N 0 0 506.624 3.939 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000033432167 553959877 /nfs/dbraw/zinc/95/98/77/553959877.db2.gz WOJOWQGDHDMFIZ-GJFKPFFXSA-N 0 0 506.624 3.939 40 0 KHABRN COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000033497071 553961166 /nfs/dbraw/zinc/96/11/66/553961166.db2.gz WEXUYLAVZMJNTA-NJUMDKCDSA-N 0 0 516.642 3.991 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000033498387 553961518 /nfs/dbraw/zinc/96/15/18/553961518.db2.gz JKRDHPDHMJXWHW-RWTNITNYSA-N 0 0 510.587 3.733 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000033498389 553961492 /nfs/dbraw/zinc/96/14/92/553961492.db2.gz JKRDHPDHMJXWHW-MFUBYVTQSA-N 0 0 510.587 3.733 40 0 KHABRN Cc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)n(CC(=O)NCc3ccco3)c2=O)cc1 ZINC000033499668 553961439 /nfs/dbraw/zinc/96/14/39/553961439.db2.gz KSHVHEMWNGDXAM-HYPJJGMESA-N 0 0 514.647 3.917 40 0 KHABRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000033528464 553961822 /nfs/dbraw/zinc/96/18/22/553961822.db2.gz ZVXPEUKWBCRMBG-ZRDIBKRKSA-N 0 0 507.616 3.850 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000033579653 553963246 /nfs/dbraw/zinc/96/32/46/553963246.db2.gz IVIOLVZBOWXOCF-LWUPDDLQSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000033579655 553963213 /nfs/dbraw/zinc/96/32/13/553963213.db2.gz IVIOLVZBOWXOCF-GJFKPFFXSA-N 0 0 522.623 3.603 40 0 KHABRN CC(C)(C)C(=O)/C=c1/s/c(=C\c2c(F)cccc2Cl)c(=O)n1CC(=O)N1CCCc2ccccc21 ZINC000033620027 553964693 /nfs/dbraw/zinc/96/46/93/553964693.db2.gz FKOYFJHHTXURBB-WFUGUENRSA-N 0 0 513.034 3.906 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(O)c(OCC)c4)c(=O)n32)cc1 ZINC000033624154 553964851 /nfs/dbraw/zinc/96/48/51/553964851.db2.gz GMPMNJMEMHDDAS-XSZPGNIMSA-N 0 0 522.623 3.690 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(O)c(OCC)c4)c(=O)n32)cc1 ZINC000033624157 553964931 /nfs/dbraw/zinc/96/49/31/553964931.db2.gz GMPMNJMEMHDDAS-XXMKCSCWSA-N 0 0 522.623 3.690 40 0 KHABRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000033659844 553966454 /nfs/dbraw/zinc/96/64/54/553966454.db2.gz JFUPFZVPLGOWBQ-KDSDTBODSA-N 0 0 500.620 3.934 40 0 KHABRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000033659846 553966456 /nfs/dbraw/zinc/96/64/56/553966456.db2.gz JFUPFZVPLGOWBQ-FCYPAOMHSA-N 0 0 500.620 3.934 40 0 KHABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033700735 553968912 /nfs/dbraw/zinc/96/89/12/553968912.db2.gz RDKPGULDSXLRQL-JOCHJYFZSA-N 0 0 505.600 3.654 40 0 KHABRN CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1 ZINC000033700737 553968930 /nfs/dbraw/zinc/96/89/30/553968930.db2.gz RDKPGULDSXLRQL-QFIPXVFZSA-N 0 0 505.600 3.654 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000033744824 553971931 /nfs/dbraw/zinc/97/19/31/553971931.db2.gz FTODXTQAQWWMKQ-CBYYHRJHSA-N 0 0 506.624 3.939 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000033744828 553971904 /nfs/dbraw/zinc/97/19/04/553971904.db2.gz FTODXTQAQWWMKQ-PNZYDNNZSA-N 0 0 506.624 3.939 40 0 KHABRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000033752702 553972189 /nfs/dbraw/zinc/97/21/89/553972189.db2.gz ABWLDIQFEFRSTI-UKTHLTGXSA-N 0 0 507.616 3.850 40 0 KHABRN C=CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1C ZINC000033764648 553972710 /nfs/dbraw/zinc/97/27/10/553972710.db2.gz ZHXBRWLETIDAPW-ACCUITESSA-N 0 0 507.616 3.850 40 0 KHABRN CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1ccccc1OC ZINC000033786409 553973504 /nfs/dbraw/zinc/97/35/04/553973504.db2.gz URHTVWXIOBQSHH-UHFFFAOYSA-N 0 0 504.410 3.730 40 0 KHABRN CCOC(=O)C[C@H]1C(=O)[C@@H](CC(=O)OCC)[C@@H]2N[C@H]1c1ccccc1OCCOCCOc1ccccc12 ZINC000033821904 553974352 /nfs/dbraw/zinc/97/43/52/553974352.db2.gz ATUVYQJPDSLKFI-OPQYHKBDSA-N 0 0 525.598 3.568 40 0 KHABRN CCOC(=O)C[C@@H]1C(=O)[C@@H](CC(=O)OCC)[C@@H]2N[C@H]1c1ccccc1OCCOCCOc1ccccc12 ZINC000033821905 553974360 /nfs/dbraw/zinc/97/43/60/553974360.db2.gz ATUVYQJPDSLKFI-TVCBXBRYSA-N 0 0 525.598 3.568 40 0 KHABRN CCOC(=O)C[C@@H]1C(=O)[C@@H](CC(=O)OCC)[C@@H]2N[C@@H]1c1ccccc1OCCOCCOc1ccccc12 ZINC000033821906 553974281 /nfs/dbraw/zinc/97/42/81/553974281.db2.gz ATUVYQJPDSLKFI-SHRQFBHGSA-N 0 0 525.598 3.568 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c1OC ZINC000033859317 553975267 /nfs/dbraw/zinc/97/52/67/553975267.db2.gz PRRPNKXHLHOAEN-WLJFKGHSSA-N 0 0 513.015 3.857 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c1OC ZINC000033859319 553975195 /nfs/dbraw/zinc/97/51/95/553975195.db2.gz PRRPNKXHLHOAEN-VLOXRPPESA-N 0 0 513.015 3.857 40 0 KHABRN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)Cc2ccccc2)c1 ZINC000033871175 553975450 /nfs/dbraw/zinc/97/54/50/553975450.db2.gz LVLBFUUVFVEUIY-UHFFFAOYSA-N 0 0 500.573 3.551 40 0 KHABRN CCOc1ccc(CN(C[C@@H]2CCCO2)[C@H](c2nnnn2CCOC)c2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000033936040 553977660 /nfs/dbraw/zinc/97/76/60/553977660.db2.gz 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ZINC000033939842 553979854 /nfs/dbraw/zinc/97/98/54/553979854.db2.gz QUSLPIAADKCCHA-LDTWXCKZSA-N 0 0 514.066 3.744 40 0 KHABRN CC(C)(C)NC(=O)[C@H]1N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3)[C@]3(C)C=C[C@@]21O3 ZINC000033939855 553979806 /nfs/dbraw/zinc/97/98/06/553979806.db2.gz IBMKJQDYGWCIDC-KUOMHSFESA-N 0 0 508.018 3.934 40 0 KHABRN CC(C)(C)NC(=O)[C@H]1N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3)[C@@]3(C)C=C[C@]21O3 ZINC000033939856 553979833 /nfs/dbraw/zinc/97/98/33/553979833.db2.gz IBMKJQDYGWCIDC-LDTWXCKZSA-N 0 0 508.018 3.934 40 0 KHABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)NCc4cccs4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NCc2ccccc2)c(C)c1 ZINC000033939973 553980050 /nfs/dbraw/zinc/98/00/50/553980050.db2.gz QRZADRCBMRTNFR-URAJONJJSA-N 0 0 527.646 3.653 40 0 KHABRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)NCc4cccs4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NCc2ccccc2)c(C)c1 ZINC000033939975 553980115 /nfs/dbraw/zinc/98/01/15/553980115.db2.gz QRZADRCBMRTNFR-SJNNHYBDSA-N 0 0 527.646 3.653 40 0 KHABRN CC(C)(C)NC(=O)[C@H]1N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)NCc3cccs3)[C@]3(C)C=C[C@@]21O3 ZINC000033939982 553980039 /nfs/dbraw/zinc/98/00/39/553980039.db2.gz LRCFXTJGRZHGOK-FIWHOETCSA-N 0 0 528.074 3.673 40 0 KHABRN CC(C)(C)NC(=O)[C@H]1N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2[C@H](C(=O)NCc3cccs3)[C@@]3(C)C=C[C@]21O3 ZINC000033939983 553980122 /nfs/dbraw/zinc/98/01/22/553980122.db2.gz LRCFXTJGRZHGOK-MGHDIQEJSA-N 0 0 528.074 3.673 40 0 KHABRN C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000034001955 553980272 /nfs/dbraw/zinc/98/02/72/553980272.db2.gz ZMELOYOKMZBMRB-DLBZAZTESA-N 0 0 513.013 3.977 40 0 investigational KHABRN COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000034690086 553989121 /nfs/dbraw/zinc/98/91/21/553989121.db2.gz LPCBDBRFHJCUNL-UHFFFAOYSA-N 0 0 517.991 3.599 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000034721478 553996246 /nfs/dbraw/zinc/99/62/46/553996246.db2.gz 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513.660 3.995 40 0 KHABRN CCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2Br)n1C ZINC000034895217 554023733 /nfs/dbraw/zinc/02/37/33/554023733.db2.gz XAWQBDHWFQSLDS-UHFFFAOYSA-N 0 0 504.410 3.637 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1 ZINC000034898082 554023951 /nfs/dbraw/zinc/02/39/51/554023951.db2.gz WZAABIIZKNJFLD-CVGPFBNFSA-N 0 0 501.520 3.576 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000034898084 554023890 /nfs/dbraw/zinc/02/38/90/554023890.db2.gz WZAABIIZKNJFLD-LJJBLSSYSA-N 0 0 501.520 3.576 40 0 KHABRN COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccccc1C(N)=O ZINC000034920985 554031376 /nfs/dbraw/zinc/03/13/76/554031376.db2.gz OCQWCACBENKNKX-VOTSOKGWSA-N 0 0 513.211 3.846 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000035006142 554033570 /nfs/dbraw/zinc/03/35/70/554033570.db2.gz YBOAQSHATGJFPE-CNSVBDKNSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000035006146 554033467 /nfs/dbraw/zinc/03/34/67/554033467.db2.gz YBOAQSHATGJFPE-FNGUVFISSA-N 0 0 513.413 3.569 40 0 KHABRN COc1ccc(/C=c2/sc3n(c2=O)[C@@H]2c4ccccc4O[C@](C)(N=3)[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000035023305 554033621 /nfs/dbraw/zinc/03/36/21/554033621.db2.gz BRGUNRFYOARZJX-DKWQRRFYSA-N 0 0 511.603 3.642 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000035048221 1066881080 /nfs/dbraw/zinc/88/10/80/1066881080.db2.gz HCTIJBNEXWFTSN-NLFFAJNJSA-N 0 0 508.640 3.957 40 0 KHABRN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000035048222 1066880921 /nfs/dbraw/zinc/88/09/21/1066880921.db2.gz HCTIJBNEXWFTSN-CJFMBICVSA-N 0 0 508.640 3.957 40 0 KHABRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000035084787 554034578 /nfs/dbraw/zinc/03/45/78/554034578.db2.gz GAEFUEBPWLOOJX-FCKOQQNDSA-N 0 0 507.011 3.852 40 0 KHABRN C#CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000035084790 554034572 /nfs/dbraw/zinc/03/45/72/554034572.db2.gz GAEFUEBPWLOOJX-DLBLZJNESA-N 0 0 507.011 3.852 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1 ZINC000035088541 554034404 /nfs/dbraw/zinc/03/44/04/554034404.db2.gz JBIRYDAXOMIZNL-UHFFFAOYSA-N 0 0 507.656 3.539 40 0 KHABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)CC1 ZINC000035104064 554034637 /nfs/dbraw/zinc/03/46/37/554034637.db2.gz CLPBPRYVJHVBQC-KRWDZBQOSA-N 0 0 509.024 3.560 40 0 KHABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2Cl)CC1 ZINC000035104065 554034698 /nfs/dbraw/zinc/03/46/98/554034698.db2.gz CLPBPRYVJHVBQC-QGZVFWFLSA-N 0 0 509.024 3.560 40 0 KHABRN COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccccc1Br ZINC000035171422 554040756 /nfs/dbraw/zinc/04/07/56/554040756.db2.gz XVDVSBXIHCCSID-UHFFFAOYSA-N 0 0 513.348 3.919 40 0 KHABRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000035178130 554040745 /nfs/dbraw/zinc/04/07/45/554040745.db2.gz SUJJRTIXIKLLFV-FCKOQQNDSA-N 0 0 507.011 3.852 40 0 KHABRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000035178143 554040989 /nfs/dbraw/zinc/04/09/89/554040989.db2.gz SUJJRTIXIKLLFV-DLBLZJNESA-N 0 0 507.011 3.852 40 0 KHABRN CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000035203220 554041665 /nfs/dbraw/zinc/04/16/65/554041665.db2.gz OSSFYQZKCYLGIB-UHFFFAOYSA-N 0 0 518.437 3.772 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000035225823 554041874 /nfs/dbraw/zinc/04/18/74/554041874.db2.gz VYCHMPWRUXIBHB-CBYYHRJHSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000035225825 554041939 /nfs/dbraw/zinc/04/19/39/554041939.db2.gz VYCHMPWRUXIBHB-PNZYDNNZSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000035263964 554042463 /nfs/dbraw/zinc/04/24/63/554042463.db2.gz UETMETCTBAWYCY-XSZPGNIMSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000035263966 554042497 /nfs/dbraw/zinc/04/24/97/554042497.db2.gz UETMETCTBAWYCY-XXMKCSCWSA-N 0 0 522.623 3.603 40 0 KHABRN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(=O)OCCCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000035288770 554042880 /nfs/dbraw/zinc/04/28/80/554042880.db2.gz PICOOMHHPJGTNP-IBGZPJMESA-N 0 0 520.611 3.966 40 0 KHABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(=O)OCCCc3nc4ccccc4[nH]3)cc2)cc1 ZINC000035288771 554042860 /nfs/dbraw/zinc/04/28/60/554042860.db2.gz PICOOMHHPJGTNP-LJQANCHMSA-N 0 0 520.611 3.966 40 0 KHABRN COc1cc([C@H]2C3=C(COC3=O)N(c3ccccc3)[C@@]3(Nc4ccccc4)COC(=O)[C@@H]23)cc2c1OCO2 ZINC000035326533 554043447 /nfs/dbraw/zinc/04/34/47/554043447.db2.gz XYGODGIBYGKECA-ZBAJWAEMSA-N 0 0 512.518 3.820 40 0 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40 0 KHABRN C=Cc1ccc(Cn2nc3n(c2=O)c2cc(C(=O)NC(C)C)ccc2c(=O)n3Cc2ccc(C)cc2)cc1 ZINC000035481586 554056588 /nfs/dbraw/zinc/05/65/88/554056588.db2.gz ODLUIAOGAYSREJ-UHFFFAOYSA-N 0 0 507.594 3.997 40 0 KHABRN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C ZINC000035565019 554061109 /nfs/dbraw/zinc/06/11/09/554061109.db2.gz CIWBQSYVNNPZIQ-PXYWZZLESA-N 0 0 504.595 3.818 40 0 KHABRN Cc1nn(C)c(C)c1[C@H]1[C@@H](C(=O)Nc2ccccc2C)C(=O)C[C@](C)(O)[C@H]1C(=O)Nc1ccccc1C ZINC000035678735 554062963 /nfs/dbraw/zinc/06/29/63/554062963.db2.gz CRZOLSVNWPMZBE-QNVWVOQGSA-N 0 0 502.615 3.971 40 0 KHABRN Cc1nn(C)c(C)c1[C@@H]1[C@@H](C(=O)Nc2ccccc2C)C(=O)C[C@](C)(O)[C@H]1C(=O)Nc1ccccc1C ZINC000035678739 554063035 /nfs/dbraw/zinc/06/30/35/554063035.db2.gz CRZOLSVNWPMZBE-OSSDZZHWSA-N 0 0 502.615 3.971 40 0 KHABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCN1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000035767879 554071966 /nfs/dbraw/zinc/07/19/66/554071966.db2.gz RXEDVAGAHBXFDH-ALFLXDJESA-N 0 0 513.461 3.502 40 0 KHABRN Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035843207 554081495 /nfs/dbraw/zinc/08/14/95/554081495.db2.gz MYUKAGCSYARXIH-YTSMVRMISA-N 0 0 500.780 3.842 40 0 KHABRN CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)NCCN2CCOCC2)cc1 ZINC000035973863 291803917 /nfs/dbraw/zinc/80/39/17/291803917.db2.gz PQGBGJSAIMCWJR-RPPYQJPISA-N 0 0 612.837 3.947 40 0 biogenic,in-vitro KHABRN COc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5Sc6[nH]c(=O)sc6[C@@H](c6ccc(O)cc6)[C@H]45)[C@@H]3C2=O)cc1 ZINC000035982102 554118519 /nfs/dbraw/zinc/11/85/19/554118519.db2.gz HUWXDLTXHKPPLB-SPKZCENISA-N 0 0 506.605 3.829 40 0 KHABRN COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H]2[C@@H]4Sc3[nH]c(=O)sc3[C@H]2c2ccc(O)cc2)cc1 ZINC000035982103 554118542 /nfs/dbraw/zinc/11/85/42/554118542.db2.gz HUWXDLTXHKPPLB-NUNROCCHSA-N 0 0 506.605 3.829 40 0 KHABRN COc1cc([C@H]2[C@@H](C(=O)OCc3ccccc3)C(=O)C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000036034667 554146259 /nfs/dbraw/zinc/14/62/59/554146259.db2.gz IFDAJMORJMNCKW-MHTMXISKSA-N 0 0 518.562 3.927 40 0 KHABRN COc1cc([C@H]2[C@@H](C(=O)OCc3ccccc3)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000036034668 554146265 /nfs/dbraw/zinc/14/62/65/554146265.db2.gz IFDAJMORJMNCKW-NVIJWRNBSA-N 0 0 518.562 3.927 40 0 KHABRN COc1cc([C@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000036034669 554146249 /nfs/dbraw/zinc/14/62/49/554146249.db2.gz IFDAJMORJMNCKW-TXQUNOLYSA-N 0 0 518.562 3.927 40 0 KHABRN COc1cc([C@H]2[C@H](C(=O)OCc3ccccc3)C(=O)C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000036034670 554146272 /nfs/dbraw/zinc/14/62/72/554146272.db2.gz IFDAJMORJMNCKW-LSMVNSQTSA-N 0 0 518.562 3.927 40 0 KHABRN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1S[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000036247854 554209934 /nfs/dbraw/zinc/20/99/34/554209934.db2.gz AHKGIAGIUOKOKS-RBSFLKMASA-N 0 0 502.434 3.998 40 0 KHABRN C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2nc1S[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000036247856 554209902 /nfs/dbraw/zinc/20/99/02/554209902.db2.gz AHKGIAGIUOKOKS-KFWWJZLASA-N 0 0 502.434 3.998 40 0 KHABRN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369499 554224248 /nfs/dbraw/zinc/22/42/48/554224248.db2.gz CWWJSEGCCZBEOE-WQDFEKRYSA-N 0 0 516.682 3.783 40 0 KHABRN COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2)cc1 ZINC000036384038 554224712 /nfs/dbraw/zinc/22/47/12/554224712.db2.gz VGFCVQIKNKJQKH-JIPXPUAJSA-N 0 0 513.660 3.995 40 0 KHABRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc(O)cc1 ZINC000036556599 554225232 /nfs/dbraw/zinc/22/52/32/554225232.db2.gz HRSWADFWTNGBOC-QNVWVOQGSA-N 0 0 518.566 3.727 40 0 KHABRN COc1ccccc1NC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc(O)cc1 ZINC000036556601 554225266 /nfs/dbraw/zinc/22/52/66/554225266.db2.gz HRSWADFWTNGBOC-QPPCPWFDSA-N 0 0 518.566 3.727 40 0 KHABRN COc1ccccc1NC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)Nc2ccccc2OC)[C@H]1c1ccc(O)cc1 ZINC000036556605 554225259 /nfs/dbraw/zinc/22/52/59/554225259.db2.gz HRSWADFWTNGBOC-YIPGRGJBSA-N 0 0 518.566 3.727 40 0 KHABRN CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000036611966 554225843 /nfs/dbraw/zinc/22/58/43/554225843.db2.gz BWUFGXQCUWGICQ-QFVBLGFASA-N 0 0 504.015 3.744 40 0 KHABRN CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 ZINC000036611967 554225776 /nfs/dbraw/zinc/22/57/76/554225776.db2.gz BWUFGXQCUWGICQ-JDCXBEBJSA-N 0 0 504.015 3.744 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(Cl)ccc2OCC(=O)OC)cc1 ZINC000036612626 554226004 /nfs/dbraw/zinc/22/60/04/554226004.db2.gz FQNFKKGETOMTST-OAQYLSRUSA-N 0 0 517.991 3.500 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(Cl)ccc2OCC(=O)OC)cc1 ZINC000036612627 554226021 /nfs/dbraw/zinc/22/60/21/554226021.db2.gz FQNFKKGETOMTST-NRFANRHFSA-N 0 0 517.991 3.500 40 0 KHABRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc3c(c(C(=O)N4CCC(c5nc6ccccc6o5)CC4)c12)CCC3 ZINC000036631336 554229816 /nfs/dbraw/zinc/22/98/16/554229816.db2.gz JXTDWRPJROOVOY-GOSISDBHSA-N 0 0 519.627 3.749 40 0 KHABRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc3c(c(C(=O)N4CCC(c5nc6ccccc6o5)CC4)c12)CCC3 ZINC000036631337 554229798 /nfs/dbraw/zinc/22/97/98/554229798.db2.gz JXTDWRPJROOVOY-SFHVURJKSA-N 0 0 519.627 3.749 40 0 KHABRN O=C1c2cccc3cccc(c32)C(=O)N1CCOCCOCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000036644147 554230524 /nfs/dbraw/zinc/23/05/24/554230524.db2.gz GSMITEIJWBYFOR-UHFFFAOYSA-N 0 0 508.530 3.918 40 0 KHABRN COc1ccc(CN(C(=O)c2ccc(CN3CCOCC3)o2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000038140264 554262921 /nfs/dbraw/zinc/26/29/21/554262921.db2.gz ITLLWIJIWXXGFG-WNJJXGMVSA-N 0 0 565.642 3.938 40 0 KHABRN COc1ccc(CN(C(=O)c2ccc(CN3CCOCC3)o2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000038140265 554262866 /nfs/dbraw/zinc/26/28/66/554262866.db2.gz ITLLWIJIWXXGFG-LITSAYRRSA-N 0 0 565.642 3.938 40 0 KHABRN COc1ccc(CN(C(=O)c2ccc(CN3CCOCC3)o2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000038140266 554262849 /nfs/dbraw/zinc/26/28/49/554262849.db2.gz ITLLWIJIWXXGFG-UHSQPCAPSA-N 0 0 565.642 3.938 40 0 KHABRN COc1ccc(CN(C(=O)c2ccc(CN3CCOCC3)o2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000038140267 554262885 /nfs/dbraw/zinc/26/28/85/554262885.db2.gz ITLLWIJIWXXGFG-GGXMVOPNSA-N 0 0 565.642 3.938 40 0 KHABRN CC(C)(O)CC[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000038140886 554264518 /nfs/dbraw/zinc/26/45/18/554264518.db2.gz GHZYCHXISZLQFT-YSKWRSNWSA-N 0 0 584.750 3.719 40 0 biogenic KHABRN CC(C)(O)CC[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000038140887 554264462 /nfs/dbraw/zinc/26/44/62/554264462.db2.gz GHZYCHXISZLQFT-ZJDBVRRLSA-N 0 0 584.750 3.719 40 0 biogenic KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(C)o2)c(OC)c1 ZINC000038144998 554266625 /nfs/dbraw/zinc/26/66/25/554266625.db2.gz AUOMNDSRFCWOBQ-QHCPKHFHSA-N 0 0 567.599 3.586 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(C)o2)c(OC)c1 ZINC000038144999 554266648 /nfs/dbraw/zinc/26/66/48/554266648.db2.gz AUOMNDSRFCWOBQ-HSZRJFAPSA-N 0 0 567.599 3.586 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC ZINC000038145000 554266606 /nfs/dbraw/zinc/26/66/06/554266606.db2.gz VOXFYZJAVKPJLS-VWLOTQADSA-N 0 0 575.647 3.555 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC ZINC000038145001 554266695 /nfs/dbraw/zinc/26/66/95/554266695.db2.gz VOXFYZJAVKPJLS-RUZDIDTESA-N 0 0 575.647 3.555 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2OC)cc1OC ZINC000038145142 554267175 /nfs/dbraw/zinc/26/71/75/554267175.db2.gz BLWFXHNBDZDAEB-DEOSSOPVSA-N 0 0 567.668 3.605 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2OC)cc1OC ZINC000038145143 554267229 /nfs/dbraw/zinc/26/72/29/554267229.db2.gz BLWFXHNBDZDAEB-XMMPIXPASA-N 0 0 567.668 3.605 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1cccc(OC)c1OC ZINC000038145156 554267151 /nfs/dbraw/zinc/26/71/51/554267151.db2.gz XPLLPOFURNSWOF-QHCPKHFHSA-N 0 0 567.668 3.687 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1cccc(OC)c1OC ZINC000038145157 554267179 /nfs/dbraw/zinc/26/71/79/554267179.db2.gz XPLLPOFURNSWOF-HSZRJFAPSA-N 0 0 567.668 3.687 40 0 KHABRN COc1cc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)ccc1O ZINC000038145161 554267168 /nfs/dbraw/zinc/26/71/68/554267168.db2.gz SIZHAJYUPLZTKF-QHCPKHFHSA-N 0 0 537.642 3.684 40 0 KHABRN COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)ccc1O ZINC000038145163 554267148 /nfs/dbraw/zinc/26/71/48/554267148.db2.gz SIZHAJYUPLZTKF-HSZRJFAPSA-N 0 0 537.642 3.684 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1OC ZINC000038145184 554267446 /nfs/dbraw/zinc/26/74/46/554267446.db2.gz VLTFOMXJQFAJIV-CHJDUVSTSA-N 0 0 571.634 3.721 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1OC ZINC000038145185 554267417 /nfs/dbraw/zinc/26/74/17/554267417.db2.gz VLTFOMXJQFAJIV-SMSORMJASA-N 0 0 571.634 3.721 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1OC ZINC000038145186 554267376 /nfs/dbraw/zinc/26/73/76/554267376.db2.gz VLTFOMXJQFAJIV-RCRUUEGKSA-N 0 0 571.634 3.721 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc1OC ZINC000038145187 554267329 /nfs/dbraw/zinc/26/73/29/554267329.db2.gz VLTFOMXJQFAJIV-YKGWIAGDSA-N 0 0 571.634 3.721 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000038145725 554267652 /nfs/dbraw/zinc/26/76/52/554267652.db2.gz SPXPCXUDJBTWRC-QFIPXVFZSA-N 0 0 537.548 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000038145726 554267654 /nfs/dbraw/zinc/26/76/54/554267654.db2.gz SPXPCXUDJBTWRC-JOCHJYFZSA-N 0 0 537.548 3.513 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c(OC)c1 ZINC000038145733 554267800 /nfs/dbraw/zinc/26/78/00/554267800.db2.gz SMCAVNAPISGMJQ-QFIPXVFZSA-N 0 0 541.630 3.580 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c(OC)c1 ZINC000038145734 554267870 /nfs/dbraw/zinc/26/78/70/554267870.db2.gz SMCAVNAPISGMJQ-JOCHJYFZSA-N 0 0 541.630 3.580 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)ccc1O ZINC000038145740 554267809 /nfs/dbraw/zinc/26/78/09/554267809.db2.gz MXEHRRSHHCACLF-ZTOMLWHTSA-N 0 0 543.624 3.914 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)ccc1O ZINC000038145742 554267803 /nfs/dbraw/zinc/26/78/03/554267803.db2.gz MXEHRRSHHCACLF-PZGXJGMVSA-N 0 0 543.624 3.914 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)ccc1O ZINC000038145744 554267847 /nfs/dbraw/zinc/26/78/47/554267847.db2.gz MXEHRRSHHCACLF-MNNSJKJDSA-N 0 0 543.624 3.914 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C)ccc1O ZINC000038145746 554267875 /nfs/dbraw/zinc/26/78/75/554267875.db2.gz MXEHRRSHHCACLF-KPURRNSFSA-N 0 0 543.624 3.914 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c(OC)c1 ZINC000038145819 554268106 /nfs/dbraw/zinc/26/81/06/554268106.db2.gz YFSZJJVQGYAVLW-LVXARBLLSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c(OC)c1 ZINC000038145820 554268124 /nfs/dbraw/zinc/26/81/24/554268124.db2.gz YFSZJJVQGYAVLW-HFZDXXHNSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)c(OC)c1 ZINC000038145821 554268076 /nfs/dbraw/zinc/26/80/76/554268076.db2.gz YFSZJJVQGYAVLW-RLWLMLJZSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)c(OC)c1 ZINC000038145822 554268130 /nfs/dbraw/zinc/26/81/30/554268130.db2.gz YFSZJJVQGYAVLW-QFQXNSOFSA-N 0 0 537.638 3.565 40 0 KHABRN COc1cc([C@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)cc(OC)c1OC ZINC000038145823 554268086 /nfs/dbraw/zinc/26/80/86/554268086.db2.gz LCSBRGUCFQAFPE-HSZRJFAPSA-N 0 0 540.642 3.588 40 0 KHABRN COc1cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2cccnc2)cc(OC)c1OC ZINC000038145824 554268132 /nfs/dbraw/zinc/26/81/32/554268132.db2.gz LCSBRGUCFQAFPE-QHCPKHFHSA-N 0 0 540.642 3.588 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000038145875 554268649 /nfs/dbraw/zinc/26/86/49/554268649.db2.gz BIFRVMBLXQUSGP-OZXSUGGESA-N 0 0 534.638 3.506 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000038145876 554268643 /nfs/dbraw/zinc/26/86/43/554268643.db2.gz BIFRVMBLXQUSGP-JYFHCDHNSA-N 0 0 534.638 3.506 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000038145877 554268499 /nfs/dbraw/zinc/26/84/99/554268499.db2.gz BIFRVMBLXQUSGP-BVAGGSTKSA-N 0 0 534.638 3.506 40 0 KHABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 ZINC000038145879 554268604 /nfs/dbraw/zinc/26/86/04/554268604.db2.gz BIFRVMBLXQUSGP-ZEQKJWHPSA-N 0 0 534.638 3.506 40 0 KHABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)c1OC ZINC000038145900 554268637 /nfs/dbraw/zinc/26/86/37/554268637.db2.gz HRLOWXBXCCEVIB-LGGPFLRQSA-N 0 0 571.634 3.721 40 0 KHABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)c1OC ZINC000038145901 554268510 /nfs/dbraw/zinc/26/85/10/554268510.db2.gz HRLOWXBXCCEVIB-KCWXNJEJSA-N 0 0 571.634 3.721 40 0 KHABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)c1OC ZINC000038145902 554268543 /nfs/dbraw/zinc/26/85/43/554268543.db2.gz HRLOWXBXCCEVIB-PBBNMVCDSA-N 0 0 571.634 3.721 40 0 KHABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)c1OC ZINC000038145903 554268523 /nfs/dbraw/zinc/26/85/23/554268523.db2.gz HRLOWXBXCCEVIB-ONOMSOESSA-N 0 0 571.634 3.721 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145904 554268620 /nfs/dbraw/zinc/26/86/20/554268620.db2.gz BNVMVJPYOUTTPS-NGQVCNFZSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145905 554268733 /nfs/dbraw/zinc/26/87/33/554268733.db2.gz BNVMVJPYOUTTPS-QABMSTFYSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145906 554268715 /nfs/dbraw/zinc/26/87/15/554268715.db2.gz BNVMVJPYOUTTPS-HLADLETHSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)ccc1O ZINC000038145907 554268776 /nfs/dbraw/zinc/26/87/76/554268776.db2.gz BNVMVJPYOUTTPS-AYWVHJORSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)ccc1O ZINC000038145908 554268730 /nfs/dbraw/zinc/26/87/30/554268730.db2.gz ICKQCMUYBHTDJS-CHJDUVSTSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)ccc1O ZINC000038145909 554268710 /nfs/dbraw/zinc/26/87/10/554268710.db2.gz ICKQCMUYBHTDJS-SMSORMJASA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)ccc1O ZINC000038145910 554268748 /nfs/dbraw/zinc/26/87/48/554268748.db2.gz ICKQCMUYBHTDJS-RCRUUEGKSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)ccc1O ZINC000038145911 554268711 /nfs/dbraw/zinc/26/87/11/554268711.db2.gz ICKQCMUYBHTDJS-YKGWIAGDSA-N 0 0 571.634 3.808 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)ccc1O ZINC000038145912 554268793 /nfs/dbraw/zinc/26/87/93/554268793.db2.gz YRJZAQPHMXGOJT-LGGPFLRQSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)ccc1O ZINC000038145913 554268767 /nfs/dbraw/zinc/26/87/67/554268767.db2.gz YRJZAQPHMXGOJT-KCWXNJEJSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)ccc1O ZINC000038145914 554268789 /nfs/dbraw/zinc/26/87/89/554268789.db2.gz YRJZAQPHMXGOJT-PBBNMVCDSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2OC)ccc1O ZINC000038145915 554268759 /nfs/dbraw/zinc/26/87/59/554268759.db2.gz YRJZAQPHMXGOJT-ONOMSOESSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)ccc1O ZINC000038145918 554268809 /nfs/dbraw/zinc/26/88/09/554268809.db2.gz VCRWTQYKKQLCRK-NGQVCNFZSA-N 0 0 586.649 3.564 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)ccc1O ZINC000038145919 554268727 /nfs/dbraw/zinc/26/87/27/554268727.db2.gz VCRWTQYKKQLCRK-QABMSTFYSA-N 0 0 586.649 3.564 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)ccc1O ZINC000038145920 554268800 /nfs/dbraw/zinc/26/88/00/554268800.db2.gz VCRWTQYKKQLCRK-HLADLETHSA-N 0 0 586.649 3.564 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(NC(C)=O)cc2)ccc1O ZINC000038145921 554268742 /nfs/dbraw/zinc/26/87/42/554268742.db2.gz VCRWTQYKKQLCRK-AYWVHJORSA-N 0 0 586.649 3.564 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)ccc1O ZINC000038145922 554268763 /nfs/dbraw/zinc/26/87/63/554268763.db2.gz YVFIDQAYLBHHRW-CHJDUVSTSA-N 0 0 589.649 3.623 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)ccc1O ZINC000038145923 554268717 /nfs/dbraw/zinc/26/87/17/554268717.db2.gz YVFIDQAYLBHHRW-SMSORMJASA-N 0 0 589.649 3.623 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)ccc1O ZINC000038145924 554268712 /nfs/dbraw/zinc/26/87/12/554268712.db2.gz YVFIDQAYLBHHRW-RCRUUEGKSA-N 0 0 589.649 3.623 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(OC)c(OC)c2)ccc1O ZINC000038145925 554268803 /nfs/dbraw/zinc/26/88/03/554268803.db2.gz YVFIDQAYLBHHRW-YKGWIAGDSA-N 0 0 589.649 3.623 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)ccc1O ZINC000038145926 554268737 /nfs/dbraw/zinc/26/87/37/554268737.db2.gz NAOWWTZJJXCZQM-IADCTJSHSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)ccc1O ZINC000038145927 554268783 /nfs/dbraw/zinc/26/87/83/554268783.db2.gz NAOWWTZJJXCZQM-MUAVYFROSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)ccc1O ZINC000038145928 554268756 /nfs/dbraw/zinc/26/87/56/554268756.db2.gz NAOWWTZJJXCZQM-BTYSJIOQSA-N 0 0 559.623 3.614 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cccc(OC)c2)ccc1O ZINC000038145929 554268780 /nfs/dbraw/zinc/26/87/80/554268780.db2.gz NAOWWTZJJXCZQM-RNWIMVQKSA-N 0 0 559.623 3.614 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c1 ZINC000038145938 554269122 /nfs/dbraw/zinc/26/91/22/554269122.db2.gz WMWGWFGHQOVTMM-LVXARBLLSA-N 0 0 537.638 3.565 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c1 ZINC000038145939 554269049 /nfs/dbraw/zinc/26/90/49/554269049.db2.gz WMWGWFGHQOVTMM-HFZDXXHNSA-N 0 0 537.638 3.565 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)c1 ZINC000038145940 554269072 /nfs/dbraw/zinc/26/90/72/554269072.db2.gz WMWGWFGHQOVTMM-RLWLMLJZSA-N 0 0 537.638 3.565 40 0 KHABRN COc1cc(OC)cc(N(C(=O)CNC(=O)c2cccs2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2)c1 ZINC000038145941 554269037 /nfs/dbraw/zinc/26/90/37/554269037.db2.gz WMWGWFGHQOVTMM-QFQXNSOFSA-N 0 0 537.638 3.565 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)c(C)c2)cc1OC ZINC000038145954 554269064 /nfs/dbraw/zinc/26/90/64/554269064.db2.gz REUIGQIYJPCKGV-FIPFOOKPSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)c(C)c2)cc1OC ZINC000038145955 554269060 /nfs/dbraw/zinc/26/90/60/554269060.db2.gz REUIGQIYJPCKGV-NEKDWFFYSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)c(C)c2)cc1OC ZINC000038145956 554269089 /nfs/dbraw/zinc/26/90/89/554269089.db2.gz REUIGQIYJPCKGV-LXFBAYGMSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2ccc(C)c(C)c2)cc1OC ZINC000038145957 554269054 /nfs/dbraw/zinc/26/90/54/554269054.db2.gz REUIGQIYJPCKGV-QDPGVEIFSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)cc(C)c2)cc1OC ZINC000038145958 554269081 /nfs/dbraw/zinc/26/90/81/554269081.db2.gz CAYQIYUOKHCZEQ-FIPFOOKPSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)cc(C)c2)cc1OC ZINC000038145959 554269075 /nfs/dbraw/zinc/26/90/75/554269075.db2.gz CAYQIYUOKHCZEQ-NEKDWFFYSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)cc(C)c2)cc1OC ZINC000038145960 554269068 /nfs/dbraw/zinc/26/90/68/554269068.db2.gz CAYQIYUOKHCZEQ-LXFBAYGMSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)cc(C)c2)cc1OC ZINC000038145961 554269084 /nfs/dbraw/zinc/26/90/84/554269084.db2.gz CAYQIYUOKHCZEQ-QDPGVEIFSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)ccc2C)cc1OC ZINC000038145978 554269293 /nfs/dbraw/zinc/26/92/93/554269293.db2.gz IGLUPTXBDGNNKT-DWACAAAGSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)ccc2C)cc1OC ZINC000038145979 554269307 /nfs/dbraw/zinc/26/93/07/554269307.db2.gz IGLUPTXBDGNNKT-RBISFHTESA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)ccc2C)cc1OC ZINC000038145980 554269274 /nfs/dbraw/zinc/26/92/74/554269274.db2.gz IGLUPTXBDGNNKT-DFHRPNOPSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)CNC(=O)c2ccco2)c2cc(C)ccc2C)cc1OC ZINC000038145981 554269301 /nfs/dbraw/zinc/26/93/01/554269301.db2.gz IGLUPTXBDGNNKT-SKCUWOTOSA-N 0 0 549.624 3.713 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000038752569 554275422 /nfs/dbraw/zinc/27/54/22/554275422.db2.gz DIARPLNUITUGGN-UHFFFAOYSA-N 0 0 517.629 3.743 40 0 KHABRN COc1cccc(CCCNC(=O)C2CCN(S(=O)(=O)Cc3cccc(Br)c3)CC2)c1 ZINC000038753417 554275748 /nfs/dbraw/zinc/27/57/48/554275748.db2.gz HBZQDRQRDFLLFS-UHFFFAOYSA-N 0 0 509.466 3.749 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccccc2)cc1OC ZINC000038753705 554275760 /nfs/dbraw/zinc/27/57/60/554275760.db2.gz ODPHLOQVPPUZJM-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000038754578 554276024 /nfs/dbraw/zinc/27/60/24/554276024.db2.gz YOBGQAZNTGVRSM-UHFFFAOYSA-N 0 0 502.932 3.966 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000038754716 554276084 /nfs/dbraw/zinc/27/60/84/554276084.db2.gz VQAVHCRJTQXSCC-UHFFFAOYSA-N 0 0 504.586 3.615 40 0 KHABRN O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000038755771 554276641 /nfs/dbraw/zinc/27/66/41/554276641.db2.gz BHJQTJMSAKGBTF-DEOSSOPVSA-N 0 0 508.987 3.798 40 0 KHABRN O=C(NCc1ccccc1-n1ccnc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000038755773 554276562 /nfs/dbraw/zinc/27/65/62/554276562.db2.gz BHJQTJMSAKGBTF-XMMPIXPASA-N 0 0 508.987 3.798 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000038756261 554276599 /nfs/dbraw/zinc/27/65/99/554276599.db2.gz TWGNUJWVXXHNEK-UHFFFAOYSA-N 0 0 505.445 3.895 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000038757052 554277071 /nfs/dbraw/zinc/27/70/71/554277071.db2.gz YLURXGGVXMUHIA-UHFFFAOYSA-N 0 0 517.629 3.743 40 0 KHABRN CCOc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000038757263 554277019 /nfs/dbraw/zinc/27/70/19/554277019.db2.gz FTEFAEQBKOAAID-UHFFFAOYSA-N 0 0 502.564 3.753 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3ccnc3C)cc2)cc1OC ZINC000038771448 554277265 /nfs/dbraw/zinc/27/72/65/554277265.db2.gz YLLDRIDHLISXDG-UHFFFAOYSA-N 0 0 520.611 3.953 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2ccnc2C)c2ccccc2OC)cc1 ZINC000038771580 554277248 /nfs/dbraw/zinc/27/72/48/554277248.db2.gz UYNHXFQJBNNTBG-UHFFFAOYSA-N 0 0 520.611 3.710 40 0 KHABRN CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1OC ZINC000038772335 554277212 /nfs/dbraw/zinc/27/72/12/554277212.db2.gz MVAAPTOAQRGHDM-XMMPIXPASA-N 0 0 502.677 3.817 40 0 KHABRN CCOc1ccc(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1OC ZINC000038772338 554277289 /nfs/dbraw/zinc/27/72/89/554277289.db2.gz MVAAPTOAQRGHDM-DEOSSOPVSA-N 0 0 502.677 3.817 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000038772651 554277144 /nfs/dbraw/zinc/27/71/44/554277144.db2.gz FUXAZLPQSDSFSU-UHFFFAOYSA-N 0 0 513.641 3.974 40 0 KHABRN CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)cc1 ZINC000038828117 554277976 /nfs/dbraw/zinc/27/79/76/554277976.db2.gz MDJAVICTKQQWIR-JOCHJYFZSA-N 0 0 501.587 3.692 40 0 KHABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[nH]c(=O)c32)cc1 ZINC000038828118 554277813 /nfs/dbraw/zinc/27/78/13/554277813.db2.gz MDJAVICTKQQWIR-QFIPXVFZSA-N 0 0 501.587 3.692 40 0 KHABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21 ZINC000038828139 554277959 /nfs/dbraw/zinc/27/79/59/554277959.db2.gz BOXLAGAUNIAQKO-HXUWFJFHSA-N 0 0 501.587 3.692 40 0 KHABRN CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21 ZINC000038828140 554277987 /nfs/dbraw/zinc/27/79/87/554277987.db2.gz BOXLAGAUNIAQKO-FQEVSTJZSA-N 0 0 501.587 3.692 40 0 KHABRN COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21 ZINC000038828171 554277998 /nfs/dbraw/zinc/27/79/98/554277998.db2.gz IQZQEHPQJBFLHW-HXUWFJFHSA-N 0 0 501.587 3.611 40 0 KHABRN COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21 ZINC000038828172 554277924 /nfs/dbraw/zinc/27/79/24/554277924.db2.gz IQZQEHPQJBFLHW-FQEVSTJZSA-N 0 0 501.587 3.611 40 0 KHABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000038856011 554278314 /nfs/dbraw/zinc/27/83/14/554278314.db2.gz SPMIPUQBXQMZFU-HJPURHCSSA-N 0 0 514.003 3.997 40 0 KHABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000038856013 554278280 /nfs/dbraw/zinc/27/82/80/554278280.db2.gz SPMIPUQBXQMZFU-MWTRTKDXSA-N 0 0 514.003 3.997 40 0 KHABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000038856015 554278292 /nfs/dbraw/zinc/27/82/92/554278292.db2.gz SPMIPUQBXQMZFU-QMHKHESXSA-N 0 0 514.003 3.997 40 0 KHABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccccc1 ZINC000038856017 554278218 /nfs/dbraw/zinc/27/82/18/554278218.db2.gz SPMIPUQBXQMZFU-WAIKUNEKSA-N 0 0 514.003 3.997 40 0 KHABRN CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000038858083 554278316 /nfs/dbraw/zinc/27/83/16/554278316.db2.gz DVUYNXJJEWKIMJ-RUZDIDTESA-N 0 0 526.058 3.801 40 0 KHABRN CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)Oc2ccc(Cl)cc21 ZINC000038858086 554278346 /nfs/dbraw/zinc/27/83/46/554278346.db2.gz DVUYNXJJEWKIMJ-VWLOTQADSA-N 0 0 526.058 3.801 40 0 KHABRN CCN(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985400 554281968 /nfs/dbraw/zinc/28/19/68/554281968.db2.gz VMYHHMNPIARQJV-UHFFFAOYSA-N 0 0 507.656 3.640 40 0 KHABRN CCN(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1cc(C)ccc1OC ZINC000039985704 554281926 /nfs/dbraw/zinc/28/19/26/554281926.db2.gz BDTOARSGVRQUKH-UHFFFAOYSA-N 0 0 521.683 3.948 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(I)cc2)cc1C ZINC000039986188 554281983 /nfs/dbraw/zinc/28/19/83/554281983.db2.gz GRTCXLHQYLOKNM-UHFFFAOYSA-N 0 0 502.374 3.648 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1Cl ZINC000039986577 554281873 /nfs/dbraw/zinc/28/18/73/554281873.db2.gz MKJNQXYWUVGSMI-DHZHZOJOSA-N 0 0 506.068 3.607 40 0 KHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000039986692 554282205 /nfs/dbraw/zinc/28/22/05/554282205.db2.gz FDJLFLFLSDTXLE-UHFFFAOYSA-N 0 0 507.656 3.688 40 0 KHABRN COCc1nn2c(nnc(C(=O)N3CCN(c4ccccc4)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000040372554 554283132 /nfs/dbraw/zinc/28/31/32/554283132.db2.gz HQJHZUMIKRTLDL-UHFFFAOYSA-N 0 0 521.419 3.971 40 0 KHABRN O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[C@H]1N=C(N2CCN(Cc3ccccc3)CC2)NC1=O ZINC000040385285 554283473 /nfs/dbraw/zinc/28/34/73/554283473.db2.gz QRBFRFKNJWSUCG-JWQCQUIFSA-N 0 0 502.018 3.735 40 0 KHABRN O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[C@@H]1N=C(N2CCN(Cc3ccccc3)CC2)NC1=O ZINC000040385289 554283439 /nfs/dbraw/zinc/28/34/39/554283439.db2.gz QRBFRFKNJWSUCG-RPBOFIJWSA-N 0 0 502.018 3.735 40 0 KHABRN O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)[C@H]1N=C(N2CCN(Cc3ccccc3)CC2)NC1=O ZINC000040385292 554283465 /nfs/dbraw/zinc/28/34/65/554283465.db2.gz QRBFRFKNJWSUCG-LOSJGSFVSA-N 0 0 502.018 3.735 40 0 KHABRN O=C(Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)[C@@H]1N=C(N2CCN(Cc3ccccc3)CC2)NC1=O ZINC000040385295 554283518 /nfs/dbraw/zinc/28/35/18/554283518.db2.gz QRBFRFKNJWSUCG-DQEYMECFSA-N 0 0 502.018 3.735 40 0 KHABRN COCc1nn2c(nnc3c2ccn(NC(=O)COc2ccc4ccccc4c2)c3=O)c1-c1ccccc1 ZINC000040391271 554283494 /nfs/dbraw/zinc/28/34/94/554283494.db2.gz AXUHJIJKXWDZJX-UHFFFAOYSA-N 0 0 506.522 3.555 40 0 KHABRN COCc1nn2c(nnc3c2ccn(NC(=O)COc2cccc4ccccc42)c3=O)c1-c1ccccc1 ZINC000040391274 554283450 /nfs/dbraw/zinc/28/34/50/554283450.db2.gz OCPDJZSMHDKBJU-UHFFFAOYSA-N 0 0 506.522 3.555 40 0 KHABRN CCc1nn2c(nnc3c2ccn(NC(=O)COc2cccc4cccnc42)c3=O)c1-c1ccc(F)cc1 ZINC000040391765 554283645 /nfs/dbraw/zinc/28/36/45/554283645.db2.gz FUUVQLOSFIUYSI-UHFFFAOYSA-N 0 0 509.501 3.505 40 0 KHABRN Cc1nn2c(nnc3c2ccn(NC(=O)COc2cccc4cccnc42)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396018 554283630 /nfs/dbraw/zinc/28/36/30/554283630.db2.gz JIYRAXQTFFQZBP-UHFFFAOYSA-N 0 0 511.929 3.765 40 0 KHABRN COCc1nn2c(ncc3c2ccn(NC(=O)COc2cccc4cccnc42)c3=O)c1-c1ccccc1 ZINC000040396484 554283636 /nfs/dbraw/zinc/28/36/36/554283636.db2.gz NVIPSBVGYAKSOH-UHFFFAOYSA-N 0 0 506.522 3.555 40 0 KHABRN CCc1nn2c(ncc3c2ccn(NC(=O)c2cc(OC)c(OC)c(OC)c2)c3=O)c1-c1ccc(F)cc1 ZINC000040396831 554283591 /nfs/dbraw/zinc/28/35/91/554283591.db2.gz UTYOIBNWHFBSRL-UHFFFAOYSA-N 0 0 517.517 3.822 40 0 KHABRN COc1cc(C(=O)Nn2ccc3c(cnc4c(-c5ccc(F)cc5)c(C)nn43)c2=O)cc(OC)c1OC ZINC000040397011 554283576 /nfs/dbraw/zinc/28/35/76/554283576.db2.gz NTUGRWKWRLLEON-UHFFFAOYSA-N 0 0 503.490 3.568 40 0 KHABRN COc1cc(C(=O)Nn2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)cc(OC)c1OC ZINC000040397353 554283903 /nfs/dbraw/zinc/28/39/03/554283903.db2.gz MAZLQAVDWBAAHQ-UHFFFAOYSA-N 0 0 505.918 3.774 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)cc1 ZINC000040399459 554283917 /nfs/dbraw/zinc/28/39/17/554283917.db2.gz UEFWCQMVJSKYDQ-MRXNPFEDSA-N 0 0 501.330 3.843 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)cc1 ZINC000040399460 554283822 /nfs/dbraw/zinc/28/38/22/554283822.db2.gz UEFWCQMVJSKYDQ-INIZCTEOSA-N 0 0 501.330 3.843 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 ZINC000040399535 554284276 /nfs/dbraw/zinc/28/42/76/554284276.db2.gz LVKPWKUVUCIDBY-CQSZACIVSA-N 0 0 501.330 3.843 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1 ZINC000040399536 554284285 /nfs/dbraw/zinc/28/42/85/554284285.db2.gz LVKPWKUVUCIDBY-AWEZNQCLSA-N 0 0 501.330 3.843 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 ZINC000040399857 554284362 /nfs/dbraw/zinc/28/43/62/554284362.db2.gz MCIOSIGTXKHOGT-LJQANCHMSA-N 0 0 505.531 3.544 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 ZINC000040399859 554284152 /nfs/dbraw/zinc/28/41/52/554284152.db2.gz MCIOSIGTXKHOGT-IBGZPJMESA-N 0 0 505.531 3.544 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 ZINC000040400049 554284664 /nfs/dbraw/zinc/28/46/64/554284664.db2.gz LRFBORBVCRFDRJ-QGZVFWFLSA-N 0 0 505.531 3.544 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[nH]c(=O)c32)cc1 ZINC000040400051 554284547 /nfs/dbraw/zinc/28/45/47/554284547.db2.gz LRFBORBVCRFDRJ-KRWDZBQOSA-N 0 0 505.531 3.544 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1 ZINC000040400231 554284605 /nfs/dbraw/zinc/28/46/05/554284605.db2.gz DHDDXJARXGAZBJ-MRXNPFEDSA-N 0 0 500.437 3.555 40 0 KHABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1 ZINC000040400233 554284445 /nfs/dbraw/zinc/28/44/45/554284445.db2.gz DHDDXJARXGAZBJ-INIZCTEOSA-N 0 0 500.437 3.555 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1 ZINC000040400239 554284454 /nfs/dbraw/zinc/28/44/54/554284454.db2.gz RHMOFIWXDALXEX-MRXNPFEDSA-N 0 0 515.448 3.774 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[nH]c(=O)c32)cc1 ZINC000040400241 554284433 /nfs/dbraw/zinc/28/44/33/554284433.db2.gz RHMOFIWXDALXEX-INIZCTEOSA-N 0 0 515.448 3.774 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3)CC2)cc1 ZINC000040717441 554287737 /nfs/dbraw/zinc/28/77/37/554287737.db2.gz OIYNLSLZPJTKBF-UHFFFAOYSA-N 0 0 505.571 3.936 40 0 KHABRN O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2cc(=O)n3nc(-c4ccccc4)sc3n2)CC1 ZINC000041077099 554292265 /nfs/dbraw/zinc/29/22/65/554292265.db2.gz YQYFLFNXIAQWMY-UHFFFAOYSA-N 0 0 515.517 3.564 40 0 KHABRN Cc1ccn2c(c1)nc(C)c(Cc1nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n1C)c2=O ZINC000041078197 554293797 /nfs/dbraw/zinc/29/37/97/554293797.db2.gz LOXVNGYJPCCGBZ-UHFFFAOYSA-N 0 0 502.522 3.780 40 0 KHABRN COc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000041124377 1066882315 /nfs/dbraw/zinc/88/23/15/1066882315.db2.gz JRZSZHWFXIPELZ-UHFFFAOYSA-N 0 0 511.535 3.677 40 0 KHABRN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccc(OC)cc2OC)cc1 ZINC000041124379 1066882335 /nfs/dbraw/zinc/88/23/35/1066882335.db2.gz MSGHQMZZPYJENP-UHFFFAOYSA-N 0 0 523.571 3.547 40 0 KHABRN COc1ccc(-n2c(CNC(=O)c3ccco3)nnc2SCC(=O)Nc2cccc(C)c2)c(OC)c1 ZINC000041124382 1066882202 /nfs/dbraw/zinc/88/22/02/1066882202.db2.gz CSCWGDYAIZWULS-UHFFFAOYSA-N 0 0 507.572 3.847 40 0 KHABRN CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)[C@H]5O[C@@]534)[C@]21C ZINC000042803945 554296463 /nfs/dbraw/zinc/29/64/63/554296463.db2.gz KPDOJFFZKAUIOE-MFPNAYRGSA-N 0 0 514.571 3.690 40 0 biogenic KHABRN CO[C@H]1[C@@]2(O)c3ccccc3N3C(C)(C)[C@@H](C)[C@@]32N2C(=O)C3=Cc4c5ccccc5[nH]c4C(C)(C)C=CN3C(=O)[C@@]12O ZINC000042805135 291812859 /nfs/dbraw/zinc/81/28/59/291812859.db2.gz PNJDFZNVNWQTFD-POBIBMPOSA-N 0 0 566.658 3.534 40 0 biogenic,in-vitro KHABRN CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000042965302 1066882457 /nfs/dbraw/zinc/88/24/57/1066882457.db2.gz QZJJDOYZVRUEDY-NSCYIWFPSA-N 0 0 560.728 3.723 40 0 biogenic,in-vitro KHABRN COC(=O)N1CCC(n2ncc3c2nc(-c2ccc(NC(=O)Nc4ccc(CO)cc4)cc2)nc3N2CCOCC2)CC1 ZINC000043077644 554297411 /nfs/dbraw/zinc/29/74/11/554297411.db2.gz DLIGFKRUAOAIBA-UHFFFAOYSA-N 0 0 586.653 3.870 40 0 in-vitro KHABRN C[C@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1 ZINC000043202463 554298168 /nfs/dbraw/zinc/29/81/68/554298168.db2.gz VWMJHAFYPMOMGF-LURJTMIESA-N 0 0 506.297 3.979 40 0 KHABRN O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000043203371 554298116 /nfs/dbraw/zinc/29/81/16/554298116.db2.gz AZAANWYREOQRFB-SETSBSEESA-N 0 0 557.601 3.773 40 0 investigational KHABRN C[C@]1(CO)CN(c2cc(C(=O)Nc3ccc4c(c3)-c3c(c(C(N)=O)nn3-c3ccc(F)cc3)CC4)c(Cl)cn2)C[C@@]1(C)CO ZINC000043205342 554298007 /nfs/dbraw/zinc/29/80/07/554298007.db2.gz JUOWWGNRWRLBSV-MEKGRNQZSA-N 0 0 619.097 3.994 40 0 in-vitro KHABRN CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@@H](C)[C@@H]1O ZINC000043335375 554298409 /nfs/dbraw/zinc/29/84/09/554298409.db2.gz JLPDBLFIVFSOCC-KKFGKAOBSA-N 0 0 576.727 3.681 40 0 KHABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCN(c2ccccc2F)CC1 ZINC000044459956 554302232 /nfs/dbraw/zinc/30/22/32/554302232.db2.gz UOIGWBCERNVUJP-VWLOTQADSA-N 0 0 535.624 3.728 40 0 KHABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000044791689 554302682 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CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3OC)cc2Cl)CC1 ZINC000057313817 554354360 /nfs/dbraw/zinc/35/43/60/554354360.db2.gz INXCXFPZXUWLHX-UHFFFAOYSA-N 0 0 505.040 3.933 40 0 KHABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2nsnc2c1 ZINC000057313956 554354318 /nfs/dbraw/zinc/35/43/18/554354318.db2.gz WWIXZKGDUWCCAM-UHFFFAOYSA-N 0 0 502.625 3.781 40 0 KHABRN O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1ccc2nsnc2c1 ZINC000057314171 554354362 /nfs/dbraw/zinc/35/43/62/554354362.db2.gz XRSAHEHKULRLEK-UHFFFAOYSA-N 0 0 520.615 3.920 40 0 KHABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)c(Cl)c2)c(OC)c1 ZINC000057315920 554354586 /nfs/dbraw/zinc/35/45/86/554354586.db2.gz WGQYSTMVSFHFMZ-UHFFFAOYSA-N 0 0 505.040 3.789 40 0 KHABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000057315944 554354576 /nfs/dbraw/zinc/35/45/76/554354576.db2.gz NTDQHSJHQBBONV-WYMLVPIESA-N 0 0 510.641 3.555 40 0 KHABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c(OC)c1 ZINC000057316072 554354917 /nfs/dbraw/zinc/35/49/17/554354917.db2.gz KPTOYSPFCNDZBG-UHFFFAOYSA-N 0 0 504.612 3.793 40 0 KHABRN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)c(OC)c1 ZINC000057316169 554354912 /nfs/dbraw/zinc/35/49/12/554354912.db2.gz IAIWHSQPSNMZSO-UHFFFAOYSA-N 0 0 504.612 3.793 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccccc4OC)cc3)CC2)cc1 ZINC000057316302 554354904 /nfs/dbraw/zinc/35/49/04/554354904.db2.gz XMBPIYHPQIBQRQ-UHFFFAOYSA-N 0 0 504.612 3.793 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc(OC)c4)cc3)CC2)cc1 ZINC000057316306 554355071 /nfs/dbraw/zinc/35/50/71/554355071.db2.gz GXRUEDLHZQLANW-UHFFFAOYSA-N 0 0 504.612 3.793 40 0 KHABRN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)cc1 ZINC000057316312 554355119 /nfs/dbraw/zinc/35/51/19/554355119.db2.gz WHQMGKZWFKNLFM-UHFFFAOYSA-N 0 0 504.612 3.793 40 0 KHABRN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc(OC)c1OC ZINC000057316318 554355129 /nfs/dbraw/zinc/35/51/29/554355129.db2.gz IPYHRIKYZKFBFX-UHFFFAOYSA-N 0 0 514.648 3.534 40 0 KHABRN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)cc2)cc(OC)c1OC ZINC000057316322 554355081 /nfs/dbraw/zinc/35/50/81/554355081.db2.gz JIIDFPNJURUCLG-UHFFFAOYSA-N 0 0 514.648 3.534 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)CC2)cc1 ZINC000057316513 554355422 /nfs/dbraw/zinc/35/54/22/554355422.db2.gz AKMBQVVJHKLMGS-UHFFFAOYSA-N 0 0 504.612 3.550 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)COc4ccccc4C)cc3)CC2)cc1 ZINC000057316518 554355410 /nfs/dbraw/zinc/35/54/10/554355410.db2.gz JCCXQGBGMGWMBU-UHFFFAOYSA-N 0 0 518.639 3.858 40 0 KHABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000057327515 554356448 /nfs/dbraw/zinc/35/64/48/554356448.db2.gz NFTSNGREVWKKQI-UHFFFAOYSA-N 0 0 512.813 3.853 40 0 KHABRN CCOc1cc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc(OCC)c1OCC ZINC000057327717 554356513 /nfs/dbraw/zinc/35/65/13/554356513.db2.gz UWESNCBBLVDHQR-UHFFFAOYSA-N 0 0 531.631 3.633 40 0 KHABRN CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1Br ZINC000057327773 554356389 /nfs/dbraw/zinc/35/63/89/554356389.db2.gz WKECGQPYLFGZPP-UHFFFAOYSA-N 0 0 522.421 3.598 40 0 KHABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000057328235 554356474 /nfs/dbraw/zinc/35/64/74/554356474.db2.gz IWZZIIMIKDXCCM-UHFFFAOYSA-N 0 0 522.421 3.516 40 0 KHABRN COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000057333553 554356429 /nfs/dbraw/zinc/35/64/29/554356429.db2.gz QCFRLZKSJCIFPI-UHFFFAOYSA-N 0 0 500.720 3.820 40 0 KHABRN COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000057530809 554356763 /nfs/dbraw/zinc/35/67/63/554356763.db2.gz KOPBPISNAPNRAZ-VWLOTQADSA-N 0 0 502.550 3.993 40 0 KHABRN COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000057530811 554356800 /nfs/dbraw/zinc/35/68/00/554356800.db2.gz KOPBPISNAPNRAZ-RUZDIDTESA-N 0 0 502.550 3.993 40 0 KHABRN COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccc(OC)c1 ZINC000057530814 554356811 /nfs/dbraw/zinc/35/68/11/554356811.db2.gz HQEXIAYNJPGJPT-SANMLTNESA-N 0 0 514.586 3.863 40 0 KHABRN COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)N(Cc1ccco1)Cc1cccc(OC)c1 ZINC000057530817 554356791 /nfs/dbraw/zinc/35/67/91/554356791.db2.gz HQEXIAYNJPGJPT-AREMUKBSSA-N 0 0 514.586 3.863 40 0 KHABRN CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1ccco1)Cc1cccnc1 ZINC000057531059 554357381 /nfs/dbraw/zinc/35/73/81/554357381.db2.gz SIRYSMICDZAWLS-XMMPIXPASA-N 0 0 513.558 3.778 40 0 KHABRN CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N(Cc1ccco1)Cc1cccnc1 ZINC000057531063 554357350 /nfs/dbraw/zinc/35/73/50/554357350.db2.gz SIRYSMICDZAWLS-DEOSSOPVSA-N 0 0 513.558 3.778 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589582 554357732 /nfs/dbraw/zinc/35/77/32/554357732.db2.gz FJESRJBHTXRBDN-VWLOTQADSA-N 0 0 518.593 3.629 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589586 554357660 /nfs/dbraw/zinc/35/76/60/554357660.db2.gz FJESRJBHTXRBDN-RUZDIDTESA-N 0 0 518.593 3.629 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccccc2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589824 554357854 /nfs/dbraw/zinc/35/78/54/554357854.db2.gz XRNLJOZLJZMHFN-VWLOTQADSA-N 0 0 500.603 3.544 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589830 554357850 /nfs/dbraw/zinc/35/78/50/554357850.db2.gz XRNLJOZLJZMHFN-RUZDIDTESA-N 0 0 500.603 3.544 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589833 554357743 /nfs/dbraw/zinc/35/77/43/554357743.db2.gz BQWPOKSVGKFCHD-SANMLTNESA-N 0 0 530.629 3.553 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589835 554357761 /nfs/dbraw/zinc/35/77/61/554357761.db2.gz BQWPOKSVGKFCHD-AREMUKBSSA-N 0 0 530.629 3.553 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589838 554357706 /nfs/dbraw/zinc/35/77/06/554357706.db2.gz HRCHCGXNGTZOIS-VWLOTQADSA-N 0 0 518.593 3.683 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000057589840 554357834 /nfs/dbraw/zinc/35/78/34/554357834.db2.gz HRCHCGXNGTZOIS-RUZDIDTESA-N 0 0 518.593 3.683 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccccc2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589869 554357788 /nfs/dbraw/zinc/35/77/88/554357788.db2.gz PWDLWWCATLKIDI-VWLOTQADSA-N 0 0 500.603 3.544 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589873 554357804 /nfs/dbraw/zinc/35/78/04/554357804.db2.gz PWDLWWCATLKIDI-RUZDIDTESA-N 0 0 500.603 3.544 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589877 554357672 /nfs/dbraw/zinc/35/76/72/554357672.db2.gz BKRNRHHUYKGADM-SANMLTNESA-N 0 0 530.629 3.553 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589879 554357813 /nfs/dbraw/zinc/35/78/13/554357813.db2.gz BKRNRHHUYKGADM-AREMUKBSSA-N 0 0 530.629 3.553 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589880 554357817 /nfs/dbraw/zinc/35/78/17/554357817.db2.gz UHHHWXBLILGTOD-VWLOTQADSA-N 0 0 518.593 3.683 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589883 554357746 /nfs/dbraw/zinc/35/77/46/554357746.db2.gz UHHHWXBLILGTOD-RUZDIDTESA-N 0 0 518.593 3.683 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccccc2)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000057594442 554358005 /nfs/dbraw/zinc/35/80/05/554358005.db2.gz BJEBEXLMJVMZPC-VWLOTQADSA-N 0 0 500.603 3.544 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000057594447 554358114 /nfs/dbraw/zinc/35/81/14/554358114.db2.gz BJEBEXLMJVMZPC-RUZDIDTESA-N 0 0 500.603 3.544 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000057594456 554358069 /nfs/dbraw/zinc/35/80/69/554358069.db2.gz JCYAOFMFEBVAFW-SANMLTNESA-N 0 0 530.629 3.553 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000057594461 554358074 /nfs/dbraw/zinc/35/80/74/554358074.db2.gz JCYAOFMFEBVAFW-AREMUKBSSA-N 0 0 530.629 3.553 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000057594466 554358122 /nfs/dbraw/zinc/35/81/22/554358122.db2.gz HAPORNBDGHTWAH-VWLOTQADSA-N 0 0 518.593 3.683 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(C)c(C)cc3[nH]c2=O)CC1 ZINC000057594471 554358102 /nfs/dbraw/zinc/35/81/02/554358102.db2.gz HAPORNBDGHTWAH-RUZDIDTESA-N 0 0 518.593 3.683 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc(OCC)ccc3[nH]c2=O)CC1 ZINC000057594898 554358144 /nfs/dbraw/zinc/35/81/44/554358144.db2.gz RARLIPPCXHHJDA-DEOSSOPVSA-N 0 0 508.623 3.783 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc(OCC)ccc3[nH]c2=O)CC1 ZINC000057594903 554358541 /nfs/dbraw/zinc/35/85/41/554358541.db2.gz RARLIPPCXHHJDA-XMMPIXPASA-N 0 0 508.623 3.783 40 0 KHABRN COc1ccc(Cn2nnnc2[C@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)N(C)C2CCCCC2)cc1 ZINC000057594995 554358646 /nfs/dbraw/zinc/35/86/46/554358646.db2.gz NUWONRKGNYGUCM-SANMLTNESA-N 0 0 518.618 3.943 40 0 KHABRN COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)c(OC)cc3[nH]c2=O)N(C)C2CCCCC2)cc1 ZINC000057595001 554358513 /nfs/dbraw/zinc/35/85/13/554358513.db2.gz NUWONRKGNYGUCM-AREMUKBSSA-N 0 0 518.618 3.943 40 0 KHABRN COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000057608841 554360093 /nfs/dbraw/zinc/36/00/93/554360093.db2.gz MICLCRKCXLGZES-RUZDIDTESA-N 0 0 500.559 3.554 40 0 KHABRN COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N(Cc1ccco1)Cc1ccccc1 ZINC000057608843 554360110 /nfs/dbraw/zinc/36/01/10/554360110.db2.gz MICLCRKCXLGZES-VWLOTQADSA-N 0 0 500.559 3.554 40 0 KHABRN COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000057608889 554360512 /nfs/dbraw/zinc/36/05/12/554360512.db2.gz DELQSEBQRIDUQE-YADARESESA-N 0 0 522.606 3.650 40 0 KHABRN COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(Cc3ccco3)C[C@@H]3CCCO3)c(=O)[nH]c2cc1OC ZINC000057608894 554360461 /nfs/dbraw/zinc/36/04/61/554360461.db2.gz DELQSEBQRIDUQE-CYFREDJKSA-N 0 0 522.606 3.650 40 0 KHABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000057611383 554360521 /nfs/dbraw/zinc/36/05/21/554360521.db2.gz GICWANYBNFYUCN-JOCHJYFZSA-N 0 0 511.677 3.542 40 0 aggregator KHABRN Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000057611384 554360488 /nfs/dbraw/zinc/36/04/88/554360488.db2.gz GICWANYBNFYUCN-QFIPXVFZSA-N 0 0 511.677 3.542 40 0 aggregator KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2CCc2ccccc2)c2cc3cc(OCC)ccc3[nH]c2=O)CC1 ZINC000057613749 554360470 /nfs/dbraw/zinc/36/04/70/554360470.db2.gz YZCWXLSWZUKNRU-SANMLTNESA-N 0 0 530.629 3.521 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2CCc2ccccc2)c2cc3cc(OCC)ccc3[nH]c2=O)CC1 ZINC000057613753 554360550 /nfs/dbraw/zinc/36/05/50/554360550.db2.gz YZCWXLSWZUKNRU-AREMUKBSSA-N 0 0 530.629 3.521 40 0 KHABRN CCOC(=O)C1CCN([C@H](c2nnnn2CCc2ccccc2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057615735 554360444 /nfs/dbraw/zinc/36/04/44/554360444.db2.gz LYIQKHWZHSSLGV-SANMLTNESA-N 0 0 514.630 3.739 40 0 KHABRN CCOC(=O)C1CCN([C@@H](c2nnnn2CCc2ccccc2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000057615738 554360517 /nfs/dbraw/zinc/36/05/17/554360517.db2.gz LYIQKHWZHSSLGV-AREMUKBSSA-N 0 0 514.630 3.739 40 0 KHABRN COc1ccc(CN(Cc2nnnn2C2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 ZINC000057640361 554360531 /nfs/dbraw/zinc/36/05/31/554360531.db2.gz DAZFABSLAYQSLR-UHFFFAOYSA-N 0 0 504.591 3.858 40 0 KHABRN COc1cc2cc(CN(Cc3nnnn3C3CCCC3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c2cc1OC ZINC000057640365 554360481 /nfs/dbraw/zinc/36/04/81/554360481.db2.gz CJERUCNFVSMTAG-UHFFFAOYSA-N 0 0 518.574 3.578 40 0 KHABRN 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CC[C@H](c1nnnn1CCOC)N(Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641397 554362370 /nfs/dbraw/zinc/36/23/70/554362370.db2.gz VYYSZINDORMZMS-HSZRJFAPSA-N 0 0 506.607 3.640 40 0 KHABRN CC[C@@H](c1nnnn1CCOC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641630 554362730 /nfs/dbraw/zinc/36/27/30/554362730.db2.gz ZKJYISBFVJQQHF-QHCPKHFHSA-N 0 0 504.591 3.660 40 0 KHABRN CC[C@H](c1nnnn1CCOC)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641632 554362566 /nfs/dbraw/zinc/36/25/66/554362566.db2.gz ZKJYISBFVJQQHF-HSZRJFAPSA-N 0 0 504.591 3.660 40 0 KHABRN CC[C@@H](c1nnnn1CCOC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641973 554362943 /nfs/dbraw/zinc/36/29/43/554362943.db2.gz RTGLBIJNTMCCMO-QHCPKHFHSA-N 0 0 504.591 3.660 40 0 KHABRN CC[C@H](c1nnnn1CCOC)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641978 554363045 /nfs/dbraw/zinc/36/30/45/554363045.db2.gz RTGLBIJNTMCCMO-HSZRJFAPSA-N 0 0 504.591 3.660 40 0 KHABRN 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CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)Cc3ccccc3Cl)cc2c1 ZINC000057642884 554363893 /nfs/dbraw/zinc/36/38/93/554363893.db2.gz VCRFRGVAPRIJCU-QFIPXVFZSA-N 0 0 509.010 3.948 40 0 KHABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)Cc3ccccc3Cl)cc2c1 ZINC000057642890 554363966 /nfs/dbraw/zinc/36/39/66/554363966.db2.gz VCRFRGVAPRIJCU-JOCHJYFZSA-N 0 0 509.010 3.948 40 0 KHABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccc(F)cc1)Cc1ccc(F)cc1)OCO3 ZINC000057643209 554364134 /nfs/dbraw/zinc/36/41/34/554364134.db2.gz PYPVWNWJAFFIJN-UHFFFAOYSA-N 0 0 516.508 3.772 40 0 KHABRN Cc1cccc2cc(CN(Cc3nnnn3Cc3ccc(F)cc3)Cc3ccc4c(c3)OCO4)c(=O)[nH]c12 ZINC000057643232 554364248 /nfs/dbraw/zinc/36/42/48/554364248.db2.gz LHIAOSUBPHKVGP-UHFFFAOYSA-N 0 0 512.545 3.942 40 0 KHABRN Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccc(F)cc3)Cc3ccc4c(c3)OCO4)cc2c1 ZINC000057643241 554364353 /nfs/dbraw/zinc/36/43/53/554364353.db2.gz SZPBPJGARSYGAA-UHFFFAOYSA-N 0 0 512.545 3.942 40 0 KHABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccc(F)cc1)OCO3 ZINC000057643376 554364174 /nfs/dbraw/zinc/36/41/74/554364174.db2.gz ONUMVYCABGAGOA-UHFFFAOYSA-N 0 0 504.547 3.695 40 0 KHABRN O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O ZINC000058660574 554365394 /nfs/dbraw/zinc/36/53/94/554365394.db2.gz GCWCGSPBENFEPE-VWLOTQADSA-N 0 0 516.504 3.895 40 0 in-vitro KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000058827210 554365608 /nfs/dbraw/zinc/36/56/08/554365608.db2.gz QUMUNJWRNGTQRB-GJISQHIDSA-N 0 0 500.576 3.846 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000058827215 554365819 /nfs/dbraw/zinc/36/58/19/554365819.db2.gz QUMUNJWRNGTQRB-YVVITCHPSA-N 0 0 500.576 3.846 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccccc3OC)sc2=N1 ZINC000058840475 554365906 /nfs/dbraw/zinc/36/59/06/554365906.db2.gz GLMDDNJWZXDVFV-XXMKCSCWSA-N 0 0 522.623 3.604 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C\c3ccccc3OC)sc2=N1 ZINC000058840478 554365842 /nfs/dbraw/zinc/36/58/42/554365842.db2.gz GLMDDNJWZXDVFV-XSZPGNIMSA-N 0 0 522.623 3.604 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N1 ZINC000058840491 554366039 /nfs/dbraw/zinc/36/60/39/554366039.db2.gz BTUQFSAJTLZGLR-GJFKPFFXSA-N 0 0 522.623 3.604 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N1 ZINC000058840495 554365994 /nfs/dbraw/zinc/36/59/94/554365994.db2.gz BTUQFSAJTLZGLR-LWUPDDLQSA-N 0 0 522.623 3.604 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(F)cc3)sc2=N1 ZINC000058840513 554365948 /nfs/dbraw/zinc/36/59/48/554365948.db2.gz NZUWQCVWEYRWFB-YMSBRDKKSA-N 0 0 510.587 3.735 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(F)cc3)sc2=N1 ZINC000058840516 554365940 /nfs/dbraw/zinc/36/59/40/554365940.db2.gz NZUWQCVWEYRWFB-IGSWSUAKSA-N 0 0 510.587 3.735 40 0 KHABRN 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COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cc(Br)ccc2OC)c(OC)c1 ZINC000059210905 554385092 /nfs/dbraw/zinc/38/50/92/554385092.db2.gz XKHRDYRPAWXDES-FQEVSTJZSA-N 0 0 500.353 3.994 40 0 KHABRN COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cc(Br)ccc2OC)c(OC)c1 ZINC000059210907 554385089 /nfs/dbraw/zinc/38/50/89/554385089.db2.gz XKHRDYRPAWXDES-HXUWFJFHSA-N 0 0 500.353 3.994 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000059246204 517672741 /nfs/dbraw/zinc/67/27/41/517672741.db2.gz PWVZIPUHRIGTAX-CVMWMZFYSA-N 0 0 512.587 3.650 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000059246205 554386559 /nfs/dbraw/zinc/38/65/59/554386559.db2.gz PWVZIPUHRIGTAX-QAHUDSGCSA-N 0 0 512.587 3.650 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000059246206 554386558 /nfs/dbraw/zinc/38/65/58/554386558.db2.gz XWUZNLHHBGTXKK-LMTOTAIGSA-N 0 0 512.587 3.650 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000059246207 554386556 /nfs/dbraw/zinc/38/65/56/554386556.db2.gz XWUZNLHHBGTXKK-FGSNJIQSSA-N 0 0 512.587 3.650 40 0 KHABRN CCOC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@@H](c3ccc5c(c3)OCO5)C(C(=O)OCC)=C(C)N=4)o2)c1 ZINC000059247786 554386594 /nfs/dbraw/zinc/38/65/94/554386594.db2.gz FLBDMODZCRYSSV-MFCBUNOESA-N 0 0 586.622 3.964 40 0 KHABRN CCOC(=O)c1cccc(-c2ccc(/C=c3\sc4n(c3=O)[C@H](c3ccc5c(c3)OCO5)C(C(=O)OCC)=C(C)N=4)o2)c1 ZINC000059247788 193892773 /nfs/dbraw/zinc/89/27/73/193892773.db2.gz FLBDMODZCRYSSV-SUAMDDGLSA-N 0 0 586.622 3.964 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000059247815 554386910 /nfs/dbraw/zinc/38/69/10/554386910.db2.gz MADIWDNEGPLVCL-ZGOFBEGVSA-N 0 0 588.638 3.862 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000059247817 193893128 /nfs/dbraw/zinc/89/31/28/193893128.db2.gz 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CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000059331809 554391301 /nfs/dbraw/zinc/39/13/01/554391301.db2.gz FTCISLLRCYRDPP-UHFFFAOYSA-N 0 0 519.048 3.808 40 0 KHABRN CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000059331810 554391328 /nfs/dbraw/zinc/39/13/28/554391328.db2.gz PLZAPKRHTZGLHV-UHFFFAOYSA-N 0 0 519.048 3.808 40 0 KHABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1 ZINC000059331957 554392486 /nfs/dbraw/zinc/39/24/86/554392486.db2.gz XGKUFZYUCTVVNY-UHFFFAOYSA-N 0 0 518.433 3.945 40 0 KHABRN COc1ccccc1Cc1nc(-c2ccccc2)nn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1=S ZINC000059364699 554392935 /nfs/dbraw/zinc/39/29/35/554392935.db2.gz FGNLENOTGHPLKF-FEWUNMPKSA-N 0 0 639.683 3.530 40 0 KHABRN COc1ccccc1Cc1nc(-c2ccccc2)nn([C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1=S ZINC000059364702 193896371 /nfs/dbraw/zinc/89/63/71/193896371.db2.gz FGNLENOTGHPLKF-LOLMJFKOSA-N 0 0 639.683 3.530 40 0 KHABRN COc1ccccc1Cc1nc(-c2ccccc2)nn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1=S ZINC000059364705 554392787 /nfs/dbraw/zinc/39/27/87/554392787.db2.gz FGNLENOTGHPLKF-NQPVIYSZSA-N 0 0 639.683 3.530 40 0 KHABRN COc1ccccc1Cc1nc(-c2ccccc2)nn([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1=S ZINC000059364708 193896381 /nfs/dbraw/zinc/89/63/81/193896381.db2.gz FGNLENOTGHPLKF-IMXDQWJESA-N 0 0 639.683 3.530 40 0 KHABRN COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1 ZINC000059417636 554393810 /nfs/dbraw/zinc/39/38/10/554393810.db2.gz YCSIBZRTNYWXPS-UHFFFAOYSA-N 0 0 505.643 3.988 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000059418397 554394450 /nfs/dbraw/zinc/39/44/50/554394450.db2.gz YOBBNYIEXKVULP-CBYYHRJHSA-N 0 0 506.624 3.939 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000059418398 554394466 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/nfs/dbraw/zinc/39/45/82/554394582.db2.gz OWSVTDFNXARSLO-JCAJYURWSA-N 0 0 501.029 3.879 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000059418510 554394616 /nfs/dbraw/zinc/39/46/16/554394616.db2.gz QIMPGBXTLCHDAR-FCKOQQNDSA-N 0 0 524.664 3.928 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000059418511 554394646 /nfs/dbraw/zinc/39/46/46/554394646.db2.gz QIMPGBXTLCHDAR-DLBLZJNESA-N 0 0 524.664 3.928 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000059418512 554394578 /nfs/dbraw/zinc/39/45/78/554394578.db2.gz FDSUJLKXOQMMKT-CVGPFBNFSA-N 0 0 510.637 3.625 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000059418513 554394642 /nfs/dbraw/zinc/39/46/42/554394642.db2.gz FDSUJLKXOQMMKT-LJJBLSSYSA-N 0 0 510.637 3.625 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(C)(C)C)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000059418595 554394933 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/nfs/dbraw/zinc/39/55/26/554395526.db2.gz ZPSKAEOKWGXPSJ-XXMKCSCWSA-N 0 0 506.624 3.842 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000059433685 554395609 /nfs/dbraw/zinc/39/56/09/554395609.db2.gz MXRWQMGMTKFJEI-VGPFOZRTSA-N 0 0 517.390 3.834 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000059433686 554395523 /nfs/dbraw/zinc/39/55/23/554395523.db2.gz MXRWQMGMTKFJEI-KYRPUADMSA-N 0 0 517.390 3.834 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000059437426 554395785 /nfs/dbraw/zinc/39/57/85/554395785.db2.gz ACIMNDTXJCPKOX-QEYQTOMISA-N 0 0 527.646 3.900 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000059437428 554395747 /nfs/dbraw/zinc/39/57/47/554395747.db2.gz ACIMNDTXJCPKOX-OXIKZWMZSA-N 0 0 527.646 3.900 40 0 KHABRN COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059444168 554396043 /nfs/dbraw/zinc/39/60/43/554396043.db2.gz BABQEDDTRWMKGD-UHFFFAOYSA-N 0 0 504.992 3.878 40 0 KHABRN COc1ccc(N(CC(=O)Nc2cc(C)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059444180 554396096 /nfs/dbraw/zinc/39/60/96/554396096.db2.gz RJTGLKICMJFGPI-UHFFFAOYSA-N 0 0 500.573 3.863 40 0 KHABRN COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059444194 554396084 /nfs/dbraw/zinc/39/60/84/554396084.db2.gz BITPEIHBBDMZKS-UHFFFAOYSA-N 0 0 500.573 3.551 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059444195 554396128 /nfs/dbraw/zinc/39/61/28/554396128.db2.gz RTHNUBSYOPNJGR-UHFFFAOYSA-N 0 0 512.584 3.710 40 0 KHABRN CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000059459798 554396216 /nfs/dbraw/zinc/39/62/16/554396216.db2.gz LVVPSGFRIUISSM-UHFFFAOYSA-N 0 0 500.573 3.945 40 0 KHABRN COc1ccccc1OCCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000059475225 193900024 /nfs/dbraw/zinc/90/00/24/193900024.db2.gz PCRJDALTQNUPFE-UHFFFAOYSA-N 0 0 519.417 3.848 40 0 KHABRN COc1cccc(OCCNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059475226 554397115 /nfs/dbraw/zinc/39/71/15/554397115.db2.gz IVKOGAWPLZTDNT-UHFFFAOYSA-N 0 0 519.417 3.848 40 0 KHABRN COc1ccc(OCCNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059475227 554397117 /nfs/dbraw/zinc/39/71/17/554397117.db2.gz GGANKTHGMUGLOF-UHFFFAOYSA-N 0 0 519.417 3.848 40 0 KHABRN CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000059483258 554397094 /nfs/dbraw/zinc/39/70/94/554397094.db2.gz BPIHIDPZAIEUSQ-UHFFFAOYSA-N 0 0 531.495 3.891 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000059490218 554398999 /nfs/dbraw/zinc/39/89/99/554398999.db2.gz ZHBQDMOAPCQZKV-UHFFFAOYSA-N 0 0 514.531 3.608 40 0 KHABRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCOCC6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000059513119 554400499 /nfs/dbraw/zinc/40/04/99/554400499.db2.gz VOEOSWJFLQJXEC-ZYSRDMNZSA-N 0 0 525.630 3.757 40 0 KHABRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCOCC6)o5)c(=O)n42)c2ccccc2CC3)cc1 ZINC000059513120 554400735 /nfs/dbraw/zinc/40/07/35/554400735.db2.gz VOEOSWJFLQJXEC-QPWQWLJXSA-N 0 0 525.630 3.757 40 0 KHABRN Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(C)c(N(C)S(=O)(=O)c4ccccc4)c3C)CC2)cc1 ZINC000059528106 554406749 /nfs/dbraw/zinc/40/67/49/554406749.db2.gz UAXUORRQWCMGSZ-UHFFFAOYSA-N 0 0 557.738 3.822 40 0 KHABRN CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3sc(C(C)=O)c(C)c3C(=O)OC)o2)cc1 ZINC000059530801 554406782 /nfs/dbraw/zinc/40/67/82/554406782.db2.gz LQDVXZIYASQSDY-UHFFFAOYSA-N 0 0 538.629 3.588 40 0 KHABRN CC(=O)N1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)c(C)c3)nc(OS(=O)(=O)c3ccc(F)c(C)c3)c2C1 ZINC000059531205 554406856 /nfs/dbraw/zinc/40/68/56/554406856.db2.gz QAKRYKCGTZGCLJ-AREMUKBSSA-N 0 0 620.700 3.960 40 0 KHABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)c(C)c3)nc(OS(=O)(=O)c3ccc(F)c(C)c3)c2C1 ZINC000059531206 554406884 /nfs/dbraw/zinc/40/68/84/554406884.db2.gz QAKRYKCGTZGCLJ-SANMLTNESA-N 0 0 620.700 3.960 40 0 KHABRN CCCn1cc(S(=O)(=O)N(c2c(C)c(-c3ccc(OC)cc3)nn2C)S(=O)(=O)c2cn(CCC)nc2C)c(C)n1 ZINC000059531225 554406891 /nfs/dbraw/zinc/40/68/91/554406891.db2.gz JFWBMILFNWOCEJ-UHFFFAOYSA-N 0 0 589.744 3.818 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cccs1 ZINC000059534602 554406901 /nfs/dbraw/zinc/40/69/01/554406901.db2.gz YAHDHFBDJOLSSL-INJUALFYSA-N 0 0 503.649 3.952 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cccs1 ZINC000059534606 554406858 /nfs/dbraw/zinc/40/68/58/554406858.db2.gz YAHDHFBDJOLSSL-VOZFUJEASA-N 0 0 503.649 3.952 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000059600067 554409188 /nfs/dbraw/zinc/40/91/88/554409188.db2.gz YLPWERABODIPAR-UQTDQPHJSA-N 0 0 500.551 3.780 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000059600072 554409166 /nfs/dbraw/zinc/40/91/66/554409166.db2.gz YLPWERABODIPAR-YHHBSCGTSA-N 0 0 500.551 3.780 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000059600491 554409212 /nfs/dbraw/zinc/40/92/12/554409212.db2.gz ACVOPXVTBWOKGJ-AQIZGWBQSA-N 0 0 516.598 3.740 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccnc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000059600494 554409220 /nfs/dbraw/zinc/40/92/20/554409220.db2.gz ACVOPXVTBWOKGJ-ZDGAQAAHSA-N 0 0 516.598 3.740 40 0 KHABRN CN(CCCNC(=O)c1ccccc1I)C(=O)c1ccccc1I ZINC000059608785 554411634 /nfs/dbraw/zinc/41/16/34/554411634.db2.gz ATFBBUROEBKYHH-UHFFFAOYSA-N 0 0 548.162 3.788 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1O ZINC000059638989 554416620 /nfs/dbraw/zinc/41/66/20/554416620.db2.gz KGSXREWWMICRJV-PZHBDVNGSA-N 0 0 503.605 3.650 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1O ZINC000059638993 554416647 /nfs/dbraw/zinc/41/66/47/554416647.db2.gz KGSXREWWMICRJV-FBHQFGEZSA-N 0 0 503.605 3.650 40 0 KHABRN Cn1c2c(nc(SCc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000059639097 554416691 /nfs/dbraw/zinc/41/66/91/554416691.db2.gz VEGCYDONGSXTGY-UHFFFAOYSA-N 0 0 505.383 3.810 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(C)cc(C)c2)cc1OC ZINC000059646266 554417230 /nfs/dbraw/zinc/41/72/30/554417230.db2.gz QGLXSKKKMXUZDC-UHFFFAOYSA-N 0 0 564.664 3.952 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059646641 554417447 /nfs/dbraw/zinc/41/74/47/554417447.db2.gz ZRGNXNRFLKLURW-UHFFFAOYSA-N 0 0 605.760 3.662 40 0 KHABRN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000059646896 554417485 /nfs/dbraw/zinc/41/74/85/554417485.db2.gz GZKHVNKLDQQADY-UHFFFAOYSA-N 0 0 557.694 3.543 40 0 KHABRN CCOC(=O)C1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000059647190 554417715 /nfs/dbraw/zinc/41/77/15/554417715.db2.gz FBRSIBKQXARKGA-UHFFFAOYSA-N 0 0 553.475 3.763 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(C)cc2)cc1 ZINC000059651221 554418247 /nfs/dbraw/zinc/41/82/47/554418247.db2.gz DLLITJSQGDEFPK-UHFFFAOYSA-N 0 0 551.665 3.662 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059651374 554418318 /nfs/dbraw/zinc/41/83/18/554418318.db2.gz GUADAYZHKIZTBX-UHFFFAOYSA-N 0 0 573.693 3.712 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2cc(C)cc(C)c2)cc1OC ZINC000059652064 554419341 /nfs/dbraw/zinc/41/93/41/554419341.db2.gz JOMSKBDHSWCHHU-UHFFFAOYSA-N 0 0 567.664 3.627 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652295 554419542 /nfs/dbraw/zinc/41/95/42/554419542.db2.gz WYVSLFLDKICNGP-UHFFFAOYSA-N 0 0 558.056 3.963 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000059652309 554419550 /nfs/dbraw/zinc/41/95/50/554419550.db2.gz MXHNPAKEMPDOJD-UHFFFAOYSA-N 0 0 544.029 3.655 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059652331 554419508 /nfs/dbraw/zinc/41/95/08/554419508.db2.gz OSAKBZYYHNAUIE-UHFFFAOYSA-N 0 0 537.638 3.700 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652361 554419822 /nfs/dbraw/zinc/41/98/22/554419822.db2.gz YRMAZQITAZQOHK-UHFFFAOYSA-N 0 0 537.638 3.618 40 0 KHABRN COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 ZINC000059652589 554420125 /nfs/dbraw/zinc/42/01/25/554420125.db2.gz JRDSADDIXZWQPX-UHFFFAOYSA-N 0 0 588.480 3.764 40 0 KHABRN COc1ccc(CCNC(=O)NC[C@@H]2CCC[C@H](CNC(=O)NCCc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000059663289 554421250 /nfs/dbraw/zinc/42/12/50/554421250.db2.gz RPWVMXZPJIRTMF-PSWAGMNNSA-N 0 0 556.704 3.911 40 0 KHABRN COc1ccc(CCNC(=O)NC[C@H]2CCC[C@H](CNC(=O)NCCc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000059663296 554421298 /nfs/dbraw/zinc/42/12/98/554421298.db2.gz RPWVMXZPJIRTMF-ZEQRLZLVSA-N 0 0 556.704 3.911 40 0 KHABRN COc1ccc(CCNC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)NCCc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000059663300 554421351 /nfs/dbraw/zinc/42/13/51/554421351.db2.gz RPWVMXZPJIRTMF-DNQXCXABSA-N 0 0 556.704 3.911 40 0 KHABRN Cc1ccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c(C)c1 ZINC000059671348 554422045 /nfs/dbraw/zinc/42/20/45/554422045.db2.gz AZLMVVZRVKHBAB-MJGOQNOKSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c(C)c1 ZINC000059671349 554422019 /nfs/dbraw/zinc/42/20/19/554422019.db2.gz AZLMVVZRVKHBAB-HKUYNNGSSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1ccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)c(C)c1 ZINC000059671350 554422009 /nfs/dbraw/zinc/42/20/09/554422009.db2.gz AZLMVVZRVKHBAB-IEBWSBKVSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1ccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)c(C)c1 ZINC000059671351 554422015 /nfs/dbraw/zinc/42/20/15/554422015.db2.gz AZLMVVZRVKHBAB-PKOBYXMFSA-N 0 0 526.453 3.919 40 0 KHABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000059671357 554422011 /nfs/dbraw/zinc/42/20/11/554422011.db2.gz QWINSKADRIZEJC-MJGOQNOKSA-N 0 0 526.453 3.864 40 0 KHABRN CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000059671358 554422025 /nfs/dbraw/zinc/42/20/25/554422025.db2.gz QWINSKADRIZEJC-HKUYNNGSSA-N 0 0 526.453 3.864 40 0 KHABRN CCc1ccccc1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000059671359 554422194 /nfs/dbraw/zinc/42/21/94/554422194.db2.gz QWINSKADRIZEJC-IEBWSBKVSA-N 0 0 526.453 3.864 40 0 KHABRN CCc1ccccc1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000059671360 554422242 /nfs/dbraw/zinc/42/22/42/554422242.db2.gz QWINSKADRIZEJC-PKOBYXMFSA-N 0 0 526.453 3.864 40 0 KHABRN Cc1cccc(C)c1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000059671365 554422228 /nfs/dbraw/zinc/42/22/28/554422228.db2.gz MQJFDSSOKLYANA-AEFFLSMTSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(C)c1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F ZINC000059671366 554422278 /nfs/dbraw/zinc/42/22/78/554422278.db2.gz MQJFDSSOKLYANA-WMZOPIPTSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(C)c1NC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000059671367 554422222 /nfs/dbraw/zinc/42/22/22/554422222.db2.gz MQJFDSSOKLYANA-SJLPKXTDSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(C)c1NC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F ZINC000059671368 554422274 /nfs/dbraw/zinc/42/22/74/554422274.db2.gz MQJFDSSOKLYANA-FUHWJXTLSA-N 0 0 526.453 3.919 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F)Nc1cccc(Cl)c1 ZINC000059671373 554422232 /nfs/dbraw/zinc/42/22/32/554422232.db2.gz JUGYBRPXOJXLFH-WBVHZDCISA-N 0 0 532.844 3.955 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F)Nc1cccc(Cl)c1 ZINC000059671374 554422252 /nfs/dbraw/zinc/42/22/52/554422252.db2.gz JUGYBRPXOJXLFH-RDJZCZTQSA-N 0 0 532.844 3.955 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F)Nc1cccc(Cl)c1 ZINC000059671375 554422212 /nfs/dbraw/zinc/42/22/12/554422212.db2.gz JUGYBRPXOJXLFH-NVXWUHKLSA-N 0 0 532.844 3.955 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F)Nc1cccc(Cl)c1 ZINC000059671376 554422180 /nfs/dbraw/zinc/42/21/80/554422180.db2.gz JUGYBRPXOJXLFH-DOTOQJQBSA-N 0 0 532.844 3.955 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671385 554422215 /nfs/dbraw/zinc/42/22/15/554422215.db2.gz GTYOPCHEAQUXBE-ZWKOTPCHSA-N 0 0 528.881 3.812 40 0 KHABRN O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671386 554422205 /nfs/dbraw/zinc/42/22/05/554422205.db2.gz GTYOPCHEAQUXBE-ROUUACIJSA-N 0 0 528.881 3.812 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671387 554422234 /nfs/dbraw/zinc/42/22/34/554422234.db2.gz GTYOPCHEAQUXBE-QZTJIDSGSA-N 0 0 528.881 3.812 40 0 KHABRN O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671388 554422259 /nfs/dbraw/zinc/42/22/59/554422259.db2.gz GTYOPCHEAQUXBE-MSOLQXFVSA-N 0 0 528.881 3.812 40 0 KHABRN Cc1ccc(C)c(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1 ZINC000059671411 554422535 /nfs/dbraw/zinc/42/25/35/554422535.db2.gz VDMOCAOYGWMPPV-MJGOQNOKSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1ccc(C)c(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1 ZINC000059671412 554422558 /nfs/dbraw/zinc/42/25/58/554422558.db2.gz VDMOCAOYGWMPPV-HKUYNNGSSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1ccc(C)c(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)c1 ZINC000059671413 554422494 /nfs/dbraw/zinc/42/24/94/554422494.db2.gz VDMOCAOYGWMPPV-IEBWSBKVSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1ccc(C)c(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)c1 ZINC000059671414 554422531 /nfs/dbraw/zinc/42/25/31/554422531.db2.gz VDMOCAOYGWMPPV-PKOBYXMFSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1C ZINC000059671419 554422560 /nfs/dbraw/zinc/42/25/60/554422560.db2.gz HMTIBKPKSKTWAD-MJGOQNOKSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Br)cc2F)c1C ZINC000059671420 554422525 /nfs/dbraw/zinc/42/25/25/554422525.db2.gz HMTIBKPKSKTWAD-HKUYNNGSSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(NC(=O)CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)c1C ZINC000059671422 554422739 /nfs/dbraw/zinc/42/27/39/554422739.db2.gz HMTIBKPKSKTWAD-IEBWSBKVSA-N 0 0 526.453 3.919 40 0 KHABRN Cc1cccc(NC(=O)CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(Br)cc2F)c1C ZINC000059671424 554422751 /nfs/dbraw/zinc/42/27/51/554422751.db2.gz HMTIBKPKSKTWAD-PKOBYXMFSA-N 0 0 526.453 3.919 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3nc4ccc(C)cc4s3)C2=O)cc1 ZINC000059690801 554424608 /nfs/dbraw/zinc/42/46/08/554424608.db2.gz FCACBVUKGLELPJ-WQRHYEAKSA-N 0 0 524.580 3.938 40 0 KHABRN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC4(CC3)OCCO4)s2)cc1 ZINC000059690973 554425110 /nfs/dbraw/zinc/42/51/10/554425110.db2.gz CXWUGYWXZUPJNU-UHFFFAOYSA-N 0 0 534.681 3.769 40 0 KHABRN O=C(c1cc2cc(Br)ccc2oc1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 ZINC000059722843 554426534 /nfs/dbraw/zinc/42/65/34/554426534.db2.gz ADRIDYMKZYASEL-UHFFFAOYSA-N 0 0 541.789 3.717 40 0 KHABRN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780940 554429618 /nfs/dbraw/zinc/42/96/18/554429618.db2.gz RDAAPJCRNMVOPK-HHHXNRCGSA-N 0 0 562.070 3.610 40 0 KHABRN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780946 554429537 /nfs/dbraw/zinc/42/95/37/554429537.db2.gz RDAAPJCRNMVOPK-MHZLTWQESA-N 0 0 562.070 3.610 40 0 KHABRN CCOC(=O)c1cnc(N2CCCCC2)nc1/C=C/c1cn(CCc2ncc[nH]2)c(=O)c2cnc(N3CCCCC3)nc12 ZINC000059781651 554429936 /nfs/dbraw/zinc/42/99/36/554429936.db2.gz ZNBSFRNWARVMSJ-MDZDMXLPSA-N 0 0 583.697 3.875 40 0 KHABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@@H](c3nnnn3CCN3CCOCC3)C(C)C)cc2c1 ZINC000059785285 554430413 /nfs/dbraw/zinc/43/04/13/554430413.db2.gz TUIDALUTYBXXBJ-MUUNZHRXSA-N 0 0 547.679 3.948 40 0 KHABRN CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3CCN3CCOCC3)C(C)C)cc2c1 ZINC000059785288 554430209 /nfs/dbraw/zinc/43/02/09/554430209.db2.gz TUIDALUTYBXXBJ-NDEPHWFRSA-N 0 0 547.679 3.948 40 0 KHABRN COCc1nn2c(nnc(C(=O)N3CCN(Cc4ccccc4)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000059816371 554430712 /nfs/dbraw/zinc/43/07/12/554430712.db2.gz MHSCLRNBYMKJEL-UHFFFAOYSA-N 0 0 535.446 3.967 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000059833856 554432923 /nfs/dbraw/zinc/43/29/23/554432923.db2.gz FUWTZPYZFNALJP-QHCPKHFHSA-N 0 0 540.638 3.944 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000059833859 554432930 /nfs/dbraw/zinc/43/29/30/554432930.db2.gz FUWTZPYZFNALJP-HSZRJFAPSA-N 0 0 540.638 3.944 40 0 KHABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc(C(=O)OC)c1 ZINC000059833862 554432852 /nfs/dbraw/zinc/43/28/52/554432852.db2.gz ILCPRKYGNWZFJD-DEOSSOPVSA-N 0 0 538.622 3.713 40 0 KHABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2c(C)cc(C)cc2C)cc(C(=O)OC)c1 ZINC000059833864 554432919 /nfs/dbraw/zinc/43/29/19/554432919.db2.gz ILCPRKYGNWZFJD-XMMPIXPASA-N 0 0 538.622 3.713 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(I)cc2)cc1OC ZINC000059833892 554432948 /nfs/dbraw/zinc/43/29/48/554432948.db2.gz NIJIRFVTUOPZLG-FQEVSTJZSA-N 0 0 566.417 3.837 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(I)cc2)cc1OC ZINC000059833893 554432950 /nfs/dbraw/zinc/43/29/50/554432950.db2.gz NIJIRFVTUOPZLG-HXUWFJFHSA-N 0 0 566.417 3.837 40 0 KHABRN COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl ZINC000059833956 554433350 /nfs/dbraw/zinc/43/33/50/554433350.db2.gz KPCWZFBFCAURHU-FQEVSTJZSA-N 0 0 535.018 3.903 40 0 KHABRN COc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl ZINC000059833959 554433327 /nfs/dbraw/zinc/43/33/27/554433327.db2.gz KPCWZFBFCAURHU-HXUWFJFHSA-N 0 0 535.018 3.903 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000059834012 554433447 /nfs/dbraw/zinc/43/34/47/554433447.db2.gz AWMIHMKGEVLQGM-JOCHJYFZSA-N 0 0 533.046 3.614 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000059834016 554433388 /nfs/dbraw/zinc/43/33/88/554433388.db2.gz AWMIHMKGEVLQGM-QFIPXVFZSA-N 0 0 533.046 3.614 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000059834097 554433734 /nfs/dbraw/zinc/43/37/34/554433734.db2.gz TVNUZSIBXCMJSI-NRFANRHFSA-N 0 0 563.028 3.681 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000059834101 554433779 /nfs/dbraw/zinc/43/37/79/554433779.db2.gz TVNUZSIBXCMJSI-OAQYLSRUSA-N 0 0 563.028 3.681 40 0 KHABRN O=C(Nc1ccc(I)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000059834281 554434195 /nfs/dbraw/zinc/43/41/95/554434195.db2.gz RCTHLOWCSGXUKH-FQEVSTJZSA-N 0 0 524.355 3.959 40 0 KHABRN O=C(Nc1ccc(I)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000059834283 554434166 /nfs/dbraw/zinc/43/41/66/554434166.db2.gz RCTHLOWCSGXUKH-HXUWFJFHSA-N 0 0 524.355 3.959 40 0 KHABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000059834391 554434423 /nfs/dbraw/zinc/43/44/23/554434423.db2.gz PGSLAMPKJDOZQT-OAQYLSRUSA-N 0 0 533.046 3.614 40 0 KHABRN COc1ccc(CCNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC ZINC000059834395 554434411 /nfs/dbraw/zinc/43/44/11/554434411.db2.gz PGSLAMPKJDOZQT-NRFANRHFSA-N 0 0 533.046 3.614 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000059834487 554434606 /nfs/dbraw/zinc/43/46/06/554434606.db2.gz FOSNWJXSLDNVJI-FQEVSTJZSA-N 0 0 563.028 3.681 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000059834490 554434626 /nfs/dbraw/zinc/43/46/26/554434626.db2.gz FOSNWJXSLDNVJI-HXUWFJFHSA-N 0 0 563.028 3.681 40 0 KHABRN COc1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000059834677 554435349 /nfs/dbraw/zinc/43/53/49/554435349.db2.gz ZSLJSMXXDXQRIY-UHFFFAOYSA-N 0 0 533.444 3.974 40 0 KHABRN COc1ccc([C@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000059834858 554435573 /nfs/dbraw/zinc/43/55/73/554435573.db2.gz MRJNTSPYLJDNKW-FQEVSTJZSA-N 0 0 542.654 3.832 40 0 KHABRN COc1ccc([C@@H](C)NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000059834866 554435642 /nfs/dbraw/zinc/43/56/42/554435642.db2.gz MRJNTSPYLJDNKW-HXUWFJFHSA-N 0 0 542.654 3.832 40 0 KHABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059834896 554435861 /nfs/dbraw/zinc/43/58/61/554435861.db2.gz DOKUENAPLMWIHV-SFHVURJKSA-N 0 0 544.626 3.802 40 0 KHABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059834900 554435901 /nfs/dbraw/zinc/43/59/01/554435901.db2.gz DOKUENAPLMWIHV-GOSISDBHSA-N 0 0 544.626 3.802 40 0 KHABRN COc1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059835142 554436408 /nfs/dbraw/zinc/43/64/08/554436408.db2.gz XXZNTVSNTDNRRS-UHFFFAOYSA-N 0 0 533.444 3.974 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000059836425 554439700 /nfs/dbraw/zinc/43/97/00/554439700.db2.gz NFHIKDBJVAHUGP-UHFFFAOYSA-N 0 0 533.046 3.916 40 0 KHABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1OC ZINC000059836993 554441630 /nfs/dbraw/zinc/44/16/30/554441630.db2.gz UNNVCSFNIYJWQX-UHFFFAOYSA-N 0 0 535.416 3.962 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccccc2)cc1 ZINC000059837386 554443126 /nfs/dbraw/zinc/44/31/26/554443126.db2.gz JGOQMYLESZOCHA-UHFFFAOYSA-N 0 0 555.722 3.677 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059837396 554443060 /nfs/dbraw/zinc/44/30/60/554443060.db2.gz KFFXRCJOSYBOCD-UHFFFAOYSA-N 0 0 569.749 3.719 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CCCCC2)cc1 ZINC000059837403 554443088 /nfs/dbraw/zinc/44/30/88/554443088.db2.gz PGNVPOATSXOXJH-UHFFFAOYSA-N 0 0 547.743 3.809 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000059837414 554443063 /nfs/dbraw/zinc/44/30/63/554443063.db2.gz OEEBIVVUVJHCBO-UHFFFAOYSA-N 0 0 576.140 3.940 40 0 KHABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837425 554443075 /nfs/dbraw/zinc/44/30/75/554443075.db2.gz OJPMJPNZMNRGCI-UHFFFAOYSA-N 0 0 562.113 3.632 40 0 KHABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837436 554443072 /nfs/dbraw/zinc/44/30/72/554443072.db2.gz ASHJDDJOPLOCGB-UHFFFAOYSA-N 0 0 576.140 3.674 40 0 KHABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837447 554443054 /nfs/dbraw/zinc/44/30/54/554443054.db2.gz JLLQQXQYXRHKIW-UHFFFAOYSA-N 0 0 576.911 3.802 40 0 KHABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837459 554443052 /nfs/dbraw/zinc/44/30/52/554443052.db2.gz TXDKODKTRBRIFM-UHFFFAOYSA-N 0 0 606.564 3.741 40 0 KHABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837473 554443395 /nfs/dbraw/zinc/44/33/95/554443395.db2.gz MKCYBZZLVASKDM-UHFFFAOYSA-N 0 0 620.591 3.783 40 0 KHABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837484 554443352 /nfs/dbraw/zinc/44/33/52/554443352.db2.gz KQYAPAZYBBYWMZ-UHFFFAOYSA-N 0 0 598.585 3.873 40 0 KHABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059837490 554443425 /nfs/dbraw/zinc/44/34/25/554443425.db2.gz CWTOEJXIHJOHQJ-UHFFFAOYSA-N 0 0 559.685 3.508 40 0 KHABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059837498 554443332 /nfs/dbraw/zinc/44/33/32/554443332.db2.gz OKZPJRYGHCYTHQ-UHFFFAOYSA-N 0 0 551.706 3.640 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CCCCC2)cc1OC ZINC000059837571 554443635 /nfs/dbraw/zinc/44/36/35/554443635.db2.gz UBYBYXSMYYWPBV-UHFFFAOYSA-N 0 0 593.768 3.518 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000059837581 554443673 /nfs/dbraw/zinc/44/36/73/554443673.db2.gz JCVRLDKEKSCFKV-UHFFFAOYSA-N 0 0 570.520 3.751 40 0 KHABRN O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837590 554443679 /nfs/dbraw/zinc/44/36/79/554443679.db2.gz HHCKACYZVQJJGO-UHFFFAOYSA-N 0 0 612.557 3.522 40 0 KHABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059837592 554443665 /nfs/dbraw/zinc/44/36/65/554443665.db2.gz XYYRJAZNCXUDKB-UHFFFAOYSA-N 0 0 569.749 3.985 40 0 KHABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059837595 554443592 /nfs/dbraw/zinc/44/35/92/554443592.db2.gz YVHUPDRASYNISS-UHFFFAOYSA-N 0 0 555.722 3.595 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000059837615 554443630 /nfs/dbraw/zinc/44/36/30/554443630.db2.gz BDIMFPGAVRBKHJ-UHFFFAOYSA-N 0 0 626.584 3.830 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837620 554443638 /nfs/dbraw/zinc/44/36/38/554443638.db2.gz ANVAXUOENIKNJC-UHFFFAOYSA-N 0 0 570.520 3.751 40 0 KHABRN O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837627 554443651 /nfs/dbraw/zinc/44/36/51/554443651.db2.gz KHSWQLSRRKVHPQ-UHFFFAOYSA-N 0 0 612.557 3.522 40 0 KHABRN O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837637 554443830 /nfs/dbraw/zinc/44/38/30/554443830.db2.gz ZKBCEKNXGOYPKR-UHFFFAOYSA-N 0 0 606.564 3.741 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000059837644 554443847 /nfs/dbraw/zinc/44/38/47/554443847.db2.gz QITNTCMUPDALEV-UHFFFAOYSA-N 0 0 570.520 3.751 40 0 KHABRN O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837652 554443914 /nfs/dbraw/zinc/44/39/14/554443914.db2.gz GJIUHQUDTXZEAS-UHFFFAOYSA-N 0 0 612.557 3.522 40 0 KHABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837657 554443875 /nfs/dbraw/zinc/44/38/75/554443875.db2.gz RNFNEHKVKXMHCC-UHFFFAOYSA-N 0 0 576.140 3.940 40 0 KHABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837668 554443902 /nfs/dbraw/zinc/44/39/02/554443902.db2.gz ROZUKBOGSNRSEI-UHFFFAOYSA-N 0 0 580.103 3.771 40 0 KHABRN Cc1cccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059837677 554443851 /nfs/dbraw/zinc/44/38/51/554443851.db2.gz IJZZLPSQMNQJDV-UHFFFAOYSA-N 0 0 576.140 3.940 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837688 554443841 /nfs/dbraw/zinc/44/38/41/554443841.db2.gz RHVPAXAPBIMYDL-UHFFFAOYSA-N 0 0 570.520 3.751 40 0 KHABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837696 554443869 /nfs/dbraw/zinc/44/38/69/554443869.db2.gz UXQCNWQSYGCGDB-UHFFFAOYSA-N 0 0 612.557 3.522 40 0 KHABRN O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059837707 554444165 /nfs/dbraw/zinc/44/41/65/554444165.db2.gz SNHXDJUMYLIJIF-UHFFFAOYSA-N 0 0 580.103 3.771 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccccc2F)cc1 ZINC000059837710 554444176 /nfs/dbraw/zinc/44/41/76/554444176.db2.gz OUUJOSRGJKSBCV-UHFFFAOYSA-N 0 0 573.712 3.816 40 0 KHABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837714 554444128 /nfs/dbraw/zinc/44/41/28/554444128.db2.gz RKIKOGWNNPYWIK-UHFFFAOYSA-N 0 0 576.911 3.802 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837718 554444152 /nfs/dbraw/zinc/44/41/52/554444152.db2.gz VPTYJGYVVGUPST-UHFFFAOYSA-N 0 0 588.510 3.890 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2c(F)cccc2Cl)cc1 ZINC000059837724 554444125 /nfs/dbraw/zinc/44/41/25/554444125.db2.gz HRRQRFNERFXMGG-UHFFFAOYSA-N 0 0 568.092 3.545 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837735 554444117 /nfs/dbraw/zinc/44/41/17/554444117.db2.gz KDYIHLQAISQSNK-UHFFFAOYSA-N 0 0 614.971 3.860 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)Cc2ccc(Br)cc2)cc1 ZINC000059837738 554444157 /nfs/dbraw/zinc/44/41/57/554444157.db2.gz LZMXFVBLIWBZGJ-UHFFFAOYSA-N 0 0 594.553 3.515 40 0 KHABRN O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059837743 554444109 /nfs/dbraw/zinc/44/41/09/554444109.db2.gz AEMWDGSLJHRPBA-UHFFFAOYSA-N 0 0 559.685 3.508 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccc(F)cc2)cc1 ZINC000059837754 554444168 /nfs/dbraw/zinc/44/41/68/554444168.db2.gz AKXRXWSUUXRBIS-UHFFFAOYSA-N 0 0 573.712 3.816 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000059837773 554444303 /nfs/dbraw/zinc/44/43/03/554444303.db2.gz YMQFBTCKFJSNCQ-UHFFFAOYSA-N 0 0 626.584 3.830 40 0 KHABRN NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837776 554444390 /nfs/dbraw/zinc/44/43/90/554444390.db2.gz IGDDHZBQWZZIGS-UHFFFAOYSA-N 0 0 576.911 3.802 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2cccc(Cl)c2)cc1 ZINC000059837785 554444397 /nfs/dbraw/zinc/44/43/97/554444397.db2.gz WDHPBFPYDJCILZ-UHFFFAOYSA-N 0 0 576.140 3.940 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059837790 554444352 /nfs/dbraw/zinc/44/43/52/554444352.db2.gz AGZVSKKMXYTXBJ-UHFFFAOYSA-N 0 0 570.520 3.751 40 0 KHABRN O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837797 554444299 /nfs/dbraw/zinc/44/42/99/554444299.db2.gz GYBLPLWPRLXOLY-UHFFFAOYSA-N 0 0 612.557 3.522 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2Cl)cc1 ZINC000059837801 554444344 /nfs/dbraw/zinc/44/43/44/554444344.db2.gz PHZAFRNHOYCRHE-UHFFFAOYSA-N 0 0 576.140 3.940 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2cccc(C)c2)cc1 ZINC000059837806 554444347 /nfs/dbraw/zinc/44/43/47/554444347.db2.gz FCULIIXLLOMBNH-UHFFFAOYSA-N 0 0 569.749 3.985 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2cccc(C)c2)cc1 ZINC000059837808 554444382 /nfs/dbraw/zinc/44/43/82/554444382.db2.gz DJSNWXZDCXFATK-UHFFFAOYSA-N 0 0 555.722 3.595 40 0 KHABRN Cc1ccccc1CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059837821 554444379 /nfs/dbraw/zinc/44/43/79/554444379.db2.gz LXAABGGNIONJEG-UHFFFAOYSA-N 0 0 576.140 3.940 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000059837828 554444632 /nfs/dbraw/zinc/44/46/32/554444632.db2.gz MXTAJQZKQMVFQE-UHFFFAOYSA-N 0 0 584.547 3.794 40 0 KHABRN O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059837836 554444657 /nfs/dbraw/zinc/44/46/57/554444657.db2.gz MLIRKDLBDDYQIU-UHFFFAOYSA-N 0 0 626.584 3.564 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)c(C)c1 ZINC000059837842 554444613 /nfs/dbraw/zinc/44/46/13/554444613.db2.gz YEQPVVULUITCNT-UHFFFAOYSA-N 0 0 569.749 3.904 40 0 KHABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837854 554444598 /nfs/dbraw/zinc/44/45/98/554444598.db2.gz GKVIMSVSWYASRC-UHFFFAOYSA-N 0 0 594.553 3.515 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837864 554444635 /nfs/dbraw/zinc/44/46/35/554444635.db2.gz ABBHCEQJNIYOAN-UHFFFAOYSA-N 0 0 614.971 3.860 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000059837873 554444676 /nfs/dbraw/zinc/44/46/76/554444676.db2.gz FUXYKPXMRIMAQT-UHFFFAOYSA-N 0 0 614.971 3.860 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 ZINC000059837876 554444685 /nfs/dbraw/zinc/44/46/85/554444685.db2.gz VJUWCTKDFDZCMD-UHFFFAOYSA-N 0 0 583.776 3.946 40 0 KHABRN Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000059837879 554444638 /nfs/dbraw/zinc/44/46/38/554444638.db2.gz TWEPCDATXVTSFP-UHFFFAOYSA-N 0 0 557.738 3.678 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000059837902 554444821 /nfs/dbraw/zinc/44/48/21/554444821.db2.gz XBPMJHMJMYVVLQ-UHFFFAOYSA-N 0 0 620.193 3.793 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Cc1ccccc1 ZINC000059837907 554444872 /nfs/dbraw/zinc/44/48/72/554444872.db2.gz QMEZQRVFYTWERF-UHFFFAOYSA-N 0 0 585.748 3.686 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccccc2)cc1C ZINC000059837919 554444866 /nfs/dbraw/zinc/44/48/66/554444866.db2.gz AYOZPMFPRPFZHE-UHFFFAOYSA-N 0 0 585.748 3.686 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000059837936 554444833 /nfs/dbraw/zinc/44/48/33/554444833.db2.gz DTEIMOBOVOSLNO-UHFFFAOYSA-N 0 0 571.721 3.690 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000059837948 554444847 /nfs/dbraw/zinc/44/48/47/554444847.db2.gz SNGPDFKSNLJSPV-UHFFFAOYSA-N 0 0 592.139 3.953 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1Cl ZINC000059837960 554444870 /nfs/dbraw/zinc/44/48/70/554444870.db2.gz LRCYWMHSSYJKTJ-UHFFFAOYSA-N 0 0 592.139 3.640 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CCCCC2)cc1Cl ZINC000059837970 554445174 /nfs/dbraw/zinc/44/51/74/554445174.db2.gz ILMMKEKPDQQWDR-UHFFFAOYSA-N 0 0 584.160 3.773 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000059837983 554445220 /nfs/dbraw/zinc/44/52/20/554445220.db2.gz AWEFYGGGOUYQMN-UHFFFAOYSA-N 0 0 606.166 3.683 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000059837993 554445193 /nfs/dbraw/zinc/44/51/93/554445193.db2.gz YAFNOAKFJIXGPY-UHFFFAOYSA-N 0 0 599.775 3.728 40 0 KHABRN COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000059838019 554445190 /nfs/dbraw/zinc/44/51/90/554445190.db2.gz PZPBKWPPTJDWOG-UHFFFAOYSA-N 0 0 601.747 3.699 40 0 KHABRN COc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000059838032 554445177 /nfs/dbraw/zinc/44/51/77/554445177.db2.gz WUOSLTNQBQBWIU-UHFFFAOYSA-N 0 0 622.165 3.962 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C)c(Cl)c1 ZINC000059838036 554445196 /nfs/dbraw/zinc/44/51/96/554445196.db2.gz HAINUGVNQLIEFD-UHFFFAOYSA-N 0 0 580.128 3.727 40 0 KHABRN COc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000059838050 554445341 /nfs/dbraw/zinc/44/53/41/554445341.db2.gz DWOOTDULGGBMET-UHFFFAOYSA-N 0 0 601.747 3.699 40 0 KHABRN CCOc1ccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000059838065 554445321 /nfs/dbraw/zinc/44/53/21/554445321.db2.gz SHLROOJSIWMUNV-UHFFFAOYSA-N 0 0 601.747 3.699 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)Cc2ccccc2)cc1C ZINC000059838076 554445352 /nfs/dbraw/zinc/44/53/52/554445352.db2.gz OYTBEUMRSSUZMO-UHFFFAOYSA-N 0 0 585.748 3.686 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C2CCCCC2)cc1 ZINC000059838099 554445378 /nfs/dbraw/zinc/44/53/78/554445378.db2.gz AWAJBIKFDVVFNQ-UHFFFAOYSA-N 0 0 577.769 3.900 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C2CCCCC2)cc1 ZINC000059838100 554445337 /nfs/dbraw/zinc/44/53/37/554445337.db2.gz WWNQSHPEWDIUGA-UHFFFAOYSA-N 0 0 563.742 3.510 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cc2ccccc2)cc1 ZINC000059838107 554445398 /nfs/dbraw/zinc/44/53/98/554445398.db2.gz NKKZMLLLAFWOQV-UHFFFAOYSA-N 0 0 585.748 3.767 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccccc1 ZINC000059838130 554445660 /nfs/dbraw/zinc/44/56/60/554445660.db2.gz VQXDIESTOOHWJY-UHFFFAOYSA-N 0 0 592.139 3.640 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000059838219 554445795 /nfs/dbraw/zinc/44/57/95/554445795.db2.gz GSLWPKCMSLFXFP-SANMLTNESA-N 0 0 576.140 3.721 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000059838222 554445799 /nfs/dbraw/zinc/44/57/99/554445799.db2.gz GSLWPKCMSLFXFP-AREMUKBSSA-N 0 0 576.140 3.721 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000059838246 554445744 /nfs/dbraw/zinc/44/57/44/554445744.db2.gz YYNFHFCLKJNRAD-SANMLTNESA-N 0 0 620.591 3.830 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000059838248 554445754 /nfs/dbraw/zinc/44/57/54/554445754.db2.gz YYNFHFCLKJNRAD-AREMUKBSSA-N 0 0 620.591 3.830 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC000059838279 554446078 /nfs/dbraw/zinc/44/60/78/554446078.db2.gz UMNQIUUTIHQMGK-NDEPHWFRSA-N 0 0 583.776 3.992 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1 ZINC000059838281 554446083 /nfs/dbraw/zinc/44/60/83/554446083.db2.gz UMNQIUUTIHQMGK-MUUNZHRXSA-N 0 0 583.776 3.992 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 ZINC000059838284 554446096 /nfs/dbraw/zinc/44/60/96/554446096.db2.gz HPHQZHPQTHZVQV-MHZLTWQESA-N 0 0 569.749 3.602 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 ZINC000059838287 554446174 /nfs/dbraw/zinc/44/61/74/554446174.db2.gz HPHQZHPQTHZVQV-HHHXNRCGSA-N 0 0 569.749 3.602 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838334 554446148 /nfs/dbraw/zinc/44/61/48/554446148.db2.gz VIXXCLBUVFAMCK-SANMLTNESA-N 0 0 606.166 3.729 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Cl ZINC000059838338 554446101 /nfs/dbraw/zinc/44/61/01/554446101.db2.gz VIXXCLBUVFAMCK-AREMUKBSSA-N 0 0 606.166 3.729 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838419 554446338 /nfs/dbraw/zinc/44/63/38/554446338.db2.gz RMJCFMKBXQVLJY-VWLOTQADSA-N 0 0 606.166 3.729 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059838422 554446257 /nfs/dbraw/zinc/44/62/57/554446257.db2.gz RMJCFMKBXQVLJY-RUZDIDTESA-N 0 0 606.166 3.729 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000059838477 554446588 /nfs/dbraw/zinc/44/65/88/554446588.db2.gz KVWQGYXNPMXTLZ-UHFFFAOYSA-N 0 0 574.552 3.885 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)c(C)c1 ZINC000059838487 554446593 /nfs/dbraw/zinc/44/65/93/554446593.db2.gz NELWYMFYJFGPME-UHFFFAOYSA-N 0 0 547.743 3.504 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000059838621 554447108 /nfs/dbraw/zinc/44/71/08/554447108.db2.gz UVMHMRSGTJXBCM-LJQANCHMSA-N 0 0 574.552 3.885 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000059838625 554447059 /nfs/dbraw/zinc/44/70/59/554447059.db2.gz UVMHMRSGTJXBCM-IBGZPJMESA-N 0 0 574.552 3.885 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000059838660 554447052 /nfs/dbraw/zinc/44/70/52/554447052.db2.gz NFIJEKCNOSWPBW-VWLOTQADSA-N 0 0 555.722 3.732 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000059838663 554447031 /nfs/dbraw/zinc/44/70/31/554447031.db2.gz NFIJEKCNOSWPBW-RUZDIDTESA-N 0 0 555.722 3.732 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000059838679 554447038 /nfs/dbraw/zinc/44/70/38/554447038.db2.gz DLRQDWCKWKQSGF-UHFFFAOYSA-N 0 0 555.722 3.732 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c(C)c1 ZINC000059838692 554447028 /nfs/dbraw/zinc/44/70/28/554447028.db2.gz MAYZBWHTXVQBCI-DEOSSOPVSA-N 0 0 547.743 3.504 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)c(C)c1 ZINC000059838694 554447025 /nfs/dbraw/zinc/44/70/25/554447025.db2.gz MAYZBWHTXVQBCI-XMMPIXPASA-N 0 0 547.743 3.504 40 0 KHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000059838755 554447336 /nfs/dbraw/zinc/44/73/36/554447336.db2.gz ODAYFCDLLDOZLB-UHFFFAOYSA-N 0 0 584.160 3.630 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1Cl ZINC000059838823 554447635 /nfs/dbraw/zinc/44/76/35/554447635.db2.gz IGUORAILEYMMHJ-UHFFFAOYSA-N 0 0 584.160 3.630 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1Cl ZINC000059838836 554447602 /nfs/dbraw/zinc/44/76/02/554447602.db2.gz MCWSCXOZPOEAJN-NRFANRHFSA-N 0 0 584.160 3.630 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1Cl ZINC000059838840 554447561 /nfs/dbraw/zinc/44/75/61/554447561.db2.gz MCWSCXOZPOEAJN-OAQYLSRUSA-N 0 0 584.160 3.630 40 0 KHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000059838853 554447778 /nfs/dbraw/zinc/44/77/78/554447778.db2.gz DWPOPEBAAVLLLF-NRFANRHFSA-N 0 0 584.160 3.630 40 0 KHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 ZINC000059838856 554447747 /nfs/dbraw/zinc/44/77/47/554447747.db2.gz DWPOPEBAAVLLLF-OAQYLSRUSA-N 0 0 584.160 3.630 40 0 KHABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000059838869 554447825 /nfs/dbraw/zinc/44/78/25/554447825.db2.gz LCQGKAAXGSUYKZ-UHFFFAOYSA-N 0 0 577.769 3.710 40 0 KHABRN C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1ccccc1 ZINC000059838931 554447771 /nfs/dbraw/zinc/44/77/71/554447771.db2.gz PEQXNZUFILVBOK-QFIPXVFZSA-N 0 0 571.721 3.596 40 0 KHABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1)c1ccccc1 ZINC000059838934 554447785 /nfs/dbraw/zinc/44/77/85/554447785.db2.gz PEQXNZUFILVBOK-JOCHJYFZSA-N 0 0 571.721 3.596 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059851780 554448796 /nfs/dbraw/zinc/44/87/96/554448796.db2.gz AURASJMYOSGIQJ-UHFFFAOYSA-N 0 0 557.694 3.666 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1C ZINC000059851801 554448828 /nfs/dbraw/zinc/44/88/28/554448828.db2.gz GBNXHGAEWIZHDA-UHFFFAOYSA-N 0 0 571.721 3.974 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1C ZINC000059851805 554448885 /nfs/dbraw/zinc/44/88/85/554448885.db2.gz LNUHSTUNCVPRBO-UHFFFAOYSA-N 0 0 557.694 3.584 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000059851813 554448794 /nfs/dbraw/zinc/44/87/94/554448794.db2.gz ISFTWGPGMVPEJS-UHFFFAOYSA-N 0 0 557.694 3.666 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851823 554448844 /nfs/dbraw/zinc/44/88/44/554448844.db2.gz UPYAFGFFEKTHAM-UHFFFAOYSA-N 0 0 571.721 3.974 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000059851826 554448872 /nfs/dbraw/zinc/44/88/72/554448872.db2.gz BNFYZLJFDFFLLI-UHFFFAOYSA-N 0 0 557.694 3.584 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851831 554448832 /nfs/dbraw/zinc/44/88/32/554448832.db2.gz JUUYWHILCNYDCR-UHFFFAOYSA-N 0 0 557.694 3.666 40 0 KHABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000059851841 554448816 /nfs/dbraw/zinc/44/88/16/554448816.db2.gz ZGWXARQDLLLPAK-UHFFFAOYSA-N 0 0 571.721 3.974 40 0 KHABRN Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000059851844 554448890 /nfs/dbraw/zinc/44/88/90/554448890.db2.gz QENGADXUERRIMB-UHFFFAOYSA-N 0 0 557.694 3.584 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851861 554449149 /nfs/dbraw/zinc/44/91/49/554449149.db2.gz MOSSVENLWUXPJD-UHFFFAOYSA-N 0 0 564.085 3.621 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059851867 554449141 /nfs/dbraw/zinc/44/91/41/554449141.db2.gz WIXMAMNFUQAOIM-UHFFFAOYSA-N 0 0 587.720 3.756 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059851878 554449202 /nfs/dbraw/zinc/44/92/02/554449202.db2.gz AACHYQARZWQBRL-UHFFFAOYSA-N 0 0 583.732 3.698 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851914 554449228 /nfs/dbraw/zinc/44/92/28/554449228.db2.gz NRURVXRJJWUWLK-UHFFFAOYSA-N 0 0 608.536 3.730 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059851928 554449219 /nfs/dbraw/zinc/44/92/19/554449219.db2.gz PEGZTWSUABJPFI-UHFFFAOYSA-N 0 0 597.637 3.986 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000059851941 554449433 /nfs/dbraw/zinc/44/94/33/554449433.db2.gz PPOPZKKGTCQQPL-UHFFFAOYSA-N 0 0 594.111 3.629 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1Cl ZINC000059851971 554449397 /nfs/dbraw/zinc/44/93/97/554449397.db2.gz PLUJQWGZQSTZTL-UHFFFAOYSA-N 0 0 578.112 3.929 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c(C)c2)cc1 ZINC000059852000 554449521 /nfs/dbraw/zinc/44/95/21/554449521.db2.gz JXKPMRGEEYHJSL-UHFFFAOYSA-N 0 0 571.721 3.974 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1 ZINC000059852002 554449460 /nfs/dbraw/zinc/44/94/60/554449460.db2.gz KVACIPQAIRFABK-UHFFFAOYSA-N 0 0 557.694 3.584 40 0 KHABRN Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852036 554449843 /nfs/dbraw/zinc/44/98/43/554449843.db2.gz AHWHNYQBBUUJGN-UHFFFAOYSA-N 0 0 583.732 3.616 40 0 KHABRN Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852062 554449786 /nfs/dbraw/zinc/44/97/86/554449786.db2.gz LXANQQHMUOZCOX-UHFFFAOYSA-N 0 0 583.732 3.616 40 0 KHABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852075 554449880 /nfs/dbraw/zinc/44/98/80/554449880.db2.gz XGSFNOWFMRWHFY-UHFFFAOYSA-N 0 0 557.694 3.666 40 0 KHABRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852090 554449911 /nfs/dbraw/zinc/44/99/11/554449911.db2.gz JECBSZMYFXEJCV-UHFFFAOYSA-N 0 0 578.112 3.929 40 0 KHABRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852095 554449802 /nfs/dbraw/zinc/44/98/02/554449802.db2.gz GLGCYGJPBFDHIB-UHFFFAOYSA-N 0 0 575.684 3.805 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1 ZINC000059852109 554450128 /nfs/dbraw/zinc/45/01/28/554450128.db2.gz AXOMWLIRTXIQKH-UHFFFAOYSA-N 0 0 587.720 3.674 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)c2)cc1C ZINC000059852119 554450061 /nfs/dbraw/zinc/45/00/61/554450061.db2.gz TYSCWUWTPXMYHP-UHFFFAOYSA-N 0 0 571.721 3.892 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852132 554450099 /nfs/dbraw/zinc/45/00/99/554450099.db2.gz TVTIHKHHFMOODK-UHFFFAOYSA-N 0 0 604.150 3.961 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852135 554450036 /nfs/dbraw/zinc/45/00/36/554450036.db2.gz VEDAQDXDYOOUNY-UHFFFAOYSA-N 0 0 590.123 3.571 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852171 554450416 /nfs/dbraw/zinc/45/04/16/554450416.db2.gz JAOLLTBRGQQRRJ-UHFFFAOYSA-N 0 0 564.085 3.621 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(Cl)c2)cc1 ZINC000059852194 554450493 /nfs/dbraw/zinc/45/04/93/554450493.db2.gz JQVOZLVVNARNDP-UHFFFAOYSA-N 0 0 594.111 3.629 40 0 KHABRN CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000059852202 554450440 /nfs/dbraw/zinc/45/04/40/554450440.db2.gz CAKNYHRMPPIDJF-UHFFFAOYSA-N 0 0 572.492 3.740 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852210 554450407 /nfs/dbraw/zinc/45/04/07/554450407.db2.gz GEQHGZWHRNFQHQ-UHFFFAOYSA-N 0 0 614.529 3.510 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852229 554450427 /nfs/dbraw/zinc/45/04/27/554450427.db2.gz JMIAUNKWPLMBBL-UHFFFAOYSA-N 0 0 547.743 3.721 40 0 KHABRN C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1 ZINC000059852244 554450709 /nfs/dbraw/zinc/45/07/09/554450709.db2.gz UTHKTQBTMMYTML-QFIPXVFZSA-N 0 0 555.722 3.760 40 0 KHABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)c1ccccc1 ZINC000059852247 554450630 /nfs/dbraw/zinc/45/06/30/554450630.db2.gz UTHKTQBTMMYTML-JOCHJYFZSA-N 0 0 555.722 3.760 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852254 554450591 /nfs/dbraw/zinc/45/05/91/554450591.db2.gz GJEKTMAIRWQCPZ-UHFFFAOYSA-N 0 0 569.749 3.631 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852263 554450586 /nfs/dbraw/zinc/45/05/86/554450586.db2.gz QAVNUNRZTVWWPY-UHFFFAOYSA-N 0 0 555.722 3.589 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000059852273 554450641 /nfs/dbraw/zinc/45/06/41/554450641.db2.gz MLMPADFXVXICQS-UHFFFAOYSA-N 0 0 541.695 3.829 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852295 554450637 /nfs/dbraw/zinc/45/06/37/554450637.db2.gz UNKXPZBSCKEOHM-UHFFFAOYSA-N 0 0 567.733 3.862 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000059852380 554450976 /nfs/dbraw/zinc/45/09/76/554450976.db2.gz JTVFQNLHBXRBLS-UHFFFAOYSA-N 0 0 531.656 3.524 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c2cccc(Cl)c2)cc1 ZINC000059852403 554451210 /nfs/dbraw/zinc/45/12/10/554451210.db2.gz HXDZTBVEILJQRX-UHFFFAOYSA-N 0 0 594.111 3.976 40 0 KHABRN O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059852473 554451528 /nfs/dbraw/zinc/45/15/28/554451528.db2.gz KRTRCYMPILNEAJ-UHFFFAOYSA-N 0 0 540.911 3.993 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000059852482 554451519 /nfs/dbraw/zinc/45/15/19/554451519.db2.gz FQIWVCLSKHXILO-UHFFFAOYSA-N 0 0 572.547 3.660 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c2ccc(F)cc2)cc1 ZINC000059852506 554451610 /nfs/dbraw/zinc/45/16/10/554451610.db2.gz PARNNXDRTMOPJA-UHFFFAOYSA-N 0 0 591.683 3.852 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059852610 554451890 /nfs/dbraw/zinc/45/18/90/554451890.db2.gz WPEJAKALPXRKTP-QFIPXVFZSA-N 0 0 536.031 3.615 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059852612 554451928 /nfs/dbraw/zinc/45/19/28/554451928.db2.gz WPEJAKALPXRKTP-JOCHJYFZSA-N 0 0 536.031 3.615 40 0 KHABRN COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000059852647 554452163 /nfs/dbraw/zinc/45/21/63/554452163.db2.gz NRPQJQIYNGJCLA-KRWDZBQOSA-N 0 0 532.590 3.933 40 0 KHABRN COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000059852650 554452166 /nfs/dbraw/zinc/45/21/66/554452166.db2.gz NRPQJQIYNGJCLA-QGZVFWFLSA-N 0 0 532.590 3.933 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 ZINC000059852682 554452355 /nfs/dbraw/zinc/45/23/55/554452355.db2.gz KJBSNDZFCWWWCU-UHFFFAOYSA-N 0 0 545.683 3.833 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000059852696 554452407 /nfs/dbraw/zinc/45/24/07/554452407.db2.gz QOXYMRHPJBZGDH-UHFFFAOYSA-N 0 0 545.683 3.833 40 0 KHABRN O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000059852775 554452687 /nfs/dbraw/zinc/45/26/87/554452687.db2.gz NUTVCXHMWVGFKS-WEVVVXLNSA-N 0 0 546.531 3.849 40 0 KHABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)Oc2ccccc21 ZINC000059852778 554452709 /nfs/dbraw/zinc/45/27/09/554452709.db2.gz HBMDMKLYVUWITQ-OAQYLSRUSA-N 0 0 556.449 3.960 40 0 KHABRN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)Oc2ccccc21 ZINC000059852781 554452601 /nfs/dbraw/zinc/45/26/01/554452601.db2.gz HBMDMKLYVUWITQ-NRFANRHFSA-N 0 0 556.449 3.960 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)cc1 ZINC000059852820 554452655 /nfs/dbraw/zinc/45/26/55/554452655.db2.gz AYIXFVCEDLZFQW-UHFFFAOYSA-N 0 0 559.666 3.566 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000059852853 554453022 /nfs/dbraw/zinc/45/30/22/554453022.db2.gz ODMLSAXBIYSKOO-UHFFFAOYSA-N 0 0 561.657 3.837 40 0 KHABRN COc1ccc(CNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059852914 554453303 /nfs/dbraw/zinc/45/33/03/554453303.db2.gz GDPQRHSKVGQEJB-UHFFFAOYSA-N 0 0 566.417 3.820 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059852949 554453239 /nfs/dbraw/zinc/45/32/39/554453239.db2.gz YSKANCNPFWDOPM-UHFFFAOYSA-N 0 0 580.663 3.727 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059852959 554453205 /nfs/dbraw/zinc/45/32/05/554453205.db2.gz XJLHDMHJAOOZER-UHFFFAOYSA-N 0 0 552.074 3.869 40 0 KHABRN COc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059853163 554453827 /nfs/dbraw/zinc/45/38/27/554453827.db2.gz BJPFMFABDYKHIC-SFHVURJKSA-N 0 0 544.626 3.802 40 0 KHABRN COc1ccc([C@@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059853168 554453901 /nfs/dbraw/zinc/45/39/01/554453901.db2.gz BJPFMFABDYKHIC-GOSISDBHSA-N 0 0 544.626 3.802 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c2ccc(C)cc2)cc1 ZINC000059853225 554454029 /nfs/dbraw/zinc/45/40/29/554454029.db2.gz JOQFTHBCQBAXLL-UHFFFAOYSA-N 0 0 561.682 3.533 40 0 KHABRN COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000059853494 554454468 /nfs/dbraw/zinc/45/44/68/554454468.db2.gz RUSSFUSRKAMFFU-UHFFFAOYSA-N 0 0 614.584 3.813 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000059853578 554454642 /nfs/dbraw/zinc/45/46/42/554454642.db2.gz KHNKWFWPEJWESJ-UHFFFAOYSA-N 0 0 531.656 3.600 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c2ccc(C)cc2)cc1 ZINC000059853609 554454598 /nfs/dbraw/zinc/45/45/98/554454598.db2.gz SQLPVUOOEMWZNX-UHFFFAOYSA-N 0 0 575.709 3.923 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059853653 554454572 /nfs/dbraw/zinc/45/45/72/554454572.db2.gz YTLDONVIQVIHPT-UHFFFAOYSA-N 0 0 575.709 3.923 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000059853666 554454972 /nfs/dbraw/zinc/45/49/72/554454972.db2.gz XLRBBQKZNIESMZ-UHFFFAOYSA-N 0 0 573.693 3.631 40 0 KHABRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2ccnc2)cc1 ZINC000059853669 554454985 /nfs/dbraw/zinc/45/49/85/554454985.db2.gz ZKFFPGBDIZSHKJ-UHFFFAOYSA-N 0 0 572.428 3.989 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c(C)c1 ZINC000059853730 554454899 /nfs/dbraw/zinc/45/48/99/554454899.db2.gz XPPBXAKDJANIHB-QHCPKHFHSA-N 0 0 550.058 3.923 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c(C)c1 ZINC000059853734 554454947 /nfs/dbraw/zinc/45/49/47/554454947.db2.gz XPPBXAKDJANIHB-HSZRJFAPSA-N 0 0 550.058 3.923 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059857840 554455147 /nfs/dbraw/zinc/45/51/47/554455147.db2.gz FVMVXTYBMLICKW-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000059857875 554455055 /nfs/dbraw/zinc/45/50/55/554455055.db2.gz BRHJQXZKCNJBJW-UHFFFAOYSA-N 0 0 538.047 3.863 40 0 KHABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000059858030 554455366 /nfs/dbraw/zinc/45/53/66/554455366.db2.gz NGOVYEBUIVZMES-UHFFFAOYSA-N 0 0 526.011 3.993 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059858082 554455372 /nfs/dbraw/zinc/45/53/72/554455372.db2.gz WWOCUUBOHJMSFM-UHFFFAOYSA-N 0 0 538.047 3.944 40 0 KHABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059858512 554455893 /nfs/dbraw/zinc/45/58/93/554455893.db2.gz WXZPOQAWFODYTL-IBGZPJMESA-N 0 0 531.656 3.988 40 0 KHABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059858518 554455921 /nfs/dbraw/zinc/45/59/21/554455921.db2.gz WXZPOQAWFODYTL-LJQANCHMSA-N 0 0 531.656 3.988 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000059881580 554456873 /nfs/dbraw/zinc/45/68/73/554456873.db2.gz JDRPGEKXEVPQPY-UHFFFAOYSA-N 0 0 531.656 3.826 40 0 KHABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059881819 554457473 /nfs/dbraw/zinc/45/74/73/554457473.db2.gz UZYDAGFOYIFHLE-KRWDZBQOSA-N 0 0 535.619 3.818 40 0 KHABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059881823 554457578 /nfs/dbraw/zinc/45/75/78/554457578.db2.gz UZYDAGFOYIFHLE-QGZVFWFLSA-N 0 0 535.619 3.818 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059881833 554457542 /nfs/dbraw/zinc/45/75/42/554457542.db2.gz PHDIICODZHUQGS-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000059882093 554457855 /nfs/dbraw/zinc/45/78/55/554457855.db2.gz APBIEUWUYKBPEI-UHFFFAOYSA-N 0 0 568.471 3.663 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)cc1 ZINC000059882216 554457807 /nfs/dbraw/zinc/45/78/07/554457807.db2.gz WEEINTQCJDSDRL-UHFFFAOYSA-N 0 0 557.572 3.920 40 0 KHABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059882271 554458131 /nfs/dbraw/zinc/45/81/31/554458131.db2.gz CCMQJEVZEUPNLI-UHFFFAOYSA-N 0 0 526.011 3.993 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Br)cc1 ZINC000059882278 554458221 /nfs/dbraw/zinc/45/82/21/554458221.db2.gz IEXCZTFDUDYIQX-UHFFFAOYSA-N 0 0 556.435 3.794 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000059882327 554458064 /nfs/dbraw/zinc/45/80/64/554458064.db2.gz PSFRTINRSNNUMY-UHFFFAOYSA-N 0 0 556.435 3.794 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000059882361 554458057 /nfs/dbraw/zinc/45/80/57/554458057.db2.gz KRDZVNRIQQLOCM-UHFFFAOYSA-N 0 0 538.047 3.863 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1Br ZINC000059882654 554458778 /nfs/dbraw/zinc/45/87/78/554458778.db2.gz YTJSQDDDXKIAMQ-UHFFFAOYSA-N 0 0 538.445 3.655 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059882747 554458731 /nfs/dbraw/zinc/45/87/31/554458731.db2.gz MSGYAFABABCAEL-UHFFFAOYSA-N 0 0 557.572 3.920 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)cc2)cc1 ZINC000059882875 554459024 /nfs/dbraw/zinc/45/90/24/554459024.db2.gz FZLANLJKURZOLO-UHFFFAOYSA-N 0 0 554.046 3.563 40 0 KHABRN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000059883020 554459554 /nfs/dbraw/zinc/45/95/54/554459554.db2.gz ZTYQVPKIWZPJBD-UHFFFAOYSA-N 0 0 524.020 3.554 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059883155 554459802 /nfs/dbraw/zinc/45/98/02/554459802.db2.gz FCCAJUUCNDSAHT-LJQANCHMSA-N 0 0 531.656 3.906 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059883160 554459839 /nfs/dbraw/zinc/45/98/39/554459839.db2.gz FCCAJUUCNDSAHT-IBGZPJMESA-N 0 0 531.656 3.906 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1 ZINC000059883241 554459984 /nfs/dbraw/zinc/45/99/84/554459984.db2.gz AGDPWPNVVRASQX-UHFFFAOYSA-N 0 0 552.472 3.963 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)cc1 ZINC000059883301 554460155 /nfs/dbraw/zinc/46/01/55/554460155.db2.gz IRZRMDBXBQUPJY-UHFFFAOYSA-N 0 0 568.471 3.663 40 0 KHABRN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059883338 554460104 /nfs/dbraw/zinc/46/01/04/554460104.db2.gz AFSAIIDOWHZYNO-UHFFFAOYSA-N 0 0 526.011 3.993 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1OC ZINC000059883449 554460676 /nfs/dbraw/zinc/46/06/76/554460676.db2.gz LDNWFFBMLRJNMR-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000059883480 554460519 /nfs/dbraw/zinc/46/05/19/554460519.db2.gz VYZDCDYTZQLDEB-UHFFFAOYSA-N 0 0 524.020 3.554 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059883516 554460584 /nfs/dbraw/zinc/46/05/84/554460584.db2.gz PERTVPVEYOAZMQ-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1OC ZINC000059883538 554460661 /nfs/dbraw/zinc/46/06/61/554460661.db2.gz YOQWQZJADIZPCU-UHFFFAOYSA-N 0 0 587.598 3.928 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059883613 554460853 /nfs/dbraw/zinc/46/08/53/554460853.db2.gz BJRIRMOYBPEEOS-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059884015 554461683 /nfs/dbraw/zinc/46/16/83/554461683.db2.gz ARJRIGMJBOXQTJ-UHFFFAOYSA-N 0 0 531.656 3.908 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 ZINC000059884501 554462749 /nfs/dbraw/zinc/46/27/49/554462749.db2.gz HVNYEPZLNWIPBQ-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)c1 ZINC000059884765 554463282 /nfs/dbraw/zinc/46/32/82/554463282.db2.gz BNTVOIRKZPWURT-UHFFFAOYSA-N 0 0 552.472 3.963 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000059884824 554463270 /nfs/dbraw/zinc/46/32/70/554463270.db2.gz BXVBGKSWLDOFJU-UHFFFAOYSA-N 0 0 524.020 3.554 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059884870 554463256 /nfs/dbraw/zinc/46/32/56/554463256.db2.gz XJMHAYCEQFQNOA-UHFFFAOYSA-N 0 0 568.073 3.871 40 0 KHABRN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059884887 554463776 /nfs/dbraw/zinc/46/37/76/554463776.db2.gz QGQDGIQKIDDZCU-SFHVURJKSA-N 0 0 547.655 3.688 40 0 KHABRN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059884891 554463710 /nfs/dbraw/zinc/46/37/10/554463710.db2.gz QGQDGIQKIDDZCU-GOSISDBHSA-N 0 0 547.655 3.688 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000059884957 554463637 /nfs/dbraw/zinc/46/36/37/554463637.db2.gz OSOCSBSEWXGUEK-UHFFFAOYSA-N 0 0 554.046 3.563 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059884999 554463614 /nfs/dbraw/zinc/46/36/14/554463614.db2.gz OXPXWQMBCMSBNA-UHFFFAOYSA-N 0 0 568.471 3.663 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885148 554464201 /nfs/dbraw/zinc/46/42/01/554464201.db2.gz OBFLEESXLTVHQZ-LJQANCHMSA-N 0 0 531.656 3.906 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885150 554464144 /nfs/dbraw/zinc/46/41/44/554464144.db2.gz OBFLEESXLTVHQZ-IBGZPJMESA-N 0 0 531.656 3.906 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885196 554464091 /nfs/dbraw/zinc/46/40/91/554464091.db2.gz RRCOTNJGAIKKGT-LJQANCHMSA-N 0 0 531.656 3.906 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885202 554464184 /nfs/dbraw/zinc/46/41/84/554464184.db2.gz RRCOTNJGAIKKGT-IBGZPJMESA-N 0 0 531.656 3.906 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1OC ZINC000059885274 554464240 /nfs/dbraw/zinc/46/42/40/554464240.db2.gz FRDUBBICQCVMGP-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059885746 554465078 /nfs/dbraw/zinc/46/50/78/554465078.db2.gz BWASJEAATMOOCI-UHFFFAOYSA-N 0 0 552.472 3.963 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1)S(C)(=O)=O ZINC000059885793 554465457 /nfs/dbraw/zinc/46/54/57/554465457.db2.gz GSNDNTULPRNYJQ-UHFFFAOYSA-N 0 0 531.656 3.826 40 0 KHABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059885828 554465462 /nfs/dbraw/zinc/46/54/62/554465462.db2.gz WWYBWOOYELAVPI-UHFFFAOYSA-N 0 0 526.011 3.993 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(Br)c1 ZINC000059885836 554465480 /nfs/dbraw/zinc/46/54/80/554465480.db2.gz DDZKAJQISURCQX-UHFFFAOYSA-N 0 0 556.435 3.794 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000059885856 554465474 /nfs/dbraw/zinc/46/54/74/554465474.db2.gz KWBOFJBAISUKJF-UHFFFAOYSA-N 0 0 538.445 3.655 40 0 KHABRN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059885863 554465315 /nfs/dbraw/zinc/46/53/15/554465315.db2.gz JWQFYZVKXFBCBQ-UHFFFAOYSA-N 0 0 552.472 3.963 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885946 554465712 /nfs/dbraw/zinc/46/57/12/554465712.db2.gz JBJOVGUMVQSBRK-UHFFFAOYSA-N 0 0 531.656 3.908 40 0 KHABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059886198 554466299 /nfs/dbraw/zinc/46/62/99/554466299.db2.gz QKHBMJBZQSJKHC-UHFFFAOYSA-N 0 0 538.047 3.863 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000059886278 554466333 /nfs/dbraw/zinc/46/63/33/554466333.db2.gz YNYYAELFGCYYKK-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000059886350 554466668 /nfs/dbraw/zinc/46/66/68/554466668.db2.gz KLQXQXCDZVNKQN-UHFFFAOYSA-N 0 0 524.020 3.554 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059886424 554466604 /nfs/dbraw/zinc/46/66/04/554466604.db2.gz GYBKSKWOCFHJSP-UHFFFAOYSA-N 0 0 587.598 3.928 40 0 KHABRN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059886705 554467289 /nfs/dbraw/zinc/46/72/89/554467289.db2.gz SWMPLSPVMWFGPS-UHFFFAOYSA-N 0 0 568.471 3.663 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 ZINC000059886741 554467378 /nfs/dbraw/zinc/46/73/78/554467378.db2.gz ISQCZXJJXIKEAL-UHFFFAOYSA-N 0 0 538.445 3.655 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059886767 554467364 /nfs/dbraw/zinc/46/73/64/554467364.db2.gz WUDGAWPTYOQAOC-INIZCTEOSA-N 0 0 538.047 3.943 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059886773 554467295 /nfs/dbraw/zinc/46/72/95/554467295.db2.gz WUDGAWPTYOQAOC-MRXNPFEDSA-N 0 0 538.047 3.943 40 0 KHABRN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059886864 554467709 /nfs/dbraw/zinc/46/77/09/554467709.db2.gz XJCYDNKNGQULSG-UHFFFAOYSA-N 0 0 557.572 3.920 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000059886913 554467750 /nfs/dbraw/zinc/46/77/50/554467750.db2.gz JSHVBNYCLZNGIP-UHFFFAOYSA-N 0 0 527.546 3.911 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059887223 554468392 /nfs/dbraw/zinc/46/83/92/554468392.db2.gz HEVQUBXWAPMVLA-UHFFFAOYSA-N 0 0 524.020 3.554 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059887325 554468676 /nfs/dbraw/zinc/46/86/76/554468676.db2.gz JMRUPWFSZDBURP-UHFFFAOYSA-N 0 0 542.010 3.693 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000059887379 554468660 /nfs/dbraw/zinc/46/86/60/554468660.db2.gz GAGOXINKTMHIEI-UHFFFAOYSA-N 0 0 568.073 3.871 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O ZINC000059887408 554468744 /nfs/dbraw/zinc/46/87/44/554468744.db2.gz DSCKBEIKSMBVCJ-UHFFFAOYSA-N 0 0 531.656 3.826 40 0 KHABRN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059887535 554469015 /nfs/dbraw/zinc/46/90/15/554469015.db2.gz PCVUYJLFLWZESE-UHFFFAOYSA-N 0 0 531.656 3.908 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000059887571 554469085 /nfs/dbraw/zinc/46/90/85/554469085.db2.gz WMXKMDIJXWZAPN-UHFFFAOYSA-N 0 0 524.020 3.554 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000059887607 554469078 /nfs/dbraw/zinc/46/90/78/554469078.db2.gz SMXOONWQQJWVKK-UHFFFAOYSA-N 0 0 542.010 3.693 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 ZINC000059887718 554469190 /nfs/dbraw/zinc/46/91/90/554469190.db2.gz GIICNPWPKNECRB-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)cc1 ZINC000059887787 554469558 /nfs/dbraw/zinc/46/95/58/554469558.db2.gz SLKQBAUQRZTMCE-UHFFFAOYSA-N 0 0 538.047 3.863 40 0 KHABRN 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COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 ZINC000059888881 554471747 /nfs/dbraw/zinc/47/17/47/554471747.db2.gz UAWVCJCYUHVZGB-UHFFFAOYSA-N 0 0 547.655 3.526 40 0 KHABRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000059888897 554472153 /nfs/dbraw/zinc/47/21/53/554472153.db2.gz JWRIYRBZIFWXQQ-UHFFFAOYSA-N 0 0 526.011 3.993 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000059888947 554472149 /nfs/dbraw/zinc/47/21/49/554472149.db2.gz YDLSDGUSORFGJR-UHFFFAOYSA-N 0 0 538.047 3.863 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)c2ccc(C)cc2)cc1 ZINC000059922790 554472647 /nfs/dbraw/zinc/47/26/47/554472647.db2.gz OOJKKPYNUBLILK-UHFFFAOYSA-N 0 0 573.693 3.631 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000059922883 554472684 /nfs/dbraw/zinc/47/26/84/554472684.db2.gz KUDQWUNADKTPNL-UHFFFAOYSA-N 0 0 564.513 3.971 40 0 KHABRN 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Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059923891 554474444 /nfs/dbraw/zinc/47/44/44/554474444.db2.gz RYKDCZVFMODDMH-JOCHJYFZSA-N 0 0 550.058 3.923 40 0 KHABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)c2)cc1 ZINC000059923894 554474499 /nfs/dbraw/zinc/47/44/99/554474499.db2.gz BGNAGHKUACNFLA-UHFFFAOYSA-N 0 0 534.059 3.902 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000059923926 554474407 /nfs/dbraw/zinc/47/44/07/554474407.db2.gz PMYIYRZOVLTIMZ-UHFFFAOYSA-N 0 0 561.682 3.533 40 0 KHABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059923948 554474404 /nfs/dbraw/zinc/47/44/04/554474404.db2.gz RDVGNZJZDSLQIX-UHFFFAOYSA-N 0 0 540.911 3.993 40 0 KHABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000059924112 554474680 /nfs/dbraw/zinc/47/46/80/554474680.db2.gz KMEVOXGRSXTYRG-UHFFFAOYSA-N 0 0 539.429 3.978 40 0 KHABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000059924157 554474946 /nfs/dbraw/zinc/47/49/46/554474946.db2.gz ZALLJZACZNEJNM-UHFFFAOYSA-N 0 0 543.667 3.519 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000059924341 554475226 /nfs/dbraw/zinc/47/52/26/554475226.db2.gz XLTOCNDPWOKRGR-UHFFFAOYSA-N 0 0 570.133 3.704 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1C ZINC000059924372 554475240 /nfs/dbraw/zinc/47/52/40/554475240.db2.gz FIKNLKCCKWXFBY-QHCPKHFHSA-N 0 0 550.058 3.923 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1C ZINC000059924375 554475216 /nfs/dbraw/zinc/47/52/16/554475216.db2.gz FIKNLKCCKWXFBY-HSZRJFAPSA-N 0 0 550.058 3.923 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000059924439 554475215 /nfs/dbraw/zinc/47/52/15/554475215.db2.gz SHTWOLNVBMPMBM-MRXNPFEDSA-N 0 0 578.540 3.869 40 0 KHABRN 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COC(=O)c1cc(NC(=O)COc2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000059928389 554476393 /nfs/dbraw/zinc/47/63/93/554476393.db2.gz XNLHOQOUQLYTIQ-UHFFFAOYSA-N 0 0 540.594 3.552 40 0 KHABRN CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059928548 554476620 /nfs/dbraw/zinc/47/66/20/554476620.db2.gz MTWOUODNUKNCJY-UHFFFAOYSA-N 0 0 572.083 3.758 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000059928594 554476745 /nfs/dbraw/zinc/47/67/45/554476745.db2.gz KHQZUHDZKMRVOT-UHFFFAOYSA-N 0 0 561.012 3.897 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000059928757 554476912 /nfs/dbraw/zinc/47/69/12/554476912.db2.gz MKBMRAWIQJXOMU-UHFFFAOYSA-N 0 0 546.573 3.613 40 0 KHABRN CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059928918 554477203 /nfs/dbraw/zinc/47/72/03/554477203.db2.gz MEPBTGQPURAPGQ-UHFFFAOYSA-N 0 0 572.083 3.758 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc(C(=O)OC)c1 ZINC000059928997 554477325 /nfs/dbraw/zinc/47/73/25/554477325.db2.gz RSCBTWSANFZSAM-UHFFFAOYSA-N 0 0 561.012 3.897 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000059929156 554477510 /nfs/dbraw/zinc/47/75/10/554477510.db2.gz LWQIBQQPGLGSEG-UHFFFAOYSA-N 0 0 546.573 3.613 40 0 KHABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059929286 554477843 /nfs/dbraw/zinc/47/78/43/554477843.db2.gz ODEVVJISLKDQCB-QHCPKHFHSA-N 0 0 576.502 3.956 40 0 KHABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000059929298 554477861 /nfs/dbraw/zinc/47/78/61/554477861.db2.gz ODEVVJISLKDQCB-HSZRJFAPSA-N 0 0 576.502 3.956 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000059929337 554477859 /nfs/dbraw/zinc/47/78/59/554477859.db2.gz XAXNIWBXDOYANM-SANMLTNESA-N 0 0 549.693 3.575 40 0 KHABRN Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000059929345 554477852 /nfs/dbraw/zinc/47/78/52/554477852.db2.gz XAXNIWBXDOYANM-AREMUKBSSA-N 0 0 549.693 3.575 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000059929382 554478068 /nfs/dbraw/zinc/47/80/68/554478068.db2.gz QXRHLOAVBALPCE-DEOSSOPVSA-N 0 0 544.073 3.596 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000059929385 554477995 /nfs/dbraw/zinc/47/79/95/554477995.db2.gz QXRHLOAVBALPCE-XMMPIXPASA-N 0 0 544.073 3.596 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC ZINC000059929394 554477999 /nfs/dbraw/zinc/47/79/99/554477999.db2.gz GOZWXAULXZTGFU-XMMPIXPASA-N 0 0 558.100 3.904 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1OC ZINC000059929397 554477963 /nfs/dbraw/zinc/47/79/63/554477963.db2.gz GOZWXAULXZTGFU-DEOSSOPVSA-N 0 0 558.100 3.904 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000059929430 554478059 /nfs/dbraw/zinc/47/80/59/554478059.db2.gz ZMTWZHKPVHZTBC-RUZDIDTESA-N 0 0 537.682 3.559 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000059929436 554477920 /nfs/dbraw/zinc/47/79/20/554477920.db2.gz ZMTWZHKPVHZTBC-VWLOTQADSA-N 0 0 537.682 3.559 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000059929450 554478015 /nfs/dbraw/zinc/47/80/15/554478015.db2.gz NNPJGRJMXMTHBR-DEOSSOPVSA-N 0 0 577.625 3.961 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000059929454 554478009 /nfs/dbraw/zinc/47/80/09/554478009.db2.gz NNPJGRJMXMTHBR-XMMPIXPASA-N 0 0 577.625 3.961 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000059929479 554477972 /nfs/dbraw/zinc/47/79/72/554477972.db2.gz GWPQJYNERBQCLW-QHCPKHFHSA-N 0 0 532.037 3.726 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3F)CC2)cc1Cl ZINC000059929487 554478407 /nfs/dbraw/zinc/47/84/07/554478407.db2.gz GWPQJYNERBQCLW-HSZRJFAPSA-N 0 0 532.037 3.726 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000059929495 554478298 /nfs/dbraw/zinc/47/82/98/554478298.db2.gz KFSUOINFYYEPQX-DEOSSOPVSA-N 0 0 532.037 3.726 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl ZINC000059929500 554478294 /nfs/dbraw/zinc/47/82/94/554478294.db2.gz KFSUOINFYYEPQX-XMMPIXPASA-N 0 0 532.037 3.726 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000059929527 554478416 /nfs/dbraw/zinc/47/84/16/554478416.db2.gz OKXJISFKHQCIJS-HSZRJFAPSA-N 0 0 544.073 3.596 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000059929535 554478334 /nfs/dbraw/zinc/47/83/34/554478334.db2.gz OKXJISFKHQCIJS-QHCPKHFHSA-N 0 0 544.073 3.596 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000059929845 554478557 /nfs/dbraw/zinc/47/85/57/554478557.db2.gz NLCNUXIRDLKWMS-VWLOTQADSA-N 0 0 537.682 3.641 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000059929850 554478816 /nfs/dbraw/zinc/47/88/16/554478816.db2.gz NLCNUXIRDLKWMS-RUZDIDTESA-N 0 0 537.682 3.641 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1C ZINC000059929892 554478802 /nfs/dbraw/zinc/47/88/02/554478802.db2.gz XVMFNOQUNCFDMQ-QHCPKHFHSA-N 0 0 556.637 3.726 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1C ZINC000059929898 554478823 /nfs/dbraw/zinc/47/88/23/554478823.db2.gz XVMFNOQUNCFDMQ-HSZRJFAPSA-N 0 0 556.637 3.726 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000059930133 554479366 /nfs/dbraw/zinc/47/93/66/554479366.db2.gz LWVMNJNOGVABJT-SANMLTNESA-N 0 0 542.101 3.973 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000059930137 554479272 /nfs/dbraw/zinc/47/92/72/554479272.db2.gz LWVMNJNOGVABJT-AREMUKBSSA-N 0 0 542.101 3.973 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000059930185 554479375 /nfs/dbraw/zinc/47/93/75/554479375.db2.gz AZMAMENLNZHMEY-DEOSSOPVSA-N 0 0 558.100 3.986 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccc3OC)CC2)cc1Cl ZINC000059930187 554479306 /nfs/dbraw/zinc/47/93/06/554479306.db2.gz AZMAMENLNZHMEY-XMMPIXPASA-N 0 0 558.100 3.986 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059930195 554479406 /nfs/dbraw/zinc/47/94/06/554479406.db2.gz ZAGRLHGKWXFUQQ-VWLOTQADSA-N 0 0 586.110 3.701 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059930199 554479390 /nfs/dbraw/zinc/47/93/90/554479390.db2.gz ZAGRLHGKWXFUQQ-RUZDIDTESA-N 0 0 586.110 3.701 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000059930217 554479441 /nfs/dbraw/zinc/47/94/41/554479441.db2.gz ZATAWCCSTQKSBV-QHCPKHFHSA-N 0 0 575.039 3.840 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000059930225 554479345 /nfs/dbraw/zinc/47/93/45/554479345.db2.gz ZATAWCCSTQKSBV-HSZRJFAPSA-N 0 0 575.039 3.840 40 0 KHABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(I)cc1 ZINC000059930329 554479666 /nfs/dbraw/zinc/47/96/66/554479666.db2.gz OPMCZEDVPVDNCW-UHFFFAOYSA-N 0 0 522.792 3.993 40 0 KHABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000059930386 554479914 /nfs/dbraw/zinc/47/99/14/554479914.db2.gz MKZSKFGUOMXJDT-UHFFFAOYSA-N 0 0 570.111 3.674 40 0 KHABRN COc1ccccc1N1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000059930513 554479963 /nfs/dbraw/zinc/47/99/63/554479963.db2.gz UIKKTCYZAYKDBG-UHFFFAOYSA-N 0 0 539.654 3.641 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O ZINC000059930551 554480241 /nfs/dbraw/zinc/48/02/41/554480241.db2.gz XWLUXFWDJNOECX-UHFFFAOYSA-N 0 0 558.609 3.726 40 0 KHABRN CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000059930811 554480602 /nfs/dbraw/zinc/48/06/02/554480602.db2.gz ZNKMFDYRIJQAKO-UHFFFAOYSA-N 0 0 539.050 3.739 40 0 KHABRN COc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930871 554480689 /nfs/dbraw/zinc/48/06/89/554480689.db2.gz GBZLIAONUVSRQY-UHFFFAOYSA-N 0 0 533.002 3.982 40 0 KHABRN COc1ccc(CCNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931068 554481111 /nfs/dbraw/zinc/48/11/11/554481111.db2.gz KPRDPFVLEFHCCA-UHFFFAOYSA-N 0 0 546.617 3.799 40 0 KHABRN COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931185 554481396 /nfs/dbraw/zinc/48/13/96/554481396.db2.gz HJPYMPSCISEYSW-UHFFFAOYSA-N 0 0 541.645 3.767 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931194 554481293 /nfs/dbraw/zinc/48/12/93/554481293.db2.gz XIVUYDQYGVIOQH-UHFFFAOYSA-N 0 0 545.608 3.911 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931199 554481294 /nfs/dbraw/zinc/48/12/94/554481294.db2.gz DHFIMWQMTSOGIG-UHFFFAOYSA-N 0 0 545.608 3.911 40 0 KHABRN COc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931206 554481321 /nfs/dbraw/zinc/48/13/21/554481321.db2.gz BVSGZHBTUOGODP-UHFFFAOYSA-N 0 0 557.644 3.780 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O ZINC000059931259 554481339 /nfs/dbraw/zinc/48/13/39/554481339.db2.gz NBKTVRXGXDIXPD-UHFFFAOYSA-N 0 0 576.599 3.865 40 0 KHABRN COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc(C(=O)OC)c1 ZINC000059931263 554481675 /nfs/dbraw/zinc/48/16/75/554481675.db2.gz ZATNYQQDEPQDKC-UHFFFAOYSA-N 0 0 574.583 3.635 40 0 KHABRN COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931345 554481637 /nfs/dbraw/zinc/48/16/37/554481637.db2.gz RYPHIVCQDFQPNB-UHFFFAOYSA-N 0 0 532.590 3.756 40 0 KHABRN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc(I)cc1 ZINC000059931492 554481833 /nfs/dbraw/zinc/48/18/33/554481833.db2.gz KGESPKCULHHECU-UHFFFAOYSA-N 0 0 523.327 3.786 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000059952468 554482751 /nfs/dbraw/zinc/48/27/51/554482751.db2.gz SWMCMJICBXCPOU-QFIPXVFZSA-N 0 0 533.046 3.962 40 0 KHABRN CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000059952471 554482757 /nfs/dbraw/zinc/48/27/57/554482757.db2.gz SWMCMJICBXCPOU-JOCHJYFZSA-N 0 0 533.046 3.962 40 0 KHABRN C[C@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000059954395 554484187 /nfs/dbraw/zinc/48/41/87/554484187.db2.gz CBCVUPHQCBRCFP-KRWDZBQOSA-N 0 0 551.484 3.925 40 0 KHABRN C[C@@H](NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000059954405 554484164 /nfs/dbraw/zinc/48/41/64/554484164.db2.gz CBCVUPHQCBRCFP-QGZVFWFLSA-N 0 0 551.484 3.925 40 0 KHABRN C[C@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000059954821 554484203 /nfs/dbraw/zinc/48/42/03/554484203.db2.gz WXDGIEUOEWKUAQ-KRWDZBQOSA-N 0 0 551.484 3.925 40 0 KHABRN C[C@@H](NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000059954828 554484177 /nfs/dbraw/zinc/48/41/77/554484177.db2.gz WXDGIEUOEWKUAQ-QGZVFWFLSA-N 0 0 551.484 3.925 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000059956723 554484418 /nfs/dbraw/zinc/48/44/18/554484418.db2.gz HBFWZUJHAWRFGJ-KRWDZBQOSA-N 0 0 537.059 3.825 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000059956725 554484465 /nfs/dbraw/zinc/48/44/65/554484465.db2.gz HBFWZUJHAWRFGJ-QGZVFWFLSA-N 0 0 537.059 3.825 40 0 KHABRN COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059957478 554484405 /nfs/dbraw/zinc/48/44/05/554484405.db2.gz AKMWUJZLRHUZTO-KRWDZBQOSA-N 0 0 537.059 3.825 40 0 KHABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059957488 554484428 /nfs/dbraw/zinc/48/44/28/554484428.db2.gz AKMWUJZLRHUZTO-QGZVFWFLSA-N 0 0 537.059 3.825 40 0 KHABRN CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059964007 554484663 /nfs/dbraw/zinc/48/46/63/554484663.db2.gz BJWTUQFIIGGBPO-FQEVSTJZSA-N 0 0 530.668 3.870 40 0 KHABRN CCOc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059964009 554484631 /nfs/dbraw/zinc/48/46/31/554484631.db2.gz BJWTUQFIIGGBPO-HXUWFJFHSA-N 0 0 530.668 3.870 40 0 KHABRN CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059964234 554484570 /nfs/dbraw/zinc/48/45/70/554484570.db2.gz SFBDJIUZTXBHEO-FQEVSTJZSA-N 0 0 530.668 3.870 40 0 KHABRN CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059964240 554484636 /nfs/dbraw/zinc/48/46/36/554484636.db2.gz SFBDJIUZTXBHEO-HXUWFJFHSA-N 0 0 530.668 3.870 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059967653 554484579 /nfs/dbraw/zinc/48/45/79/554484579.db2.gz GXULCDGRKWGYOU-FQEVSTJZSA-N 0 0 530.668 3.788 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059967660 554484607 /nfs/dbraw/zinc/48/46/07/554484607.db2.gz GXULCDGRKWGYOU-HXUWFJFHSA-N 0 0 530.668 3.788 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000059980614 554484965 /nfs/dbraw/zinc/48/49/65/554484965.db2.gz DENYBJMBQYKZEW-KRWDZBQOSA-N 0 0 597.111 3.842 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000059980615 554484961 /nfs/dbraw/zinc/48/49/61/554484961.db2.gz DENYBJMBQYKZEW-QGZVFWFLSA-N 0 0 597.111 3.842 40 0 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KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000060015831 554485545 /nfs/dbraw/zinc/48/55/45/554485545.db2.gz MYDGTAUAQLIXSG-UHFFFAOYSA-N 0 0 543.667 3.622 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000060015836 554485514 /nfs/dbraw/zinc/48/55/14/554485514.db2.gz WGXHYAOVSSDNLL-UHFFFAOYSA-N 0 0 531.656 3.524 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000060015839 554485555 /nfs/dbraw/zinc/48/55/55/554485555.db2.gz KLFXBTOWVHQXMS-UHFFFAOYSA-N 0 0 543.667 3.622 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000060015842 554485521 /nfs/dbraw/zinc/48/55/21/554485521.db2.gz GIGUAMNLFBIAMK-UHFFFAOYSA-N 0 0 531.656 3.524 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000060015844 554485533 /nfs/dbraw/zinc/48/55/33/554485533.db2.gz JPYBFCOJGHHGDZ-UHFFFAOYSA-N 0 0 545.683 3.833 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000060015849 554485566 /nfs/dbraw/zinc/48/55/66/554485566.db2.gz WCZXBZNTKFMVEX-UHFFFAOYSA-N 0 0 545.683 3.833 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000060015852 554485592 /nfs/dbraw/zinc/48/55/92/554485592.db2.gz SLQZWUQGHFYGCZ-UHFFFAOYSA-N 0 0 557.694 3.931 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 ZINC000060015853 554485519 /nfs/dbraw/zinc/48/55/19/554485519.db2.gz HHRLVZNGAVDGHG-UHFFFAOYSA-N 0 0 545.683 3.833 40 0 KHABRN CCc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000060015854 554485575 /nfs/dbraw/zinc/48/55/75/554485575.db2.gz KWGVKRWJZKAUQQ-UHFFFAOYSA-N 0 0 557.694 3.876 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000060015860 554485548 /nfs/dbraw/zinc/48/55/48/554485548.db2.gz FANQOFXWNURROB-UHFFFAOYSA-N 0 0 552.074 3.869 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000060015865 554485839 /nfs/dbraw/zinc/48/58/39/554485839.db2.gz NJXLWCNIGHDQEP-UHFFFAOYSA-N 0 0 564.085 3.967 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000060015868 554485817 /nfs/dbraw/zinc/48/58/17/554485817.db2.gz ZTEYBEUBXFSCTK-UHFFFAOYSA-N 0 0 552.074 3.869 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000060015873 554485807 /nfs/dbraw/zinc/48/58/07/554485807.db2.gz UWLSPRVUSXEJAU-UHFFFAOYSA-N 0 0 564.085 3.967 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000060015877 554485881 /nfs/dbraw/zinc/48/58/81/554485881.db2.gz IRUFWLIMJRXUTA-UHFFFAOYSA-N 0 0 552.074 3.869 40 0 KHABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 ZINC000060015911 554485792 /nfs/dbraw/zinc/48/57/92/554485792.db2.gz ZJUOLEUPSIQBPZ-UHFFFAOYSA-N 0 0 596.525 3.978 40 0 KHABRN 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ZINC000100275999 554272504 /nfs/dbraw/zinc/27/25/04/554272504.db2.gz VNLFSIQBOFXODX-RUZDIDTESA-N 0 0 548.575 3.841 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000100276104 554272780 /nfs/dbraw/zinc/27/27/80/554272780.db2.gz VFYYSHBEBDMHKQ-SANMLTNESA-N 0 0 546.628 3.944 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)cc3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000100276109 554272745 /nfs/dbraw/zinc/27/27/45/554272745.db2.gz VFYYSHBEBDMHKQ-AREMUKBSSA-N 0 0 546.628 3.944 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000100276114 554272809 /nfs/dbraw/zinc/27/28/09/554272809.db2.gz BNZBJDMKPFJYKL-MHZLTWQESA-N 0 0 576.654 3.952 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C(=O)NC(C)(C)C)c2ccc(C)o2)cc1 ZINC000100276118 554272748 /nfs/dbraw/zinc/27/27/48/554272748.db2.gz BNZBJDMKPFJYKL-HHHXNRCGSA-N 0 0 576.654 3.952 40 0 KHABRN 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NPVBTXGNIRHVKJ-DEOSSOPVSA-N 0 0 534.573 3.556 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)o1 ZINC000100276153 554272814 /nfs/dbraw/zinc/27/28/14/554272814.db2.gz NPVBTXGNIRHVKJ-XMMPIXPASA-N 0 0 534.573 3.556 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276163 554272840 /nfs/dbraw/zinc/27/28/40/554272840.db2.gz ANEYAZRUDCNAJK-DEOSSOPVSA-N 0 0 536.589 3.537 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276166 554272732 /nfs/dbraw/zinc/27/27/32/554272732.db2.gz ANEYAZRUDCNAJK-XMMPIXPASA-N 0 0 536.589 3.537 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276197 554273100 /nfs/dbraw/zinc/27/31/00/554273100.db2.gz GJANOGZWQRYWKQ-MHZLTWQESA-N 0 0 590.637 3.719 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC(C)(C)C)c3ccc(C)o3)n2)cc1OC ZINC000100276202 554273006 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ZINC000100276290 554273047 /nfs/dbraw/zinc/27/30/47/554273047.db2.gz BWWAAAJMHISQDZ-QHCPKHFHSA-N 0 0 536.614 3.763 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000100276295 554273104 /nfs/dbraw/zinc/27/31/04/554273104.db2.gz BWWAAAJMHISQDZ-HSZRJFAPSA-N 0 0 536.614 3.763 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276433 554273341 /nfs/dbraw/zinc/27/33/41/554273341.db2.gz LHYBGWCORGQJAS-MHZLTWQESA-N 0 0 562.602 3.918 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276436 554273434 /nfs/dbraw/zinc/27/34/34/554273434.db2.gz LHYBGWCORGQJAS-HHHXNRCGSA-N 0 0 562.602 3.918 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1OC ZINC000100276507 554273364 /nfs/dbraw/zinc/27/33/64/554273364.db2.gz YSPLEJPURMAVNX-PMERELPUSA-N 0 0 618.691 3.839 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1OC ZINC000100276509 554273425 /nfs/dbraw/zinc/27/34/25/554273425.db2.gz YSPLEJPURMAVNX-SSEXGKCCSA-N 0 0 618.691 3.839 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000100276512 554273415 /nfs/dbraw/zinc/27/34/15/554273415.db2.gz VXNKSHNJIXIXNO-NDEPHWFRSA-N 0 0 588.621 3.508 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3ccco3)n2)cc1OC ZINC000100276515 554273332 /nfs/dbraw/zinc/27/33/32/554273332.db2.gz VXNKSHNJIXIXNO-MUUNZHRXSA-N 0 0 588.621 3.508 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1OC ZINC000100276623 554273575 /nfs/dbraw/zinc/27/35/75/554273575.db2.gz VGCWFPBXJWOGMS-SANMLTNESA-N 0 0 548.600 3.681 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1OC ZINC000100276625 554273590 /nfs/dbraw/zinc/27/35/90/554273590.db2.gz VGCWFPBXJWOGMS-AREMUKBSSA-N 0 0 548.600 3.681 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1OC ZINC000100276639 554273585 /nfs/dbraw/zinc/27/35/85/554273585.db2.gz BMBQLPWXVNCGIV-LJAQVGFWSA-N 0 0 602.648 3.863 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1OC ZINC000100276641 554273612 /nfs/dbraw/zinc/27/36/12/554273612.db2.gz BMBQLPWXVNCGIV-GDLZYMKVSA-N 0 0 602.648 3.863 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC ZINC000100276680 554273667 /nfs/dbraw/zinc/27/36/67/554273667.db2.gz PCVVLHXLHBNRLA-NDEPHWFRSA-N 0 0 604.689 3.976 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC ZINC000100276684 554273980 /nfs/dbraw/zinc/27/39/80/554273980.db2.gz PCVVLHXLHBNRLA-MUUNZHRXSA-N 0 0 604.689 3.976 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000100276685 554273944 /nfs/dbraw/zinc/27/39/44/554273944.db2.gz XLQHJKZQJFSMFL-VWLOTQADSA-N 0 0 548.625 3.861 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc4c(c3)OCO4)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000100276688 554273983 /nfs/dbraw/zinc/27/39/83/554273983.db2.gz XLQHJKZQJFSMFL-RUZDIDTESA-N 0 0 548.625 3.861 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC ZINC000100276706 554273974 /nfs/dbraw/zinc/27/39/74/554273974.db2.gz FSGXDVGTQKMECI-VWLOTQADSA-N 0 0 550.641 3.841 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1OC ZINC000100276710 554273939 /nfs/dbraw/zinc/27/39/39/554273939.db2.gz FSGXDVGTQKMECI-RUZDIDTESA-N 0 0 550.641 3.841 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000100276729 554273912 /nfs/dbraw/zinc/27/39/12/554273912.db2.gz HFVQBCZQGDNZQG-VWLOTQADSA-N 0 0 548.625 3.908 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000100276731 554273977 /nfs/dbraw/zinc/27/39/77/554273977.db2.gz HFVQBCZQGDNZQG-RUZDIDTESA-N 0 0 548.625 3.908 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C)C(=O)NC3CCCCC3)n2)cc1OC ZINC000100276738 554273917 /nfs/dbraw/zinc/27/39/17/554273917.db2.gz IRNQDHUQLKUMIU-SFHVURJKSA-N 0 0 541.052 3.877 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276796 554273950 /nfs/dbraw/zinc/27/39/50/554273950.db2.gz YQNMBOZUCSYWTD-CUBQBAPOSA-N 0 0 580.661 3.694 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276799 554273897 /nfs/dbraw/zinc/27/38/97/554273897.db2.gz YQNMBOZUCSYWTD-YWEHKCAJSA-N 0 0 580.661 3.694 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276801 554273959 /nfs/dbraw/zinc/27/39/59/554273959.db2.gz YQNMBOZUCSYWTD-RBJSKKJNSA-N 0 0 580.661 3.694 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3ccc(F)cc3)n2)cc1OC ZINC000100276804 554273936 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554274480 /nfs/dbraw/zinc/27/44/80/554274480.db2.gz AUVLZNGLMNFXFM-LJAQVGFWSA-N 0 0 602.648 3.945 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCCC3)c3ccco3)n2)cc1OC ZINC000100277024 554274443 /nfs/dbraw/zinc/27/44/43/554274443.db2.gz AUVLZNGLMNFXFM-GDLZYMKVSA-N 0 0 602.648 3.945 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1OC ZINC000100277148 554274806 /nfs/dbraw/zinc/27/48/06/554274806.db2.gz LCVWBSDMMYWAIB-LVXARBLLSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1OC ZINC000100277151 554274774 /nfs/dbraw/zinc/27/47/74/554274774.db2.gz LCVWBSDMMYWAIB-RLWLMLJZSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1OC ZINC000100277152 554274759 /nfs/dbraw/zinc/27/47/59/554274759.db2.gz LCVWBSDMMYWAIB-HFZDXXHNSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(C[C@H]3CCCO3)[C@@H](C(=O)NC3CCCCC3)c3cccs3)n2)cc1OC ZINC000100277155 554274803 /nfs/dbraw/zinc/27/48/03/554274803.db2.gz LCVWBSDMMYWAIB-QFQXNSOFSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277372 554275258 /nfs/dbraw/zinc/27/52/58/554275258.db2.gz SRNRMXOYKDSHAU-CUNXSJBXSA-N 0 0 594.669 3.623 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277374 554275278 /nfs/dbraw/zinc/27/52/78/554275278.db2.gz SRNRMXOYKDSHAU-WXVAWEFUSA-N 0 0 594.669 3.623 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277376 554275270 /nfs/dbraw/zinc/27/52/70/554275270.db2.gz SRNRMXOYKDSHAU-AMGIVPHBSA-N 0 0 594.669 3.623 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)cc1OC ZINC000100277379 554275243 /nfs/dbraw/zinc/27/52/43/554275243.db2.gz SRNRMXOYKDSHAU-AJTFRIOCSA-N 0 0 594.669 3.623 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277551 554275518 /nfs/dbraw/zinc/27/55/18/554275518.db2.gz LGEBHUCTNZRCFT-HOFKKMOUSA-N 0 0 579.057 3.969 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277555 554275503 /nfs/dbraw/zinc/27/55/03/554275503.db2.gz LGEBHUCTNZRCFT-WNCULLNHSA-N 0 0 579.057 3.969 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277557 554275551 /nfs/dbraw/zinc/27/55/51/554275551.db2.gz LGEBHUCTNZRCFT-KCWPFWIISA-N 0 0 579.057 3.969 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1 ZINC000100277561 554275538 /nfs/dbraw/zinc/27/55/38/554275538.db2.gz LGEBHUCTNZRCFT-YIXXDRMTSA-N 0 0 579.057 3.969 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277567 554275554 /nfs/dbraw/zinc/27/55/54/554275554.db2.gz LCKZJFFZZUOIJH-DWACAAAGSA-N 0 0 609.083 3.977 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277570 554275528 /nfs/dbraw/zinc/27/55/28/554275528.db2.gz LCKZJFFZZUOIJH-RBISFHTESA-N 0 0 609.083 3.977 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277573 554275464 /nfs/dbraw/zinc/27/54/64/554275464.db2.gz LCKZJFFZZUOIJH-DFHRPNOPSA-N 0 0 609.083 3.977 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3Cl)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(C)o3)n2)cc1OC ZINC000100277577 554275544 /nfs/dbraw/zinc/27/55/44/554275544.db2.gz LCKZJFFZZUOIJH-SKCUWOTOSA-N 0 0 609.083 3.977 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)C3CCCCC3)n2)cc1OC ZINC000100277725 554276109 /nfs/dbraw/zinc/27/61/09/554276109.db2.gz LGHGUZMLJKZUND-LVXARBLLSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)C3CCCCC3)n2)cc1OC ZINC000100277727 554276154 /nfs/dbraw/zinc/27/61/54/554276154.db2.gz LGHGUZMLJKZUND-HFZDXXHNSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N([C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)C3CCCCC3)n2)cc1OC ZINC000100277730 554276058 /nfs/dbraw/zinc/27/60/58/554276058.db2.gz LGHGUZMLJKZUND-RLWLMLJZSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N([C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)C3CCCCC3)n2)cc1OC ZINC000100277736 554276128 /nfs/dbraw/zinc/27/61/28/554276128.db2.gz LGHGUZMLJKZUND-QFQXNSOFSA-N 0 0 568.700 3.617 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277816 554276144 /nfs/dbraw/zinc/27/61/44/554276144.db2.gz CXSGBZPUWUSNPL-DFBJGRDBSA-N 0 0 582.708 3.546 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277818 554276099 /nfs/dbraw/zinc/27/60/99/554276099.db2.gz CXSGBZPUWUSNPL-UQBPGWFLSA-N 0 0 582.708 3.546 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277821 554276051 /nfs/dbraw/zinc/27/60/51/554276051.db2.gz CXSGBZPUWUSNPL-CLOONOSVSA-N 0 0 582.708 3.546 40 0 KHABRN COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)cc1OC ZINC000100277823 554276118 /nfs/dbraw/zinc/27/61/18/554276118.db2.gz CXSGBZPUWUSNPL-KBMIEXCESA-N 0 0 582.708 3.546 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000100281138 554276627 /nfs/dbraw/zinc/27/66/27/554276627.db2.gz XLXZHWVDVTYQRH-LYRGBEMXSA-N 0 0 543.041 3.868 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000100281141 554276691 /nfs/dbraw/zinc/27/66/91/554276691.db2.gz XLXZHWVDVTYQRH-JGTYQCAFSA-N 0 0 543.041 3.868 40 0 KHABRN COCc1cccc(N2C(=O)C[C@@H]([C@H]3CC(C)=C4C(=O)N(c5cccc(COC)c5)C(=O)[C@@H]4C3)C2=O)c1 ZINC000100283512 554277155 /nfs/dbraw/zinc/27/71/55/554277155.db2.gz ZBWYVZCZEVKCGU-ZUDIISFQSA-N 0 0 502.567 3.631 40 0 KHABRN COCc1cccc(N2C(=O)C[C@@H]([C@@H]3CC(C)=C4C(=O)N(c5cccc(COC)c5)C(=O)[C@@H]4C3)C2=O)c1 ZINC000100283515 554277255 /nfs/dbraw/zinc/27/72/55/554277255.db2.gz ZBWYVZCZEVKCGU-JOXZGHKQSA-N 0 0 502.567 3.631 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(CCc2ccccc2C)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000100284045 554277597 /nfs/dbraw/zinc/27/75/97/554277597.db2.gz SEJPENFGYOJMIA-DEOSSOPVSA-N 0 0 531.638 3.777 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(CCc2ccccc2C)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000100284047 554277626 /nfs/dbraw/zinc/27/76/26/554277626.db2.gz SEJPENFGYOJMIA-XMMPIXPASA-N 0 0 531.638 3.777 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100284067 554277584 /nfs/dbraw/zinc/27/75/84/554277584.db2.gz SMQGSLWZCWQKEE-DEOSSOPVSA-N 0 0 529.622 3.846 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100284068 554277648 /nfs/dbraw/zinc/27/76/48/554277648.db2.gz SMQGSLWZCWQKEE-XMMPIXPASA-N 0 0 529.622 3.846 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1 ZINC000100284074 554277610 /nfs/dbraw/zinc/27/76/10/554277610.db2.gz HBTPYCUNBSDTSW-DEOSSOPVSA-N 0 0 529.622 3.846 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1 ZINC000100284078 554277559 /nfs/dbraw/zinc/27/75/59/554277559.db2.gz HBTPYCUNBSDTSW-XMMPIXPASA-N 0 0 529.622 3.846 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000100284083 554277656 /nfs/dbraw/zinc/27/76/56/554277656.db2.gz TWZRMOOXFUTURV-DEOSSOPVSA-N 0 0 529.622 3.846 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000100284086 554277605 /nfs/dbraw/zinc/27/76/05/554277605.db2.gz TWZRMOOXFUTURV-XMMPIXPASA-N 0 0 529.622 3.846 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2OC)cc1 ZINC000100284137 554277821 /nfs/dbraw/zinc/27/78/21/554277821.db2.gz HUUCUSFQAFHROE-VWLOTQADSA-N 0 0 559.648 3.854 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2OC)cc1 ZINC000100284140 554277894 /nfs/dbraw/zinc/27/78/94/554277894.db2.gz HUUCUSFQAFHROE-RUZDIDTESA-N 0 0 559.648 3.854 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1Cl ZINC000100284326 554277909 /nfs/dbraw/zinc/27/79/09/554277909.db2.gz ZMJCVLFNAYSODG-UWJYYQICSA-N 0 0 546.024 3.608 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1Cl ZINC000100284328 554277885 /nfs/dbraw/zinc/27/78/85/554277885.db2.gz ZMJCVLFNAYSODG-LAUBAEHRSA-N 0 0 546.024 3.608 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1Cl ZINC000100284331 554277904 /nfs/dbraw/zinc/27/79/04/554277904.db2.gz ZMJCVLFNAYSODG-UTKZUKDTSA-N 0 0 546.024 3.608 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1Cl ZINC000100284334 554277890 /nfs/dbraw/zinc/27/78/90/554277890.db2.gz ZMJCVLFNAYSODG-DYESRHJHSA-N 0 0 546.024 3.608 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000100284379 554277782 /nfs/dbraw/zinc/27/77/82/554277782.db2.gz FGYJPJWXAPDGIR-QFIPXVFZSA-N 0 0 539.589 3.529 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000100284383 554278169 /nfs/dbraw/zinc/27/81/69/554278169.db2.gz FGYJPJWXAPDGIR-JOCHJYFZSA-N 0 0 539.589 3.529 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000100284388 554278170 /nfs/dbraw/zinc/27/81/70/554278170.db2.gz RCMROYALWZJNLM-QHCPKHFHSA-N 0 0 553.616 3.572 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCCO3)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000100284391 554278176 /nfs/dbraw/zinc/27/81/76/554278176.db2.gz RCMROYALWZJNLM-HSZRJFAPSA-N 0 0 553.616 3.572 40 0 KHABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC ZINC000100284400 554278188 /nfs/dbraw/zinc/27/81/88/554278188.db2.gz CTLLGCLPHPEGBN-VWLOTQADSA-N 0 0 583.686 3.856 40 0 KHABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1OC ZINC000100284404 554278191 /nfs/dbraw/zinc/27/81/91/554278191.db2.gz CTLLGCLPHPEGBN-RUZDIDTESA-N 0 0 583.686 3.856 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000100284409 554278206 /nfs/dbraw/zinc/27/82/06/554278206.db2.gz PXUVGPDLKMMFSQ-QFIPXVFZSA-N 0 0 527.597 3.935 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1N ZINC000100284415 554278171 /nfs/dbraw/zinc/27/81/71/554278171.db2.gz PXUVGPDLKMMFSQ-JOCHJYFZSA-N 0 0 527.597 3.935 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000100284564 554278523 /nfs/dbraw/zinc/27/85/23/554278523.db2.gz MAJFQBPXBCPIOM-DEOSSOPVSA-N 0 0 547.612 3.985 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000100284567 554278461 /nfs/dbraw/zinc/27/84/61/554278461.db2.gz MAJFQBPXBCPIOM-XMMPIXPASA-N 0 0 547.612 3.985 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000100284570 554278497 /nfs/dbraw/zinc/27/84/97/554278497.db2.gz ZUDMVTUMFZJIIJ-QHCPKHFHSA-N 0 0 533.585 3.676 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000100284572 554278472 /nfs/dbraw/zinc/27/84/72/554278472.db2.gz ZUDMVTUMFZJIIJ-HSZRJFAPSA-N 0 0 533.585 3.676 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000100284576 554278502 /nfs/dbraw/zinc/27/85/02/554278502.db2.gz LQLQIBVCRHKANU-QHCPKHFHSA-N 0 0 533.585 3.676 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000100284579 554278476 /nfs/dbraw/zinc/27/84/76/554278476.db2.gz LQLQIBVCRHKANU-HSZRJFAPSA-N 0 0 533.585 3.676 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284604 554278487 /nfs/dbraw/zinc/27/84/87/554278487.db2.gz ICTRIJPMEIIXKK-JOCHJYFZSA-N 0 0 521.549 3.807 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccccc2F)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284608 554278519 /nfs/dbraw/zinc/27/85/19/554278519.db2.gz ICTRIJPMEIIXKK-QFIPXVFZSA-N 0 0 521.549 3.807 40 0 KHABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1OC ZINC000100284615 554278480 /nfs/dbraw/zinc/27/84/80/554278480.db2.gz ASWCUTQTYBZZQN-SANMLTNESA-N 0 0 591.665 3.723 40 0 KHABRN COc1ccc(CCN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1OC ZINC000100284616 554278514 /nfs/dbraw/zinc/27/85/14/554278514.db2.gz ASWCUTQTYBZZQN-AREMUKBSSA-N 0 0 591.665 3.723 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284621 554278510 /nfs/dbraw/zinc/27/85/10/554278510.db2.gz FHORBORFILJJHW-OAQYLSRUSA-N 0 0 523.615 3.725 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284624 554278466 /nfs/dbraw/zinc/27/84/66/554278466.db2.gz FHORBORFILJJHW-NRFANRHFSA-N 0 0 523.615 3.725 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284635 554278458 /nfs/dbraw/zinc/27/84/58/554278458.db2.gz WXZJWXLFTCNVJK-HSZRJFAPSA-N 0 0 535.576 3.803 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1N ZINC000100284638 554278498 /nfs/dbraw/zinc/27/84/98/554278498.db2.gz WXZJWXLFTCNVJK-QHCPKHFHSA-N 0 0 535.576 3.803 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000100284928 554279117 /nfs/dbraw/zinc/27/91/17/554279117.db2.gz SVXYMVMWQLOYFB-FQEVSTJZSA-N 0 0 547.559 3.996 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC2CCCC2)c2ccc(O)cc2)c1N ZINC000100284931 554279157 /nfs/dbraw/zinc/27/91/57/554279157.db2.gz SVXYMVMWQLOYFB-HXUWFJFHSA-N 0 0 547.559 3.996 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1C ZINC000100284963 554279186 /nfs/dbraw/zinc/27/91/86/554279186.db2.gz ZLDJOZCJWDCNDF-DEOSSOPVSA-N 0 0 529.622 3.851 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1C ZINC000100284966 554279160 /nfs/dbraw/zinc/27/91/60/554279160.db2.gz ZLDJOZCJWDCNDF-XMMPIXPASA-N 0 0 529.622 3.851 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c(C)c1 ZINC000100284968 554279184 /nfs/dbraw/zinc/27/91/84/554279184.db2.gz TZAAZUWZZIFFPD-DEOSSOPVSA-N 0 0 529.622 3.851 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c(C)c1 ZINC000100284970 554279147 /nfs/dbraw/zinc/27/91/47/554279147.db2.gz TZAAZUWZZIFFPD-XMMPIXPASA-N 0 0 529.622 3.851 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000100284973 554279206 /nfs/dbraw/zinc/27/92/06/554279206.db2.gz SUHOPSRFEKYFEH-DEOSSOPVSA-N 0 0 529.622 3.851 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000100284978 554279128 /nfs/dbraw/zinc/27/91/28/554279128.db2.gz SUHOPSRFEKYFEH-XMMPIXPASA-N 0 0 529.622 3.851 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1C ZINC000100284982 554279133 /nfs/dbraw/zinc/27/91/33/554279133.db2.gz KZDKEYZSICFVRL-DEOSSOPVSA-N 0 0 529.622 3.851 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)cc1C ZINC000100284986 554279198 /nfs/dbraw/zinc/27/91/98/554279198.db2.gz KZDKEYZSICFVRL-XMMPIXPASA-N 0 0 529.622 3.851 40 0 KHABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000100284987 554279182 /nfs/dbraw/zinc/27/91/82/554279182.db2.gz LNZUKWTVQPKQOI-DEOSSOPVSA-N 0 0 529.622 3.851 40 0 KHABRN Cc1cc(C)cc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1 ZINC000100284989 554279140 /nfs/dbraw/zinc/27/91/40/554279140.db2.gz LNZUKWTVQPKQOI-XMMPIXPASA-N 0 0 529.622 3.851 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000100285042 554279101 /nfs/dbraw/zinc/27/91/01/554279101.db2.gz BKEDRDYUXKOWQF-HSZRJFAPSA-N 0 0 550.040 3.883 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2Cl)[C@H](C(=O)NCc2ccccc2)c2ccc(O)cc2)c1N ZINC000100285047 554279114 /nfs/dbraw/zinc/27/91/14/554279114.db2.gz BKEDRDYUXKOWQF-QHCPKHFHSA-N 0 0 550.040 3.883 40 0 KHABRN Cc1c(Cl)cccc1NC(=O)CSCCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 ZINC000100285542 554279439 /nfs/dbraw/zinc/27/94/39/554279439.db2.gz CXWFGFBMNIMPHY-UHFFFAOYSA-N 0 0 627.166 3.727 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000100285736 554279553 /nfs/dbraw/zinc/27/95/53/554279553.db2.gz KPYZHROEIGUNNW-IADCTJSHSA-N 0 0 622.773 3.783 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000100285739 554279573 /nfs/dbraw/zinc/27/95/73/554279573.db2.gz KPYZHROEIGUNNW-BTYSJIOQSA-N 0 0 622.773 3.783 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000100285741 554279563 /nfs/dbraw/zinc/27/95/63/554279563.db2.gz KPYZHROEIGUNNW-MUAVYFROSA-N 0 0 622.773 3.783 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000100285743 554279583 /nfs/dbraw/zinc/27/95/83/554279583.db2.gz KPYZHROEIGUNNW-RNWIMVQKSA-N 0 0 622.773 3.783 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cn2nnc3ccccc32)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1 ZINC000100285751 554279669 /nfs/dbraw/zinc/27/96/69/554279669.db2.gz JFHFQCRJPPQLBJ-LJAQVGFWSA-N 0 0 590.706 3.951 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000100285775 554279662 /nfs/dbraw/zinc/27/96/62/554279662.db2.gz BVOFBWJBLYPPQN-LJAQVGFWSA-N 0 0 622.773 3.737 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000100285780 554279957 /nfs/dbraw/zinc/27/99/57/554279957.db2.gz BVOFBWJBLYPPQN-GDLZYMKVSA-N 0 0 622.773 3.737 40 0 KHABRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)o3)cc2)C1 ZINC000100285953 554279892 /nfs/dbraw/zinc/27/98/92/554279892.db2.gz MNQZATKJMWYOPR-LJQANCHMSA-N 0 0 605.764 3.673 40 0 KHABRN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)o3)cc2)C1 ZINC000100285955 554279947 /nfs/dbraw/zinc/27/99/47/554279947.db2.gz MNQZATKJMWYOPR-IBGZPJMESA-N 0 0 605.764 3.673 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(CCN1CCOCC1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000100288760 554281746 /nfs/dbraw/zinc/28/17/46/554281746.db2.gz PSDLCQFMLKGEPS-SANMLTNESA-N 0 0 586.524 3.608 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(CCN1CCOCC1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000100288763 554281814 /nfs/dbraw/zinc/28/18/14/554281814.db2.gz PSDLCQFMLKGEPS-AREMUKBSSA-N 0 0 586.524 3.608 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000100288816 554281785 /nfs/dbraw/zinc/28/17/85/554281785.db2.gz WOKLIDARRALLRN-NRFANRHFSA-N 0 0 528.034 3.933 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 ZINC000100288817 554281755 /nfs/dbraw/zinc/28/17/55/554281755.db2.gz WOKLIDARRALLRN-OAQYLSRUSA-N 0 0 528.034 3.933 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000100288822 554281851 /nfs/dbraw/zinc/28/18/51/554281851.db2.gz ARAWHPQNUXANKJ-NRFANRHFSA-N 0 0 528.034 3.933 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2ccc(Cl)cc2)c1 ZINC000100288833 554281834 /nfs/dbraw/zinc/28/18/34/554281834.db2.gz ARAWHPQNUXANKJ-OAQYLSRUSA-N 0 0 528.034 3.933 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000100288975 554281763 /nfs/dbraw/zinc/28/17/63/554281763.db2.gz UNBBWHKIOVOIMT-MHZLTWQESA-N 0 0 558.595 3.552 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc4c(c3)OCCO4)[C@@H](C(=O)NC3CCCC3)c3ccc(O)cc3)n2)o1 ZINC000100288976 554282165 /nfs/dbraw/zinc/28/21/65/554282165.db2.gz UNBBWHKIOVOIMT-HHHXNRCGSA-N 0 0 558.595 3.552 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000100289640 554282432 /nfs/dbraw/zinc/28/24/32/554282432.db2.gz VOUGNIAWDMCQGK-NDEPHWFRSA-N 0 0 580.133 3.653 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000100289643 554282377 /nfs/dbraw/zinc/28/23/77/554282377.db2.gz VOUGNIAWDMCQGK-MUUNZHRXSA-N 0 0 580.133 3.653 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000100289650 554282404 /nfs/dbraw/zinc/28/24/04/554282404.db2.gz RGERZAGPAXWGAR-DEOSSOPVSA-N 0 0 549.653 3.694 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000100289653 554282306 /nfs/dbraw/zinc/28/23/06/554282306.db2.gz RGERZAGPAXWGAR-XMMPIXPASA-N 0 0 549.653 3.694 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1OC ZINC000100289672 554282388 /nfs/dbraw/zinc/28/23/88/554282388.db2.gz KAFMXWMEQZLVFZ-DEOSSOPVSA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1OC ZINC000100289675 554282358 /nfs/dbraw/zinc/28/23/58/554282358.db2.gz KAFMXWMEQZLVFZ-XMMPIXPASA-N 0 0 551.669 3.987 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000100289682 554282440 /nfs/dbraw/zinc/28/24/40/554282440.db2.gz CSPYAIZPRWPHDW-DEOSSOPVSA-N 0 0 549.653 3.741 40 0 KHABRN Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc3c(c2)OCCO3)cc1 ZINC000100289683 554282322 /nfs/dbraw/zinc/28/23/22/554282322.db2.gz CSPYAIZPRWPHDW-XMMPIXPASA-N 0 0 549.653 3.741 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000100289773 554282677 /nfs/dbraw/zinc/28/26/77/554282677.db2.gz MTGVFWSBSLQVMY-AHWVRZQESA-N 0 0 538.599 3.816 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000100289775 554282670 /nfs/dbraw/zinc/28/26/70/554282670.db2.gz MTGVFWSBSLQVMY-RSXGOPAZSA-N 0 0 538.599 3.816 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000100289778 554282701 /nfs/dbraw/zinc/28/27/01/554282701.db2.gz MTGVFWSBSLQVMY-AZGAKELHSA-N 0 0 538.599 3.816 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000100289782 554282651 /nfs/dbraw/zinc/28/26/51/554282651.db2.gz MTGVFWSBSLQVMY-AOYPEHQESA-N 0 0 538.599 3.816 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000100290127 554283221 /nfs/dbraw/zinc/28/32/21/554283221.db2.gz DHKKNYYOZJXBGL-DEOSSOPVSA-N 0 0 531.613 3.972 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000100290129 554283121 /nfs/dbraw/zinc/28/31/21/554283121.db2.gz DHKKNYYOZJXBGL-XMMPIXPASA-N 0 0 531.613 3.972 40 0 KHABRN Cc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000100290131 554283155 /nfs/dbraw/zinc/28/31/55/554283155.db2.gz QMIZDUFQQXFMBM-VWLOTQADSA-N 0 0 557.632 3.561 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccc3c(c2)OCO3)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000100290134 554283191 /nfs/dbraw/zinc/28/31/91/554283191.db2.gz QMIZDUFQQXFMBM-RUZDIDTESA-N 0 0 557.632 3.561 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000100290306 554283483 /nfs/dbraw/zinc/28/34/83/554283483.db2.gz NRCBGSTWDQFFPV-WIOPSUGQSA-N 0 0 534.617 3.606 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000100290310 554283436 /nfs/dbraw/zinc/28/34/36/554283436.db2.gz NRCBGSTWDQFFPV-DHLKQENFSA-N 0 0 534.617 3.606 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000100290314 554283510 /nfs/dbraw/zinc/28/35/10/554283510.db2.gz NRCBGSTWDQFFPV-RCZVLFRGSA-N 0 0 534.617 3.606 40 0 KHABRN O=C(Cn1nnc(-c2ccc(F)cc2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NCc1ccccc1)c1cccs1 ZINC000100290318 554283390 /nfs/dbraw/zinc/28/33/90/554283390.db2.gz NRCBGSTWDQFFPV-RDGATRHJSA-N 0 0 534.617 3.606 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000100290543 554283728 /nfs/dbraw/zinc/28/37/28/554283728.db2.gz APDRBMBVDIOAKS-FIPFOOKPSA-N 0 0 560.605 3.992 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000100290546 554283653 /nfs/dbraw/zinc/28/36/53/554283653.db2.gz APDRBMBVDIOAKS-NEKDWFFYSA-N 0 0 560.605 3.992 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000100290549 554283660 /nfs/dbraw/zinc/28/36/60/554283660.db2.gz APDRBMBVDIOAKS-LXFBAYGMSA-N 0 0 560.605 3.992 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2F)C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 ZINC000100290551 554283669 /nfs/dbraw/zinc/28/36/69/554283669.db2.gz APDRBMBVDIOAKS-QDPGVEIFSA-N 0 0 560.605 3.992 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000100290554 554283649 /nfs/dbraw/zinc/28/36/49/554283649.db2.gz PKJKTXBHHAZCCF-OZXSUGGESA-N 0 0 549.031 3.960 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000100290556 554283700 /nfs/dbraw/zinc/28/37/00/554283700.db2.gz PKJKTXBHHAZCCF-JYFHCDHNSA-N 0 0 549.031 3.960 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000100290560 554283685 /nfs/dbraw/zinc/28/36/85/554283685.db2.gz PKJKTXBHHAZCCF-BVAGGSTKSA-N 0 0 549.031 3.960 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccco2)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 ZINC000100290563 554283738 /nfs/dbraw/zinc/28/37/38/554283738.db2.gz PKJKTXBHHAZCCF-ZEQKJWHPSA-N 0 0 549.031 3.960 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 ZINC000100290605 554283688 /nfs/dbraw/zinc/28/36/88/554283688.db2.gz JINATXKAYNRDMI-URXFXBBRSA-N 0 0 535.670 3.939 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 ZINC000100290609 554283635 /nfs/dbraw/zinc/28/36/35/554283635.db2.gz JINATXKAYNRDMI-XUZZJYLKSA-N 0 0 535.670 3.939 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 ZINC000100290612 554283691 /nfs/dbraw/zinc/28/36/91/554283691.db2.gz JINATXKAYNRDMI-QPPBQGQZSA-N 0 0 535.670 3.939 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C(C)C)cc2)cc1 ZINC000100290614 554283639 /nfs/dbraw/zinc/28/36/39/554283639.db2.gz JINATXKAYNRDMI-ZJSXRUAMSA-N 0 0 535.670 3.939 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@@H]1CCCO1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000100290683 554283862 /nfs/dbraw/zinc/28/38/62/554283862.db2.gz CLGOZJVCTQPVJK-LSQMVHIFSA-N 0 0 573.481 3.691 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@H]1CCCO1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000100290687 554283866 /nfs/dbraw/zinc/28/38/66/554283866.db2.gz CLGOZJVCTQPVJK-ARNLJNQMSA-N 0 0 573.481 3.691 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000100290689 554283991 /nfs/dbraw/zinc/28/39/91/554283991.db2.gz CLGOZJVCTQPVJK-SONWIMMPSA-N 0 0 573.481 3.691 40 0 KHABRN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N(C[C@H]1CCCO1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000100290692 554283969 /nfs/dbraw/zinc/28/39/69/554283969.db2.gz CLGOZJVCTQPVJK-JBRSBNLGSA-N 0 0 573.481 3.691 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000100290796 554283907 /nfs/dbraw/zinc/28/39/07/554283907.db2.gz ZBCDHEGHZSXJPQ-NVQXNPDNSA-N 0 0 550.566 3.585 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000100290801 554283841 /nfs/dbraw/zinc/28/38/41/554283841.db2.gz ZBCDHEGHZSXJPQ-BKMJKUGQSA-N 0 0 550.566 3.585 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000100290804 554283847 /nfs/dbraw/zinc/28/38/47/554283847.db2.gz ZBCDHEGHZSXJPQ-GJZUVCINSA-N 0 0 550.566 3.585 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000100290807 554284202 /nfs/dbraw/zinc/28/42/02/554284202.db2.gz ZBCDHEGHZSXJPQ-ATIYNZHBSA-N 0 0 550.566 3.585 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C)cc3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(F)cc3)n2)o1 ZINC000100290824 554284336 /nfs/dbraw/zinc/28/43/36/554284336.db2.gz BGBZYMGJOPCDLY-OZXSUGGESA-N 0 0 532.576 3.759 40 0 KHABRN COc1ccc(C)cc1N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(C)o1 ZINC000100290922 554284194 /nfs/dbraw/zinc/28/41/94/554284194.db2.gz LSLRIMZCVIELOT-AMGIVPHBSA-N 0 0 562.602 3.767 40 0 KHABRN Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3F)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000100290929 554284255 /nfs/dbraw/zinc/28/42/55/554284255.db2.gz PUULSQBPXFGNHO-YADARESESA-N 0 0 538.605 3.507 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N ZINC000100290943 554284271 /nfs/dbraw/zinc/28/42/71/554284271.db2.gz ZMLFZVODRMTIPL-KSSFIOAISA-N 0 0 553.588 3.588 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)c1N ZINC000100290947 554284235 /nfs/dbraw/zinc/28/42/35/554284235.db2.gz ZMLFZVODRMTIPL-KBXCAEBGSA-N 0 0 553.588 3.588 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N ZINC000100290951 554284185 /nfs/dbraw/zinc/28/41/85/554284185.db2.gz ZMLFZVODRMTIPL-KDOFPFPSSA-N 0 0 553.588 3.588 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)c1N ZINC000100290953 554284355 /nfs/dbraw/zinc/28/43/55/554284355.db2.gz ZMLFZVODRMTIPL-RDTXWAMCSA-N 0 0 553.588 3.588 40 0 KHABRN O=C1NCc2ccc(cc2)CNC(=O)c2cccc(c2)C(=O)NCc2ccc(cc2)CNC(=O)c2cccc1c2 ZINC000100291597 554284278 /nfs/dbraw/zinc/28/42/78/554284278.db2.gz NHSVXRFYBPEPIC-UHFFFAOYSA-N 0 0 532.600 3.720 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000100292859 554284822 /nfs/dbraw/zinc/28/48/22/554284822.db2.gz RLCSPQZESIFIHI-HKBQPEDESA-N 0 0 616.744 3.676 40 0 KHABRN O=C(Cn1nnc2ccccc21)N(c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 ZINC000100292861 554284878 /nfs/dbraw/zinc/28/48/78/554284878.db2.gz RLCSPQZESIFIHI-WJOKGBTCSA-N 0 0 616.744 3.676 40 0 KHABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2cccc(C)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293104 554285048 /nfs/dbraw/zinc/28/50/48/554285048.db2.gz VVAMGEFDOLETFN-YZNIXAGQSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2cccc(C)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293108 554285117 /nfs/dbraw/zinc/28/51/17/554285117.db2.gz VVAMGEFDOLETFN-FREGXXQWSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2cccc(C)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293112 554285120 /nfs/dbraw/zinc/28/51/20/554285120.db2.gz VVAMGEFDOLETFN-VIZCGCQYSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2cccc(C)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293116 554285168 /nfs/dbraw/zinc/28/51/68/554285168.db2.gz VVAMGEFDOLETFN-PDDLMNHVSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293252 554285407 /nfs/dbraw/zinc/28/54/07/554285407.db2.gz ZDDBUQYMYJKSDE-YZNIXAGQSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293254 554285401 /nfs/dbraw/zinc/28/54/01/554285401.db2.gz ZDDBUQYMYJKSDE-FREGXXQWSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293258 554285509 /nfs/dbraw/zinc/28/55/09/554285509.db2.gz ZDDBUQYMYJKSDE-VIZCGCQYSA-N 0 0 569.662 3.634 40 0 KHABRN COC(=O)c1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100293261 554285433 /nfs/dbraw/zinc/28/54/33/554285433.db2.gz ZDDBUQYMYJKSDE-PDDLMNHVSA-N 0 0 569.662 3.634 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000100293620 554285464 /nfs/dbraw/zinc/28/54/64/554285464.db2.gz WAEKCQNPENDIOY-VQEKVZNXSA-N 0 0 529.556 3.868 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000100293627 554285422 /nfs/dbraw/zinc/28/54/22/554285422.db2.gz WAEKCQNPENDIOY-ILCOBUQLSA-N 0 0 529.556 3.868 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000100293631 554285396 /nfs/dbraw/zinc/28/53/96/554285396.db2.gz WAEKCQNPENDIOY-WAJZLAGVSA-N 0 0 529.556 3.868 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000100293635 554285452 /nfs/dbraw/zinc/28/54/52/554285452.db2.gz WAEKCQNPENDIOY-NFZBDTMGSA-N 0 0 529.556 3.868 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000100293684 554285602 /nfs/dbraw/zinc/28/56/02/554285602.db2.gz JJCDCZFDIZCROE-DCDFMGFMSA-N 0 0 537.638 3.592 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000100293688 554285763 /nfs/dbraw/zinc/28/57/63/554285763.db2.gz JJCDCZFDIZCROE-CCXGIQIYSA-N 0 0 537.638 3.592 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000100293692 554285745 /nfs/dbraw/zinc/28/57/45/554285745.db2.gz JJCDCZFDIZCROE-OBICXDTRSA-N 0 0 537.638 3.592 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(C(=O)C[S@](=O)CC(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000100293696 554285689 /nfs/dbraw/zinc/28/56/89/554285689.db2.gz JJCDCZFDIZCROE-ITUROAMUSA-N 0 0 537.638 3.592 40 0 KHABRN O=C(CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000100293954 554285950 /nfs/dbraw/zinc/28/59/50/554285950.db2.gz ZUPCMOQVBNNJEO-PSXMRANNSA-N 0 0 527.540 3.624 40 0 KHABRN O=C(CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1cccc(C(F)(F)F)c1)NC1CCCC1 ZINC000100293962 554286028 /nfs/dbraw/zinc/28/60/28/554286028.db2.gz ZUPCMOQVBNNJEO-BHVANESWSA-N 0 0 527.540 3.624 40 0 KHABRN 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554292519 /nfs/dbraw/zinc/29/25/19/554292519.db2.gz CPFMTIHGFMMCJP-VPVLBGOXSA-N 0 0 615.502 3.892 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC(C)C ZINC000100304041 554292561 /nfs/dbraw/zinc/29/25/61/554292561.db2.gz CPFMTIHGFMMCJP-UTWPHBJQSA-N 0 0 615.502 3.892 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100304064 554292451 /nfs/dbraw/zinc/29/24/51/554292451.db2.gz QMTKUUQIYGXSFA-WTDOPDLHSA-N 0 0 556.640 3.961 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100304067 554292566 /nfs/dbraw/zinc/29/25/66/554292566.db2.gz QMTKUUQIYGXSFA-OLIAQGHGSA-N 0 0 556.640 3.961 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000100304182 554292538 /nfs/dbraw/zinc/29/25/38/554292538.db2.gz IZVDMOAHXRITKV-WALVNQSHSA-N 0 0 559.669 3.877 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000100304187 554292553 /nfs/dbraw/zinc/29/25/53/554292553.db2.gz IZVDMOAHXRITKV-CINCIDGWSA-N 0 0 559.669 3.877 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000100304385 554292746 /nfs/dbraw/zinc/29/27/46/554292746.db2.gz FFCZTBAARLIOCT-FJWZAKCXSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000100304389 554292764 /nfs/dbraw/zinc/29/27/64/554292764.db2.gz FFCZTBAARLIOCT-RQLGBQGVSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)COc1ccc([C@@H]2C(C(=O)OCC)=C(C)N[C@H]3SC(=Cc4ccc5c(c4)OCCO5)C(=O)N32)cc1OC ZINC000100304672 554293090 /nfs/dbraw/zinc/29/30/90/554293090.db2.gz PGBLDFXKQMGZQD-IAWWRDIBSA-N 0 0 596.658 3.790 40 0 KHABRN CCOC(=O)COc1ccc([C@H]2C(C(=O)OCC)=C(C)N[C@H]3SC(=Cc4ccc5c(c4)OCCO5)C(=O)N32)cc1OC ZINC000100304676 554293139 /nfs/dbraw/zinc/29/31/39/554293139.db2.gz PGBLDFXKQMGZQD-VWTCLTSVSA-N 0 0 596.658 3.790 40 0 KHABRN CCOC(=O)COc1ccc([C@@H]2C(C(=O)OCC)=C(C)N[C@@H]3SC(=Cc4ccc5c(c4)OCCO5)C(=O)N32)cc1OC ZINC000100304680 554293119 /nfs/dbraw/zinc/29/31/19/554293119.db2.gz PGBLDFXKQMGZQD-XOELABMDSA-N 0 0 596.658 3.790 40 0 KHABRN CCOC(=O)COc1ccc([C@H]2C(C(=O)OCC)=C(C)N[C@@H]3SC(=Cc4ccc5c(c4)OCCO5)C(=O)N32)cc1OC ZINC000100304685 554293132 /nfs/dbraw/zinc/29/31/32/554293132.db2.gz PGBLDFXKQMGZQD-PFAZIKJYSA-N 0 0 596.658 3.790 40 0 KHABRN CCOC(=O)COc1ccc([C@@H]2C(C(=O)OCC)=C(C)N[C@H]3SC(=Cc4ccc5c(c4)OCO5)C(=O)N32)cc1OC ZINC000100305044 554293310 /nfs/dbraw/zinc/29/33/10/554293310.db2.gz XKCBZWPJVIJMKF-BUMDZLNUSA-N 0 0 582.631 3.747 40 0 KHABRN CCOC(=O)COc1ccc([C@H]2C(C(=O)OCC)=C(C)N[C@H]3SC(=Cc4ccc5c(c4)OCO5)C(=O)N32)cc1OC ZINC000100305049 554293320 /nfs/dbraw/zinc/29/33/20/554293320.db2.gz XKCBZWPJVIJMKF-IQEFYTJZSA-N 0 0 582.631 3.747 40 0 KHABRN CCOC(=O)COc1ccc([C@@H]2C(C(=O)OCC)=C(C)N[C@@H]3SC(=Cc4ccc5c(c4)OCO5)C(=O)N32)cc1OC ZINC000100305053 554293318 /nfs/dbraw/zinc/29/33/18/554293318.db2.gz XKCBZWPJVIJMKF-LSCAXJGFSA-N 0 0 582.631 3.747 40 0 KHABRN CCOC(=O)COc1ccc([C@H]2C(C(=O)OCC)=C(C)N[C@@H]3SC(=Cc4ccc5c(c4)OCO5)C(=O)N32)cc1OC ZINC000100305058 554293315 /nfs/dbraw/zinc/29/33/15/554293315.db2.gz XKCBZWPJVIJMKF-MZWXPVBUSA-N 0 0 582.631 3.747 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100305137 554293287 /nfs/dbraw/zinc/29/32/87/554293287.db2.gz NVHCGJYYIFFKON-GWXSLXSZSA-N 0 0 570.623 3.682 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100305142 554293296 /nfs/dbraw/zinc/29/32/96/554293296.db2.gz NVHCGJYYIFFKON-FOOGSPQISA-N 0 0 570.623 3.682 40 0 KHABRN O=C(NC(=S)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(=S)NC(=O)c3ccco3)ccc1-2)c1ccco1 ZINC000100305664 554293633 /nfs/dbraw/zinc/29/36/33/554293633.db2.gz LOBQLUSUWQPYFP-UHFFFAOYSA-N 0 0 552.615 3.939 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OC(C)=O)c(=O)n32)cc1OCC ZINC000100306099 554294406 /nfs/dbraw/zinc/29/44/06/554294406.db2.gz AIQOREMLUHMIJZ-CBYYHRJHSA-N 0 0 615.502 3.893 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4cc(Br)ccc4OC(C)=O)c(=O)n32)cc1OCC ZINC000100306103 554294407 /nfs/dbraw/zinc/29/44/07/554294407.db2.gz AIQOREMLUHMIJZ-PNZYDNNZSA-N 0 0 615.502 3.893 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100306414 554294923 /nfs/dbraw/zinc/29/49/23/554294923.db2.gz GENPOTOBTTXZJG-CVMWMZFYSA-N 0 0 542.613 3.658 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100306418 554294892 /nfs/dbraw/zinc/29/48/92/554294892.db2.gz GENPOTOBTTXZJG-QAHUDSGCSA-N 0 0 542.613 3.658 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cccs1 ZINC000100306968 554295101 /nfs/dbraw/zinc/29/51/01/554295101.db2.gz KVZGZTGPRGHDQC-UQTDQPHJSA-N 0 0 530.627 3.768 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cccs1 ZINC000100306971 554295449 /nfs/dbraw/zinc/29/54/49/554295449.db2.gz KVZGZTGPRGHDQC-YHHBSCGTSA-N 0 0 530.627 3.768 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC(C)C ZINC000100307027 554295452 /nfs/dbraw/zinc/29/54/52/554295452.db2.gz MXLSKLJWCQOSRC-IZBTWGKQSA-N 0 0 585.476 3.883 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC(C)C ZINC000100307032 554295457 /nfs/dbraw/zinc/29/54/57/554295457.db2.gz MXLSKLJWCQOSRC-DKOMQPSQSA-N 0 0 585.476 3.883 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100307093 554295533 /nfs/dbraw/zinc/29/55/33/554295533.db2.gz SFRAVVGPIREZCO-OCEWKHMESA-N 0 0 574.611 3.628 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100307096 554295555 /nfs/dbraw/zinc/29/55/55/554295555.db2.gz SFRAVVGPIREZCO-MKWGYRPRSA-N 0 0 574.611 3.628 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000100307109 554295576 /nfs/dbraw/zinc/29/55/76/554295576.db2.gz UJSYMKCEAZQHFK-GKKFRVOYSA-N 0 0 586.666 3.970 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000100307112 554295581 /nfs/dbraw/zinc/29/55/81/554295581.db2.gz UJSYMKCEAZQHFK-DBLMTGOPSA-N 0 0 586.666 3.970 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000100307327 554295731 /nfs/dbraw/zinc/29/57/31/554295731.db2.gz ARXRYVZWBDDQOX-DBLMTGOPSA-N 0 0 571.630 3.955 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000100307329 554295795 /nfs/dbraw/zinc/29/57/95/554295795.db2.gz ARXRYVZWBDDQOX-GKKFRVOYSA-N 0 0 571.630 3.955 40 0 KHABRN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100307476 554295739 /nfs/dbraw/zinc/29/57/39/554295739.db2.gz CEEYFBVAEVUUBI-HKBQPEDESA-N 0 0 632.791 3.871 40 0 KHABRN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100307483 554295855 /nfs/dbraw/zinc/29/58/55/554295855.db2.gz CEEYFBVAEVUUBI-WJOKGBTCSA-N 0 0 632.791 3.871 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000100307562 554296091 /nfs/dbraw/zinc/29/60/91/554296091.db2.gz RRWICSAOEFNTFJ-RKVROBFMSA-N 0 0 585.682 3.764 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000100307569 554296197 /nfs/dbraw/zinc/29/61/97/554296197.db2.gz RRWICSAOEFNTFJ-XMYFTLFESA-N 0 0 585.682 3.764 40 0 KHABRN Cn1cccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100307600 554296172 /nfs/dbraw/zinc/29/61/72/554296172.db2.gz VEZCTDXRGNQNQT-PMERELPUSA-N 0 0 603.749 3.778 40 0 KHABRN Cn1cccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1nnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000100307608 554296125 /nfs/dbraw/zinc/29/61/25/554296125.db2.gz VEZCTDXRGNQNQT-SSEXGKCCSA-N 0 0 603.749 3.778 40 0 KHABRN Cc1cccc(C)c1NC(=O)CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100308049 554296356 /nfs/dbraw/zinc/29/63/56/554296356.db2.gz PQGRTNUYTXELKD-HSZRJFAPSA-N 0 0 563.742 3.677 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000100308125 554296319 /nfs/dbraw/zinc/29/63/19/554296319.db2.gz KNTVTFKUVWXTAH-NLMYKXADSA-N 0 0 628.703 3.895 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000100308130 554296373 /nfs/dbraw/zinc/29/63/73/554296373.db2.gz KNTVTFKUVWXTAH-KKGHXWGNSA-N 0 0 628.703 3.895 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000100308136 554296382 /nfs/dbraw/zinc/29/63/82/554296382.db2.gz GCDXZYULVZHNLC-VWLOTQADSA-N 0 0 605.673 3.563 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000100308142 554296636 /nfs/dbraw/zinc/29/66/36/554296636.db2.gz GCDXZYULVZHNLC-RUZDIDTESA-N 0 0 605.673 3.563 40 0 KHABRN COc1cc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc(OC)c1OC ZINC000100308148 554296723 /nfs/dbraw/zinc/29/67/23/554296723.db2.gz OVLPSSSHIVMVDZ-VWLOTQADSA-N 0 0 589.674 3.863 40 0 KHABRN COc1cc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc(OC)c1OC ZINC000100308152 554296667 /nfs/dbraw/zinc/29/66/67/554296667.db2.gz OVLPSSSHIVMVDZ-RUZDIDTESA-N 0 0 589.674 3.863 40 0 KHABRN COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)c1OC ZINC000100308211 554296662 /nfs/dbraw/zinc/29/66/62/554296662.db2.gz ZNSUTAKVOAGGMG-QHCPKHFHSA-N 0 0 551.669 3.674 40 0 KHABRN COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)c1OC ZINC000100308215 554296735 /nfs/dbraw/zinc/29/67/35/554296735.db2.gz ZNSUTAKVOAGGMG-HSZRJFAPSA-N 0 0 551.669 3.674 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)c1 ZINC000100308257 554296684 /nfs/dbraw/zinc/29/66/84/554296684.db2.gz NEUZVHWRXLWSKR-DEOSSOPVSA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)c1 ZINC000100308260 554296699 /nfs/dbraw/zinc/29/66/99/554296699.db2.gz NEUZVHWRXLWSKR-XMMPIXPASA-N 0 0 551.669 3.987 40 0 KHABRN COc1cc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc(OC)c1OC ZINC000100308330 554297004 /nfs/dbraw/zinc/29/70/04/554297004.db2.gz ZTCJFPBVDIFOHE-DEOSSOPVSA-N 0 0 581.695 3.995 40 0 KHABRN COc1cc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc(OC)c1OC ZINC000100308333 554297017 /nfs/dbraw/zinc/29/70/17/554297017.db2.gz ZTCJFPBVDIFOHE-XMMPIXPASA-N 0 0 581.695 3.995 40 0 KHABRN COc1cc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc(OC)c1OC ZINC000100308386 554297001 /nfs/dbraw/zinc/29/70/01/554297001.db2.gz KWRZEWZAJRLNLH-VWLOTQADSA-N 0 0 589.674 3.863 40 0 KHABRN COc1cc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc(OC)c1OC ZINC000100308393 554296982 /nfs/dbraw/zinc/29/69/82/554296982.db2.gz KWRZEWZAJRLNLH-RUZDIDTESA-N 0 0 589.674 3.863 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000100308430 554297032 /nfs/dbraw/zinc/29/70/32/554297032.db2.gz QXNPZCYKEHCOFM-SANMLTNESA-N 0 0 619.700 3.872 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000100308435 554297022 /nfs/dbraw/zinc/29/70/22/554297022.db2.gz QXNPZCYKEHCOFM-AREMUKBSSA-N 0 0 619.700 3.872 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000100308474 554297289 /nfs/dbraw/zinc/29/72/89/554297289.db2.gz OZHGGYMEZXDRKS-VWLOTQADSA-N 0 0 559.648 3.854 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000100308477 554297265 /nfs/dbraw/zinc/29/72/65/554297265.db2.gz OZHGGYMEZXDRKS-RUZDIDTESA-N 0 0 559.648 3.854 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000100308482 554297232 /nfs/dbraw/zinc/29/72/32/554297232.db2.gz CVUJMRJTWFWDGH-DEOSSOPVSA-N 0 0 545.621 3.546 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000100308485 554297241 /nfs/dbraw/zinc/29/72/41/554297241.db2.gz CVUJMRJTWFWDGH-XMMPIXPASA-N 0 0 545.621 3.546 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000100308506 554297222 /nfs/dbraw/zinc/29/72/22/554297222.db2.gz IZWZKQYWQIGNOZ-DEOSSOPVSA-N 0 0 563.611 3.685 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000100308510 554297275 /nfs/dbraw/zinc/29/72/75/554297275.db2.gz IZWZKQYWQIGNOZ-XMMPIXPASA-N 0 0 563.611 3.685 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(OC)c(OC)c2)c1 ZINC000100308520 554297250 /nfs/dbraw/zinc/29/72/50/554297250.db2.gz AVSRAYJCSMFTNI-VWLOTQADSA-N 0 0 575.647 3.555 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(OC)c(OC)c2)c1 ZINC000100308524 554297228 /nfs/dbraw/zinc/29/72/28/554297228.db2.gz AVSRAYJCSMFTNI-RUZDIDTESA-N 0 0 575.647 3.555 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100308531 554297294 /nfs/dbraw/zinc/29/72/94/554297294.db2.gz BKVIIEWRBHJEOV-VWLOTQADSA-N 0 0 559.648 3.542 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100308534 554297297 /nfs/dbraw/zinc/29/72/97/554297297.db2.gz BKVIIEWRBHJEOV-RUZDIDTESA-N 0 0 559.648 3.542 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100308666 554297598 /nfs/dbraw/zinc/29/75/98/554297598.db2.gz BXWFRYHYKBIDLF-QHCPKHFHSA-N 0 0 539.658 3.700 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100308669 554297607 /nfs/dbraw/zinc/29/76/07/554297607.db2.gz BXWFRYHYKBIDLF-HSZRJFAPSA-N 0 0 539.658 3.700 40 0 KHABRN COc1ccc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000100308674 554297553 /nfs/dbraw/zinc/29/75/53/554297553.db2.gz BWPHNAWPWLLEBL-QHCPKHFHSA-N 0 0 539.658 3.700 40 0 KHABRN COc1ccc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000100308678 554297600 /nfs/dbraw/zinc/29/76/00/554297600.db2.gz BWPHNAWPWLLEBL-HSZRJFAPSA-N 0 0 539.658 3.700 40 0 KHABRN COc1cc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc(OC)c1OC ZINC000100308753 554297596 /nfs/dbraw/zinc/29/75/96/554297596.db2.gz OOOHEKGKBACRDN-QHCPKHFHSA-N 0 0 569.684 3.709 40 0 KHABRN COc1cc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc(OC)c1OC ZINC000100308757 554297571 /nfs/dbraw/zinc/29/75/71/554297571.db2.gz OOOHEKGKBACRDN-HSZRJFAPSA-N 0 0 569.684 3.709 40 0 KHABRN COc1cc([C@@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc(OC)c1OC ZINC000100308762 554297569 /nfs/dbraw/zinc/29/75/69/554297569.db2.gz RYZFGTXQGFCJHX-QHCPKHFHSA-N 0 0 569.684 3.709 40 0 KHABRN COc1cc([C@H](C(=O)NCCC(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc(OC)c1OC ZINC000100308765 554297556 /nfs/dbraw/zinc/29/75/56/554297556.db2.gz RYZFGTXQGFCJHX-HSZRJFAPSA-N 0 0 569.684 3.709 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000100308921 554297921 /nfs/dbraw/zinc/29/79/21/554297921.db2.gz RPUNOEPPNGELGJ-QHCPKHFHSA-N 0 0 537.642 3.678 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2)cc1OC ZINC000100308928 554297875 /nfs/dbraw/zinc/29/78/75/554297875.db2.gz RPUNOEPPNGELGJ-HSZRJFAPSA-N 0 0 537.642 3.678 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000100308931 554297859 /nfs/dbraw/zinc/29/78/59/554297859.db2.gz VTUOLGOIZGCQKD-DEOSSOPVSA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000100308936 554297843 /nfs/dbraw/zinc/29/78/43/554297843.db2.gz VTUOLGOIZGCQKD-XMMPIXPASA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100308941 554297916 /nfs/dbraw/zinc/29/79/16/554297916.db2.gz ARNWYCVLESQVAT-DEOSSOPVSA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100308946 554297924 /nfs/dbraw/zinc/29/79/24/554297924.db2.gz ARNWYCVLESQVAT-XMMPIXPASA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000100308948 554297888 /nfs/dbraw/zinc/29/78/88/554297888.db2.gz LIDHDEQUJMUZLN-DEOSSOPVSA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000100308952 554297891 /nfs/dbraw/zinc/29/78/91/554297891.db2.gz LIDHDEQUJMUZLN-XMMPIXPASA-N 0 0 551.669 3.987 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC ZINC000100309004 554297829 /nfs/dbraw/zinc/29/78/29/554297829.db2.gz HIOATAOHUFRISO-DEOSSOPVSA-N 0 0 567.668 3.687 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2OC)cc1OC ZINC000100309008 554297925 /nfs/dbraw/zinc/29/79/25/554297925.db2.gz HIOATAOHUFRISO-XMMPIXPASA-N 0 0 567.668 3.687 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000100309013 554297867 /nfs/dbraw/zinc/29/78/67/554297867.db2.gz JPUSLSXWBCXHGP-DEOSSOPVSA-N 0 0 567.668 3.687 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)c(OC)c2)c1 ZINC000100309017 554298225 /nfs/dbraw/zinc/29/82/25/554298225.db2.gz JPUSLSXWBCXHGP-XMMPIXPASA-N 0 0 567.668 3.687 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC ZINC000100309024 554298223 /nfs/dbraw/zinc/29/82/23/554298223.db2.gz GUMJLZCARKHFHI-QHCPKHFHSA-N 0 0 555.632 3.818 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC ZINC000100309029 554298215 /nfs/dbraw/zinc/29/82/15/554298215.db2.gz GUMJLZCARKHFHI-HSZRJFAPSA-N 0 0 555.632 3.818 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC ZINC000100309036 554298173 /nfs/dbraw/zinc/29/81/73/554298173.db2.gz BRHSGGQTMSWSHZ-QHCPKHFHSA-N 0 0 555.632 3.818 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC ZINC000100309040 554298189 /nfs/dbraw/zinc/29/81/89/554298189.db2.gz BRHSGGQTMSWSHZ-HSZRJFAPSA-N 0 0 555.632 3.818 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000100309045 554298204 /nfs/dbraw/zinc/29/82/04/554298204.db2.gz UIZCHGAQJMPJEB-QHCPKHFHSA-N 0 0 555.632 3.818 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1OC ZINC000100309051 554298253 /nfs/dbraw/zinc/29/82/53/554298253.db2.gz UIZCHGAQJMPJEB-HSZRJFAPSA-N 0 0 555.632 3.818 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309062 554298202 /nfs/dbraw/zinc/29/82/02/554298202.db2.gz PKAUUACGNGAYRV-QFIPXVFZSA-N 0 0 557.698 3.736 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309067 554298248 /nfs/dbraw/zinc/29/82/48/554298248.db2.gz PKAUUACGNGAYRV-JOCHJYFZSA-N 0 0 557.698 3.736 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309072 554298230 /nfs/dbraw/zinc/29/82/30/554298230.db2.gz WNUBGLOGMDDMJI-DEOSSOPVSA-N 0 0 551.669 3.674 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309076 554298231 /nfs/dbraw/zinc/29/82/31/554298231.db2.gz WNUBGLOGMDDMJI-XMMPIXPASA-N 0 0 551.669 3.674 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309093 554298210 /nfs/dbraw/zinc/29/82/10/554298210.db2.gz HIIJQWUEBIANBX-DEOSSOPVSA-N 0 0 569.659 3.813 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309094 554298239 /nfs/dbraw/zinc/29/82/39/554298239.db2.gz HIIJQWUEBIANBX-XMMPIXPASA-N 0 0 569.659 3.813 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309232 554298243 /nfs/dbraw/zinc/29/82/43/554298243.db2.gz BDMIVQLLXARFIZ-VWLOTQADSA-N 0 0 559.648 3.854 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309237 554298233 /nfs/dbraw/zinc/29/82/33/554298233.db2.gz BDMIVQLLXARFIZ-RUZDIDTESA-N 0 0 559.648 3.854 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC ZINC000100309271 554298485 /nfs/dbraw/zinc/29/84/85/554298485.db2.gz BOFIBWSOUFWDLG-DEOSSOPVSA-N 0 0 563.611 3.685 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1OC ZINC000100309276 554298499 /nfs/dbraw/zinc/29/84/99/554298499.db2.gz BOFIBWSOUFWDLG-XMMPIXPASA-N 0 0 563.611 3.685 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC ZINC000100309280 554298474 /nfs/dbraw/zinc/29/84/74/554298474.db2.gz SDNKUXKHQCLMRE-DEOSSOPVSA-N 0 0 563.611 3.685 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1OC ZINC000100309284 554298470 /nfs/dbraw/zinc/29/84/70/554298470.db2.gz SDNKUXKHQCLMRE-XMMPIXPASA-N 0 0 563.611 3.685 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000100309410 554298493 /nfs/dbraw/zinc/29/84/93/554298493.db2.gz PLFUSJIAHCTSRN-QHCPKHFHSA-N 0 0 537.642 3.597 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1OC ZINC000100309415 554298439 /nfs/dbraw/zinc/29/84/39/554298439.db2.gz PLFUSJIAHCTSRN-HSZRJFAPSA-N 0 0 537.642 3.597 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309420 554298510 /nfs/dbraw/zinc/29/85/10/554298510.db2.gz IQWURCLIFWKLDZ-QHCPKHFHSA-N 0 0 537.642 3.597 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1OC ZINC000100309424 554298479 /nfs/dbraw/zinc/29/84/79/554298479.db2.gz IQWURCLIFWKLDZ-HSZRJFAPSA-N 0 0 537.642 3.597 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000100309427 554298495 /nfs/dbraw/zinc/29/84/95/554298495.db2.gz OAMJJANVEMJNPV-QHCPKHFHSA-N 0 0 537.642 3.597 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1OC ZINC000100309432 554298483 /nfs/dbraw/zinc/29/84/83/554298483.db2.gz OAMJJANVEMJNPV-HSZRJFAPSA-N 0 0 537.642 3.597 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1OC ZINC000100309436 554298487 /nfs/dbraw/zinc/29/84/87/554298487.db2.gz WVGVTUCRBYQGEE-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1OC ZINC000100309439 554298433 /nfs/dbraw/zinc/29/84/33/554298433.db2.gz WVGVTUCRBYQGEE-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1OC ZINC000100309444 554298795 /nfs/dbraw/zinc/29/87/95/554298795.db2.gz CTCKFNSLUXMPTH-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1OC ZINC000100309447 554298826 /nfs/dbraw/zinc/29/88/26/554298826.db2.gz CTCKFNSLUXMPTH-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100309451 554298824 /nfs/dbraw/zinc/29/88/24/554298824.db2.gz MOCKNNZOVNOXAN-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100309455 554298783 /nfs/dbraw/zinc/29/87/83/554298783.db2.gz MOCKNNZOVNOXAN-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309525 554298737 /nfs/dbraw/zinc/29/87/37/554298737.db2.gz HSDUWJIBOJBOIG-VWLOTQADSA-N 0 0 565.696 3.635 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309527 554298806 /nfs/dbraw/zinc/29/88/06/554298806.db2.gz HSDUWJIBOJBOIG-RUZDIDTESA-N 0 0 565.696 3.635 40 0 KHABRN COc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309528 554298754 /nfs/dbraw/zinc/29/87/54/554298754.db2.gz IAWMVWSYONOOMZ-VWLOTQADSA-N 0 0 565.696 3.635 40 0 KHABRN COc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2snc(C(N)=O)c2N)cc1OC ZINC000100309532 554298729 /nfs/dbraw/zinc/29/87/29/554298729.db2.gz IAWMVWSYONOOMZ-RUZDIDTESA-N 0 0 565.696 3.635 40 0 KHABRN COc1cc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000100309535 554298751 /nfs/dbraw/zinc/29/87/51/554298751.db2.gz RRMRWBMXANBYBA-DEOSSOPVSA-N 0 0 581.695 3.914 40 0 KHABRN COc1cc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000100309537 554298791 /nfs/dbraw/zinc/29/87/91/554298791.db2.gz RRMRWBMXANBYBA-XMMPIXPASA-N 0 0 581.695 3.914 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1OC ZINC000100310098 554299499 /nfs/dbraw/zinc/29/94/99/554299499.db2.gz XGOMEEUOSCXFEP-QFIPXVFZSA-N 0 0 539.658 3.761 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)cc1OC ZINC000100310102 554299485 /nfs/dbraw/zinc/29/94/85/554299485.db2.gz XGOMEEUOSCXFEP-JOCHJYFZSA-N 0 0 539.658 3.761 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100310105 554299534 /nfs/dbraw/zinc/29/95/34/554299534.db2.gz AAYJPSMWMNMVLH-QFIPXVFZSA-N 0 0 539.658 3.761 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc1OC ZINC000100310107 554299920 /nfs/dbraw/zinc/29/99/20/554299920.db2.gz AAYJPSMWMNMVLH-JOCHJYFZSA-N 0 0 539.658 3.761 40 0 KHABRN COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1OC ZINC000100310113 554299993 /nfs/dbraw/zinc/29/99/93/554299993.db2.gz SXNXVRJLKNUNOW-QFIPXVFZSA-N 0 0 539.658 3.761 40 0 KHABRN COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)cc1OC ZINC000100310115 554300033 /nfs/dbraw/zinc/30/00/33/554300033.db2.gz SXNXVRJLKNUNOW-JOCHJYFZSA-N 0 0 539.658 3.761 40 0 KHABRN COc1cc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000100310149 554300016 /nfs/dbraw/zinc/30/00/16/554300016.db2.gz NBGGBCHZZQUUTN-QFIPXVFZSA-N 0 0 569.684 3.770 40 0 KHABRN COc1cc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)cc(OC)c1OC ZINC000100310153 554299969 /nfs/dbraw/zinc/29/99/69/554299969.db2.gz NBGGBCHZZQUUTN-JOCHJYFZSA-N 0 0 569.684 3.770 40 0 KHABRN COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000100310223 554299943 /nfs/dbraw/zinc/29/99/43/554299943.db2.gz UCJIBAXWQQNBQW-QHCPKHFHSA-N 0 0 539.633 3.805 40 0 KHABRN COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 ZINC000100310225 554299909 /nfs/dbraw/zinc/29/99/09/554299909.db2.gz UCJIBAXWQQNBQW-HSZRJFAPSA-N 0 0 539.633 3.805 40 0 KHABRN COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000100310226 554299949 /nfs/dbraw/zinc/29/99/49/554299949.db2.gz KNVYFBUIGLPPTA-DEOSSOPVSA-N 0 0 547.612 3.672 40 0 KHABRN COc1cccc(CN(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)c1 ZINC000100310227 554299939 /nfs/dbraw/zinc/29/99/39/554299939.db2.gz KNVYFBUIGLPPTA-XMMPIXPASA-N 0 0 547.612 3.672 40 0 KHABRN COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000100310231 554299954 /nfs/dbraw/zinc/29/99/54/554299954.db2.gz FYWXJCURIWOYQY-QHCPKHFHSA-N 0 0 539.633 3.805 40 0 KHABRN COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000100310234 554299930 /nfs/dbraw/zinc/29/99/30/554299930.db2.gz FYWXJCURIWOYQY-HSZRJFAPSA-N 0 0 539.633 3.805 40 0 KHABRN COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000100310237 554299911 /nfs/dbraw/zinc/29/99/11/554299911.db2.gz PQZRTILTYRUFBW-DEOSSOPVSA-N 0 0 547.612 3.672 40 0 KHABRN COc1ccccc1CN(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 ZINC000100310241 554299934 /nfs/dbraw/zinc/29/99/34/554299934.db2.gz PQZRTILTYRUFBW-XMMPIXPASA-N 0 0 547.612 3.672 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)c1 ZINC000100314217 554302043 /nfs/dbraw/zinc/30/20/43/554302043.db2.gz CXDJKUQNCAXQFE-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2C)c1 ZINC000100314221 554301989 /nfs/dbraw/zinc/30/19/89/554301989.db2.gz CXDJKUQNCAXQFE-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)c1 ZINC000100314225 554302115 /nfs/dbraw/zinc/30/21/15/554302115.db2.gz MPLFTBBHLFWDNP-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)c(C)c2)c1 ZINC000100314229 554302065 /nfs/dbraw/zinc/30/20/65/554302065.db2.gz MPLFTBBHLFWDNP-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)c1 ZINC000100314233 554302020 /nfs/dbraw/zinc/30/20/20/554302020.db2.gz SOEQDLNILQUGBC-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)c1 ZINC000100314236 554302039 /nfs/dbraw/zinc/30/20/39/554302039.db2.gz SOEQDLNILQUGBC-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)c1 ZINC000100314238 554302143 /nfs/dbraw/zinc/30/21/43/554302143.db2.gz KDLHMECRSFMZSR-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)cc(C)c2)c1 ZINC000100314240 554302073 /nfs/dbraw/zinc/30/20/73/554302073.db2.gz KDLHMECRSFMZSR-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)c1 ZINC000100314248 554302418 /nfs/dbraw/zinc/30/24/18/554302418.db2.gz VSQWKOBEMBLQPT-DEOSSOPVSA-N 0 0 551.669 3.905 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)c1 ZINC000100314251 554302436 /nfs/dbraw/zinc/30/24/36/554302436.db2.gz VSQWKOBEMBLQPT-XMMPIXPASA-N 0 0 551.669 3.905 40 0 KHABRN O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(I)ccc1I ZINC000100317802 554303595 /nfs/dbraw/zinc/30/35/95/554303595.db2.gz ODYPCEAHGMPIEB-UHFFFAOYSA-N 0 0 548.162 3.980 40 0 KHABRN O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc(I)ccc1I ZINC000100318439 554303865 /nfs/dbraw/zinc/30/38/65/554303865.db2.gz VOUZDSXQSFNFLI-UHFFFAOYSA-N 0 0 607.255 3.855 40 0 KHABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc(I)ccc2I)cc1 ZINC000100320025 554304534 /nfs/dbraw/zinc/30/45/34/554304534.db2.gz CFBRNQQNDCIYJD-UHFFFAOYSA-N 0 0 565.174 3.981 40 0 KHABRN CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000100321494 554305858 /nfs/dbraw/zinc/30/58/58/554305858.db2.gz XTMADEBQHAIABY-UHFFFAOYSA-N 0 0 532.816 3.904 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100323499 554307156 /nfs/dbraw/zinc/30/71/56/554307156.db2.gz HJTMBENAMRJMPT-IADCTJSHSA-N 0 0 543.624 3.514 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C[C@@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100323505 554307186 /nfs/dbraw/zinc/30/71/86/554307186.db2.gz HJTMBENAMRJMPT-MUAVYFROSA-N 0 0 543.624 3.514 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccccc2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100323509 554307219 /nfs/dbraw/zinc/30/72/19/554307219.db2.gz HJTMBENAMRJMPT-BTYSJIOQSA-N 0 0 543.624 3.514 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccccc2)N(C[C@H]2CCCO2)C(=O)Cn2nnc3ccccc32)cc1OC ZINC000100323516 554307149 /nfs/dbraw/zinc/30/71/49/554307149.db2.gz HJTMBENAMRJMPT-RNWIMVQKSA-N 0 0 543.624 3.514 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(O)cc1 ZINC000100323827 554307528 /nfs/dbraw/zinc/30/75/28/554307528.db2.gz WPPUISDLIMHMGV-QHCPKHFHSA-N 0 0 533.585 3.682 40 0 KHABRN Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(O)cc1 ZINC000100323833 554307511 /nfs/dbraw/zinc/30/75/11/554307511.db2.gz WPPUISDLIMHMGV-HSZRJFAPSA-N 0 0 533.585 3.682 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1 ZINC000100323840 554307514 /nfs/dbraw/zinc/30/75/14/554307514.db2.gz ARWLNSPVLLBQQE-QHCPKHFHSA-N 0 0 533.585 3.682 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1 ZINC000100323845 554307547 /nfs/dbraw/zinc/30/75/47/554307547.db2.gz ARWLNSPVLLBQQE-HSZRJFAPSA-N 0 0 533.585 3.682 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)cc1 ZINC000100323849 554307597 /nfs/dbraw/zinc/30/75/97/554307597.db2.gz XVOHWNAHCWMGBM-QHCPKHFHSA-N 0 0 533.585 3.682 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)cc1 ZINC000100323854 554307589 /nfs/dbraw/zinc/30/75/89/554307589.db2.gz XVOHWNAHCWMGBM-HSZRJFAPSA-N 0 0 533.585 3.682 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1C ZINC000100323866 554307603 /nfs/dbraw/zinc/30/76/03/554307603.db2.gz KWRILFUYFYDFGN-DEOSSOPVSA-N 0 0 547.612 3.990 40 0 KHABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1C ZINC000100323870 554307829 /nfs/dbraw/zinc/30/78/29/554307829.db2.gz KWRILFUYFYDFGN-XMMPIXPASA-N 0 0 547.612 3.990 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c(C)c1 ZINC000100323875 554307879 /nfs/dbraw/zinc/30/78/79/554307879.db2.gz BRSALLBLAHXKRO-DEOSSOPVSA-N 0 0 547.612 3.990 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c(C)c1 ZINC000100323881 554307887 /nfs/dbraw/zinc/30/78/87/554307887.db2.gz BRSALLBLAHXKRO-XMMPIXPASA-N 0 0 547.612 3.990 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1 ZINC000100323887 554307892 /nfs/dbraw/zinc/30/78/92/554307892.db2.gz PUKWQBHUSTUDDN-DEOSSOPVSA-N 0 0 547.612 3.990 40 0 KHABRN Cc1ccc(C)c(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1 ZINC000100323892 554307789 /nfs/dbraw/zinc/30/77/89/554307789.db2.gz PUKWQBHUSTUDDN-XMMPIXPASA-N 0 0 547.612 3.990 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)cc1C ZINC000100323896 554307813 /nfs/dbraw/zinc/30/78/13/554307813.db2.gz DEJWSCVGMJQGDW-DEOSSOPVSA-N 0 0 547.612 3.990 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)cc1C ZINC000100323901 554307753 /nfs/dbraw/zinc/30/77/53/554307753.db2.gz DEJWSCVGMJQGDW-XMMPIXPASA-N 0 0 547.612 3.990 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000100323909 554307758 /nfs/dbraw/zinc/30/77/58/554307758.db2.gz WQZFXLHNVRIBJX-QFIPXVFZSA-N 0 0 537.548 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000100323912 554307824 /nfs/dbraw/zinc/30/78/24/554307824.db2.gz WQZFXLHNVRIBJX-JOCHJYFZSA-N 0 0 537.548 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000100323916 554307819 /nfs/dbraw/zinc/30/78/19/554307819.db2.gz NJETXSQTVGYQAN-JOCHJYFZSA-N 0 0 537.548 3.513 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c1N ZINC000100323922 554307778 /nfs/dbraw/zinc/30/77/78/554307778.db2.gz NJETXSQTVGYQAN-QFIPXVFZSA-N 0 0 537.548 3.513 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(O)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000100323953 554307762 /nfs/dbraw/zinc/30/77/62/554307762.db2.gz FWIBQTYBLGFZFL-DEOSSOPVSA-N 0 0 545.621 3.551 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(O)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000100323957 554307749 /nfs/dbraw/zinc/30/77/49/554307749.db2.gz FWIBQTYBLGFZFL-XMMPIXPASA-N 0 0 545.621 3.551 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324105 554308199 /nfs/dbraw/zinc/30/81/99/554308199.db2.gz YDWWGTKTSCONJG-QFIPXVFZSA-N 0 0 539.539 3.946 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324111 554308231 /nfs/dbraw/zinc/30/82/31/554308231.db2.gz YDWWGTKTSCONJG-JOCHJYFZSA-N 0 0 539.539 3.946 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324115 554308277 /nfs/dbraw/zinc/30/82/77/554308277.db2.gz YCGUAXROUQIZJA-JOCHJYFZSA-N 0 0 539.539 3.946 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc(F)cc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324118 554308128 /nfs/dbraw/zinc/30/81/28/554308128.db2.gz YCGUAXROUQIZJA-QFIPXVFZSA-N 0 0 539.539 3.946 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324138 554308184 /nfs/dbraw/zinc/30/81/84/554308184.db2.gz HCQITDFBKNRGNC-NRFANRHFSA-N 0 0 541.605 3.864 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2cccs2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324143 554308152 /nfs/dbraw/zinc/30/81/52/554308152.db2.gz HCQITDFBKNRGNC-OAQYLSRUSA-N 0 0 541.605 3.864 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324146 554308172 /nfs/dbraw/zinc/30/81/72/554308172.db2.gz OGCKBZXASXCHGQ-QHCPKHFHSA-N 0 0 535.576 3.803 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N ZINC000100324153 554308133 /nfs/dbraw/zinc/30/81/33/554308133.db2.gz OGCKBZXASXCHGQ-HSZRJFAPSA-N 0 0 535.576 3.803 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100324161 554308177 /nfs/dbraw/zinc/30/81/77/554308177.db2.gz DEKRVCRGDBEVBM-DEOSSOPVSA-N 0 0 547.612 3.985 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100324165 554308280 /nfs/dbraw/zinc/30/82/80/554308280.db2.gz DEKRVCRGDBEVBM-XMMPIXPASA-N 0 0 547.612 3.985 40 0 KHABRN COc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100324386 554308235 /nfs/dbraw/zinc/30/82/35/554308235.db2.gz AMENAKLCDAWUPU-DEOSSOPVSA-N 0 0 547.612 3.985 40 0 KHABRN COc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100324389 554308144 /nfs/dbraw/zinc/30/81/44/554308144.db2.gz AMENAKLCDAWUPU-XMMPIXPASA-N 0 0 547.612 3.985 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccc(F)cc2)c2ccc(C)o2)c1 ZINC000100324646 554308619 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/nfs/dbraw/zinc/30/85/88/554308588.db2.gz SDCBYQYZGYHTMR-QFIPXVFZSA-N 0 0 539.564 3.704 40 0 KHABRN Cc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000100324707 554308519 /nfs/dbraw/zinc/30/85/19/554308519.db2.gz SDCBYQYZGYHTMR-JOCHJYFZSA-N 0 0 539.564 3.704 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100324721 554308837 /nfs/dbraw/zinc/30/88/37/554308837.db2.gz SRKMSPDCXAAOEJ-QHCPKHFHSA-N 0 0 533.610 3.747 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1 ZINC000100324722 554308771 /nfs/dbraw/zinc/30/87/71/554308771.db2.gz SRKMSPDCXAAOEJ-HSZRJFAPSA-N 0 0 533.610 3.747 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000100324729 554308902 /nfs/dbraw/zinc/30/89/02/554308902.db2.gz TUAKAUUFUNDTSM-QHCPKHFHSA-N 0 0 533.610 3.747 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1 ZINC000100324733 554308885 /nfs/dbraw/zinc/30/88/85/554308885.db2.gz TUAKAUUFUNDTSM-HSZRJFAPSA-N 0 0 533.610 3.747 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000100324772 554308730 /nfs/dbraw/zinc/30/87/30/554308730.db2.gz RWRYEYQCWOUYBC-QFIPXVFZSA-N 0 0 537.573 3.578 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2F)cc1 ZINC000100324775 554308740 /nfs/dbraw/zinc/30/87/40/554308740.db2.gz RWRYEYQCWOUYBC-JOCHJYFZSA-N 0 0 537.573 3.578 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000100324783 554308867 /nfs/dbraw/zinc/30/88/67/554308867.db2.gz VOCKRSWJXKWLRK-QFIPXVFZSA-N 0 0 537.573 3.578 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(F)c2)cc1 ZINC000100324787 554308900 /nfs/dbraw/zinc/30/89/00/554308900.db2.gz VOCKRSWJXKWLRK-JOCHJYFZSA-N 0 0 537.573 3.578 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000100324791 554308723 /nfs/dbraw/zinc/30/87/23/554308723.db2.gz BHMAWUXCUFKXIA-QFIPXVFZSA-N 0 0 537.573 3.578 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccc(C)o2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(F)cc2)cc1 ZINC000100324794 554308756 /nfs/dbraw/zinc/30/87/56/554308756.db2.gz BHMAWUXCUFKXIA-JOCHJYFZSA-N 0 0 537.573 3.578 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@H](C(=O)NC2CCCCC2)c2c[nH]c3ccccc32)c1N ZINC000100325655 554309423 /nfs/dbraw/zinc/30/94/23/554309423.db2.gz NYDVTTZAHMAIOG-DEOSSOPVSA-N 0 0 560.636 3.871 40 0 KHABRN NC(=O)c1nsc(C(=O)N(c2ccc3c(c2)OCO3)[C@@H](C(=O)NC2CCCCC2)c2c[nH]c3ccccc32)c1N ZINC000100325659 554309877 /nfs/dbraw/zinc/30/98/77/554309877.db2.gz NYDVTTZAHMAIOG-XMMPIXPASA-N 0 0 560.636 3.871 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC(C)(C)C)c1c[nH]c2ccccc21 ZINC000100325743 554309855 /nfs/dbraw/zinc/30/98/55/554309855.db2.gz BOUIDPYTKNCCHZ-QFIPXVFZSA-N 0 0 534.642 3.925 40 0 KHABRN COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1c[nH]c2ccccc21 ZINC000100325749 554309813 /nfs/dbraw/zinc/30/98/13/554309813.db2.gz BOUIDPYTKNCCHZ-JOCHJYFZSA-N 0 0 534.642 3.925 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)cc1C ZINC000100325809 554309871 /nfs/dbraw/zinc/30/98/71/554309871.db2.gz MCRBXGHMBHVDSC-UUOWRZLLSA-N 0 0 546.653 3.606 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@@H]2CCCO2)c2c[nH]c3ccccc32)cc1C ZINC000100325815 554309779 /nfs/dbraw/zinc/30/97/79/554309779.db2.gz MCRBXGHMBHVDSC-MHECFPHRSA-N 0 0 546.653 3.606 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)cc1C ZINC000100325820 554309874 /nfs/dbraw/zinc/30/98/74/554309874.db2.gz MCRBXGHMBHVDSC-KOSHJBKYSA-N 0 0 546.653 3.606 40 0 KHABRN Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC[C@H]2CCCO2)c2c[nH]c3ccccc32)cc1C ZINC000100325826 554309762 /nfs/dbraw/zinc/30/97/62/554309762.db2.gz MCRBXGHMBHVDSC-HOYKHHGWSA-N 0 0 546.653 3.606 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C(=O)NC1CCCC1)c1c[nH]c2ccccc21 ZINC000100325890 554310010 /nfs/dbraw/zinc/31/00/10/554310010.db2.gz SZUACUMSRMPJDO-QHCPKHFHSA-N 0 0 532.626 3.761 40 0 KHABRN COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC1CCCC1)c1c[nH]c2ccccc21 ZINC000100325893 554310054 /nfs/dbraw/zinc/31/00/54/554310054.db2.gz SZUACUMSRMPJDO-HSZRJFAPSA-N 0 0 532.626 3.761 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1 ZINC000100325895 554310117 /nfs/dbraw/zinc/31/01/17/554310117.db2.gz KGODZIJJYQRBKN-QHCPKHFHSA-N 0 0 532.626 3.761 40 0 KHABRN COc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1 ZINC000100325897 554310109 /nfs/dbraw/zinc/31/01/09/554310109.db2.gz KGODZIJJYQRBKN-HSZRJFAPSA-N 0 0 532.626 3.761 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000100325921 554310062 /nfs/dbraw/zinc/31/00/62/554310062.db2.gz NFCIMQVSITXOJL-QHCPKHFHSA-N 0 0 534.617 3.887 40 0 KHABRN NC(=O)c1nsc(C(=O)N(Cc2ccccc2F)[C@@H](C(=O)NC2CCCC2)c2c[nH]c3ccccc32)c1N ZINC000100325924 554310050 /nfs/dbraw/zinc/31/00/50/554310050.db2.gz NFCIMQVSITXOJL-HSZRJFAPSA-N 0 0 534.617 3.887 40 0 KHABRN COc1ccc(CN([C@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OC ZINC000100328404 554310985 /nfs/dbraw/zinc/31/09/85/554310985.db2.gz MFILXZLBOLYRRX-KJWPAHLWSA-N 0 0 566.742 3.931 40 0 KHABRN COc1ccc(CN([C@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OC ZINC000100328407 554311018 /nfs/dbraw/zinc/31/10/18/554311018.db2.gz MFILXZLBOLYRRX-XTJBDQBJSA-N 0 0 566.742 3.931 40 0 KHABRN COc1ccc(CN([C@@H]2CCCC[C@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OC ZINC000100328412 554310940 /nfs/dbraw/zinc/31/09/40/554310940.db2.gz MFILXZLBOLYRRX-JLRUASKGSA-N 0 0 566.742 3.931 40 0 KHABRN COc1ccc(CN([C@@H]2CCCC[C@@H]2C)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OC ZINC000100328415 554310929 /nfs/dbraw/zinc/31/09/29/554310929.db2.gz MFILXZLBOLYRRX-UWDQQESISA-N 0 0 566.742 3.931 40 0 KHABRN COc1ccc(OC)c([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C2CCCC2)c1 ZINC000100329506 554311545 /nfs/dbraw/zinc/31/15/45/554311545.db2.gz ZVVABQZJEKCONC-RUZDIDTESA-N 0 0 538.624 3.924 40 0 KHABRN COc1ccc(OC)c([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C2CCCC2)c1 ZINC000100329507 554311474 /nfs/dbraw/zinc/31/14/74/554311474.db2.gz ZVVABQZJEKCONC-VWLOTQADSA-N 0 0 538.624 3.924 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000100329700 554311783 /nfs/dbraw/zinc/31/17/83/554311783.db2.gz CGBWATOVTFSRDG-MHZLTWQESA-N 0 0 543.603 3.712 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc(-c2ccccc2F)n1)[C@@H](C(=O)NC1CCCC1)c1ccncc1 ZINC000100329702 554311824 /nfs/dbraw/zinc/31/18/24/554311824.db2.gz CGBWATOVTFSRDG-HHHXNRCGSA-N 0 0 543.603 3.712 40 0 KHABRN Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000100329942 554312139 /nfs/dbraw/zinc/31/21/39/554312139.db2.gz IONRHHMWGOGPPE-NVQXNPDNSA-N 0 0 546.653 3.794 40 0 KHABRN Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000100329943 554312129 /nfs/dbraw/zinc/31/21/29/554312129.db2.gz IONRHHMWGOGPPE-BKMJKUGQSA-N 0 0 546.653 3.794 40 0 KHABRN Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000100329946 554312081 /nfs/dbraw/zinc/31/20/81/554312081.db2.gz IONRHHMWGOGPPE-GJZUVCINSA-N 0 0 546.653 3.794 40 0 KHABRN Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1 ZINC000100329949 554312126 /nfs/dbraw/zinc/31/21/26/554312126.db2.gz IONRHHMWGOGPPE-ATIYNZHBSA-N 0 0 546.653 3.794 40 0 KHABRN O=C(Cn1nnc(-c2cccs2)n1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1 ZINC000100329954 554312141 /nfs/dbraw/zinc/31/21/41/554312141.db2.gz FFBJGYQDYAKBQU-URXFXBBRSA-N 0 0 553.044 3.830 40 0 KHABRN O=C(Cn1nnc(-c2cccs2)n1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(O)cc1 ZINC000100329956 554312089 /nfs/dbraw/zinc/31/20/89/554312089.db2.gz FFBJGYQDYAKBQU-XUZZJYLKSA-N 0 0 553.044 3.830 40 0 KHABRN O=C(Cn1nnc(-c2cccs2)n1)N(c1ccc(Cl)cc1)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1 ZINC000100329961 554312120 /nfs/dbraw/zinc/31/21/20/554312120.db2.gz FFBJGYQDYAKBQU-QPPBQGQZSA-N 0 0 553.044 3.830 40 0 KHABRN O=C(Cn1nnc(-c2cccs2)n1)N(c1ccc(Cl)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(O)cc1 ZINC000100329963 554312151 /nfs/dbraw/zinc/31/21/51/554312151.db2.gz FFBJGYQDYAKBQU-ZJSXRUAMSA-N 0 0 553.044 3.830 40 0 KHABRN COc1ccc(CNC(=O)[C@H](c2ccco2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1 ZINC000100330671 554313129 /nfs/dbraw/zinc/31/31/29/554313129.db2.gz LMCNXPQQLUFDMF-QHCPKHFHSA-N 0 0 533.610 3.747 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](c2ccco2)N(C(=O)c2snc(C(N)=O)c2N)c2cc(C)ccc2C)cc1 ZINC000100330673 554313147 /nfs/dbraw/zinc/31/31/47/554313147.db2.gz LMCNXPQQLUFDMF-HSZRJFAPSA-N 0 0 533.610 3.747 40 0 KHABRN COc1cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccn2C)ccc1-n1cnnn1 ZINC000100334218 554316639 /nfs/dbraw/zinc/31/66/39/554316639.db2.gz WPAZXJBFXQNMAF-SANMLTNESA-N 0 0 533.658 3.837 40 0 KHABRN COc1cc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccn2C)ccc1-n1cnnn1 ZINC000100334222 554316631 /nfs/dbraw/zinc/31/66/31/554316631.db2.gz WPAZXJBFXQNMAF-AREMUKBSSA-N 0 0 533.658 3.837 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc(OC)c1OC ZINC000100334996 554317194 /nfs/dbraw/zinc/31/71/94/554317194.db2.gz RYUDZMJFAQXONT-CHJDUVSTSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc(OC)c1OC ZINC000100335000 554317111 /nfs/dbraw/zinc/31/71/11/554317111.db2.gz RYUDZMJFAQXONT-SMSORMJASA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc(OC)c1OC ZINC000100335003 554317128 /nfs/dbraw/zinc/31/71/28/554317128.db2.gz RYUDZMJFAQXONT-RCRUUEGKSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2C(C)=O)cc(OC)c1OC ZINC000100335007 554317150 /nfs/dbraw/zinc/31/71/50/554317150.db2.gz RYUDZMJFAQXONT-YKGWIAGDSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000100335013 554317190 /nfs/dbraw/zinc/31/71/90/554317190.db2.gz RRSNJWWJWQRDQT-NGQVCNFZSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000100335018 554317132 /nfs/dbraw/zinc/31/71/32/554317132.db2.gz RRSNJWWJWQRDQT-QABMSTFYSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000100335020 554317186 /nfs/dbraw/zinc/31/71/86/554317186.db2.gz RRSNJWWJWQRDQT-HLADLETHSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000100335026 554317146 /nfs/dbraw/zinc/31/71/46/554317146.db2.gz RRSNJWWJWQRDQT-AYWVHJORSA-N 0 0 601.660 3.729 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc(OC)c1OC ZINC000100335028 554317175 /nfs/dbraw/zinc/31/71/75/554317175.db2.gz KBISRRRNZLIHDG-DWACAAAGSA-N 0 0 577.613 3.666 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc(OC)c1OC ZINC000100335033 554317108 /nfs/dbraw/zinc/31/71/08/554317108.db2.gz KBISRRRNZLIHDG-RBISFHTESA-N 0 0 577.613 3.666 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc(OC)c1OC ZINC000100335038 554317443 /nfs/dbraw/zinc/31/74/43/554317443.db2.gz KBISRRRNZLIHDG-DFHRPNOPSA-N 0 0 577.613 3.666 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc(OC)c1OC ZINC000100335042 554317425 /nfs/dbraw/zinc/31/74/25/554317425.db2.gz KBISRRRNZLIHDG-SKCUWOTOSA-N 0 0 577.613 3.666 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335047 554317490 /nfs/dbraw/zinc/31/74/90/554317490.db2.gz NHNAUHBHGHVLFT-IADCTJSHSA-N 0 0 591.640 3.662 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335055 554317414 /nfs/dbraw/zinc/31/74/14/554317414.db2.gz NHNAUHBHGHVLFT-MUAVYFROSA-N 0 0 591.640 3.662 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335057 554317431 /nfs/dbraw/zinc/31/74/31/554317431.db2.gz NHNAUHBHGHVLFT-BTYSJIOQSA-N 0 0 591.640 3.662 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335063 554317453 /nfs/dbraw/zinc/31/74/53/554317453.db2.gz NHNAUHBHGHVLFT-RNWIMVQKSA-N 0 0 591.640 3.662 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335105 554317422 /nfs/dbraw/zinc/31/74/22/554317422.db2.gz ZNNMMANATMOFKC-DCFHFQCYSA-N 0 0 579.679 3.584 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335110 554317473 /nfs/dbraw/zinc/31/74/73/554317473.db2.gz ZNNMMANATMOFKC-CCLHPLFOSA-N 0 0 579.679 3.584 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335115 554317446 /nfs/dbraw/zinc/31/74/46/554317446.db2.gz ZNNMMANATMOFKC-HRFSGMKKSA-N 0 0 579.679 3.584 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335120 554317488 /nfs/dbraw/zinc/31/74/88/554317488.db2.gz ZNNMMANATMOFKC-NFQMXDRXSA-N 0 0 579.679 3.584 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335127 554317435 /nfs/dbraw/zinc/31/74/35/554317435.db2.gz JCCWRXIAORYPIR-NGQVCNFZSA-N 0 0 587.677 3.565 40 0 KHABRN COc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335132 554317482 /nfs/dbraw/zinc/31/74/82/554317482.db2.gz JCCWRXIAORYPIR-QABMSTFYSA-N 0 0 587.677 3.565 40 0 KHABRN COc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2)C(=O)Cn2nnc3ccccc32)cc(OC)c1OC ZINC000100335137 554317471 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/nfs/dbraw/zinc/31/84/38/554318438.db2.gz YXNZYOUFVVLSCT-NGOKVRLYSA-N 0 0 547.587 3.657 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccccc2F)c(OC)c1 ZINC000100335675 554318380 /nfs/dbraw/zinc/31/83/80/554318380.db2.gz YXNZYOUFVVLSCT-PIIWDFAUSA-N 0 0 547.587 3.657 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000100335678 554318406 /nfs/dbraw/zinc/31/84/06/554318406.db2.gz CAJZGLRCTXMWPP-DCFHFQCYSA-N 0 0 549.653 3.575 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000100335682 554318467 /nfs/dbraw/zinc/31/84/67/554318467.db2.gz CAJZGLRCTXMWPP-CCLHPLFOSA-N 0 0 549.653 3.575 40 0 KHABRN COc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000100335685 554318392 /nfs/dbraw/zinc/31/83/92/554318392.db2.gz CAJZGLRCTXMWPP-HRFSGMKKSA-N 0 0 549.653 3.575 40 0 KHABRN COc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)c(OC)c1 ZINC000100335689 554318420 /nfs/dbraw/zinc/31/84/20/554318420.db2.gz CAJZGLRCTXMWPP-NFQMXDRXSA-N 0 0 549.653 3.575 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335711 554318530 /nfs/dbraw/zinc/31/85/30/554318530.db2.gz OISLAWZMTPLIJP-IADCTJSHSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335715 554318387 /nfs/dbraw/zinc/31/83/87/554318387.db2.gz OISLAWZMTPLIJP-MUAVYFROSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335719 554318489 /nfs/dbraw/zinc/31/84/89/554318489.db2.gz OISLAWZMTPLIJP-BTYSJIOQSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335724 554318513 /nfs/dbraw/zinc/31/85/13/554318513.db2.gz OISLAWZMTPLIJP-RNWIMVQKSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335794 554318494 /nfs/dbraw/zinc/31/84/94/554318494.db2.gz WGQMPTPEYMJDLL-NGQVCNFZSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335797 554318474 /nfs/dbraw/zinc/31/84/74/554318474.db2.gz WGQMPTPEYMJDLL-QABMSTFYSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335801 554318369 /nfs/dbraw/zinc/31/83/69/554318369.db2.gz WGQMPTPEYMJDLL-HLADLETHSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(OC)c(OC)c2)cc1 ZINC000100335807 554318400 /nfs/dbraw/zinc/31/84/00/554318400.db2.gz WGQMPTPEYMJDLL-AYWVHJORSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000100335814 554318791 /nfs/dbraw/zinc/31/87/91/554318791.db2.gz VVXAHJSNMOYJBA-JHOBJCJYSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000100335817 554318752 /nfs/dbraw/zinc/31/87/52/554318752.db2.gz VVXAHJSNMOYJBA-YUDQIZAISA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000100335821 554318707 /nfs/dbraw/zinc/31/87/07/554318707.db2.gz VVXAHJSNMOYJBA-DJUQAAIZSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(OC)c(OC)c1 ZINC000100335829 554318807 /nfs/dbraw/zinc/31/88/07/554318807.db2.gz VVXAHJSNMOYJBA-WVXBCFDCSA-N 0 0 573.650 3.522 40 0 KHABRN Cc1ccsc1[C@H](C(=O)NC[C@H]1CCCO1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2 ZINC000100335944 554318731 /nfs/dbraw/zinc/31/87/31/554318731.db2.gz WUFJPKWJTRFIEB-KBMIEXCESA-N 0 0 533.610 3.600 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@@H]1CCCO1)c1sccc1C)OCO2 ZINC000100335948 554318713 /nfs/dbraw/zinc/31/87/13/554318713.db2.gz VQDYULPGHARSDC-PPHZAIPVSA-N 0 0 575.647 3.802 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@@H]1CCCO1)c1sccc1C)OCO2 ZINC000100335953 554318773 /nfs/dbraw/zinc/31/87/73/554318773.db2.gz VQDYULPGHARSDC-UZTOHYMASA-N 0 0 575.647 3.802 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@H]1CCCO1)c1sccc1C)OCO2 ZINC000100335958 554318795 /nfs/dbraw/zinc/31/87/95/554318795.db2.gz VQDYULPGHARSDC-WINIVTDRSA-N 0 0 575.647 3.802 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@H]1CCCO1)c1sccc1C)OCO2 ZINC000100335960 554318777 /nfs/dbraw/zinc/31/87/77/554318777.db2.gz VQDYULPGHARSDC-XHCCPWGMSA-N 0 0 575.647 3.802 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2sccc2C)cc1 ZINC000100336021 554319059 /nfs/dbraw/zinc/31/90/59/554319059.db2.gz OWFQYZXLPITJSU-NVQXNPDNSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2sccc2C)cc1 ZINC000100336024 554319041 /nfs/dbraw/zinc/31/90/41/554319041.db2.gz OWFQYZXLPITJSU-BKMJKUGQSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2sccc2C)cc1 ZINC000100336027 554319114 /nfs/dbraw/zinc/31/91/14/554319114.db2.gz OWFQYZXLPITJSU-GJZUVCINSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2sccc2C)cc1 ZINC000100336032 554319036 /nfs/dbraw/zinc/31/90/36/554319036.db2.gz OWFQYZXLPITJSU-ATIYNZHBSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1sccc1C ZINC000100336038 554319161 /nfs/dbraw/zinc/31/91/61/554319161.db2.gz ZUXVCNVXWWOHTG-LVXARBLLSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1sccc1C ZINC000100336041 554319047 /nfs/dbraw/zinc/31/90/47/554319047.db2.gz ZUXVCNVXWWOHTG-HFZDXXHNSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1sccc1C ZINC000100336047 554319033 /nfs/dbraw/zinc/31/90/33/554319033.db2.gz ZUXVCNVXWWOHTG-RLWLMLJZSA-N 0 0 533.654 3.875 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1sccc1C ZINC000100336050 554319109 /nfs/dbraw/zinc/31/91/09/554319109.db2.gz ZUXVCNVXWWOHTG-QFQXNSOFSA-N 0 0 533.654 3.875 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)ccc1O ZINC000100336147 554319071 /nfs/dbraw/zinc/31/90/71/554319071.db2.gz UEWOAQBBNTVGDF-BGOLNKOXSA-N 0 0 615.643 3.537 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)ccc1O ZINC000100336153 554319096 /nfs/dbraw/zinc/31/90/96/554319096.db2.gz UEWOAQBBNTVGDF-JCOAXYOVSA-N 0 0 615.643 3.537 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)ccc1O ZINC000100336157 554319076 /nfs/dbraw/zinc/31/90/76/554319076.db2.gz UEWOAQBBNTVGDF-UKPGIYTDSA-N 0 0 615.643 3.537 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2cc3c(cc2C(C)=O)OCO3)ccc1O ZINC000100336160 554319029 /nfs/dbraw/zinc/31/90/29/554319029.db2.gz UEWOAQBBNTVGDF-ROTAYESASA-N 0 0 615.643 3.537 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)ccc1O ZINC000100336188 554319146 /nfs/dbraw/zinc/31/91/46/554319146.db2.gz XEGCSRGTAVNGLM-DWACAAAGSA-N 0 0 547.587 3.744 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)ccc1O ZINC000100336193 554319119 /nfs/dbraw/zinc/31/91/19/554319119.db2.gz XEGCSRGTAVNGLM-RBISFHTESA-N 0 0 547.587 3.744 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)ccc1O ZINC000100336198 554319054 /nfs/dbraw/zinc/31/90/54/554319054.db2.gz XEGCSRGTAVNGLM-DFHRPNOPSA-N 0 0 547.587 3.744 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)ccc1O ZINC000100336201 554319024 /nfs/dbraw/zinc/31/90/24/554319024.db2.gz XEGCSRGTAVNGLM-SKCUWOTOSA-N 0 0 547.587 3.744 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336208 554319124 /nfs/dbraw/zinc/31/91/24/554319124.db2.gz KZGBJOHJZNKLGV-IADCTJSHSA-N 0 0 543.624 3.601 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336211 554319139 /nfs/dbraw/zinc/31/91/39/554319139.db2.gz KZGBJOHJZNKLGV-MUAVYFROSA-N 0 0 543.624 3.601 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336215 554319151 /nfs/dbraw/zinc/31/91/51/554319151.db2.gz KZGBJOHJZNKLGV-BTYSJIOQSA-N 0 0 543.624 3.601 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(Cc2ccccc2)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336221 554319389 /nfs/dbraw/zinc/31/93/89/554319389.db2.gz KZGBJOHJZNKLGV-RNWIMVQKSA-N 0 0 543.624 3.601 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336244 554319430 /nfs/dbraw/zinc/31/94/30/554319430.db2.gz BXXCXHMMLFFQCU-FKAPRUDGSA-N 0 0 571.678 3.952 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336248 554319319 /nfs/dbraw/zinc/31/93/19/554319319.db2.gz BXXCXHMMLFFQCU-VVFBEHOQSA-N 0 0 571.678 3.952 40 0 KHABRN CCOc1cc([C@@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336253 554319333 /nfs/dbraw/zinc/31/93/33/554319333.db2.gz BXXCXHMMLFFQCU-NJHZRGNWSA-N 0 0 571.678 3.952 40 0 KHABRN CCOc1cc([C@H](C(=O)NC[C@H]2CCCO2)N(CCc2ccccc2C)C(=O)Cn2nnc3ccccc32)ccc1O ZINC000100336259 554319460 /nfs/dbraw/zinc/31/94/60/554319460.db2.gz BXXCXHMMLFFQCU-OOWIMERYSA-N 0 0 571.678 3.952 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3n2C)cc1 ZINC000100336590 554319839 /nfs/dbraw/zinc/31/98/39/554319839.db2.gz LVBJYIKVTYPZPT-IADCTJSHSA-N 0 0 551.651 3.692 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2nc3ccccc3n2C)cc1 ZINC000100336594 554319867 /nfs/dbraw/zinc/31/98/67/554319867.db2.gz LVBJYIKVTYPZPT-MUAVYFROSA-N 0 0 551.651 3.692 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2nc3ccccc3n2C)cc1 ZINC000100336599 554319918 /nfs/dbraw/zinc/31/99/18/554319918.db2.gz LVBJYIKVTYPZPT-BTYSJIOQSA-N 0 0 551.651 3.692 40 0 KHABRN Cc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2nc3ccccc3n2C)cc1 ZINC000100336601 554319862 /nfs/dbraw/zinc/31/98/62/554319862.db2.gz LVBJYIKVTYPZPT-RNWIMVQKSA-N 0 0 551.651 3.692 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1)OCO2 ZINC000100336765 554320179 /nfs/dbraw/zinc/32/01/79/554320179.db2.gz QZWXORRJFLHKSF-LGGPFLRQSA-N 0 0 573.581 3.571 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1)OCO2 ZINC000100336767 554320172 /nfs/dbraw/zinc/32/01/72/554320172.db2.gz QZWXORRJFLHKSF-KCWXNJEJSA-N 0 0 573.581 3.571 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1)OCO2 ZINC000100336771 554320066 /nfs/dbraw/zinc/32/00/66/554320066.db2.gz QZWXORRJFLHKSF-PBBNMVCDSA-N 0 0 573.581 3.571 40 0 KHABRN CC(=O)c1cc2c(cc1N(C(=O)Cn1nnc3ccccc31)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1)OCO2 ZINC000100336776 554320163 /nfs/dbraw/zinc/32/01/63/554320163.db2.gz QZWXORRJFLHKSF-ONOMSOESSA-N 0 0 573.581 3.571 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100336835 554320430 /nfs/dbraw/zinc/32/04/30/554320430.db2.gz KJXPMZVDZLNRKY-CUBQBAPOSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100336838 554320431 /nfs/dbraw/zinc/32/04/31/554320431.db2.gz KJXPMZVDZLNRKY-RBJSKKJNSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100336842 554320423 /nfs/dbraw/zinc/32/04/23/554320423.db2.gz KJXPMZVDZLNRKY-YWEHKCAJSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000100336844 554320388 /nfs/dbraw/zinc/32/03/88/554320388.db2.gz KJXPMZVDZLNRKY-UFHPHHKVSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000100336848 554320415 /nfs/dbraw/zinc/32/04/15/554320415.db2.gz SSFCJBAHSMXMMD-FIPFOOKPSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000100336852 554320401 /nfs/dbraw/zinc/32/04/01/554320401.db2.gz SSFCJBAHSMXMMD-NEKDWFFYSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000100336856 554320364 /nfs/dbraw/zinc/32/03/64/554320364.db2.gz SSFCJBAHSMXMMD-LXFBAYGMSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000100336860 554320347 /nfs/dbraw/zinc/32/03/47/554320347.db2.gz SSFCJBAHSMXMMD-QDPGVEIFSA-N 0 0 531.588 3.644 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336899 554320383 /nfs/dbraw/zinc/32/03/83/554320383.db2.gz VBKLDKWUECALCF-IADCTJSHSA-N 0 0 541.608 3.581 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336903 554320444 /nfs/dbraw/zinc/32/04/44/554320444.db2.gz VBKLDKWUECALCF-MUAVYFROSA-N 0 0 541.608 3.581 40 0 KHABRN Cc1ccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336905 554320421 /nfs/dbraw/zinc/32/04/21/554320421.db2.gz VBKLDKWUECALCF-BTYSJIOQSA-N 0 0 541.608 3.581 40 0 KHABRN Cc1ccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc3c(c2)OCCO3)cc1 ZINC000100336911 554320360 /nfs/dbraw/zinc/32/03/60/554320360.db2.gz VBKLDKWUECALCF-RNWIMVQKSA-N 0 0 541.608 3.581 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccc(OC)c1OC ZINC000100336956 554320443 /nfs/dbraw/zinc/32/04/43/554320443.db2.gz AFLFZHQXRGQTBL-MMTVBGGISA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccc(OC)c1OC ZINC000100336960 554320438 /nfs/dbraw/zinc/32/04/38/554320438.db2.gz AFLFZHQXRGQTBL-WTYVLRPYSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1cccc(OC)c1OC ZINC000100336964 554320447 /nfs/dbraw/zinc/32/04/47/554320447.db2.gz AFLFZHQXRGQTBL-NGOKVRLYSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccc(OC)c1OC ZINC000100336967 554320393 /nfs/dbraw/zinc/32/03/93/554320393.db2.gz AFLFZHQXRGQTBL-PIIWDFAUSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1OC ZINC000100336975 554320371 /nfs/dbraw/zinc/32/03/71/554320371.db2.gz VHWGZDHVUCTGAL-LGGPFLRQSA-N 0 0 589.649 3.535 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1OC ZINC000100336980 554320432 /nfs/dbraw/zinc/32/04/32/554320432.db2.gz VHWGZDHVUCTGAL-KCWXNJEJSA-N 0 0 589.649 3.535 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1OC ZINC000100336985 554320434 /nfs/dbraw/zinc/32/04/34/554320434.db2.gz VHWGZDHVUCTGAL-PBBNMVCDSA-N 0 0 589.649 3.535 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1OC ZINC000100336989 554320427 /nfs/dbraw/zinc/32/04/27/554320427.db2.gz VHWGZDHVUCTGAL-ONOMSOESSA-N 0 0 589.649 3.535 40 0 KHABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1OC ZINC000100337026 554320670 /nfs/dbraw/zinc/32/06/70/554320670.db2.gz DADUWBZVWLSCDD-IADCTJSHSA-N 0 0 571.634 3.721 40 0 KHABRN COc1cccc([C@H](C(=O)NC[C@@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1OC ZINC000100337028 554320684 /nfs/dbraw/zinc/32/06/84/554320684.db2.gz DADUWBZVWLSCDD-MUAVYFROSA-N 0 0 571.634 3.721 40 0 KHABRN COc1cccc([C@@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1OC ZINC000100337030 554320657 /nfs/dbraw/zinc/32/06/57/554320657.db2.gz DADUWBZVWLSCDD-BTYSJIOQSA-N 0 0 571.634 3.721 40 0 KHABRN COc1cccc([C@H](C(=O)NC[C@H]2CCCO2)N(C(=O)Cn2nnc3ccccc32)c2ccc(C(C)=O)cc2)c1OC ZINC000100337034 554320659 /nfs/dbraw/zinc/32/06/59/554320659.db2.gz DADUWBZVWLSCDD-RNWIMVQKSA-N 0 0 571.634 3.721 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337055 554320728 /nfs/dbraw/zinc/32/07/28/554320728.db2.gz FXGSXTINNZYVFZ-DWACAAAGSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337057 554320652 /nfs/dbraw/zinc/32/06/52/554320652.db2.gz FXGSXTINNZYVFZ-RBISFHTESA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337060 554320678 /nfs/dbraw/zinc/32/06/78/554320678.db2.gz FXGSXTINNZYVFZ-DFHRPNOPSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccc(OC)c2OC)cc1 ZINC000100337063 554320700 /nfs/dbraw/zinc/32/07/00/554320700.db2.gz FXGSXTINNZYVFZ-SKCUWOTOSA-N 0 0 559.623 3.527 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccc(OC)c1OC ZINC000100337067 554320691 /nfs/dbraw/zinc/32/06/91/554320691.db2.gz PQBYYYOAOIICSS-ZTOMLWHTSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccc(OC)c1OC ZINC000100337070 554320675 /nfs/dbraw/zinc/32/06/75/554320675.db2.gz PQBYYYOAOIICSS-PZGXJGMVSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1cccc(OC)c1OC ZINC000100337075 554320722 /nfs/dbraw/zinc/32/07/22/554320722.db2.gz PQBYYYOAOIICSS-MNNSJKJDSA-N 0 0 573.650 3.522 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccc(OC)c1OC ZINC000100337079 554320705 /nfs/dbraw/zinc/32/07/05/554320705.db2.gz PQBYYYOAOIICSS-KPURRNSFSA-N 0 0 573.650 3.522 40 0 KHABRN Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C(C)C)cc2)ccc1-n1cnnn1 ZINC000100337289 554320952 /nfs/dbraw/zinc/32/09/52/554320952.db2.gz AIWHUYZFVHGKJT-HVNZXBJASA-N 0 0 593.692 3.909 40 0 KHABRN Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(C(C)C)cc2)ccc1-n1cnnn1 ZINC000100337293 554320957 /nfs/dbraw/zinc/32/09/57/554320957.db2.gz AIWHUYZFVHGKJT-SUYBVONHSA-N 0 0 593.692 3.909 40 0 KHABRN Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(C(C)C)cc2)ccc1-n1cnnn1 ZINC000100337296 554320919 /nfs/dbraw/zinc/32/09/19/554320919.db2.gz AIWHUYZFVHGKJT-NEEKEDPPSA-N 0 0 593.692 3.909 40 0 KHABRN Cc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(C(C)C)cc2)ccc1-n1cnnn1 ZINC000100337300 554320945 /nfs/dbraw/zinc/32/09/45/554320945.db2.gz AIWHUYZFVHGKJT-MXBOTTGLSA-N 0 0 593.692 3.909 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1OC ZINC000100337535 554321538 /nfs/dbraw/zinc/32/15/38/554321538.db2.gz FBKMIQYTBBJBBR-KMRXNPHXSA-N 0 0 563.680 3.618 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2cccs2)cc1OC ZINC000100337539 554321441 /nfs/dbraw/zinc/32/14/41/554321441.db2.gz FBKMIQYTBBJBBR-RBTNQOKQSA-N 0 0 563.680 3.618 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1OC ZINC000100337542 554321477 /nfs/dbraw/zinc/32/14/77/554321477.db2.gz FBKMIQYTBBJBBR-PIKZIKFNSA-N 0 0 563.680 3.618 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2cccs2)cc1OC ZINC000100337545 554321500 /nfs/dbraw/zinc/32/15/00/554321500.db2.gz FBKMIQYTBBJBBR-LYZGTLIUSA-N 0 0 563.680 3.618 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 ZINC000100337627 554321483 /nfs/dbraw/zinc/32/14/83/554321483.db2.gz LQVNURHGOFCMIX-DWACAAAGSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2F)cc1 ZINC000100337630 554321472 /nfs/dbraw/zinc/32/14/72/554321472.db2.gz LQVNURHGOFCMIX-RBISFHTESA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)cc1 ZINC000100337634 554321549 /nfs/dbraw/zinc/32/15/49/554321549.db2.gz LQVNURHGOFCMIX-DFHRPNOPSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccccc2F)cc1 ZINC000100337637 554321507 /nfs/dbraw/zinc/32/15/07/554321507.db2.gz LQVNURHGOFCMIX-SKCUWOTOSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000100337645 554321526 /nfs/dbraw/zinc/32/15/26/554321526.db2.gz PCOLMVXPFGWUEA-KMRXNPHXSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F ZINC000100337648 554321555 /nfs/dbraw/zinc/32/15/55/554321555.db2.gz PCOLMVXPFGWUEA-RBTNQOKQSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000100337651 554321424 /nfs/dbraw/zinc/32/14/24/554321424.db2.gz PCOLMVXPFGWUEA-PIKZIKFNSA-N 0 0 531.588 3.644 40 0 KHABRN COc1ccccc1CN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F ZINC000100337656 554321492 /nfs/dbraw/zinc/32/14/92/554321492.db2.gz PCOLMVXPFGWUEA-LYZGTLIUSA-N 0 0 531.588 3.644 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000100337736 554321772 /nfs/dbraw/zinc/32/17/72/554321772.db2.gz KKCDZWMAFUXQME-IADCTJSHSA-N 0 0 543.624 3.908 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccc(OC)c1 ZINC000100337741 554321724 /nfs/dbraw/zinc/32/17/24/554321724.db2.gz KKCDZWMAFUXQME-MUAVYFROSA-N 0 0 543.624 3.908 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC[C@H]1CCCO1)c1cccc(OC)c1 ZINC000100337747 554321841 /nfs/dbraw/zinc/32/18/41/554321841.db2.gz KKCDZWMAFUXQME-BTYSJIOQSA-N 0 0 543.624 3.908 40 0 KHABRN CCOc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC[C@H]1CCCO1)c1cccc(OC)c1 ZINC000100337751 554321808 /nfs/dbraw/zinc/32/18/08/554321808.db2.gz KKCDZWMAFUXQME-RNWIMVQKSA-N 0 0 543.624 3.908 40 0 KHABRN COc1cccc([C@@H](C(=O)NC[C@@H]2CCCO2)N(Cc2ccc(F)cc2)C(=O)Cn2nnc3ccccc32)c1 ZINC000100337827 554321735 /nfs/dbraw/zinc/32/17/35/554321735.db2.gz IFLSQYQDYSBIGC-CUBQBAPOSA-N 0 0 531.588 3.644 40 0 KHABRN 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531.622 3.779 40 0 KHABRN C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000100341767 554326328 /nfs/dbraw/zinc/32/63/28/554326328.db2.gz WJEWDAZYPZCAFU-SFHVURJKSA-N 0 0 531.622 3.779 40 0 KHABRN COc1ccccc1N1CCN([C@H](c2nnnn2CCc2ccccc2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000100342156 554327008 /nfs/dbraw/zinc/32/70/08/554327008.db2.gz QJXKGOGFHWCKQP-LJAQVGFWSA-N 0 0 535.652 3.986 40 0 KHABRN COc1ccccc1N1CCN([C@@H](c2nnnn2CCc2ccccc2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000100342160 554327021 /nfs/dbraw/zinc/32/70/21/554327021.db2.gz QJXKGOGFHWCKQP-GDLZYMKVSA-N 0 0 535.652 3.986 40 0 KHABRN Cc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1C ZINC000100342274 554327218 /nfs/dbraw/zinc/32/72/18/554327218.db2.gz IKCRBNNXZSBLTA-MHZLTWQESA-N 0 0 537.624 3.515 40 0 KHABRN Cc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c2c1C ZINC000100342280 554327276 /nfs/dbraw/zinc/32/72/76/554327276.db2.gz IKCRBNNXZSBLTA-HHHXNRCGSA-N 0 0 537.624 3.515 40 0 KHABRN COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1 ZINC000100342348 554327240 /nfs/dbraw/zinc/32/72/40/554327240.db2.gz QUNQIHDBYSFDHM-NDEPHWFRSA-N 0 0 539.615 3.817 40 0 KHABRN COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccccc4F)CC3)c(=O)[nH]c2c1 ZINC000100342353 554327289 /nfs/dbraw/zinc/32/72/89/554327289.db2.gz QUNQIHDBYSFDHM-MUUNZHRXSA-N 0 0 539.615 3.817 40 0 KHABRN COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1 ZINC000100342361 554327251 /nfs/dbraw/zinc/32/72/51/554327251.db2.gz HUAQRGHXJMAKEA-LJAQVGFWSA-N 0 0 551.651 3.686 40 0 KHABRN COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccccc4OC)CC3)c(=O)[nH]c2c1 ZINC000100342366 554327228 /nfs/dbraw/zinc/32/72/28/554327228.db2.gz HUAQRGHXJMAKEA-GDLZYMKVSA-N 0 0 551.651 3.686 40 0 KHABRN COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000100342372 554327277 /nfs/dbraw/zinc/32/72/77/554327277.db2.gz MGKKNXRVJJCTSJ-NDEPHWFRSA-N 0 0 539.615 3.817 40 0 KHABRN COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000100342378 554327274 /nfs/dbraw/zinc/32/72/74/554327274.db2.gz MGKKNXRVJJCTSJ-MUUNZHRXSA-N 0 0 539.615 3.817 40 0 KHABRN COc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000100346580 554330241 /nfs/dbraw/zinc/33/02/41/554330241.db2.gz RWFKLJDTPIEXPL-UHFFFAOYSA-N 0 0 538.655 3.776 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)cc1 ZINC000100346584 554330275 /nfs/dbraw/zinc/33/02/75/554330275.db2.gz HBYLCRHAKPNXLQ-UHFFFAOYSA-N 0 0 526.644 3.585 40 0 KHABRN Cc1cc(C)cc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 ZINC000100352931 554331517 /nfs/dbraw/zinc/33/15/17/554331517.db2.gz HRGJYGMAZPJKAJ-DEOSSOPVSA-N 0 0 563.742 3.532 40 0 KHABRN Cc1cc(C)cc(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1 ZINC000100352933 554331455 /nfs/dbraw/zinc/33/14/55/554331455.db2.gz HRGJYGMAZPJKAJ-XMMPIXPASA-N 0 0 563.742 3.532 40 0 KHABRN COC(=O)c1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2cccc(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100352952 554331484 /nfs/dbraw/zinc/33/14/84/554331484.db2.gz MHPIFVBQKOSJMN-HHHXNRCGSA-N 0 0 543.624 3.911 40 0 KHABRN COC(=O)c1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2cccc(OC)c2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000100352956 554331450 /nfs/dbraw/zinc/33/14/50/554331450.db2.gz MHPIFVBQKOSJMN-MHZLTWQESA-N 0 0 543.624 3.911 40 0 KHABRN Cc1cc(C)cc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000100352999 554331536 /nfs/dbraw/zinc/33/15/36/554331536.db2.gz FBPGQJDGXMOYNJ-DEOSSOPVSA-N 0 0 563.742 3.677 40 0 KHABRN Cc1cc(C)cc(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000100353003 554331477 /nfs/dbraw/zinc/33/14/77/554331477.db2.gz FBPGQJDGXMOYNJ-XMMPIXPASA-N 0 0 563.742 3.677 40 0 KHABRN COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCCC(C)C)c2ccc(C)cc2)ccc1-n1cnnn1 ZINC000100353066 554331512 /nfs/dbraw/zinc/33/15/12/554331512.db2.gz ZKXBHDNEKMSXQL-LJAQVGFWSA-N 0 0 567.654 3.661 40 0 KHABRN COc1cc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCCC(C)C)c2ccc(C)cc2)ccc1-n1cnnn1 ZINC000100353071 554331465 /nfs/dbraw/zinc/33/14/65/554331465.db2.gz ZKXBHDNEKMSXQL-GDLZYMKVSA-N 0 0 567.654 3.661 40 0 KHABRN CCOc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000100353503 554332179 /nfs/dbraw/zinc/33/21/79/554332179.db2.gz VXBUVGUPDSQWCX-NDEPHWFRSA-N 0 0 583.653 3.504 40 0 KHABRN CCOc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)Cn2nnc3ccccc32)c2ccc(-n3cnnn3)c(OC)c2)cc1 ZINC000100353506 554332197 /nfs/dbraw/zinc/33/21/97/554332197.db2.gz VXBUVGUPDSQWCX-MUUNZHRXSA-N 0 0 583.653 3.504 40 0 KHABRN Cc1cccc2cc([C@H](c3nnnn3Cc3ccco3)N3CCN(c4nc5ccccc5s4)CC3)c(=O)[nH]c12 ZINC000100354188 554333376 /nfs/dbraw/zinc/33/33/76/554333376.db2.gz QSHPBJPYQBBZHY-RUZDIDTESA-N 0 0 538.637 3.986 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000100354835 554334284 /nfs/dbraw/zinc/33/42/84/554334284.db2.gz OVPWQEOWQFBWMM-LJAQVGFWSA-N 0 0 551.651 3.686 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000100354837 554334308 /nfs/dbraw/zinc/33/43/08/554334308.db2.gz OVPWQEOWQFBWMM-GDLZYMKVSA-N 0 0 551.651 3.686 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000100354953 554334670 /nfs/dbraw/zinc/33/46/70/554334670.db2.gz APEVMGCVRPYEDH-LJAQVGFWSA-N 0 0 535.652 3.673 40 0 KHABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(Cc4ccccc4)CC3)cc2c1 ZINC000100354955 554334738 /nfs/dbraw/zinc/33/47/38/554334738.db2.gz APEVMGCVRPYEDH-GDLZYMKVSA-N 0 0 535.652 3.673 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000100354990 554334727 /nfs/dbraw/zinc/33/47/27/554334727.db2.gz UTBUAKLJUUJXAT-HKBQPEDESA-N 0 0 577.689 3.956 40 0 KHABRN CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000100354993 554334620 /nfs/dbraw/zinc/33/46/20/554334620.db2.gz UTBUAKLJUUJXAT-WJOKGBTCSA-N 0 0 577.689 3.956 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000100355381 554335338 /nfs/dbraw/zinc/33/53/38/554335338.db2.gz CVGGRGRPFDRSET-MUUNZHRXSA-N 0 0 544.656 3.961 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000100355385 554335343 /nfs/dbraw/zinc/33/53/43/554335343.db2.gz CVGGRGRPFDRSET-NDEPHWFRSA-N 0 0 544.656 3.961 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc2c(cc1C(C)=O)OCO2 ZINC000100355428 554335327 /nfs/dbraw/zinc/33/53/27/554335327.db2.gz BCEXRSMMKCYZES-HHHXNRCGSA-N 0 0 542.596 3.837 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1cc2c(cc1C(C)=O)OCO2 ZINC000100355431 554335332 /nfs/dbraw/zinc/33/53/32/554335332.db2.gz BCEXRSMMKCYZES-MHZLTWQESA-N 0 0 542.596 3.837 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1ccncc1)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000100355489 554335336 /nfs/dbraw/zinc/33/53/36/554335336.db2.gz BQNUSJWFCRGGJJ-MUUNZHRXSA-N 0 0 544.656 3.961 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1ccncc1)N(CCc1ccc(OC)c(OC)c1)C(=O)Cn1nnc2ccccc21 ZINC000100355492 554335301 /nfs/dbraw/zinc/33/53/01/554335301.db2.gz BQNUSJWFCRGGJJ-NDEPHWFRSA-N 0 0 544.656 3.961 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NC(C)(C)CC)c1cc(OC)c(OC)c(OC)c1 ZINC000100355633 554335691 /nfs/dbraw/zinc/33/56/91/554335691.db2.gz YMAWDYRPYLCEBL-AREMUKBSSA-N 0 0 555.676 3.758 40 0 KHABRN CCOCCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC(C)(C)CC)c1cc(OC)c(OC)c(OC)c1 ZINC000100355636 554335672 /nfs/dbraw/zinc/33/56/72/554335672.db2.gz YMAWDYRPYLCEBL-SANMLTNESA-N 0 0 555.676 3.758 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000100355663 554335660 /nfs/dbraw/zinc/33/56/60/554335660.db2.gz PEEAVRXOWKLTDB-RXFWQSSRSA-N 0 0 553.660 3.511 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000100355666 554335648 /nfs/dbraw/zinc/33/56/48/554335648.db2.gz PEEAVRXOWKLTDB-FNZWTVRRSA-N 0 0 553.660 3.511 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000100355670 554335700 /nfs/dbraw/zinc/33/57/00/554335700.db2.gz PEEAVRXOWKLTDB-FQRUVTKNSA-N 0 0 553.660 3.511 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000100355674 554335651 /nfs/dbraw/zinc/33/56/51/554335651.db2.gz PEEAVRXOWKLTDB-IBVKSMDESA-N 0 0 553.660 3.511 40 0 KHABRN CCC(C)(C)NC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(-n2cnnn2)c(OC)c1 ZINC000100356472 554337147 /nfs/dbraw/zinc/33/71/47/554337147.db2.gz DSFQFXGMABJKGM-MUUNZHRXSA-N 0 0 583.653 3.504 40 0 KHABRN CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(-n2cnnn2)c(OC)c1 ZINC000100356478 554337194 /nfs/dbraw/zinc/33/71/94/554337194.db2.gz DSFQFXGMABJKGM-NDEPHWFRSA-N 0 0 583.653 3.504 40 0 KHABRN CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(S(=O)(=O)NC[C@@H]5CCCO5)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000100361690 554345656 /nfs/dbraw/zinc/34/56/56/554345656.db2.gz 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3.575 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103750675 555467341 /nfs/dbraw/zinc/46/73/41/555467341.db2.gz RSFFNDWPXZSHIX-OUQXZNHLSA-N 0 0 582.270 3.925 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103750681 555467273 /nfs/dbraw/zinc/46/72/73/555467273.db2.gz RSFFNDWPXZSHIX-XLCPLWEUSA-N 0 0 582.270 3.925 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103750689 555467251 /nfs/dbraw/zinc/46/72/51/555467251.db2.gz GXERBPRHGBILLB-FNUHDPNESA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103750693 555467353 /nfs/dbraw/zinc/46/73/53/555467353.db2.gz GXERBPRHGBILLB-PZDOZLBDSA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103750699 555467287 /nfs/dbraw/zinc/46/72/87/555467287.db2.gz GTQOATGCJKQDKT-GTENMVSRSA-N 0 0 519.442 3.631 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103750703 555467292 /nfs/dbraw/zinc/46/72/92/555467292.db2.gz GTQOATGCJKQDKT-OXRZLYTFSA-N 0 0 519.442 3.631 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103750747 555467300 /nfs/dbraw/zinc/46/73/00/555467300.db2.gz GLDCGEXOXQKJJW-FNUHDPNESA-N 0 0 527.440 3.878 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103750748 555467622 /nfs/dbraw/zinc/46/76/22/555467622.db2.gz GLDCGEXOXQKJJW-PZDOZLBDSA-N 0 0 527.440 3.878 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000103750946 555467519 /nfs/dbraw/zinc/46/75/19/555467519.db2.gz MGHSUEXPZPVHMJ-PMPAQKPWSA-N 0 0 557.024 3.588 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000103750951 555467530 /nfs/dbraw/zinc/46/75/30/555467530.db2.gz MGHSUEXPZPVHMJ-SPVXFMEISA-N 0 0 557.024 3.588 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103754649 555468838 /nfs/dbraw/zinc/46/88/38/555468838.db2.gz UBDDKUDJOKZRKE-HZHYMEEXSA-N 0 0 530.602 3.854 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000103754653 555468858 /nfs/dbraw/zinc/46/88/58/555468858.db2.gz UBDDKUDJOKZRKE-VFHYMGCCSA-N 0 0 530.602 3.854 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000103754900 555469123 /nfs/dbraw/zinc/46/91/23/555469123.db2.gz QZHHHUJZWXWISC-PRWBYUBPSA-N 0 0 578.403 3.551 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000103754904 555469158 /nfs/dbraw/zinc/46/91/58/555469158.db2.gz QZHHHUJZWXWISC-SRKIZSPNSA-N 0 0 578.403 3.551 40 0 KHABRN CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc(Br)c3)CC2)cc1 ZINC000103757572 555470356 /nfs/dbraw/zinc/47/03/56/555470356.db2.gz SKSJDQHTILZJPO-UHFFFAOYSA-N 0 0 545.478 3.531 40 0 KHABRN O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 ZINC000103760978 555471332 /nfs/dbraw/zinc/47/13/32/555471332.db2.gz AZAANWYREOQRFB-QCDSWUKFSA-N 0 0 557.601 3.773 40 0 KHABRN O=C(CN1C(=O)C2(CCCC2)NC[C@@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000103760981 555471384 /nfs/dbraw/zinc/47/13/84/555471384.db2.gz AZAANWYREOQRFB-FYBSXPHGSA-N 0 0 557.601 3.773 40 0 KHABRN O=C(CN1C(=O)C2(CCCC2)NC[C@@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 ZINC000103760984 555471350 /nfs/dbraw/zinc/47/13/50/555471350.db2.gz AZAANWYREOQRFB-RNAHPLFWSA-N 0 0 557.601 3.773 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1cccs1 ZINC000103764877 555472361 /nfs/dbraw/zinc/47/23/61/555472361.db2.gz RVRBOTDRPAHYGR-OFVJEAJMSA-N 0 0 530.627 3.784 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000103764881 555472308 /nfs/dbraw/zinc/47/23/08/555472308.db2.gz RVRBOTDRPAHYGR-RTWFUWSXSA-N 0 0 530.627 3.784 40 0 KHABRN CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccccc3Br)CC2)cc1 ZINC000103768728 555474285 /nfs/dbraw/zinc/47/42/85/555474285.db2.gz PMRBOXJNTQJVER-UHFFFAOYSA-N 0 0 545.478 3.531 40 0 KHABRN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)CSc4nncn4C)cc3s2)cc1 ZINC000103771054 555475078 /nfs/dbraw/zinc/47/50/78/555475078.db2.gz UEYXFJIAVJZPMZ-UHFFFAOYSA-N 0 0 528.641 3.673 40 0 KHABRN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccc(C)cc2C)cc1 ZINC000103781525 1066885974 /nfs/dbraw/zinc/88/59/74/1066885974.db2.gz MHZRIVDRLJHXKD-UHFFFAOYSA-N 0 0 608.746 3.804 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000103784265 555476715 /nfs/dbraw/zinc/47/67/15/555476715.db2.gz NLMNFINVCDMHBS-CINCIDGWSA-N 0 0 560.603 3.798 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000103784268 555476706 /nfs/dbraw/zinc/47/67/06/555476706.db2.gz NLMNFINVCDMHBS-WALVNQSHSA-N 0 0 560.603 3.798 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000103784843 555477224 /nfs/dbraw/zinc/47/72/24/555477224.db2.gz NDFUYYUVIPOSOG-JAORQVBISA-N 0 0 531.403 3.709 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3Br)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000103784848 555477240 /nfs/dbraw/zinc/47/72/40/555477240.db2.gz NDFUYYUVIPOSOG-JCAJYURWSA-N 0 0 531.403 3.709 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000103786976 555478016 /nfs/dbraw/zinc/47/80/16/555478016.db2.gz AUKIKMIXLBHGJD-CWJUKMOQSA-N 0 0 603.697 3.723 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000103786980 555478004 /nfs/dbraw/zinc/47/80/04/555478004.db2.gz AUKIKMIXLBHGJD-SFKHYTNKSA-N 0 0 603.697 3.723 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000103788777 555478597 /nfs/dbraw/zinc/47/85/97/555478597.db2.gz NCXIHVRLGFBCBT-QUYTYNJFSA-N 0 0 594.995 3.936 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)=C(C(F)(F)F)N=2 ZINC000103788781 555478601 /nfs/dbraw/zinc/47/86/01/555478601.db2.gz NCXIHVRLGFBCBT-DUBROFONSA-N 0 0 594.995 3.936 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c1 ZINC000103788896 555478594 /nfs/dbraw/zinc/47/85/94/555478594.db2.gz BMDOILRZZDCSKC-QUYTYNJFSA-N 0 0 594.995 3.936 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c1 ZINC000103788900 555478622 /nfs/dbraw/zinc/47/86/22/555478622.db2.gz BMDOILRZZDCSKC-DUBROFONSA-N 0 0 594.995 3.936 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103789141 555479088 /nfs/dbraw/zinc/47/90/88/555479088.db2.gz NOGGAROVTNVGOU-MUMAZLPKSA-N 0 0 538.931 3.708 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103789145 555479137 /nfs/dbraw/zinc/47/91/37/555479137.db2.gz NOGGAROVTNVGOU-QMJOVRGKSA-N 0 0 538.931 3.708 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000103789248 555479075 /nfs/dbraw/zinc/47/90/75/555479075.db2.gz YTTLQQHGFWDCQC-LYPXWFNGSA-N 0 0 550.942 3.781 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000103789251 555479149 /nfs/dbraw/zinc/47/91/49/555479149.db2.gz YTTLQQHGFWDCQC-GTVARFKMSA-N 0 0 550.942 3.781 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000103790215 555479831 /nfs/dbraw/zinc/47/98/31/555479831.db2.gz DWEWCPIDJXNOGG-LMSRTUJASA-N 0 0 534.634 3.856 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000103790219 555479863 /nfs/dbraw/zinc/47/98/63/555479863.db2.gz DWEWCPIDJXNOGG-RISWYLRJSA-N 0 0 534.634 3.856 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Cl)ccc3O)sc2=N1 ZINC000103826721 555482791 /nfs/dbraw/zinc/48/27/91/555482791.db2.gz QMRXSYDUXDMQJI-MFUBYVTQSA-N 0 0 543.041 3.955 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(Cl)ccc3O)sc2=N1 ZINC000103826726 555482755 /nfs/dbraw/zinc/48/27/55/555482755.db2.gz QMRXSYDUXDMQJI-RWTNITNYSA-N 0 0 543.041 3.955 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OC)cc3OC)sc2=N1 ZINC000103827404 571361986 /nfs/dbraw/zinc/36/19/86/571361986.db2.gz IKJZQEODPRDCRF-QARYAGPDSA-N 0 0 552.649 3.613 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OC)cc3OC)sc2=N1 ZINC000103827409 571361980 /nfs/dbraw/zinc/36/19/80/571361980.db2.gz IKJZQEODPRDCRF-ZSJKCPIUSA-N 0 0 552.649 3.613 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCC)cc3)sc2=N1 ZINC000103827495 571362031 /nfs/dbraw/zinc/36/20/31/571362031.db2.gz HTQNGSHQRNKHNG-SJJVXOANSA-N 0 0 536.650 3.994 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCC)cc3)sc2=N1 ZINC000103827501 571362089 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/nfs/dbraw/zinc/40/53/85/571405385.db2.gz IMWXKAMLDQAALG-DKOMQPSQSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000105497326 571405396 /nfs/dbraw/zinc/40/53/96/571405396.db2.gz IMWXKAMLDQAALG-IZBTWGKQSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497344 571405417 /nfs/dbraw/zinc/40/54/17/571405417.db2.gz GASZJRCSQMRTOY-ZGOFBEGVSA-N 0 0 588.638 3.862 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497346 571405399 /nfs/dbraw/zinc/40/53/99/571405399.db2.gz GASZJRCSQMRTOY-BIWBSIMWSA-N 0 0 588.638 3.862 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497460 571405499 /nfs/dbraw/zinc/40/54/99/571405499.db2.gz NOZBMEUIYVGVRL-MFUBYVTQSA-N 0 0 617.518 3.985 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497463 571405582 /nfs/dbraw/zinc/40/55/82/571405582.db2.gz NOZBMEUIYVGVRL-RWTNITNYSA-N 0 0 617.518 3.985 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497467 571405561 /nfs/dbraw/zinc/40/55/61/571405561.db2.gz SOWQHYQJCSZJBR-MFUBYVTQSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497469 571405497 /nfs/dbraw/zinc/40/54/97/571405497.db2.gz SOWQHYQJCSZJBR-RWTNITNYSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497617 571405542 /nfs/dbraw/zinc/40/55/42/571405542.db2.gz DZESELPOOOCZBH-VVOOWDFBSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497619 571405598 /nfs/dbraw/zinc/40/55/98/571405598.db2.gz DZESELPOOOCZBH-JUTHHCEFSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497635 571405577 /nfs/dbraw/zinc/40/55/77/571405577.db2.gz LKXUBRGWCKVRAD-QJWUKVPRSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497638 571405584 /nfs/dbraw/zinc/40/55/84/571405584.db2.gz LKXUBRGWCKVRAD-ZYDFGXJWSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497664 571405493 /nfs/dbraw/zinc/40/54/93/571405493.db2.gz RMENHDHXUIAIBU-DKOMQPSQSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000105497666 571405494 /nfs/dbraw/zinc/40/54/94/571405494.db2.gz RMENHDHXUIAIBU-IZBTWGKQSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(O)ccc4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000105497693 571405553 /nfs/dbraw/zinc/40/55/53/571405553.db2.gz UPHVNAASLTZCJZ-LMSRTUJASA-N 0 0 530.602 3.674 40 0 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COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C ZINC000140116935 571455166 /nfs/dbraw/zinc/45/51/66/571455166.db2.gz ONSBSABXTGTGRM-UHFFFAOYSA-N 0 0 535.688 3.605 40 0 KHABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1OC ZINC000140121392 571455147 /nfs/dbraw/zinc/45/51/47/571455147.db2.gz DEOHGTWNGOBGEM-UHFFFAOYSA-N 0 0 551.665 3.854 40 0 KHABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)cc2Cl)cc1 ZINC000140128259 571455362 /nfs/dbraw/zinc/45/53/62/571455362.db2.gz PBMXXNSWEGJROP-UHFFFAOYSA-N 0 0 534.059 3.902 40 0 KHABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2Cl)cc1 ZINC000140340847 571455476 /nfs/dbraw/zinc/45/54/76/571455476.db2.gz RHPJPWFNFOTLCT-UHFFFAOYSA-N 0 0 548.086 3.904 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000140347346 571455641 /nfs/dbraw/zinc/45/56/41/571455641.db2.gz ISXFZDBDQPLFOB-UHFFFAOYSA-N 0 0 543.667 3.866 40 0 KHABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)c(Cl)c2)cc1 ZINC000140348032 571455693 /nfs/dbraw/zinc/45/56/93/571455693.db2.gz AYEDXMRHSXPBGX-UHFFFAOYSA-N 0 0 534.059 3.902 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000140365321 571455657 /nfs/dbraw/zinc/45/56/57/571455657.db2.gz QVBOCFQIQUGRTF-AWEZNQCLSA-N 0 0 550.486 3.580 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000140365481 571455644 /nfs/dbraw/zinc/45/56/44/571455644.db2.gz QVBOCFQIQUGRTF-CQSZACIVSA-N 0 0 550.486 3.580 40 0 KHABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000140367485 571455774 /nfs/dbraw/zinc/45/57/74/571455774.db2.gz PYKAZDFNJFDJJY-UHFFFAOYSA-N 0 0 536.585 3.603 40 0 KHABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(Cl)c2)cc1 ZINC000140375312 571455749 /nfs/dbraw/zinc/45/57/49/571455749.db2.gz HSJVPLDDEKVBJP-UHFFFAOYSA-N 0 0 548.086 3.904 40 0 KHABRN COC(=O)N[C@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1 ZINC000141513064 571455939 /nfs/dbraw/zinc/45/59/39/571455939.db2.gz CMJCXYNUCSMDBY-CYBMUJFWSA-N 0 0 540.021 3.908 40 0 in-vitro KHABRN CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)n2C)cc1 ZINC000143126105 571456226 /nfs/dbraw/zinc/45/62/26/571456226.db2.gz BDKDYJKEOFLDAW-SFHVURJKSA-N 0 0 539.658 3.757 40 0 KHABRN CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)n2C)cc1 ZINC000143126300 571456175 /nfs/dbraw/zinc/45/61/75/571456175.db2.gz BDKDYJKEOFLDAW-GOSISDBHSA-N 0 0 539.658 3.757 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)NC(C)C)c2ccccc2OC)cc1 ZINC000144141557 571456381 /nfs/dbraw/zinc/45/63/81/571456381.db2.gz YMANDMBOKHCTJY-UHFFFAOYSA-N 0 0 511.600 3.676 40 0 KHABRN Cc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000145601743 571456628 /nfs/dbraw/zinc/45/66/28/571456628.db2.gz OXQIHWZEZZSJGB-UHFFFAOYSA-N 0 0 521.639 3.572 40 0 KHABRN Nc1c2cc3c(nc2sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC[C@@H](c1ccccc1)C3 ZINC000145747140 571456623 /nfs/dbraw/zinc/45/66/23/571456623.db2.gz LLOYRVRMIZLBCT-GOSISDBHSA-N 0 0 506.653 3.771 40 0 KHABRN Nc1c2cc3c(nc2sc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC[C@H](c1ccccc1)C3 ZINC000145747336 571456585 /nfs/dbraw/zinc/45/65/85/571456585.db2.gz LLOYRVRMIZLBCT-SFHVURJKSA-N 0 0 506.653 3.771 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCC ZINC000146359040 571456721 /nfs/dbraw/zinc/45/67/21/571456721.db2.gz ONIQRWMWZWLSRT-WQRHYEAKSA-N 0 0 503.374 3.560 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000147805550 571456905 /nfs/dbraw/zinc/45/69/05/571456905.db2.gz OWDHZFLISPROGE-UHFFFAOYSA-N 0 0 551.665 3.580 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(C)ccc2C)cc1 ZINC000148663923 571457021 /nfs/dbraw/zinc/45/70/21/571457021.db2.gz MZMCLCREGXBQIP-UHFFFAOYSA-N 0 0 535.666 3.880 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000148769429 571456935 /nfs/dbraw/zinc/45/69/35/571456935.db2.gz PSJHQTBEPSKQAV-UHFFFAOYSA-N 0 0 525.627 3.984 40 0 KHABRN CC1(C)[C@@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(Br)(Br)[C@@H]2[S@]1=O ZINC000149032059 571457009 /nfs/dbraw/zinc/45/70/09/571457009.db2.gz KUCBNJSCRJWDNK-SKBDVJSQSA-N 0 0 541.261 3.883 40 0 KHABRN [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000150340230 571457754 /nfs/dbraw/zinc/45/77/54/571457754.db2.gz YQUHACPEXSVYDL-HECCNADXSA-N 0 0 753.900 3.551 40 0 KHABRN O=C(CN1CCOCC1)Nc1c(C(=O)c2ccccc2)sc2sc(C(=O)c3ccccc3)c(NC(=O)CN3CCOCC3)c12 ZINC000150346583 571460618 /nfs/dbraw/zinc/46/06/18/571460618.db2.gz SRQQZOSHEZVZAA-UHFFFAOYSA-N 0 0 632.764 3.966 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/c4cc(Br)ccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000150350916 571462060 /nfs/dbraw/zinc/46/20/60/571462060.db2.gz YKZBYPIEZWXKAL-KZYHYKASSA-N 0 0 644.503 3.773 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3/c4cc(Br)ccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000150350917 571462034 /nfs/dbraw/zinc/46/20/34/571462034.db2.gz YKZBYPIEZWXKAL-OKAHBUAWSA-N 0 0 644.503 3.773 40 0 KHABRN CS(=O)(=O)N(CN(c1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1)S(C)(=O)=O)c1ccc([C@@H](O)[C@H]2COCC(=O)N2CCCc2ccccc2)cc1 ZINC000150351139 291818344 /nfs/dbraw/zinc/81/83/44/291818344.db2.gz KNEGVNPFSPFELB-WMDMRMCSSA-N 0 0 849.041 3.664 40 0 biogenic,in-vitro KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000150363454 571464277 /nfs/dbraw/zinc/46/42/77/571464277.db2.gz PXFNVGOLJRRILJ-NWKGEQBZSA-N 0 0 650.491 3.524 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000150363456 571464376 /nfs/dbraw/zinc/46/43/76/571464376.db2.gz PXFNVGOLJRRILJ-YOKWNPFVSA-N 0 0 650.491 3.524 40 0 KHABRN COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=S)[C@@H](OC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000150367289 571465008 /nfs/dbraw/zinc/46/50/08/571465008.db2.gz ZBLGLIZDCWEIJH-GRDZGFKTSA-N 0 0 701.714 3.929 40 0 KHABRN COc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=S)[C@@H](OC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000150367291 571465018 /nfs/dbraw/zinc/46/50/18/571465018.db2.gz ZBLGLIZDCWEIJH-WJLKJTLYSA-N 0 0 701.714 3.929 40 0 KHABRN COc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=S)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000150367293 571465032 /nfs/dbraw/zinc/46/50/32/571465032.db2.gz ZBLGLIZDCWEIJH-JVYBIVSJSA-N 0 0 701.714 3.929 40 0 KHABRN COc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cnc4c3nc(N)[nH]c4=S)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000150367294 571465015 /nfs/dbraw/zinc/46/50/15/571465015.db2.gz ZBLGLIZDCWEIJH-IXMKEJRMSA-N 0 0 701.714 3.929 40 0 KHABRN CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4cccc(F)c4)c(=O)[nH]3)CC2)cc1 ZINC000150369011 571465543 /nfs/dbraw/zinc/46/55/43/571465543.db2.gz ZYYJLIBBRCXWPX-UHFFFAOYSA-N 0 0 643.767 3.636 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1cccc(F)c1 ZINC000150369134 571465536 /nfs/dbraw/zinc/46/55/36/571465536.db2.gz VAEZPAGDWNRQFQ-UHFFFAOYSA-N 0 0 643.767 3.684 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCC4)cc3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000150369386 571465509 /nfs/dbraw/zinc/46/55/09/571465509.db2.gz KMBAHFQDHYINQB-UHFFFAOYSA-N 0 0 650.158 3.557 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000150369633 571465635 /nfs/dbraw/zinc/46/56/35/571465635.db2.gz ABGWKYXMXDVUEW-UHFFFAOYSA-N 0 0 664.185 3.947 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)nc2c1nnn2Cc1c(F)cccc1Cl ZINC000150369857 571465653 /nfs/dbraw/zinc/46/56/53/571465653.db2.gz YXIUDSNBJBFOGR-UHFFFAOYSA-N 0 0 664.185 3.901 40 0 KHABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H](c4nc5c(nnn5Cc5ccccc5Cl)c(=O)[nH]4)C3)cc2)CC1 ZINC000150370044 571465725 /nfs/dbraw/zinc/46/57/25/571465725.db2.gz AOQRUQDGEXMVEZ-NRFANRHFSA-N 0 0 646.195 3.618 40 0 KHABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](c4nc5c(nnn5Cc5ccccc5Cl)c(=O)[nH]4)C3)cc2)CC1 ZINC000150370047 571465755 /nfs/dbraw/zinc/46/57/55/571465755.db2.gz AOQRUQDGEXMVEZ-OAQYLSRUSA-N 0 0 646.195 3.618 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000150372317 571465936 /nfs/dbraw/zinc/46/59/36/571465936.db2.gz GRBSJHFFFZQMLR-IEWVHIKDSA-N 0 0 662.719 3.621 40 0 KHABRN COc1ccc(CCN(C(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1OC ZINC000150372319 571466010 /nfs/dbraw/zinc/46/60/10/571466010.db2.gz GRBSJHFFFZQMLR-XYFQYJLHSA-N 0 0 662.719 3.621 40 0 KHABRN 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LPAUAKHJTIQNIT-NRFANRHFSA-N 0 0 646.195 3.618 40 0 KHABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](c4nc5c(nnn5Cc5cccc(Cl)c5)c(=O)[nH]4)C3)cc2)CC1 ZINC000150374749 571466185 /nfs/dbraw/zinc/46/61/85/571466185.db2.gz LPAUAKHJTIQNIT-OAQYLSRUSA-N 0 0 646.195 3.618 40 0 KHABRN CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[nH]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000150374843 571466317 /nfs/dbraw/zinc/46/63/17/571466317.db2.gz CLCKXGZLHUMROT-UHFFFAOYSA-N 0 0 675.559 3.623 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1c(Cl)cccc1Cl ZINC000150374849 571466342 /nfs/dbraw/zinc/46/63/42/571466342.db2.gz XHABVDXXBJJVNY-UHFFFAOYSA-N 0 0 652.586 3.635 40 0 KHABRN CCOc1cc(S(=O)(=O)N2CCC(c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[nH]3)CC2)c(OCC)cc1-n1cnnn1 ZINC000150374978 571466334 /nfs/dbraw/zinc/46/63/34/571466334.db2.gz WZJOELVCIKAMAV-UHFFFAOYSA-N 0 0 675.559 3.623 40 0 KHABRN O=c1[nH]c(C2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc2c1nnn2Cc1ccc(Cl)cc1Cl ZINC000150374984 571466332 /nfs/dbraw/zinc/46/63/32/571466332.db2.gz SCOFVGYNXSJORY-UHFFFAOYSA-N 0 0 652.586 3.635 40 0 KHABRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000150381728 571467012 /nfs/dbraw/zinc/46/70/12/571467012.db2.gz YAKQZSLOIXXSML-KYJUHHDHSA-N 0 0 661.752 3.965 40 0 KHABRN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000150381729 571467119 /nfs/dbraw/zinc/46/71/19/571467119.db2.gz YAKQZSLOIXXSML-XZWHSSHBSA-N 0 0 661.752 3.965 40 0 KHABRN CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000150381732 571467016 /nfs/dbraw/zinc/46/70/16/571467016.db2.gz YAKQZSLOIXXSML-IHLOFXLRSA-N 0 0 661.752 3.965 40 0 KHABRN CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000150381735 571467053 /nfs/dbraw/zinc/46/70/53/571467053.db2.gz YAKQZSLOIXXSML-LOYHVIPDSA-N 0 0 661.752 3.965 40 0 KHABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000150383466 571467845 /nfs/dbraw/zinc/46/78/45/571467845.db2.gz FJJSXICVINYXFQ-UHFFFAOYSA-N 0 0 666.888 3.998 40 0 KHABRN O=C(NCCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000150383913 571468039 /nfs/dbraw/zinc/46/80/39/571468039.db2.gz UKZDILQBRQEGCV-XUIWWLCJSA-N 0 0 646.656 3.618 40 0 KHABRN CN(C)c1ccc(NC(=O)Cn2nnc(-c3ccc(OCCOCCOc4ccc(C5=NN(C)NN5CC(=O)c5ccc(N(C)C)cc5)cc4)cc3)n2)cc1 ZINC000150385519 571468900 /nfs/dbraw/zinc/46/89/00/571468900.db2.gz IIFOWBKWKXFIIX-UHFFFAOYSA-N 0 0 747.861 3.797 40 0 KHABRN COc1ccccc1[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2OC)CC1 ZINC000150386019 571469138 /nfs/dbraw/zinc/46/91/38/571469138.db2.gz KWHUKUSJCVQNEH-ZPGRZCPFSA-N 0 0 730.786 3.727 40 0 KHABRN COc1ccccc1[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2OC)CC1 ZINC000150386020 571469155 /nfs/dbraw/zinc/46/91/55/571469155.db2.gz KWHUKUSJCVQNEH-TYHGNQNSSA-N 0 0 730.786 3.727 40 0 KHABRN COc1ccccc1[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccccc2OC)CC1 ZINC000150386021 571469192 /nfs/dbraw/zinc/46/91/92/571469192.db2.gz KWHUKUSJCVQNEH-LQFQNGICSA-N 0 0 730.786 3.727 40 0 KHABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000150386170 571469316 /nfs/dbraw/zinc/46/93/16/571469316.db2.gz CNHKOPBFZVYGQI-GSXMQJLBSA-N 0 0 722.273 3.556 40 0 KHABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]3C1[C@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000150386172 571469228 /nfs/dbraw/zinc/46/92/28/571469228.db2.gz CNHKOPBFZVYGQI-MAYXLTIQSA-N 0 0 722.273 3.556 40 0 KHABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]3C1[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000150386174 571469306 /nfs/dbraw/zinc/46/93/06/571469306.db2.gz CNHKOPBFZVYGQI-ICAWZMBCSA-N 0 0 722.273 3.556 40 0 KHABRN CCOC(=O)C1=CC2[C@H]3C(=O)N(c4ccc(I)cc4)C(=O)[C@@H]3C1[C@@H]1C(=O)N(c3ccc(I)cc3)C(=O)[C@H]12 ZINC000150386175 571469314 /nfs/dbraw/zinc/46/93/14/571469314.db2.gz CNHKOPBFZVYGQI-YMXMZVNRSA-N 0 0 722.273 3.556 40 0 KHABRN O=C(CN(C(=O)CCC(=O)N(CC(=O)NCc1ccccc1)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2)NCc1ccccc1 ZINC000150386984 571469644 /nfs/dbraw/zinc/46/96/44/571469644.db2.gz RULGUVDPMVCDMX-UHFFFAOYSA-N 0 0 650.688 3.923 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NCc2ccccc2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000150388164 571470683 /nfs/dbraw/zinc/47/06/83/571470683.db2.gz CRBJTDFGPOICLM-SANMLTNESA-N 0 0 635.699 3.572 40 0 KHABRN COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NCc2ccccc2)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000150388165 571470704 /nfs/dbraw/zinc/47/07/04/571470704.db2.gz CRBJTDFGPOICLM-AREMUKBSSA-N 0 0 635.699 3.572 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000150389332 571471751 /nfs/dbraw/zinc/47/17/51/571471751.db2.gz 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ZINC000150398037 571477158 /nfs/dbraw/zinc/47/71/58/571477158.db2.gz BDLARIQIBCQXJC-QAXCHELISA-N 0 0 650.736 3.747 40 0 KHABRN CS(=O)(=O)N(Cc1ccc(C(=O)NCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1)c1ccccc1 ZINC000150399706 571477790 /nfs/dbraw/zinc/47/77/90/571477790.db2.gz NPJKZMKXOXQTOW-UHFFFAOYSA-N 0 0 634.780 3.779 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccc(C)cc2)cc1OC ZINC000150400492 571477997 /nfs/dbraw/zinc/47/79/97/571477997.db2.gz WPUOOCJABJFOPL-UHFFFAOYSA-N 0 0 754.884 3.661 40 0 KHABRN COc1cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(NC(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC ZINC000150400946 571478092 /nfs/dbraw/zinc/47/80/92/571478092.db2.gz LVCQKABTJYMZQB-UHFFFAOYSA-N 0 0 699.808 3.828 40 0 KHABRN COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4c(c5ccc(OC)cc5n4[N+](=O)[O-])CCN3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000150402959 571478465 /nfs/dbraw/zinc/47/84/65/571478465.db2.gz RWXOJPNUXMEPLE-IBXHDFJSSA-N 0 0 653.685 3.684 40 0 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/nfs/dbraw/zinc/47/91/95/571479195.db2.gz IHWMEHMEDAFJBL-UHFFFAOYSA-N 0 0 636.590 3.803 40 0 KHABRN O=C(CC12CC3CC(C1)CC(CC(=O)Nc1ccc(S(=O)(=O)N4CCOCC4)cc1)(C3)C2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000150405797 571479515 /nfs/dbraw/zinc/47/95/15/571479515.db2.gz ZQRZFJVFEFGOMC-UHFFFAOYSA-N 0 0 700.880 3.672 40 0 KHABRN CCCCCC(=O)C(C)(c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O)c1nc2nnc(NC(=O)Nc3ccc(Cl)cc3)n2[nH]c1=O ZINC000150409681 571481927 /nfs/dbraw/zinc/48/19/27/571481927.db2.gz MSOJXNPLEKRSGT-UHFFFAOYSA-N 0 0 735.553 3.989 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000150416117 571485643 /nfs/dbraw/zinc/48/56/43/571485643.db2.gz YRVWXGATMGSNGP-BUDOKORBSA-N 0 0 655.308 3.880 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000150416123 571485653 /nfs/dbraw/zinc/48/56/53/571485653.db2.gz YRVWXGATMGSNGP-OBXYEHHASA-N 0 0 655.308 3.880 40 0 KHABRN 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COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)cc1OC ZINC000222677007 571383098 /nfs/dbraw/zinc/38/30/98/571383098.db2.gz PMSYOOAHAPHSJR-KRWDZBQOSA-N 0 0 530.574 3.687 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222677009 571383142 /nfs/dbraw/zinc/38/31/42/571383142.db2.gz MNSYGLMMYXIDQW-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2 ZINC000222677017 571383148 /nfs/dbraw/zinc/38/31/48/571383148.db2.gz CJGZYKWCFKTFKI-DEOSSOPVSA-N 0 0 616.534 3.720 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1OC ZINC000222677093 571383094 /nfs/dbraw/zinc/38/30/94/571383094.db2.gz FOVAGAWAQQNLNA-SFHVURJKSA-N 0 0 512.584 3.548 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222677094 571383092 /nfs/dbraw/zinc/38/30/92/571383092.db2.gz IDKARLNGQJQBGO-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCCO2 ZINC000222677108 571383064 /nfs/dbraw/zinc/38/30/64/571383064.db2.gz ZZSIXJCSQBSIFX-VWLOTQADSA-N 0 0 630.561 3.763 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222677154 571383111 /nfs/dbraw/zinc/38/31/11/571383111.db2.gz IDKARLNGQJQBGO-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222677243 571383067 /nfs/dbraw/zinc/38/30/67/571383067.db2.gz IZQNKOCPYGTMEC-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222677326 571383068 /nfs/dbraw/zinc/38/30/68/571383068.db2.gz IZQNKOCPYGTMEC-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000222677339 571383062 /nfs/dbraw/zinc/38/30/62/571383062.db2.gz HICBKTFAULALOZ-SFHVURJKSA-N 0 0 572.636 3.565 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222677356 571383123 /nfs/dbraw/zinc/38/31/23/571383123.db2.gz ICDKKQSHURUGHK-RUZDIDTESA-N 0 0 605.530 3.587 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000222677425 571383216 /nfs/dbraw/zinc/38/32/16/571383216.db2.gz ICDKKQSHURUGHK-VWLOTQADSA-N 0 0 605.530 3.587 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222677568 571383214 /nfs/dbraw/zinc/38/32/14/571383214.db2.gz OSJOIZZCJSFEPX-NDEPHWFRSA-N 0 0 557.628 3.977 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222677646 571383224 /nfs/dbraw/zinc/38/32/24/571383224.db2.gz OSJOIZZCJSFEPX-MUUNZHRXSA-N 0 0 557.628 3.977 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222678039 571383262 /nfs/dbraw/zinc/38/32/62/571383262.db2.gz IZRWIFKLNCVPIW-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222678106 571383254 /nfs/dbraw/zinc/38/32/54/571383254.db2.gz IZRWIFKLNCVPIW-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222678521 571383350 /nfs/dbraw/zinc/38/33/50/571383350.db2.gz HFQCEFOKWUJDIJ-CQSZACIVSA-N 0 0 536.428 3.981 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222678603 571383352 /nfs/dbraw/zinc/38/33/52/571383352.db2.gz HFQCEFOKWUJDIJ-AWEZNQCLSA-N 0 0 536.428 3.981 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)cc1 ZINC000222679616 571383473 /nfs/dbraw/zinc/38/34/73/571383473.db2.gz MCUGZYVCJAZXPS-KRWDZBQOSA-N 0 0 500.548 3.678 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)cc1OC ZINC000222680543 571383604 /nfs/dbraw/zinc/38/36/04/571383604.db2.gz DICQWSPMLQYPNZ-KRWDZBQOSA-N 0 0 512.584 3.791 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222680684 571383568 /nfs/dbraw/zinc/38/35/68/571383568.db2.gz XDLXKNFQQQWJIX-RUZDIDTESA-N 0 0 572.525 3.764 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000222680762 571383618 /nfs/dbraw/zinc/38/36/18/571383618.db2.gz XDLXKNFQQQWJIX-VWLOTQADSA-N 0 0 572.525 3.764 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1C ZINC000222682256 571383837 /nfs/dbraw/zinc/38/38/37/571383837.db2.gz XHNYNKMFRFOKJZ-UHFFFAOYSA-N 0 0 531.656 3.680 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222682524 571383806 /nfs/dbraw/zinc/38/38/06/571383806.db2.gz OVXHNSNLXRTVSL-RUZDIDTESA-N 0 0 605.530 3.587 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000222682600 571383803 /nfs/dbraw/zinc/38/38/03/571383803.db2.gz OVXHNSNLXRTVSL-VWLOTQADSA-N 0 0 605.530 3.587 40 0 KHABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc(OC)c1OC ZINC000222682704 571383789 /nfs/dbraw/zinc/38/37/89/571383789.db2.gz OGKYENNWMWFDDR-UHFFFAOYSA-N 0 0 514.600 3.859 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222683589 571383920 /nfs/dbraw/zinc/38/39/20/571383920.db2.gz JQCBGBZTLLAPRI-XMMPIXPASA-N 0 0 598.519 3.760 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000222683646 571383964 /nfs/dbraw/zinc/38/39/64/571383964.db2.gz JQCBGBZTLLAPRI-DEOSSOPVSA-N 0 0 598.519 3.760 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000222683770 571384051 /nfs/dbraw/zinc/38/40/51/571384051.db2.gz RWOQMUBNZFAOJK-UHFFFAOYSA-N 0 0 523.640 3.868 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222684595 571384027 /nfs/dbraw/zinc/38/40/27/571384027.db2.gz LMLGHGFSTRCTRX-FQEVSTJZSA-N 0 0 558.484 3.820 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222684670 571384037 /nfs/dbraw/zinc/38/40/37/571384037.db2.gz LMLGHGFSTRCTRX-HXUWFJFHSA-N 0 0 558.484 3.820 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 ZINC000222684904 571384149 /nfs/dbraw/zinc/38/41/49/571384149.db2.gz BNCAJQXZGGNKFX-UHFFFAOYSA-N 0 0 507.612 3.978 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222685866 571384288 /nfs/dbraw/zinc/38/42/88/571384288.db2.gz AMKKUEZUQADFKZ-QFIPXVFZSA-N 0 0 543.517 3.938 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222685935 571384266 /nfs/dbraw/zinc/38/42/66/571384266.db2.gz AMKKUEZUQADFKZ-JOCHJYFZSA-N 0 0 543.517 3.938 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222686170 571384284 /nfs/dbraw/zinc/38/42/84/571384284.db2.gz VTPYJIBNYPBVDI-NRFANRHFSA-N 0 0 572.511 3.863 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222686238 571384265 /nfs/dbraw/zinc/38/42/65/571384265.db2.gz VTPYJIBNYPBVDI-OAQYLSRUSA-N 0 0 572.511 3.863 40 0 KHABRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000222687206 571384360 /nfs/dbraw/zinc/38/43/60/571384360.db2.gz WHYVUWDVCUVBAZ-UHFFFAOYSA-N 0 0 533.694 3.671 40 0 KHABRN Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000222687296 571384390 /nfs/dbraw/zinc/38/43/90/571384390.db2.gz WNUVPZLLMHSLDH-UHFFFAOYSA-N 0 0 584.764 3.766 40 0 KHABRN Cc1ccccc1CN(C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222687388 571384381 /nfs/dbraw/zinc/38/43/81/571384381.db2.gz VVRBRYVUXDMXKN-SFHVURJKSA-N 0 0 538.508 3.856 40 0 KHABRN Cc1ccccc1CN(C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222687464 571384366 /nfs/dbraw/zinc/38/43/66/571384366.db2.gz JAGKQGUYNBESAG-SFHVURJKSA-N 0 0 538.508 3.856 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222688607 571384594 /nfs/dbraw/zinc/38/45/94/571384594.db2.gz ULGKXHPFTDLDTB-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN CCSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)s1 ZINC000222688782 571384640 /nfs/dbraw/zinc/38/46/40/571384640.db2.gz DMOADJLYVHIUGF-SFHVURJKSA-N 0 0 506.631 3.562 40 0 KHABRN CCSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C)ccc3O2)s1 ZINC000222688845 571384586 /nfs/dbraw/zinc/38/45/86/571384586.db2.gz DMOADJLYVHIUGF-GOSISDBHSA-N 0 0 506.631 3.562 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl ZINC000222689143 571384709 /nfs/dbraw/zinc/38/47/09/571384709.db2.gz RCUAIWOHVCUOJR-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)c1 ZINC000222689307 571384720 /nfs/dbraw/zinc/38/47/20/571384720.db2.gz KXXANQFIPBFJER-UHFFFAOYSA-N 0 0 531.656 3.680 40 0 KHABRN Cc1ccccc1CN(C(=O)CN(c1ccccc1Br)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222689504 571384748 /nfs/dbraw/zinc/38/47/48/571384748.db2.gz CAVHIPQYKGWHNS-SFHVURJKSA-N 0 0 538.508 3.856 40 0 KHABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc(OC)c1OC ZINC000222689729 571384727 /nfs/dbraw/zinc/38/47/27/571384727.db2.gz BPDCJTTYFCAKMA-UHFFFAOYSA-N 0 0 514.600 3.859 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3n[nH]c(-c4ccccc4)n3)cc2)c1 ZINC000222690782 571384833 /nfs/dbraw/zinc/38/48/33/571384833.db2.gz POBRNCKATYKNSO-UHFFFAOYSA-N 0 0 523.640 3.868 40 0 KHABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC ZINC000222691196 571384933 /nfs/dbraw/zinc/38/49/33/571384933.db2.gz FBTGXEGQBZKZDA-QGZVFWFLSA-N 0 0 561.607 3.748 40 0 KHABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC ZINC000222691260 571384949 /nfs/dbraw/zinc/38/49/49/571384949.db2.gz FBTGXEGQBZKZDA-KRWDZBQOSA-N 0 0 561.607 3.748 40 0 KHABRN Cc1ccccc1CN(C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C ZINC000222691543 571385039 /nfs/dbraw/zinc/38/50/39/571385039.db2.gz GLTKSWVNGMHBQD-SFHVURJKSA-N 0 0 585.508 3.698 40 0 KHABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)cc2)c1 ZINC000222691848 571385056 /nfs/dbraw/zinc/38/50/56/571385056.db2.gz ZHQBXNSKHIQXKV-UHFFFAOYSA-N 0 0 507.612 3.978 40 0 KHABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222692396 571385055 /nfs/dbraw/zinc/38/50/55/571385055.db2.gz GZZWKTQOGCGLPO-RUZDIDTESA-N 0 0 568.095 3.897 40 0 KHABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000222692455 571385183 /nfs/dbraw/zinc/38/51/83/571385183.db2.gz GZZWKTQOGCGLPO-VWLOTQADSA-N 0 0 568.095 3.897 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222693372 571385163 /nfs/dbraw/zinc/38/51/63/571385163.db2.gz LZVPMSDHTZKPKQ-ZVDOUQERSA-N 0 0 508.446 3.967 40 0 KHABRN 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C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000222699032 571385901 /nfs/dbraw/zinc/38/59/01/571385901.db2.gz HRVVEYWHJPASOC-FYSMJZIKSA-N 0 0 514.987 3.945 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222699085 571385938 /nfs/dbraw/zinc/38/59/38/571385938.db2.gz RAVAPJUDQAIJCH-MRXNPFEDSA-N 0 0 500.448 3.540 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222699148 571386067 /nfs/dbraw/zinc/38/60/67/571386067.db2.gz RAVAPJUDQAIJCH-INIZCTEOSA-N 0 0 500.448 3.540 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222699249 571386061 /nfs/dbraw/zinc/38/60/61/571386061.db2.gz MZFOWZHSBVDFJD-MRXNPFEDSA-N 0 0 500.448 3.540 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222699314 571386100 /nfs/dbraw/zinc/38/61/00/571386100.db2.gz MZFOWZHSBVDFJD-INIZCTEOSA-N 0 0 500.448 3.540 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222699647 571386111 /nfs/dbraw/zinc/38/61/11/571386111.db2.gz NVTNOIXPNVDUOE-CYBMUJFWSA-N 0 0 506.839 3.576 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000222699700 571386113 /nfs/dbraw/zinc/38/61/13/571386113.db2.gz NVTNOIXPNVDUOE-ZDUSSCGKSA-N 0 0 506.839 3.576 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222699790 571386053 /nfs/dbraw/zinc/38/60/53/571386053.db2.gz FSKXVIIHIKGLTO-CYBMUJFWSA-N 0 0 506.839 3.576 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000222699843 571386023 /nfs/dbraw/zinc/38/60/23/571386023.db2.gz FSKXVIIHIKGLTO-ZDUSSCGKSA-N 0 0 506.839 3.576 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000222699926 571386210 /nfs/dbraw/zinc/38/62/10/571386210.db2.gz UOQGPHVMEICQIK-CYBMUJFWSA-N 0 0 506.839 3.576 40 0 KHABRN 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222718305 571388775 /nfs/dbraw/zinc/38/87/75/571388775.db2.gz VXDNPWRPMXRMMR-JOCHJYFZSA-N 0 0 537.682 3.660 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222718905 571388757 /nfs/dbraw/zinc/38/87/57/571388757.db2.gz WETWYWAGWIBKCO-UHFFFAOYSA-N 0 0 535.651 3.510 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222719497 571388927 /nfs/dbraw/zinc/38/89/27/571388927.db2.gz KDADWEIHRIGXNU-PMERELPUSA-N 0 0 583.666 3.927 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222719592 571388871 /nfs/dbraw/zinc/38/88/71/571388871.db2.gz XXOMHDBWFOXGAT-HKBQPEDESA-N 0 0 597.693 3.970 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222719844 571388896 /nfs/dbraw/zinc/38/88/96/571388896.db2.gz NLZKJHNOSVOINV-UHFFFAOYSA-N 0 0 519.623 3.620 40 0 KHABRN 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C[C@@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222721812 571389283 /nfs/dbraw/zinc/38/92/83/571389283.db2.gz QJHFGUVICZKTQD-QFIPXVFZSA-N 0 0 523.655 3.730 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222721822 571389234 /nfs/dbraw/zinc/38/92/34/571389234.db2.gz SCSYXEYMQGLDIT-QHCPKHFHSA-N 0 0 592.501 3.874 40 0 KHABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222721872 571389412 /nfs/dbraw/zinc/38/94/12/571389412.db2.gz QJHFGUVICZKTQD-JOCHJYFZSA-N 0 0 523.655 3.730 40 0 KHABRN C[C@@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722225 571389422 /nfs/dbraw/zinc/38/94/22/571389422.db2.gz GJJSIIHGAZQHEB-QHCPKHFHSA-N 0 0 534.682 3.532 40 0 KHABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722275 571389385 /nfs/dbraw/zinc/38/93/85/571389385.db2.gz GJJSIIHGAZQHEB-HSZRJFAPSA-N 0 0 534.682 3.532 40 0 KHABRN 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C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722649 571389504 /nfs/dbraw/zinc/38/95/04/571389504.db2.gz XASSYUHGHCPKTE-QHCPKHFHSA-N 0 0 577.703 3.866 40 0 KHABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722717 571389496 /nfs/dbraw/zinc/38/94/96/571389496.db2.gz XASSYUHGHCPKTE-HSZRJFAPSA-N 0 0 577.703 3.866 40 0 KHABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222722956 571389449 /nfs/dbraw/zinc/38/94/49/571389449.db2.gz BZOKWBXGBWOQQP-XMMPIXPASA-N 0 0 543.730 3.752 40 0 KHABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222723022 571389477 /nfs/dbraw/zinc/38/94/77/571389477.db2.gz BZOKWBXGBWOQQP-DEOSSOPVSA-N 0 0 543.730 3.752 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222723050 571389479 /nfs/dbraw/zinc/38/94/79/571389479.db2.gz GDVQPUYPSBMSDS-RUZDIDTESA-N 0 0 577.534 3.992 40 0 KHABRN 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CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCNc2ccnc3cc(Cl)ccc32)cc1 ZINC000222724180 571389629 /nfs/dbraw/zinc/38/96/29/571389629.db2.gz DEBIYVJZSGVZPL-UHFFFAOYSA-N 0 0 505.040 3.964 40 0 KHABRN Cc1cccc(CN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222724261 571389721 /nfs/dbraw/zinc/38/97/21/571389721.db2.gz WRTKCBDJKIGZCE-SFHVURJKSA-N 0 0 538.508 3.856 40 0 KHABRN COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000222724542 571389673 /nfs/dbraw/zinc/38/96/73/571389673.db2.gz VHDBHKIHGDEFFP-UHFFFAOYSA-N 0 0 535.416 3.962 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222724664 571389662 /nfs/dbraw/zinc/38/96/62/571389662.db2.gz URJAAFGXMZGKOF-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222724726 571389736 /nfs/dbraw/zinc/38/97/36/571389736.db2.gz URJAAFGXMZGKOF-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222724821 571389742 /nfs/dbraw/zinc/38/97/42/571389742.db2.gz OURAKQUZVUTLKE-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222724872 571389729 /nfs/dbraw/zinc/38/97/29/571389729.db2.gz OURAKQUZVUTLKE-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222724968 571389819 /nfs/dbraw/zinc/38/98/19/571389819.db2.gz QTFVGERDEOJDPX-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222725028 571389846 /nfs/dbraw/zinc/38/98/46/571389846.db2.gz QTFVGERDEOJDPX-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222725328 571389844 /nfs/dbraw/zinc/38/98/44/571389844.db2.gz TWXNFXDPAVBWJS-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222725675 571389790 /nfs/dbraw/zinc/38/97/90/571389790.db2.gz FYGIDZDJKKQHNK-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222725743 571389931 /nfs/dbraw/zinc/38/99/31/571389931.db2.gz FYGIDZDJKKQHNK-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1Cl ZINC000222725879 571389982 /nfs/dbraw/zinc/38/99/82/571389982.db2.gz WTSMIXXOHMAJTM-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222726148 571389943 /nfs/dbraw/zinc/38/99/43/571389943.db2.gz NSZWDJRNDJZGFT-CQSZACIVSA-N 0 0 536.428 3.981 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222726218 571389912 /nfs/dbraw/zinc/38/99/12/571389912.db2.gz NSZWDJRNDJZGFT-AWEZNQCLSA-N 0 0 536.428 3.981 40 0 KHABRN Cc1cccc(CN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222726263 571389904 /nfs/dbraw/zinc/38/99/04/571389904.db2.gz PVNOWMRJKYURDL-SFHVURJKSA-N 0 0 538.508 3.856 40 0 KHABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c2ccccc2O1 ZINC000222726290 571389920 /nfs/dbraw/zinc/38/99/20/571389920.db2.gz HWFVWTADEHEJPI-QFIPXVFZSA-N 0 0 561.410 3.596 40 0 KHABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c2ccccc2O1 ZINC000222726355 571389885 /nfs/dbraw/zinc/38/98/85/571389885.db2.gz HWFVWTADEHEJPI-JOCHJYFZSA-N 0 0 561.410 3.596 40 0 KHABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000222727622 571390217 /nfs/dbraw/zinc/39/02/17/571390217.db2.gz CAUMHPJUUSXYEP-UHFFFAOYSA-N 0 0 582.498 3.826 40 0 KHABRN Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222728279 571390307 /nfs/dbraw/zinc/39/03/07/571390307.db2.gz IPGBFYVKPQUCLD-SFHVURJKSA-N 0 0 585.508 3.698 40 0 KHABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2O1 ZINC000222729642 571390471 /nfs/dbraw/zinc/39/04/71/571390471.db2.gz DHKGEBGWEVGDJO-QFIPXVFZSA-N 0 0 550.511 3.852 40 0 KHABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c2ccccc2O1 ZINC000222729697 571390442 /nfs/dbraw/zinc/39/04/42/571390442.db2.gz DHKGEBGWEVGDJO-JOCHJYFZSA-N 0 0 550.511 3.852 40 0 KHABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000222730171 571390634 /nfs/dbraw/zinc/39/06/34/571390634.db2.gz KVNYGNZKYMYFME-UHFFFAOYSA-N 0 0 507.490 3.552 40 0 KHABRN Cc1cccc(CN(C(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222730685 571390545 /nfs/dbraw/zinc/39/05/45/571390545.db2.gz ZDGNVZLCJQCOLF-KRWDZBQOSA-N 0 0 512.047 3.886 40 0 KHABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 ZINC000222730935 571390740 /nfs/dbraw/zinc/39/07/40/571390740.db2.gz UYLIOSMTEKYDCL-UHFFFAOYSA-N 0 0 557.572 3.740 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3c(OC)cccc3OC)cc2)cc1Cl ZINC000222731579 571390654 /nfs/dbraw/zinc/39/06/54/571390654.db2.gz PBPVGJIBQNUIQP-UHFFFAOYSA-N 0 0 520.991 3.862 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222732639 571390870 /nfs/dbraw/zinc/39/08/70/571390870.db2.gz OSHUHAMRTFCXAO-FQEVSTJZSA-N 0 0 558.484 3.820 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222732714 571390875 /nfs/dbraw/zinc/39/08/75/571390875.db2.gz OSHUHAMRTFCXAO-HXUWFJFHSA-N 0 0 558.484 3.820 40 0 KHABRN Cc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222733483 571391035 /nfs/dbraw/zinc/39/10/35/571391035.db2.gz BFVPRSYJRDJDSG-FQEVSTJZSA-N 0 0 531.675 3.602 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222733920 571391188 /nfs/dbraw/zinc/39/11/88/571391188.db2.gz PBMLFRVDHCZIMP-QFIPXVFZSA-N 0 0 543.517 3.938 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222733983 571391166 /nfs/dbraw/zinc/39/11/66/571391166.db2.gz PBMLFRVDHCZIMP-JOCHJYFZSA-N 0 0 543.517 3.938 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222734243 571391150 /nfs/dbraw/zinc/39/11/50/571391150.db2.gz MNUTXAADEHPQOE-NRFANRHFSA-N 0 0 572.511 3.863 40 0 KHABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222734285 571391140 /nfs/dbraw/zinc/39/11/40/571391140.db2.gz KJDNCRMQNNNYGA-QFIPXVFZSA-N 0 0 519.667 3.794 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000222734305 571391155 /nfs/dbraw/zinc/39/11/55/571391155.db2.gz MNUTXAADEHPQOE-OAQYLSRUSA-N 0 0 572.511 3.863 40 0 KHABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222734341 571391122 /nfs/dbraw/zinc/39/11/22/571391122.db2.gz KJDNCRMQNNNYGA-JOCHJYFZSA-N 0 0 519.667 3.794 40 0 KHABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222734347 571391183 /nfs/dbraw/zinc/39/11/83/571391183.db2.gz KHHYYMHFFSGDBA-AREMUKBSSA-N 0 0 583.682 3.733 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222734367 571391174 /nfs/dbraw/zinc/39/11/74/571391174.db2.gz CXBBJDNFFRBUBV-HSZRJFAPSA-N 0 0 574.486 3.914 40 0 KHABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000222734401 571391125 /nfs/dbraw/zinc/39/11/25/571391125.db2.gz KHHYYMHFFSGDBA-SANMLTNESA-N 0 0 583.682 3.733 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)cc2)cc1Cl ZINC000222734405 571391112 /nfs/dbraw/zinc/39/11/12/571391112.db2.gz ZVFSAGOXSSCVLE-UHFFFAOYSA-N 0 0 568.073 3.726 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222734430 571391134 /nfs/dbraw/zinc/39/11/34/571391134.db2.gz CXBBJDNFFRBUBV-QHCPKHFHSA-N 0 0 574.486 3.914 40 0 KHABRN COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)cc2)c1 ZINC000222734851 571391253 /nfs/dbraw/zinc/39/12/53/571391253.db2.gz JBRQZUJHKGFBKY-UHFFFAOYSA-N 0 0 530.599 3.559 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222735063 571391255 /nfs/dbraw/zinc/39/12/55/571391255.db2.gz OERIZWYZGKLRJG-JOCHJYFZSA-N 0 0 549.693 3.802 40 0 KHABRN Cc1cccc(CN(C(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222735073 571391277 /nfs/dbraw/zinc/39/12/77/571391277.db2.gz PWBOBSPTAGASJM-QFIPXVFZSA-N 0 0 516.708 3.557 40 0 KHABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222735134 571391260 /nfs/dbraw/zinc/39/12/60/571391260.db2.gz OERIZWYZGKLRJG-QFIPXVFZSA-N 0 0 549.693 3.802 40 0 KHABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222735230 571391357 /nfs/dbraw/zinc/39/13/57/571391357.db2.gz APXHQOZKUWQSCQ-QHCPKHFHSA-N 0 0 533.694 3.836 40 0 KHABRN C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222735294 571391326 /nfs/dbraw/zinc/39/13/26/571391326.db2.gz APXHQOZKUWQSCQ-HSZRJFAPSA-N 0 0 533.694 3.836 40 0 KHABRN CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222735341 571391325 /nfs/dbraw/zinc/39/13/25/571391325.db2.gz DQYQYDKEWGPRLB-MUUNZHRXSA-N 0 0 568.715 3.851 40 0 KHABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222735388 571391332 /nfs/dbraw/zinc/39/13/32/571391332.db2.gz POUMKVRVXZUXHX-HSZRJFAPSA-N 0 0 563.720 3.845 40 0 KHABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000222735420 571391336 /nfs/dbraw/zinc/39/13/36/571391336.db2.gz DQYQYDKEWGPRLB-NDEPHWFRSA-N 0 0 568.715 3.851 40 0 KHABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccccc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222735450 571391338 /nfs/dbraw/zinc/39/13/38/571391338.db2.gz POUMKVRVXZUXHX-QHCPKHFHSA-N 0 0 563.720 3.845 40 0 KHABRN 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/nfs/dbraw/zinc/39/74/16/571397416.db2.gz FUJGVEJJGDKDDN-LJQANCHMSA-N 0 0 578.062 3.575 40 0 KHABRN COCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222787442 571397487 /nfs/dbraw/zinc/39/74/87/571397487.db2.gz UAIITHALFZVCFO-LJQANCHMSA-N 0 0 578.062 3.839 40 0 KHABRN COCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222787500 571397623 /nfs/dbraw/zinc/39/76/23/571397623.db2.gz UAIITHALFZVCFO-IBGZPJMESA-N 0 0 578.062 3.839 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222787992 571397628 /nfs/dbraw/zinc/39/76/28/571397628.db2.gz PHMJJPULWQKMQN-JOCHJYFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222788054 571397551 /nfs/dbraw/zinc/39/75/51/571397551.db2.gz PHMJJPULWQKMQN-QFIPXVFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788134 571397577 /nfs/dbraw/zinc/39/75/77/571397577.db2.gz BHCKBIFLVNKDPB-JOCHJYFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788190 571397600 /nfs/dbraw/zinc/39/76/00/571397600.db2.gz BHCKBIFLVNKDPB-QFIPXVFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788285 571397712 /nfs/dbraw/zinc/39/77/12/571397712.db2.gz ZVNFYHARXKBGCX-JOCHJYFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788336 571397670 /nfs/dbraw/zinc/39/76/70/571397670.db2.gz ZVNFYHARXKBGCX-QFIPXVFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222788420 571397709 /nfs/dbraw/zinc/39/77/09/571397709.db2.gz YTEAOVQXSWVUIE-HSZRJFAPSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222788476 571397725 /nfs/dbraw/zinc/39/77/25/571397725.db2.gz YTEAOVQXSWVUIE-QHCPKHFHSA-N 0 0 537.682 3.979 40 0 KHABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C ZINC000222788558 571397704 /nfs/dbraw/zinc/39/77/04/571397704.db2.gz LWSBJAUQPBOAJK-UHFFFAOYSA-N 0 0 557.694 3.713 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222788572 571397746 /nfs/dbraw/zinc/39/77/46/571397746.db2.gz QKJROMMAKSMLDV-HSZRJFAPSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222788632 571397669 /nfs/dbraw/zinc/39/76/69/571397669.db2.gz QKJROMMAKSMLDV-QHCPKHFHSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788727 571397680 /nfs/dbraw/zinc/39/76/80/571397680.db2.gz SVTMQSCZPORDNF-HSZRJFAPSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788780 571397744 /nfs/dbraw/zinc/39/77/44/571397744.db2.gz SVTMQSCZPORDNF-QHCPKHFHSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788878 571397745 /nfs/dbraw/zinc/39/77/45/571397745.db2.gz VYCVNPSTERDIIA-HSZRJFAPSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222788946 571397729 /nfs/dbraw/zinc/39/77/29/571397729.db2.gz VYCVNPSTERDIIA-QHCPKHFHSA-N 0 0 537.682 3.979 40 0 KHABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 ZINC000222789041 571397730 /nfs/dbraw/zinc/39/77/30/571397730.db2.gz NQMMXHUIAKYRJE-QFIPXVFZSA-N 0 0 537.682 3.925 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222789718 571397817 /nfs/dbraw/zinc/39/78/17/571397817.db2.gz MKLLZEGGUBSBRQ-FVJLSDCUSA-N 0 0 508.446 3.967 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000222789785 571397838 /nfs/dbraw/zinc/39/78/38/571397838.db2.gz MKLLZEGGUBSBRQ-LLGFUMIMSA-N 0 0 508.446 3.967 40 0 KHABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)S(C)(=O)=O)c1 ZINC000222790121 571397969 /nfs/dbraw/zinc/39/79/69/571397969.db2.gz YUHUEEYFWKITNG-UHFFFAOYSA-N 0 0 584.764 3.766 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC)S(=O)(=O)c1ccc(C)cc1 ZINC000222790352 571397931 /nfs/dbraw/zinc/39/79/31/571397931.db2.gz NHXULYMQLSFHEQ-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222790444 571397951 /nfs/dbraw/zinc/39/79/51/571397951.db2.gz YHHIUEICCBDCAH-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)c(C)c1 ZINC000222790506 571397914 /nfs/dbraw/zinc/39/79/14/571397914.db2.gz SFDSJEBOZASHOL-UHFFFAOYSA-N 0 0 537.638 3.912 40 0 KHABRN C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222790645 571398063 /nfs/dbraw/zinc/39/80/63/571398063.db2.gz ZANCSTSSPYKPJF-QFIPXVFZSA-N 0 0 633.142 3.524 40 0 KHABRN C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222790697 571398025 /nfs/dbraw/zinc/39/80/25/571398025.db2.gz ZANCSTSSPYKPJF-JOCHJYFZSA-N 0 0 633.142 3.524 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000222791109 571398037 /nfs/dbraw/zinc/39/80/37/571398037.db2.gz BEMNHZYYLTUTJX-HXUWFJFHSA-N 0 0 527.618 3.501 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000222791180 571398029 /nfs/dbraw/zinc/39/80/29/571398029.db2.gz BEMNHZYYLTUTJX-FQEVSTJZSA-N 0 0 527.618 3.501 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222791257 571398019 /nfs/dbraw/zinc/39/80/19/571398019.db2.gz GIYIXMSXRRRGSK-LJQANCHMSA-N 0 0 508.084 3.904 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222791269 571398074 /nfs/dbraw/zinc/39/80/74/571398074.db2.gz RTUFPYZJJYHXSO-HXUWFJFHSA-N 0 0 527.618 3.501 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222791316 571398035 /nfs/dbraw/zinc/39/80/35/571398035.db2.gz GIYIXMSXRRRGSK-IBGZPJMESA-N 0 0 508.084 3.904 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222791331 571398043 /nfs/dbraw/zinc/39/80/43/571398043.db2.gz RTUFPYZJJYHXSO-FQEVSTJZSA-N 0 0 527.618 3.501 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000222791414 571398187 /nfs/dbraw/zinc/39/81/87/571398187.db2.gz NXHKXOFUZASEOD-IBGZPJMESA-N 0 0 508.084 3.760 40 0 KHABRN Cc1ccccc1N(CCCC(=O)NCc1nc(-c2cccc(Br)c2)no1)S(C)(=O)=O ZINC000222791461 571398167 /nfs/dbraw/zinc/39/81/67/571398167.db2.gz JRCKJACHAZJUTR-UHFFFAOYSA-N 0 0 507.410 3.670 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000222791472 571398194 /nfs/dbraw/zinc/39/81/94/571398194.db2.gz NXHKXOFUZASEOD-LJQANCHMSA-N 0 0 508.084 3.760 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222791585 571398197 /nfs/dbraw/zinc/39/81/97/571398197.db2.gz QPSHPTCVDAFCMT-JOCHJYFZSA-N 0 0 553.681 3.679 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222791642 571398162 /nfs/dbraw/zinc/39/81/62/571398162.db2.gz QPSHPTCVDAFCMT-QFIPXVFZSA-N 0 0 553.681 3.679 40 0 KHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCNc2ccnc3cc(Cl)ccc32)c(C)c1 ZINC000222792400 571398342 /nfs/dbraw/zinc/39/83/42/571398342.db2.gz GJIHKLONZBCEEB-UHFFFAOYSA-N 0 0 505.040 3.882 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222793712 571398548 /nfs/dbraw/zinc/39/85/48/571398548.db2.gz HXAYUGYWUAGBKS-FQEVSTJZSA-N 0 0 540.469 3.860 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000222793782 571398480 /nfs/dbraw/zinc/39/84/80/571398480.db2.gz HXAYUGYWUAGBKS-HXUWFJFHSA-N 0 0 540.469 3.860 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000222793814 571398470 /nfs/dbraw/zinc/39/84/70/571398470.db2.gz MZOKKJOMQFFKND-IBGZPJMESA-N 0 0 532.062 3.898 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000222793885 571398535 /nfs/dbraw/zinc/39/85/35/571398535.db2.gz MZOKKJOMQFFKND-LJQANCHMSA-N 0 0 532.062 3.898 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222794263 571398515 /nfs/dbraw/zinc/39/85/15/571398515.db2.gz HOFUGMMCSFWBQP-FQEVSTJZSA-N 0 0 543.089 3.700 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccccn2)cc1 ZINC000222794318 571398507 /nfs/dbraw/zinc/39/85/07/571398507.db2.gz HOFUGMMCSFWBQP-HXUWFJFHSA-N 0 0 543.089 3.700 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2cccnc2)cc1 ZINC000222794411 571398590 /nfs/dbraw/zinc/39/85/90/571398590.db2.gz KIVAUMZKFJNFBO-FQEVSTJZSA-N 0 0 543.089 3.700 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2cccnc2)cc1 ZINC000222794476 571398616 /nfs/dbraw/zinc/39/86/16/571398616.db2.gz KIVAUMZKFJNFBO-HXUWFJFHSA-N 0 0 543.089 3.700 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222794577 571398631 /nfs/dbraw/zinc/39/86/31/571398631.db2.gz GQVAORUECPKPIS-FQEVSTJZSA-N 0 0 543.089 3.700 40 0 KHABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)n2)cc1 ZINC000222794616 571398561 /nfs/dbraw/zinc/39/85/61/571398561.db2.gz SNOGYTGFZNYSKF-UHFFFAOYSA-N 0 0 535.007 3.713 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCc2ccncc2)cc1 ZINC000222794635 571398629 /nfs/dbraw/zinc/39/86/29/571398629.db2.gz GQVAORUECPKPIS-HXUWFJFHSA-N 0 0 543.089 3.700 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCCOCC)cc1 ZINC000222794886 571398588 /nfs/dbraw/zinc/39/85/88/571398588.db2.gz SCVNVYRSWHGHAG-FQEVSTJZSA-N 0 0 538.110 3.531 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCCOCC)cc1 ZINC000222794941 571398586 /nfs/dbraw/zinc/39/85/86/571398586.db2.gz SCVNVYRSWHGHAG-HXUWFJFHSA-N 0 0 538.110 3.531 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222795057 571398633 /nfs/dbraw/zinc/39/86/33/571398633.db2.gz UDIVRRQJYAZQLD-NRFANRHFSA-N 0 0 552.137 3.919 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCCOC(C)C)cc1 ZINC000222795118 571398725 /nfs/dbraw/zinc/39/87/25/571398725.db2.gz UDIVRRQJYAZQLD-OAQYLSRUSA-N 0 0 552.137 3.919 40 0 KHABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2C)cc(OC)c1OC ZINC000222796159 571398767 /nfs/dbraw/zinc/39/87/67/571398767.db2.gz BCFGUXCEKTYEQZ-UHFFFAOYSA-N 0 0 514.600 3.859 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222796296 571398859 /nfs/dbraw/zinc/39/88/59/571398859.db2.gz KTUJITPDLCUBNA-LJQANCHMSA-N 0 0 506.068 3.611 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222796355 571398804 /nfs/dbraw/zinc/39/88/04/571398804.db2.gz KTUJITPDLCUBNA-IBGZPJMESA-N 0 0 506.068 3.611 40 0 KHABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCSc1n[nH]c(-c2ccccc2)n1 ZINC000222797244 571398922 /nfs/dbraw/zinc/39/89/22/571398922.db2.gz KGHQBYXDIOMDSF-UHFFFAOYSA-N 0 0 523.640 3.868 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222797453 571398930 /nfs/dbraw/zinc/39/89/30/571398930.db2.gz KUFKHHRZLQUZFV-SFHVURJKSA-N 0 0 524.083 3.837 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222797560 571399020 /nfs/dbraw/zinc/39/90/20/571399020.db2.gz BFFQQJGWJBBTLE-SFHVURJKSA-N 0 0 524.083 3.837 40 0 KHABRN COCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222797611 571399055 /nfs/dbraw/zinc/39/90/55/571399055.db2.gz DPYAECQGEJDAOJ-OAQYLSRUSA-N 0 0 550.121 3.627 40 0 KHABRN COCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222797674 571399009 /nfs/dbraw/zinc/39/90/09/571399009.db2.gz DPYAECQGEJDAOJ-NRFANRHFSA-N 0 0 550.121 3.627 40 0 KHABRN Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000222798364 571399149 /nfs/dbraw/zinc/39/91/49/571399149.db2.gz JNCRDWWMAWPUOC-UHFFFAOYSA-N 0 0 507.612 3.978 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222798564 571399104 /nfs/dbraw/zinc/39/91/04/571399104.db2.gz MVRWULUJZMNZPI-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222799169 571399296 /nfs/dbraw/zinc/39/92/96/571399296.db2.gz WDBSUHOXDMTTRC-LJQANCHMSA-N 0 0 620.124 3.733 40 0 KHABRN C[C@@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222799174 571399276 /nfs/dbraw/zinc/39/92/76/571399276.db2.gz KOWKZNHGBABBFU-OFVILXPXSA-N 0 0 562.132 3.770 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222799232 571399219 /nfs/dbraw/zinc/39/92/19/571399219.db2.gz WDBSUHOXDMTTRC-IBGZPJMESA-N 0 0 620.124 3.733 40 0 KHABRN C[C@H](C(=O)NC[C@@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222799234 571399269 /nfs/dbraw/zinc/39/92/69/571399269.db2.gz KOWKZNHGBABBFU-BWKNWUBXSA-N 0 0 562.132 3.770 40 0 KHABRN C[C@@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222799302 571399196 /nfs/dbraw/zinc/39/91/96/571399196.db2.gz KOWKZNHGBABBFU-SQJMNOBHSA-N 0 0 562.132 3.770 40 0 KHABRN C[C@H](C(=O)NC[C@H]1CCCO1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222799365 571399251 /nfs/dbraw/zinc/39/92/51/571399251.db2.gz KOWKZNHGBABBFU-PXDATVDWSA-N 0 0 562.132 3.770 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000222799458 571399212 /nfs/dbraw/zinc/39/92/12/571399212.db2.gz YVINVKRTJHYATK-HXUWFJFHSA-N 0 0 527.618 3.501 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000222799521 571399377 /nfs/dbraw/zinc/39/93/77/571399377.db2.gz YVINVKRTJHYATK-FQEVSTJZSA-N 0 0 527.618 3.501 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222799602 571399314 /nfs/dbraw/zinc/39/93/14/571399314.db2.gz ZQCFMVONAKWAFJ-JOCHJYFZSA-N 0 0 583.707 3.688 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222799676 571399343 /nfs/dbraw/zinc/39/93/43/571399343.db2.gz ZQCFMVONAKWAFJ-QFIPXVFZSA-N 0 0 583.707 3.688 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)c2ccc(C)cc2)cc1 ZINC000222799832 571399333 /nfs/dbraw/zinc/39/93/33/571399333.db2.gz AYTHXLDBPNOSHA-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222800414 571399443 /nfs/dbraw/zinc/39/94/43/571399443.db2.gz STEPPFJCWZJZRT-LJQANCHMSA-N 0 0 560.072 3.716 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222800466 571399441 /nfs/dbraw/zinc/39/94/41/571399441.db2.gz STEPPFJCWZJZRT-IBGZPJMESA-N 0 0 560.072 3.716 40 0 KHABRN CCc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 ZINC000222800766 571399431 /nfs/dbraw/zinc/39/94/31/571399431.db2.gz OOSKWVRUUHNIST-NRFANRHFSA-N 0 0 523.655 3.616 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222800864 571399449 /nfs/dbraw/zinc/39/94/49/571399449.db2.gz ARCNNBPUASUIAE-HSZRJFAPSA-N 0 0 537.682 3.979 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000222800928 571399560 /nfs/dbraw/zinc/39/95/60/571399560.db2.gz ARCNNBPUASUIAE-QHCPKHFHSA-N 0 0 537.682 3.979 40 0 KHABRN COC(=O)[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)c2ccccc2O1 ZINC000222801055 571399623 /nfs/dbraw/zinc/39/96/23/571399623.db2.gz LGJUUORBAPYEIC-QHCPKHFHSA-N 0 0 530.986 3.795 40 0 KHABRN COC(=O)[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)c2ccccc2O1 ZINC000222801113 571399534 /nfs/dbraw/zinc/39/95/34/571399534.db2.gz LGJUUORBAPYEIC-HSZRJFAPSA-N 0 0 530.986 3.795 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222801383 571399581 /nfs/dbraw/zinc/39/95/81/571399581.db2.gz KWXMRIQHJRKMKC-LJQANCHMSA-N 0 0 530.046 3.707 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222801439 571399628 /nfs/dbraw/zinc/39/96/28/571399628.db2.gz KWXMRIQHJRKMKC-IBGZPJMESA-N 0 0 530.046 3.707 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000222801929 571399702 /nfs/dbraw/zinc/39/97/02/571399702.db2.gz IIQSJWWOUQQYGR-JOCHJYFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000222801994 571399666 /nfs/dbraw/zinc/39/96/66/571399666.db2.gz IIQSJWWOUQQYGR-QFIPXVFZSA-N 0 0 523.655 3.671 40 0 KHABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C)c1 ZINC000222802320 571399699 /nfs/dbraw/zinc/39/96/99/571399699.db2.gz GHHLQLPTULSKNI-UHFFFAOYSA-N 0 0 538.047 3.683 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000222802686 571399770 /nfs/dbraw/zinc/39/97/70/571399770.db2.gz ZPQFWNGLDHOOID-LJQANCHMSA-N 0 0 621.497 3.658 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000222802744 571399776 /nfs/dbraw/zinc/39/97/76/571399776.db2.gz ZPQFWNGLDHOOID-IBGZPJMESA-N 0 0 621.497 3.658 40 0 KHABRN COc1cc(CN(C)C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)cc(OC)c1OC ZINC000222802862 571399830 /nfs/dbraw/zinc/39/98/30/571399830.db2.gz GGPQPGRTKKAHMI-UHFFFAOYSA-N 0 0 532.590 3.998 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222803149 571399748 /nfs/dbraw/zinc/39/97/48/571399748.db2.gz HZQOHWIDPQIDDZ-LJQANCHMSA-N 0 0 560.072 3.716 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222803208 571399774 /nfs/dbraw/zinc/39/97/74/571399774.db2.gz HZQOHWIDPQIDDZ-IBGZPJMESA-N 0 0 560.072 3.716 40 0 KHABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(SC(C)C)s3)Oc3cc(C)ccc32)cc1 ZINC000222803442 571399753 /nfs/dbraw/zinc/39/97/53/571399753.db2.gz NBPGCZLVPDCQDU-IBGZPJMESA-N 0 0 520.658 3.951 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000222804463 571400029 /nfs/dbraw/zinc/40/00/29/571400029.db2.gz IIGHFIUUSQGATQ-CYBMUJFWSA-N 0 0 536.865 3.585 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000222804525 571400034 /nfs/dbraw/zinc/40/00/34/571400034.db2.gz IIGHFIUUSQGATQ-ZDUSSCGKSA-N 0 0 536.865 3.585 40 0 KHABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222805086 571400049 /nfs/dbraw/zinc/40/00/49/571400049.db2.gz DCQDRLSAZFUPDZ-KRWDZBQOSA-N 0 0 522.067 3.641 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222805904 571400066 /nfs/dbraw/zinc/40/00/66/571400066.db2.gz GJIUWYZPDIWWAF-FQEVSTJZSA-N 0 0 557.644 3.592 40 0 KHABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C ZINC000222805913 571400162 /nfs/dbraw/zinc/40/01/62/571400162.db2.gz WTZMFROGXDWXGR-UHFFFAOYSA-N 0 0 535.619 3.511 40 0 KHABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222806151 571400222 /nfs/dbraw/zinc/40/02/22/571400222.db2.gz XTVPTGOYLHTKOE-LJQANCHMSA-N 0 0 590.098 3.724 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222806220 571400191 /nfs/dbraw/zinc/40/01/91/571400191.db2.gz XTVPTGOYLHTKOE-IBGZPJMESA-N 0 0 590.098 3.724 40 0 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KHABRN CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222838131 571404142 /nfs/dbraw/zinc/40/41/42/571404142.db2.gz DOCFFNPLQOSAIX-JOCHJYFZSA-N 0 0 553.681 3.679 40 0 KHABRN CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222838198 571404177 /nfs/dbraw/zinc/40/41/77/571404177.db2.gz DOCFFNPLQOSAIX-QFIPXVFZSA-N 0 0 553.681 3.679 40 0 KHABRN Cc1nc(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)n[nH]1 ZINC000222838353 571404122 /nfs/dbraw/zinc/40/41/22/571404122.db2.gz MOQJJTFCDWPEMQ-UHFFFAOYSA-N 0 0 516.432 3.508 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222839285 571404329 /nfs/dbraw/zinc/40/43/29/571404329.db2.gz WVSDIZWDAQVKIJ-DEOSSOPVSA-N 0 0 517.692 3.917 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222839344 571404385 /nfs/dbraw/zinc/40/43/85/571404385.db2.gz WVSDIZWDAQVKIJ-XMMPIXPASA-N 0 0 517.692 3.917 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222839423 571404378 /nfs/dbraw/zinc/40/43/78/571404378.db2.gz QUADGUVMYPWSFB-DEOSSOPVSA-N 0 0 503.665 3.573 40 0 KHABRN NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000222839426 571404331 /nfs/dbraw/zinc/40/43/31/571404331.db2.gz WLBJIMMCKDWVFF-UHFFFAOYSA-N 0 0 508.383 3.840 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222839488 571404318 /nfs/dbraw/zinc/40/43/18/571404318.db2.gz QUADGUVMYPWSFB-XMMPIXPASA-N 0 0 503.665 3.573 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222841238 571404481 /nfs/dbraw/zinc/40/44/81/571404481.db2.gz HVMPHYOJXBOFKJ-VWLOTQADSA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222841299 571404459 /nfs/dbraw/zinc/40/44/59/571404459.db2.gz HVMPHYOJXBOFKJ-RUZDIDTESA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222841380 571404427 /nfs/dbraw/zinc/40/44/27/571404427.db2.gz SFNIQADGELVGAJ-VWLOTQADSA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222841444 571404440 /nfs/dbraw/zinc/40/44/40/571404440.db2.gz SFNIQADGELVGAJ-RUZDIDTESA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222842107 571404578 /nfs/dbraw/zinc/40/45/78/571404578.db2.gz FSCIQKVSHXLPDT-SANMLTNESA-N 0 0 525.671 3.801 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222842167 571404540 /nfs/dbraw/zinc/40/45/40/571404540.db2.gz FSCIQKVSHXLPDT-AREMUKBSSA-N 0 0 525.671 3.801 40 0 KHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)c(Cl)c1 ZINC000222842430 571404674 /nfs/dbraw/zinc/40/46/74/571404674.db2.gz MMXMPRFGOWOGAF-SANMLTNESA-N 0 0 572.083 3.908 40 0 KHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)c(Cl)c1 ZINC000222842495 571404645 /nfs/dbraw/zinc/40/46/45/571404645.db2.gz MMXMPRFGOWOGAF-AREMUKBSSA-N 0 0 572.083 3.908 40 0 KHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)c(Cl)c1 ZINC000222842582 571404657 /nfs/dbraw/zinc/40/46/57/571404657.db2.gz AOOIWMDYQBRJBK-MHZLTWQESA-N 0 0 586.110 3.950 40 0 KHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)c(Cl)c1 ZINC000222842645 571404671 /nfs/dbraw/zinc/40/46/71/571404671.db2.gz AOOIWMDYQBRJBK-HHHXNRCGSA-N 0 0 586.110 3.950 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222842871 571404651 /nfs/dbraw/zinc/40/46/51/571404651.db2.gz OSCVYSMRJZYUTM-DEOSSOPVSA-N 0 0 517.692 3.882 40 0 KHABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c(Cl)c1 ZINC000222842925 571404656 /nfs/dbraw/zinc/40/46/56/571404656.db2.gz GGGNTHIQZQVEDP-UHFFFAOYSA-N 0 0 508.040 3.601 40 0 KHABRN 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CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000222884791 571409554 /nfs/dbraw/zinc/40/95/54/571409554.db2.gz JIGMDMRPYIKEHP-QHCPKHFHSA-N 0 0 537.682 3.795 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222884908 571409523 /nfs/dbraw/zinc/40/95/23/571409523.db2.gz WZYVVKFESYLCBC-HNNXBMFYSA-N 0 0 516.010 3.716 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222884975 571409585 /nfs/dbraw/zinc/40/95/85/571409585.db2.gz WZYVVKFESYLCBC-OAHLLOKOSA-N 0 0 516.010 3.716 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222885136 571409652 /nfs/dbraw/zinc/40/96/52/571409652.db2.gz BYXUPUKTDCTLDW-MHZLTWQESA-N 0 0 535.666 3.760 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222885200 571409674 /nfs/dbraw/zinc/40/96/74/571409674.db2.gz BYXUPUKTDCTLDW-HHHXNRCGSA-N 0 0 535.666 3.760 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222885267 571409631 /nfs/dbraw/zinc/40/96/31/571409631.db2.gz HCCCYXCOYFCJKK-NDEPHWFRSA-N 0 0 549.693 3.803 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)NCCc3ccccc3)Oc3ccccc32)cc1 ZINC000222885327 571409696 /nfs/dbraw/zinc/40/96/96/571409696.db2.gz HCCCYXCOYFCJKK-MUUNZHRXSA-N 0 0 549.693 3.803 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000222885505 571409689 /nfs/dbraw/zinc/40/96/89/571409689.db2.gz JYCXRFWNSQRAJO-OAQYLSRUSA-N 0 0 511.619 3.535 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000222885579 571409632 /nfs/dbraw/zinc/40/96/32/571409632.db2.gz JYCXRFWNSQRAJO-NRFANRHFSA-N 0 0 511.619 3.535 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222885679 571409649 /nfs/dbraw/zinc/40/96/49/571409649.db2.gz YGSOBFUVVJUYTO-OAQYLSRUSA-N 0 0 511.619 3.535 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222885739 571409638 /nfs/dbraw/zinc/40/96/38/571409638.db2.gz YGSOBFUVVJUYTO-NRFANRHFSA-N 0 0 511.619 3.535 40 0 KHABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000222885808 571409640 /nfs/dbraw/zinc/40/96/40/571409640.db2.gz HKVXYCHCPQULKW-SFHVURJKSA-N 0 0 508.546 3.848 40 0 KHABRN COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000222885863 571409651 /nfs/dbraw/zinc/40/96/51/571409651.db2.gz HKVXYCHCPQULKW-GOSISDBHSA-N 0 0 508.546 3.848 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222885982 571409773 /nfs/dbraw/zinc/40/97/73/571409773.db2.gz IDDFSVOVVHZAFT-HSZRJFAPSA-N 0 0 537.682 3.713 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222886035 571409749 /nfs/dbraw/zinc/40/97/49/571409749.db2.gz IDDFSVOVVHZAFT-QHCPKHFHSA-N 0 0 537.682 3.713 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222887264 571409874 /nfs/dbraw/zinc/40/98/74/571409874.db2.gz VYZQGYPIIUWVQK-LJQANCHMSA-N 0 0 503.640 3.533 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222887316 571409880 /nfs/dbraw/zinc/40/98/80/571409880.db2.gz VYZQGYPIIUWVQK-IBGZPJMESA-N 0 0 503.640 3.533 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222887382 571409881 /nfs/dbraw/zinc/40/98/81/571409881.db2.gz DIMNSGYOVIIKQT-MHZLTWQESA-N 0 0 533.650 3.514 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222887436 571409853 /nfs/dbraw/zinc/40/98/53/571409853.db2.gz DIMNSGYOVIIKQT-HHHXNRCGSA-N 0 0 533.650 3.514 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222887514 571409852 /nfs/dbraw/zinc/40/98/52/571409852.db2.gz ZBXJJNBTQLZSDM-NDEPHWFRSA-N 0 0 547.677 3.557 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222887589 571409849 /nfs/dbraw/zinc/40/98/49/571409849.db2.gz ZBXJJNBTQLZSDM-MUUNZHRXSA-N 0 0 547.677 3.557 40 0 KHABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222888473 571409980 /nfs/dbraw/zinc/40/99/80/571409980.db2.gz UFAUJEUWKOKDLH-NRFANRHFSA-N 0 0 537.657 3.933 40 0 KHABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222888528 571409972 /nfs/dbraw/zinc/40/99/72/571409972.db2.gz UFAUJEUWKOKDLH-OAQYLSRUSA-N 0 0 537.657 3.933 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222888811 571409956 /nfs/dbraw/zinc/40/99/56/571409956.db2.gz KXTYSPXQWPXIIO-DEOSSOPVSA-N 0 0 517.692 3.917 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000222888881 571409985 /nfs/dbraw/zinc/40/99/85/571409985.db2.gz KXTYSPXQWPXIIO-XMMPIXPASA-N 0 0 517.692 3.917 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222888974 571409960 /nfs/dbraw/zinc/40/99/60/571409960.db2.gz XSKDGQLLWRVHEU-DEOSSOPVSA-N 0 0 503.665 3.573 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000222889040 571409977 /nfs/dbraw/zinc/40/99/77/571409977.db2.gz XSKDGQLLWRVHEU-XMMPIXPASA-N 0 0 503.665 3.573 40 0 KHABRN COc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222889232 571409991 /nfs/dbraw/zinc/40/99/91/571409991.db2.gz HBUGHJTUQAYHMB-OAQYLSRUSA-N 0 0 567.683 3.941 40 0 KHABRN COc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222889303 571409952 /nfs/dbraw/zinc/40/99/52/571409952.db2.gz HBUGHJTUQAYHMB-NRFANRHFSA-N 0 0 567.683 3.941 40 0 KHABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222889411 571409949 /nfs/dbraw/zinc/40/99/49/571409949.db2.gz IRRIRFYABACTRS-QFIPXVFZSA-N 0 0 551.684 3.975 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222889478 571409993 /nfs/dbraw/zinc/40/99/93/571409993.db2.gz PBXKMQWFRNWJGK-SFHVURJKSA-N 0 0 509.619 3.843 40 0 KHABRN C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222889488 571409974 /nfs/dbraw/zinc/40/99/74/571409974.db2.gz IRRIRFYABACTRS-JOCHJYFZSA-N 0 0 551.684 3.975 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C[C@@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222889509 571409987 /nfs/dbraw/zinc/40/99/87/571409987.db2.gz OZTHPJXRYWXLAT-NDEPHWFRSA-N 0 0 547.677 3.904 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000222889540 571409973 /nfs/dbraw/zinc/40/99/73/571409973.db2.gz PBXKMQWFRNWJGK-GOSISDBHSA-N 0 0 509.619 3.843 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 ZINC000222889565 571409945 /nfs/dbraw/zinc/40/99/45/571409945.db2.gz OZTHPJXRYWXLAT-MUUNZHRXSA-N 0 0 547.677 3.904 40 0 KHABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222889568 571409961 /nfs/dbraw/zinc/40/99/61/571409961.db2.gz LDZCHTVTFUBATQ-JOCHJYFZSA-N 0 0 581.710 3.984 40 0 KHABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000222889633 571410095 /nfs/dbraw/zinc/41/00/95/571410095.db2.gz LDZCHTVTFUBATQ-QFIPXVFZSA-N 0 0 581.710 3.984 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C[C@@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222889652 571410083 /nfs/dbraw/zinc/41/00/83/571410083.db2.gz SXQWRVFITVXOJM-LJAQVGFWSA-N 0 0 561.704 3.947 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21 ZINC000222889704 571410076 /nfs/dbraw/zinc/41/00/76/571410076.db2.gz SXQWRVFITVXOJM-GDLZYMKVSA-N 0 0 561.704 3.947 40 0 KHABRN COc1ccc(CCNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC ZINC000222889715 571410086 /nfs/dbraw/zinc/41/00/86/571410086.db2.gz KSZZHGYZDNNILC-JOCHJYFZSA-N 0 0 611.736 3.992 40 0 KHABRN COc1ccc(CCNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC ZINC000222889784 571410058 /nfs/dbraw/zinc/41/00/58/571410058.db2.gz KSZZHGYZDNNILC-QFIPXVFZSA-N 0 0 611.736 3.992 40 0 KHABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222889892 571410078 /nfs/dbraw/zinc/41/00/78/571410078.db2.gz ASRGMOMJYPKCAV-IBGZPJMESA-N 0 0 527.618 3.526 40 0 KHABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222889958 571410034 /nfs/dbraw/zinc/41/00/34/571410034.db2.gz ASRGMOMJYPKCAV-LJQANCHMSA-N 0 0 527.618 3.526 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222890692 571410127 /nfs/dbraw/zinc/41/01/27/571410127.db2.gz GAJAUSSDYUNCDC-VWLOTQADSA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000222890759 571410210 /nfs/dbraw/zinc/41/02/10/571410210.db2.gz GAJAUSSDYUNCDC-RUZDIDTESA-N 0 0 517.692 3.882 40 0 KHABRN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222890776 571410166 /nfs/dbraw/zinc/41/01/66/571410166.db2.gz ZDEZCFPQBKJCSD-FQEVSTJZSA-N 0 0 581.666 3.661 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222890822 571410145 /nfs/dbraw/zinc/41/01/45/571410145.db2.gz BVCKJMPZMOZJHT-VWLOTQADSA-N 0 0 517.692 3.882 40 0 KHABRN C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222890835 571410135 /nfs/dbraw/zinc/41/01/35/571410135.db2.gz ZDEZCFPQBKJCSD-HXUWFJFHSA-N 0 0 581.666 3.661 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000222890882 571410181 /nfs/dbraw/zinc/41/01/81/571410181.db2.gz BVCKJMPZMOZJHT-RUZDIDTESA-N 0 0 517.692 3.882 40 0 KHABRN CC(C)OCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891048 571410168 /nfs/dbraw/zinc/41/01/68/571410168.db2.gz SMVFCUWDLLSKFK-OAQYLSRUSA-N 0 0 547.693 3.548 40 0 KHABRN CC(C)OCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891110 571410204 /nfs/dbraw/zinc/41/02/04/571410204.db2.gz SMVFCUWDLLSKFK-NRFANRHFSA-N 0 0 547.693 3.548 40 0 KHABRN COc1ccccc1CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891213 571410157 /nfs/dbraw/zinc/41/01/57/571410157.db2.gz QCWJTOQCKZVVNN-OAQYLSRUSA-N 0 0 567.683 3.941 40 0 KHABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891273 571410148 /nfs/dbraw/zinc/41/01/48/571410148.db2.gz QCWJTOQCKZVVNN-NRFANRHFSA-N 0 0 567.683 3.941 40 0 KHABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891349 571410143 /nfs/dbraw/zinc/41/01/43/571410143.db2.gz FGNANGYHHNHNOR-HXUWFJFHSA-N 0 0 517.667 3.923 40 0 KHABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891414 571410133 /nfs/dbraw/zinc/41/01/33/571410133.db2.gz FGNANGYHHNHNOR-FQEVSTJZSA-N 0 0 517.667 3.923 40 0 KHABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891499 571410153 /nfs/dbraw/zinc/41/01/53/571410153.db2.gz JOGYLWVICOVRLM-HXUWFJFHSA-N 0 0 517.667 3.779 40 0 KHABRN CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222891557 571410195 /nfs/dbraw/zinc/41/01/95/571410195.db2.gz JOGYLWVICOVRLM-FQEVSTJZSA-N 0 0 517.667 3.779 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222891582 571410336 /nfs/dbraw/zinc/41/03/36/571410336.db2.gz LFRAPGALVUPEDN-SANMLTNESA-N 0 0 525.671 3.801 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222891650 571410258 /nfs/dbraw/zinc/41/02/58/571410258.db2.gz LFRAPGALVUPEDN-AREMUKBSSA-N 0 0 525.671 3.801 40 0 KHABRN O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2 ZINC000222891680 571410339 /nfs/dbraw/zinc/41/03/39/571410339.db2.gz TUVBSYLKLXEODH-UHFFFAOYSA-N 0 0 590.123 3.684 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222892378 571410320 /nfs/dbraw/zinc/41/03/20/571410320.db2.gz CEPOHEYVWGAGMF-DEOSSOPVSA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222892438 571410263 /nfs/dbraw/zinc/41/02/63/571410263.db2.gz CEPOHEYVWGAGMF-XMMPIXPASA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222892671 571410428 /nfs/dbraw/zinc/41/04/28/571410428.db2.gz VGPHGZPVJLPGQK-QHCPKHFHSA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000222892706 571410423 /nfs/dbraw/zinc/41/04/23/571410423.db2.gz VGPHGZPVJLPGQK-HSZRJFAPSA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222892801 571410482 /nfs/dbraw/zinc/41/04/82/571410482.db2.gz QQMVKDVJVGVYMF-VWLOTQADSA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000222892856 571410426 /nfs/dbraw/zinc/41/04/26/571410426.db2.gz QQMVKDVJVGVYMF-RUZDIDTESA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222892937 571410411 /nfs/dbraw/zinc/41/04/11/571410411.db2.gz SBWOFQROARXRJB-VWLOTQADSA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000222893005 571410409 /nfs/dbraw/zinc/41/04/09/571410409.db2.gz SBWOFQROARXRJB-RUZDIDTESA-N 0 0 533.691 3.582 40 0 KHABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC(C)C)S(C)(=O)=O ZINC000222893103 571410484 /nfs/dbraw/zinc/41/04/84/571410484.db2.gz DYUJCQFSSHYOAN-DEOSSOPVSA-N 0 0 547.718 3.972 40 0 KHABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000222893210 571410408 /nfs/dbraw/zinc/41/04/08/571410408.db2.gz VDIUNAVVEHHMJQ-SANMLTNESA-N 0 0 547.718 3.972 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222893425 571410472 /nfs/dbraw/zinc/41/04/72/571410472.db2.gz UNQGSLZBAQLLGU-HXUWFJFHSA-N 0 0 604.125 3.767 40 0 KHABRN COC(=O)CSc1nnc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)s1 ZINC000222893440 571410417 /nfs/dbraw/zinc/41/04/17/571410417.db2.gz IUCRUURZCHFYGS-FQEVSTJZSA-N 0 0 592.721 3.704 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222893501 571410424 /nfs/dbraw/zinc/41/04/24/571410424.db2.gz UNQGSLZBAQLLGU-FQEVSTJZSA-N 0 0 604.125 3.767 40 0 KHABRN COC(=O)CSc1nnc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccc(OC)cc3)c3cc(C(C)(C)C)ccc3O2)s1 ZINC000222893508 571410433 /nfs/dbraw/zinc/41/04/33/571410433.db2.gz IUCRUURZCHFYGS-HXUWFJFHSA-N 0 0 592.721 3.704 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000222893699 571410597 /nfs/dbraw/zinc/41/05/97/571410597.db2.gz WLXYWWJFETZMHZ-OAQYLSRUSA-N 0 0 511.619 3.535 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000222893758 571410633 /nfs/dbraw/zinc/41/06/33/571410633.db2.gz WLXYWWJFETZMHZ-NRFANRHFSA-N 0 0 511.619 3.535 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222893848 571410622 /nfs/dbraw/zinc/41/06/22/571410622.db2.gz PIBAMUQTMKWOSW-HSZRJFAPSA-N 0 0 567.708 3.722 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000222893905 571410590 /nfs/dbraw/zinc/41/05/90/571410590.db2.gz PIBAMUQTMKWOSW-QHCPKHFHSA-N 0 0 567.708 3.722 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)c2ccc(C)cc2)cc1 ZINC000222894058 571410587 /nfs/dbraw/zinc/41/05/87/571410587.db2.gz CAZUCJFTWRYBPN-QHCPKHFHSA-N 0 0 537.682 3.795 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222894079 571410625 /nfs/dbraw/zinc/41/06/25/571410625.db2.gz JKBXOOMOXLWKDJ-QHCPKHFHSA-N 0 0 521.655 3.713 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222894145 571410616 /nfs/dbraw/zinc/41/06/16/571410616.db2.gz JKBXOOMOXLWKDJ-HSZRJFAPSA-N 0 0 521.655 3.713 40 0 KHABRN Cc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)NCC1(c3ccccc3)CCOCC1)O2 ZINC000222894192 571410620 /nfs/dbraw/zinc/41/06/20/571410620.db2.gz PYAWZEBLPZZCPI-SANMLTNESA-N 0 0 506.624 3.816 40 0 KHABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222894517 571410755 /nfs/dbraw/zinc/41/07/55/571410755.db2.gz OQBADHAGYWHBOL-DEOSSOPVSA-N 0 0 539.645 3.852 40 0 KHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000222894584 571410715 /nfs/dbraw/zinc/41/07/15/571410715.db2.gz OQBADHAGYWHBOL-XMMPIXPASA-N 0 0 539.645 3.852 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222894695 571410747 /nfs/dbraw/zinc/41/07/47/571410747.db2.gz VEKNRTRBTDXXAD-HXUWFJFHSA-N 0 0 544.073 3.750 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222894761 571410678 /nfs/dbraw/zinc/41/06/78/571410678.db2.gz VEKNRTRBTDXXAD-FQEVSTJZSA-N 0 0 544.073 3.750 40 0 KHABRN CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 ZINC000222895034 571410671 /nfs/dbraw/zinc/41/06/71/571410671.db2.gz HXZSXNRETNGNSO-QFIPXVFZSA-N 0 0 507.656 3.650 40 0 KHABRN COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c2ccccc2O1 ZINC000222895045 571410742 /nfs/dbraw/zinc/41/07/42/571410742.db2.gz ZKGZZKMHFPNDDJ-SANMLTNESA-N 0 0 520.607 3.728 40 0 KHABRN COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c2ccccc2O1 ZINC000222895100 571410663 /nfs/dbraw/zinc/41/06/63/571410663.db2.gz ZKGZZKMHFPNDDJ-AREMUKBSSA-N 0 0 520.607 3.728 40 0 KHABRN CCSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)s1 ZINC000222895570 571410852 /nfs/dbraw/zinc/41/08/52/571410852.db2.gz IAUYDGFWNVIUTJ-UHFFFAOYSA-N 0 0 512.610 3.640 40 0 KHABRN CCOc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000222895585 571410786 /nfs/dbraw/zinc/41/07/86/571410786.db2.gz JBTHFQQYNQCJLE-QFIPXVFZSA-N 0 0 583.707 3.504 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222895683 571410789 /nfs/dbraw/zinc/41/07/89/571410789.db2.gz DPHXEYOYQNHMDD-HXUWFJFHSA-N 0 0 514.047 3.741 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000222895760 571410850 /nfs/dbraw/zinc/41/08/50/571410850.db2.gz DPHXEYOYQNHMDD-FQEVSTJZSA-N 0 0 514.047 3.741 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000222896250 571410843 /nfs/dbraw/zinc/41/08/43/571410843.db2.gz HJXXTGXRKRSEEA-HSZRJFAPSA-N 0 0 507.656 3.705 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000222896308 571410848 /nfs/dbraw/zinc/41/08/48/571410848.db2.gz HJXXTGXRKRSEEA-QHCPKHFHSA-N 0 0 507.656 3.705 40 0 KHABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000222896313 571410795 /nfs/dbraw/zinc/41/07/95/571410795.db2.gz XAVXSOQQJNATGG-UHFFFAOYSA-N 0 0 527.668 3.616 40 0 KHABRN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000222896406 571410974 /nfs/dbraw/zinc/41/09/74/571410974.db2.gz SLIBAOFAJMICAI-UHFFFAOYSA-N 0 0 541.695 3.958 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000222896985 571410955 /nfs/dbraw/zinc/41/09/55/571410955.db2.gz LYOKAQSFPHUOQJ-HXUWFJFHSA-N 0 0 605.498 3.692 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000222897052 571410999 /nfs/dbraw/zinc/41/09/99/571410999.db2.gz LYOKAQSFPHUOQJ-FQEVSTJZSA-N 0 0 605.498 3.692 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222897288 571410984 /nfs/dbraw/zinc/41/09/84/571410984.db2.gz FXWWJXBXJPAIDX-IBGZPJMESA-N 0 0 513.635 3.931 40 0 KHABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000222897358 571411004 /nfs/dbraw/zinc/41/10/04/571411004.db2.gz FXWWJXBXJPAIDX-LJQANCHMSA-N 0 0 513.635 3.931 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222897449 571410976 /nfs/dbraw/zinc/41/09/76/571410976.db2.gz ZAHKLPKYAGSDGH-HXUWFJFHSA-N 0 0 544.073 3.750 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222897514 571410977 /nfs/dbraw/zinc/41/09/77/571410977.db2.gz ZAHKLPKYAGSDGH-FQEVSTJZSA-N 0 0 544.073 3.750 40 0 KHABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)CCc4ccc(S(=O)(=O)NC5CC5)cc4)cc32)cc1 ZINC000222897534 571411096 /nfs/dbraw/zinc/41/10/96/571411096.db2.gz ALJDNTOBLWRCGJ-UHFFFAOYSA-N 0 0 519.623 3.910 40 0 KHABRN COc1ccccc1N(CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000222898247 571411129 /nfs/dbraw/zinc/41/11/29/571411129.db2.gz OCSBJPJRTWWXOY-IBGZPJMESA-N 0 0 521.655 3.713 40 0 KHABRN COc1cccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000222898347 571411086 /nfs/dbraw/zinc/41/10/86/571411086.db2.gz IRMFRYYEMWTSHG-IBGZPJMESA-N 0 0 521.655 3.713 40 0 KHABRN COc1ccc(N(CCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000222898447 571411146 /nfs/dbraw/zinc/41/11/46/571411146.db2.gz RHAMHEBCEWWVNJ-IBGZPJMESA-N 0 0 521.655 3.713 40 0 KHABRN CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000222898761 571411226 /nfs/dbraw/zinc/41/12/26/571411226.db2.gz AQXSBIJMOGZSOZ-CQSZACIVSA-N 0 0 520.866 3.619 40 0 KHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000222898824 571411195 /nfs/dbraw/zinc/41/11/95/571411195.db2.gz AQXSBIJMOGZSOZ-AWEZNQCLSA-N 0 0 520.866 3.619 40 0 KHABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000222899116 571411215 /nfs/dbraw/zinc/41/12/15/571411215.db2.gz DTAXPWOBBMBGDJ-SFHVURJKSA-N 0 0 509.619 3.843 40 0 KHABRN 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CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000222946547 571415906 /nfs/dbraw/zinc/41/59/06/571415906.db2.gz YHZWSJKGBGSPHO-HSZRJFAPSA-N 0 0 551.709 3.702 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000222946621 571415891 /nfs/dbraw/zinc/41/58/91/571415891.db2.gz ODMVZCPEZXTCOI-QHCPKHFHSA-N 0 0 581.735 3.711 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000222946643 571415936 /nfs/dbraw/zinc/41/59/36/571415936.db2.gz OXRSPBIGVMMLBY-SANMLTNESA-N 0 0 523.655 3.585 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000222946669 571416034 /nfs/dbraw/zinc/41/60/34/571416034.db2.gz ODMVZCPEZXTCOI-HSZRJFAPSA-N 0 0 581.735 3.711 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000222946708 571416072 /nfs/dbraw/zinc/41/60/72/571416072.db2.gz OXRSPBIGVMMLBY-AREMUKBSSA-N 0 0 523.655 3.585 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000222946752 571416013 /nfs/dbraw/zinc/41/60/13/571416013.db2.gz GOMYEDLHQSLOBQ-QHCPKHFHSA-N 0 0 611.761 3.719 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000222946810 571416079 /nfs/dbraw/zinc/41/60/79/571416079.db2.gz GOMYEDLHQSLOBQ-HSZRJFAPSA-N 0 0 611.761 3.719 40 0 KHABRN CS(=O)(=O)N(CCCC(=O)NCc1nc(-c2cccc(Br)c2)no1)c1ccc(F)c(F)c1 ZINC000222946907 571416081 /nfs/dbraw/zinc/41/60/81/571416081.db2.gz RYFSAXACPWZNNX-UHFFFAOYSA-N 0 0 529.363 3.640 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000222947068 571415984 /nfs/dbraw/zinc/41/59/84/571415984.db2.gz HKLDKZDHDZZKAP-SANMLTNESA-N 0 0 541.645 3.973 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222947150 571416017 /nfs/dbraw/zinc/41/60/17/571416017.db2.gz JWMMYTFTEFFJDL-VWLOTQADSA-N 0 0 527.618 3.583 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000222947203 571415988 /nfs/dbraw/zinc/41/59/88/571415988.db2.gz JWMMYTFTEFFJDL-RUZDIDTESA-N 0 0 527.618 3.583 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC)c2ccc(F)cc2)cc1 ZINC000222947482 571416180 /nfs/dbraw/zinc/41/61/80/571416180.db2.gz AJTKVPDPDIBXGE-SANMLTNESA-N 0 0 541.645 3.973 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222948543 571416269 /nfs/dbraw/zinc/41/62/69/571416269.db2.gz XDJIHAPRMGOSRZ-QFIPXVFZSA-N 0 0 567.708 3.668 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222948561 571416239 /nfs/dbraw/zinc/41/62/39/571416239.db2.gz GFVIPDKEEKVMMM-OAQYLSRUSA-N 0 0 541.645 3.891 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCc2ccccc2OC)cc1 ZINC000222948602 571416201 /nfs/dbraw/zinc/41/62/01/571416201.db2.gz XDJIHAPRMGOSRZ-JOCHJYFZSA-N 0 0 567.708 3.668 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222948626 571416204 /nfs/dbraw/zinc/41/62/04/571416204.db2.gz GFVIPDKEEKVMMM-NRFANRHFSA-N 0 0 541.645 3.891 40 0 KHABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222948678 571416212 /nfs/dbraw/zinc/41/62/12/571416212.db2.gz IANQDJIVMGCYKL-OAQYLSRUSA-N 0 0 517.692 3.650 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222948710 571416276 /nfs/dbraw/zinc/41/62/76/571416276.db2.gz ZMNFXUMUAWGWBM-OAQYLSRUSA-N 0 0 541.645 3.891 40 0 KHABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000222948740 571416229 /nfs/dbraw/zinc/41/62/29/571416229.db2.gz IANQDJIVMGCYKL-NRFANRHFSA-N 0 0 517.692 3.650 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000222948782 571416220 /nfs/dbraw/zinc/41/62/20/571416220.db2.gz ZMNFXUMUAWGWBM-NRFANRHFSA-N 0 0 541.645 3.891 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000222948818 571416280 /nfs/dbraw/zinc/41/62/80/571416280.db2.gz SVPGUVABXYXFHN-NRFANRHFSA-N 0 0 517.692 3.506 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCCC(C)C)cc1 ZINC000222948872 571416274 /nfs/dbraw/zinc/41/62/74/571416274.db2.gz SVPGUVABXYXFHN-OAQYLSRUSA-N 0 0 517.692 3.506 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222949320 571416302 /nfs/dbraw/zinc/41/63/02/571416302.db2.gz WCZGITLQLQEZDJ-OAQYLSRUSA-N 0 0 571.671 3.900 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000222949374 571416312 /nfs/dbraw/zinc/41/63/12/571416312.db2.gz WCZGITLQLQEZDJ-NRFANRHFSA-N 0 0 571.671 3.900 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222949445 571416369 /nfs/dbraw/zinc/41/63/69/571416369.db2.gz FMPKUZSCBGWPNH-OAQYLSRUSA-N 0 0 571.671 3.900 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000222949506 571416326 /nfs/dbraw/zinc/41/63/26/571416326.db2.gz FMPKUZSCBGWPNH-NRFANRHFSA-N 0 0 571.671 3.900 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222949542 571416374 /nfs/dbraw/zinc/41/63/74/571416374.db2.gz GCFAMTQZYRMYFB-JOCHJYFZSA-N 0 0 529.703 3.746 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222949603 571416289 /nfs/dbraw/zinc/41/62/89/571416289.db2.gz GCFAMTQZYRMYFB-QFIPXVFZSA-N 0 0 529.703 3.746 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000222949685 571416359 /nfs/dbraw/zinc/41/63/59/571416359.db2.gz HQAXLGGJDCTGDS-QFIPXVFZSA-N 0 0 529.703 3.602 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000222949742 571416324 /nfs/dbraw/zinc/41/63/24/571416324.db2.gz HQAXLGGJDCTGDS-JOCHJYFZSA-N 0 0 529.703 3.602 40 0 KHABRN 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ZINC000223057991 571426812 /nfs/dbraw/zinc/42/68/12/571426812.db2.gz CZZNYBOVDJKKMP-JKSUJKDBSA-N 0 0 516.010 3.716 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223059632 571426889 /nfs/dbraw/zinc/42/68/89/571426889.db2.gz GGVAHWKSOSANPN-RTBURBONSA-N 0 0 552.093 3.947 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223059688 571426950 /nfs/dbraw/zinc/42/69/50/571426950.db2.gz GGVAHWKSOSANPN-RBUKOAKNSA-N 0 0 552.093 3.947 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223060778 571426953 /nfs/dbraw/zinc/42/69/53/571426953.db2.gz OGJSXSHCVOXXNR-MRXNPFEDSA-N 0 0 589.350 3.839 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223060844 571426919 /nfs/dbraw/zinc/42/69/19/571426919.db2.gz OGJSXSHCVOXXNR-INIZCTEOSA-N 0 0 589.350 3.839 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223061077 571426990 /nfs/dbraw/zinc/42/69/90/571426990.db2.gz BPWRKEBGKAKSHB-CQSZACIVSA-N 0 0 548.862 3.561 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223061137 571426977 /nfs/dbraw/zinc/42/69/77/571426977.db2.gz BPWRKEBGKAKSHB-AWEZNQCLSA-N 0 0 548.862 3.561 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223061395 571426992 /nfs/dbraw/zinc/42/69/92/571426992.db2.gz LNZIRYHJKQNOOL-LJQANCHMSA-N 0 0 538.508 3.857 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223061456 571426986 /nfs/dbraw/zinc/42/69/86/571426986.db2.gz LNZIRYHJKQNOOL-IBGZPJMESA-N 0 0 538.508 3.857 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223061530 571426981 /nfs/dbraw/zinc/42/69/81/571426981.db2.gz RFCVVHVLVOBHLQ-LJQANCHMSA-N 0 0 538.508 3.857 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223061585 571427017 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ZINC000223062221 571427030 /nfs/dbraw/zinc/42/70/30/571427030.db2.gz PTIOANCBMJOYBE-NHCUHLMSSA-N 0 0 537.126 3.902 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223062286 571427007 /nfs/dbraw/zinc/42/70/07/571427007.db2.gz PTIOANCBMJOYBE-LEWJYISDSA-N 0 0 537.126 3.902 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223063355 571427089 /nfs/dbraw/zinc/42/70/89/571427089.db2.gz ZXSCOQDARAGQDT-LJQANCHMSA-N 0 0 524.083 3.757 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223063414 571427051 /nfs/dbraw/zinc/42/70/51/571427051.db2.gz ZXSCOQDARAGQDT-IBGZPJMESA-N 0 0 524.083 3.757 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223063554 571427103 /nfs/dbraw/zinc/42/71/03/571427103.db2.gz JSYBWNNMXGRKAU-HXUWFJFHSA-N 0 0 616.534 3.969 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223063618 571427145 /nfs/dbraw/zinc/42/71/45/571427145.db2.gz JSYBWNNMXGRKAU-FQEVSTJZSA-N 0 0 616.534 3.969 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223064254 571427213 /nfs/dbraw/zinc/42/72/13/571427213.db2.gz RVPSHKHYCBNPDL-LJQANCHMSA-N 0 0 524.083 3.757 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223064322 571427239 /nfs/dbraw/zinc/42/72/39/571427239.db2.gz RVPSHKHYCBNPDL-IBGZPJMESA-N 0 0 524.083 3.757 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223064864 571427320 /nfs/dbraw/zinc/42/73/20/571427320.db2.gz COMFKUDULWPOPU-LJQANCHMSA-N 0 0 538.508 3.857 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223064921 571427340 /nfs/dbraw/zinc/42/73/40/571427340.db2.gz COMFKUDULWPOPU-IBGZPJMESA-N 0 0 538.508 3.857 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223065829 571427419 /nfs/dbraw/zinc/42/74/19/571427419.db2.gz HXCGVVXIJJKHSQ-SANMLTNESA-N 0 0 523.655 3.752 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223065893 571427430 /nfs/dbraw/zinc/42/74/30/571427430.db2.gz HXCGVVXIJJKHSQ-AREMUKBSSA-N 0 0 523.655 3.752 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000223065972 571427374 /nfs/dbraw/zinc/42/73/74/571427374.db2.gz NOJTXOPSHAXTQW-SANMLTNESA-N 0 0 523.655 3.752 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1 ZINC000223066039 571427396 /nfs/dbraw/zinc/42/73/96/571427396.db2.gz NOJTXOPSHAXTQW-AREMUKBSSA-N 0 0 523.655 3.752 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223066313 571427434 /nfs/dbraw/zinc/42/74/34/571427434.db2.gz XPXVKCYWPBDUIG-VWLOTQADSA-N 0 0 553.681 3.761 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223066370 571427406 /nfs/dbraw/zinc/42/74/06/571427406.db2.gz XPXVKCYWPBDUIG-RUZDIDTESA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223066532 571427506 /nfs/dbraw/zinc/42/75/06/571427506.db2.gz ROPOFJBXSAPROQ-QGZVFWFLSA-N 0 0 542.471 3.688 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223066599 571427479 /nfs/dbraw/zinc/42/74/79/571427479.db2.gz ROPOFJBXSAPROQ-KRWDZBQOSA-N 0 0 542.471 3.688 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223066614 571427490 /nfs/dbraw/zinc/42/74/90/571427490.db2.gz NYBVCTZIZZKEGE-VWLOTQADSA-N 0 0 553.681 3.761 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223066673 571427480 /nfs/dbraw/zinc/42/74/80/571427480.db2.gz NYBVCTZIZZKEGE-RUZDIDTESA-N 0 0 553.681 3.761 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000223066890 571427510 /nfs/dbraw/zinc/42/75/10/571427510.db2.gz ZEQATTQTRYSFNO-DEOSSOPVSA-N 0 0 511.619 3.883 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000223066955 571427451 /nfs/dbraw/zinc/42/74/51/571427451.db2.gz ZEQATTQTRYSFNO-XMMPIXPASA-N 0 0 511.619 3.883 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223067034 571427503 /nfs/dbraw/zinc/42/75/03/571427503.db2.gz OHCLLHYSUBDLRI-VWLOTQADSA-N 0 0 511.619 3.883 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223067107 571427513 /nfs/dbraw/zinc/42/75/13/571427513.db2.gz OHCLLHYSUBDLRI-RUZDIDTESA-N 0 0 511.619 3.883 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223068179 571427725 /nfs/dbraw/zinc/42/77/25/571427725.db2.gz FGLUKZDWARMRDN-LJQANCHMSA-N 0 0 585.508 3.699 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223068248 571427668 /nfs/dbraw/zinc/42/76/68/571427668.db2.gz FGLUKZDWARMRDN-IBGZPJMESA-N 0 0 585.508 3.699 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000223068304 571427707 /nfs/dbraw/zinc/42/77/07/571427707.db2.gz SFDYBJKPASEFOI-DEOSSOPVSA-N 0 0 523.655 3.752 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1 ZINC000223068369 571427726 /nfs/dbraw/zinc/42/77/26/571427726.db2.gz SFDYBJKPASEFOI-XMMPIXPASA-N 0 0 523.655 3.752 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223070707 571427937 /nfs/dbraw/zinc/42/79/37/571427937.db2.gz UGXHOMBYQXHWOS-FQEVSTJZSA-N 0 0 517.692 3.917 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223071008 571428027 /nfs/dbraw/zinc/42/80/27/571428027.db2.gz YYXKLOHFYQFIRI-KRWDZBQOSA-N 0 0 554.507 3.556 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223071092 571428034 /nfs/dbraw/zinc/42/80/34/571428034.db2.gz JXKVIZKHRVPQLY-KRWDZBQOSA-N 0 0 554.507 3.556 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223071796 571428111 /nfs/dbraw/zinc/42/81/11/571428111.db2.gz NWHSTMFWBFNOHZ-KRWDZBQOSA-N 0 0 543.608 3.812 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223071834 571428109 /nfs/dbraw/zinc/42/81/09/571428109.db2.gz XIWPOHVGRBUIMV-GOSISDBHSA-N 0 0 512.047 3.887 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223071842 571428138 /nfs/dbraw/zinc/42/81/38/571428138.db2.gz DYNRXGSRFLEXOX-QZTJIDSGSA-N 0 0 520.051 3.597 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223071891 571428122 /nfs/dbraw/zinc/42/81/22/571428122.db2.gz XIWPOHVGRBUIMV-SFHVURJKSA-N 0 0 512.047 3.887 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223071892 571428144 /nfs/dbraw/zinc/42/81/44/571428144.db2.gz DYNRXGSRFLEXOX-ZWKOTPCHSA-N 0 0 520.051 3.597 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223071961 571428119 /nfs/dbraw/zinc/42/81/19/571428119.db2.gz DYNRXGSRFLEXOX-MSOLQXFVSA-N 0 0 520.051 3.597 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223072029 571428136 /nfs/dbraw/zinc/42/81/36/571428136.db2.gz DYNRXGSRFLEXOX-ROUUACIJSA-N 0 0 520.051 3.597 40 0 KHABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN(c4cc(C)ccc4C)S(C)(=O)=O)cc3)CC2)cc1 ZINC000223072211 571428107 /nfs/dbraw/zinc/42/81/07/571428107.db2.gz UCVAXPDSFJPWGO-UHFFFAOYSA-N 0 0 555.722 3.725 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223072296 571428113 /nfs/dbraw/zinc/42/81/13/571428113.db2.gz GKUGPMRNNSWHIT-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223072391 571428128 /nfs/dbraw/zinc/42/81/28/571428128.db2.gz NKCGOSDMYZFCIV-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223072473 571428127 /nfs/dbraw/zinc/42/81/27/571428127.db2.gz UEKKWGQLOHTUSR-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000223072548 571428108 /nfs/dbraw/zinc/42/81/08/571428108.db2.gz LNEAPODEHPNGCC-GOSISDBHSA-N 0 0 538.508 3.892 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223072571 571428126 /nfs/dbraw/zinc/42/81/26/571428126.db2.gz NZYLJVASWJIVLX-SFHVURJKSA-N 0 0 524.083 3.755 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000223072609 571428096 /nfs/dbraw/zinc/42/80/96/571428096.db2.gz LNEAPODEHPNGCC-SFHVURJKSA-N 0 0 538.508 3.892 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223072701 571428245 /nfs/dbraw/zinc/42/82/45/571428245.db2.gz JIIIIDPRHUZICE-GOSISDBHSA-N 0 0 524.481 3.549 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223072763 571428214 /nfs/dbraw/zinc/42/82/14/571428214.db2.gz JIIIIDPRHUZICE-SFHVURJKSA-N 0 0 524.481 3.549 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223073047 571428226 /nfs/dbraw/zinc/42/82/26/571428226.db2.gz MXSPPNNQYBWEEC-KRWDZBQOSA-N 0 0 554.507 3.556 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223073130 571428215 /nfs/dbraw/zinc/42/82/15/571428215.db2.gz LRWSJUQCYNBFCL-FQEVSTJZSA-N 0 0 525.671 3.946 40 0 KHABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223073267 571428227 /nfs/dbraw/zinc/42/82/27/571428227.db2.gz SCLNVWUPLDWEOO-NDEPHWFRSA-N 0 0 520.073 3.971 40 0 KHABRN O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000223073321 571428191 /nfs/dbraw/zinc/42/81/91/571428191.db2.gz SCLNVWUPLDWEOO-MUUNZHRXSA-N 0 0 520.073 3.971 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223073668 571428317 /nfs/dbraw/zinc/42/83/17/571428317.db2.gz PSBLHVKJTSBDBJ-IAGOWNOFSA-N 0 0 514.475 3.946 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223073731 571428322 /nfs/dbraw/zinc/42/83/22/571428322.db2.gz PSBLHVKJTSBDBJ-DLBZAZTESA-N 0 0 514.475 3.946 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000223074942 571428395 /nfs/dbraw/zinc/42/83/95/571428395.db2.gz MCTYTUYUTOORFK-LJQANCHMSA-N 0 0 538.508 3.857 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000223075005 571428454 /nfs/dbraw/zinc/42/84/54/571428454.db2.gz MCTYTUYUTOORFK-IBGZPJMESA-N 0 0 538.508 3.857 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223075097 571428439 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571429349 /nfs/dbraw/zinc/42/93/49/571429349.db2.gz BJVAJESRTGEDMG-RUZDIDTESA-N 0 0 553.681 3.761 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223085207 571429336 /nfs/dbraw/zinc/42/93/36/571429336.db2.gz IUZXCROUWMOQDK-VWLOTQADSA-N 0 0 613.733 3.778 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223085248 571429323 /nfs/dbraw/zinc/42/93/23/571429323.db2.gz IUZXCROUWMOQDK-RUZDIDTESA-N 0 0 613.733 3.778 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223085327 571429321 /nfs/dbraw/zinc/42/93/21/571429321.db2.gz BSOFOMQBZGZXOF-VWLOTQADSA-N 0 0 569.655 3.654 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223085376 571429329 /nfs/dbraw/zinc/42/93/29/571429329.db2.gz BSOFOMQBZGZXOF-RUZDIDTESA-N 0 0 569.655 3.654 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223085551 571429341 /nfs/dbraw/zinc/42/93/41/571429341.db2.gz AALJKUFGNQTGED-FQEVSTJZSA-N 0 0 517.692 3.917 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223085630 571429468 /nfs/dbraw/zinc/42/94/68/571429468.db2.gz ZDJJDJSVOQDYOD-FQEVSTJZSA-N 0 0 503.665 3.573 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223085929 571429420 /nfs/dbraw/zinc/42/94/20/571429420.db2.gz MTDMGQYPCPWEHO-IBGZPJMESA-N 0 0 500.448 3.621 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223085987 571429491 /nfs/dbraw/zinc/42/94/91/571429491.db2.gz MTDMGQYPCPWEHO-LJQANCHMSA-N 0 0 500.448 3.621 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223086552 571429477 /nfs/dbraw/zinc/42/94/77/571429477.db2.gz WHDIVTVDIGEMBW-MHZLTWQESA-N 0 0 537.682 3.893 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223086608 571429455 /nfs/dbraw/zinc/42/94/55/571429455.db2.gz WHDIVTVDIGEMBW-HHHXNRCGSA-N 0 0 537.682 3.893 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223086837 571429480 /nfs/dbraw/zinc/42/94/80/571429480.db2.gz FSZLPGPMSJMQLM-VWLOTQADSA-N 0 0 511.619 3.883 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223086881 571429598 /nfs/dbraw/zinc/42/95/98/571429598.db2.gz FSZLPGPMSJMQLM-RUZDIDTESA-N 0 0 511.619 3.883 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223087051 571429578 /nfs/dbraw/zinc/42/95/78/571429578.db2.gz SIVNQJKHAYPBPZ-SANMLTNESA-N 0 0 541.645 3.891 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223087110 571429597 /nfs/dbraw/zinc/42/95/97/571429597.db2.gz SIVNQJKHAYPBPZ-AREMUKBSSA-N 0 0 541.645 3.891 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223087343 571429602 /nfs/dbraw/zinc/42/96/02/571429602.db2.gz MWAPJPUKXMBNMP-JOCHJYFZSA-N 0 0 517.692 3.883 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223087406 571429616 /nfs/dbraw/zinc/42/96/16/571429616.db2.gz MWAPJPUKXMBNMP-QFIPXVFZSA-N 0 0 517.692 3.883 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223087491 571429610 /nfs/dbraw/zinc/42/96/10/571429610.db2.gz WVWHZPMSZSCAGC-JOCHJYFZSA-N 0 0 517.692 3.883 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223087559 571429601 /nfs/dbraw/zinc/42/96/01/571429601.db2.gz WVWHZPMSZSCAGC-QFIPXVFZSA-N 0 0 517.692 3.883 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223087631 571429600 /nfs/dbraw/zinc/42/96/00/571429600.db2.gz QTOXUNGTBUIUIJ-NRFANRHFSA-N 0 0 517.692 3.882 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223087647 571429583 /nfs/dbraw/zinc/42/95/83/571429583.db2.gz LINQSDQYGSDIEG-JOCHJYFZSA-N 0 0 517.692 3.883 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223087677 571429572 /nfs/dbraw/zinc/42/95/72/571429572.db2.gz XLYOHWAVSHOTBO-NRFANRHFSA-N 0 0 517.692 3.882 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223087718 571429740 /nfs/dbraw/zinc/42/97/40/571429740.db2.gz LINQSDQYGSDIEG-QFIPXVFZSA-N 0 0 517.692 3.883 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223088038 571429702 /nfs/dbraw/zinc/42/97/02/571429702.db2.gz GRPBYPADYRTCTL-VWLOTQADSA-N 0 0 551.665 3.515 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223088093 571429655 /nfs/dbraw/zinc/42/96/55/571429655.db2.gz GRPBYPADYRTCTL-RUZDIDTESA-N 0 0 551.665 3.515 40 0 KHABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223088134 571429672 /nfs/dbraw/zinc/42/96/72/571429672.db2.gz VLCVECRUKXNYRK-FQEVSTJZSA-N 0 0 525.671 3.801 40 0 KHABRN CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O ZINC000223088242 571429739 /nfs/dbraw/zinc/42/97/39/571429739.db2.gz HAJRKOCRFFLIAX-UHFFFAOYSA-N 0 0 527.828 3.573 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223088682 571429754 /nfs/dbraw/zinc/42/97/54/571429754.db2.gz WZAOHOALNXTEAH-NRFANRHFSA-N 0 0 517.692 3.882 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223088826 571429759 /nfs/dbraw/zinc/42/97/59/571429759.db2.gz TUGZGFMVMDFNEB-JOCHJYFZSA-N 0 0 545.702 3.646 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223088861 571429794 /nfs/dbraw/zinc/42/97/94/571429794.db2.gz PZSATXPHBRZEHF-FQEVSTJZSA-N 0 0 533.691 3.582 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223088885 571429768 /nfs/dbraw/zinc/42/97/68/571429768.db2.gz TUGZGFMVMDFNEB-QFIPXVFZSA-N 0 0 545.702 3.646 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223088952 571429777 /nfs/dbraw/zinc/42/97/77/571429777.db2.gz UJGVWWWYDDKHIW-FQEVSTJZSA-N 0 0 533.691 3.582 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223089024 571429826 /nfs/dbraw/zinc/42/98/26/571429826.db2.gz MWWIJGDXRDXUFN-FQEVSTJZSA-N 0 0 533.691 3.582 40 0 KHABRN CCOc1ccccc1N(CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000223089125 571429795 /nfs/dbraw/zinc/42/97/95/571429795.db2.gz AXTBGIJZDKYFCV-NRFANRHFSA-N 0 0 547.718 3.972 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223089159 571429801 /nfs/dbraw/zinc/42/98/01/571429801.db2.gz IJAWDCZIBRQUPB-QFIPXVFZSA-N 0 0 524.083 3.757 40 0 KHABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000223089206 571429928 /nfs/dbraw/zinc/42/99/28/571429928.db2.gz PFDKZBWJRNCLTF-NRFANRHFSA-N 0 0 547.718 3.972 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223089207 571429951 /nfs/dbraw/zinc/42/99/51/571429951.db2.gz IJAWDCZIBRQUPB-JOCHJYFZSA-N 0 0 524.083 3.757 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000223089483 571429986 /nfs/dbraw/zinc/42/99/86/571429986.db2.gz FJVNSQXYJROZAL-UHFFFAOYSA-N 0 0 512.632 3.819 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223089552 571429933 /nfs/dbraw/zinc/42/99/33/571429933.db2.gz DFIWPPBDZXWDQT-IBGZPJMESA-N 0 0 521.655 3.713 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223089837 571429890 /nfs/dbraw/zinc/42/98/90/571429890.db2.gz AKTSGZTZYYVBKE-SFHVURJKSA-N 0 0 539.645 3.852 40 0 KHABRN 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571446013 /nfs/dbraw/zinc/44/60/13/571446013.db2.gz LVHPLGIVVVNBAJ-LJQANCHMSA-N 0 0 537.963 3.817 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223213691 571446014 /nfs/dbraw/zinc/44/60/14/571446014.db2.gz OKEGBQVNQJTIRQ-VWLOTQADSA-N 0 0 527.618 3.937 40 0 KHABRN CCOC(=O)c1c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)sc2c1CCCC2 ZINC000223213712 571446018 /nfs/dbraw/zinc/44/60/18/571446018.db2.gz KSVSSTHAPVOLNC-UHFFFAOYSA-N 0 0 522.645 3.760 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223213755 571446007 /nfs/dbraw/zinc/44/60/07/571446007.db2.gz OKEGBQVNQJTIRQ-RUZDIDTESA-N 0 0 527.618 3.937 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223214155 571446025 /nfs/dbraw/zinc/44/60/25/571446025.db2.gz VFWGALCXDNANBY-HHHXNRCGSA-N 0 0 521.683 3.700 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223214212 571445997 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571446236 /nfs/dbraw/zinc/44/62/36/571446236.db2.gz ZYVLERWKSWECIW-VWLOTQADSA-N 0 0 527.618 3.583 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223214865 571446201 /nfs/dbraw/zinc/44/62/01/571446201.db2.gz ZYVLERWKSWECIW-RUZDIDTESA-N 0 0 527.618 3.583 40 0 KHABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223215947 571446289 /nfs/dbraw/zinc/44/62/89/571446289.db2.gz VSTLLCSEEVPUFW-QFIPXVFZSA-N 0 0 513.660 3.642 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223215965 571446312 /nfs/dbraw/zinc/44/63/12/571446312.db2.gz TZQRHTBZHAHPOD-HHHXNRCGSA-N 0 0 554.688 3.523 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223215993 571446261 /nfs/dbraw/zinc/44/62/61/571446261.db2.gz JAYKSQNDKSSMLM-SANMLTNESA-N 0 0 541.645 3.891 40 0 KHABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223216005 571446285 /nfs/dbraw/zinc/44/62/85/571446285.db2.gz VSTLLCSEEVPUFW-JOCHJYFZSA-N 0 0 513.660 3.642 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223216024 571446283 /nfs/dbraw/zinc/44/62/83/571446283.db2.gz TZQRHTBZHAHPOD-MHZLTWQESA-N 0 0 554.688 3.523 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223216050 571446257 /nfs/dbraw/zinc/44/62/57/571446257.db2.gz JAYKSQNDKSSMLM-AREMUKBSSA-N 0 0 541.645 3.891 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)c2ccccc2)cc1 ZINC000223216238 571446398 /nfs/dbraw/zinc/44/63/98/571446398.db2.gz UHZRKLLGSVPVPD-SANMLTNESA-N 0 0 541.645 3.973 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223216915 571446400 /nfs/dbraw/zinc/44/64/00/571446400.db2.gz PDWVINXVDZQRHC-SANMLTNESA-N 0 0 601.697 3.990 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223216948 571446455 /nfs/dbraw/zinc/44/64/55/571446455.db2.gz DORUUGVENARKJK-AREMUKBSSA-N 0 0 547.677 3.696 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223217010 571446449 /nfs/dbraw/zinc/44/64/49/571446449.db2.gz DORUUGVENARKJK-SANMLTNESA-N 0 0 547.677 3.696 40 0 KHABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223217261 571446465 /nfs/dbraw/zinc/44/64/65/571446465.db2.gz ODNFTXAZNYCKDG-QFIPXVFZSA-N 0 0 508.084 3.991 40 0 KHABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223217313 571446538 /nfs/dbraw/zinc/44/65/38/571446538.db2.gz ODNFTXAZNYCKDG-JOCHJYFZSA-N 0 0 508.084 3.991 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223217593 571446488 /nfs/dbraw/zinc/44/64/88/571446488.db2.gz XNHWBPOUCDHMRI-DEOSSOPVSA-N 0 0 541.645 3.891 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223217684 571446473 /nfs/dbraw/zinc/44/64/73/571446473.db2.gz XNHWBPOUCDHMRI-XMMPIXPASA-N 0 0 541.645 3.891 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000223217876 571446615 /nfs/dbraw/zinc/44/66/15/571446615.db2.gz GZLCMUZBEMTTSE-DEOSSOPVSA-N 0 0 557.644 3.592 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000223217929 571446601 /nfs/dbraw/zinc/44/66/01/571446601.db2.gz GZLCMUZBEMTTSE-XMMPIXPASA-N 0 0 557.644 3.592 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223218026 571446638 /nfs/dbraw/zinc/44/66/38/571446638.db2.gz IETCCZDGSQXIRC-GOSISDBHSA-N 0 0 522.067 3.642 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223218079 571446631 /nfs/dbraw/zinc/44/66/31/571446631.db2.gz IETCCZDGSQXIRC-SFHVURJKSA-N 0 0 522.067 3.642 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223218146 571446621 /nfs/dbraw/zinc/44/66/21/571446621.db2.gz LVUDFWWOZXZGRD-QZTJIDSGSA-N 0 0 524.481 3.547 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223218217 571446606 /nfs/dbraw/zinc/44/66/06/571446606.db2.gz LVUDFWWOZXZGRD-ZWKOTPCHSA-N 0 0 524.481 3.547 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223218296 571446580 /nfs/dbraw/zinc/44/65/80/571446580.db2.gz PIRLLTFAUGAGKR-RTBURBONSA-N 0 0 538.508 3.856 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223218360 571446743 /nfs/dbraw/zinc/44/67/43/571446743.db2.gz PIRLLTFAUGAGKR-RBUKOAKNSA-N 0 0 538.508 3.856 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223218435 571446706 /nfs/dbraw/zinc/44/67/06/571446706.db2.gz MEKRWUNJPKJFPA-RTBURBONSA-N 0 0 538.508 3.856 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223218500 571446712 /nfs/dbraw/zinc/44/67/12/571446712.db2.gz MEKRWUNJPKJFPA-RBUKOAKNSA-N 0 0 538.508 3.856 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223218572 571446697 /nfs/dbraw/zinc/44/66/97/571446697.db2.gz ARKSXXFPWRDIGZ-RTBURBONSA-N 0 0 538.508 3.856 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223218621 571446751 /nfs/dbraw/zinc/44/67/51/571446751.db2.gz ARKSXXFPWRDIGZ-RBUKOAKNSA-N 0 0 538.508 3.856 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223219059 571446687 /nfs/dbraw/zinc/44/66/87/571446687.db2.gz VBDXNVAJOWQJLT-DEOSSOPVSA-N 0 0 575.634 3.731 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223219109 571446810 /nfs/dbraw/zinc/44/68/10/571446810.db2.gz VBDXNVAJOWQJLT-XMMPIXPASA-N 0 0 575.634 3.731 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223219191 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ZINC000223220322 571446890 /nfs/dbraw/zinc/44/68/90/571446890.db2.gz LSUXPPZWQGRZLF-ZWKOTPCHSA-N 0 0 554.507 3.556 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223220397 571446919 /nfs/dbraw/zinc/44/69/19/571446919.db2.gz VLCZCVBNKHUXRP-QZTJIDSGSA-N 0 0 554.507 3.556 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223220452 571446929 /nfs/dbraw/zinc/44/69/29/571446929.db2.gz VLCZCVBNKHUXRP-ZWKOTPCHSA-N 0 0 554.507 3.556 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)N[C@@H](C)CC)S(C)(=O)=O ZINC000223220533 571446889 /nfs/dbraw/zinc/44/68/89/571446889.db2.gz ZKDUCFJQFVNYBC-OALUTQOASA-N 0 0 568.534 3.946 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223220609 571447059 /nfs/dbraw/zinc/44/70/59/571447059.db2.gz MUTPDILFCAUZGR-SANMLTNESA-N 0 0 541.645 3.724 40 0 KHABRN 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552.093 3.949 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223222350 571447274 /nfs/dbraw/zinc/44/72/74/571447274.db2.gz VDGYIJBATHDUQA-IBGZPJMESA-N 0 0 552.093 3.949 40 0 KHABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223223038 571447195 /nfs/dbraw/zinc/44/71/95/571447195.db2.gz NICIWEIRRAJRBA-YTTGMZPUSA-N 0 0 647.750 3.644 40 0 KHABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000223223092 571447191 /nfs/dbraw/zinc/44/71/91/571447191.db2.gz NICIWEIRRAJRBA-JGCGQSQUSA-N 0 0 647.750 3.644 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223223469 571447199 /nfs/dbraw/zinc/44/71/99/571447199.db2.gz UYHUVEFUZHQYKT-NRFANRHFSA-N 0 0 512.047 3.887 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223223523 571447235 /nfs/dbraw/zinc/44/72/35/571447235.db2.gz UYHUVEFUZHQYKT-OAQYLSRUSA-N 0 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GPDAJFFZBXQPQW-SFHVURJKSA-N 0 0 538.066 3.558 40 0 KHABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000223223918 571447336 /nfs/dbraw/zinc/44/73/36/571447336.db2.gz WFFRNNZBTWJQQJ-MGBGTMOVSA-N 0 0 701.798 3.780 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223223990 571447314 /nfs/dbraw/zinc/44/73/14/571447314.db2.gz NLOLWRZPDINBPF-LJQANCHMSA-N 0 0 552.093 3.601 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223224049 571447334 /nfs/dbraw/zinc/44/73/34/571447334.db2.gz NLOLWRZPDINBPF-IBGZPJMESA-N 0 0 552.093 3.601 40 0 KHABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCCOC(C)C)cc1 ZINC000223224120 571447337 /nfs/dbraw/zinc/44/73/37/571447337.db2.gz YWYCZMOMRMXXRN-XIFFEERXSA-N 0 0 667.825 3.666 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223224140 571447316 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ZINC000223225081 571447429 /nfs/dbraw/zinc/44/74/29/571447429.db2.gz FUGKKZMBIHKMAP-MUUNZHRXSA-N 0 0 551.709 3.623 40 0 KHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223225151 571447382 /nfs/dbraw/zinc/44/73/82/571447382.db2.gz FUGKKZMBIHKMAP-NDEPHWFRSA-N 0 0 551.709 3.623 40 0 KHABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000223225385 571447416 /nfs/dbraw/zinc/44/74/16/571447416.db2.gz IBUPHBJWCWPLRV-LJAQVGFWSA-N 0 0 565.736 3.869 40 0 KHABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)cc1 ZINC000223227129 571447670 /nfs/dbraw/zinc/44/76/70/571447670.db2.gz FKAZQWGFZPADEG-HKBQPEDESA-N 0 0 600.741 3.808 40 0 KHABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)cc1 ZINC000223227220 571447587 /nfs/dbraw/zinc/44/75/87/571447587.db2.gz HXSHGOMUVNZJCH-HKBQPEDESA-N 0 0 600.741 3.808 40 0 KHABRN COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1 ZINC000223227308 571447654 /nfs/dbraw/zinc/44/76/54/571447654.db2.gz GCVTVVZKMORNGC-HKBQPEDESA-N 0 0 600.741 3.808 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223227312 571447645 /nfs/dbraw/zinc/44/76/45/571447645.db2.gz RKEKLCLRFOAUNZ-QZTJIDSGSA-N 0 0 554.507 3.556 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000223227374 571447602 /nfs/dbraw/zinc/44/76/02/571447602.db2.gz RKEKLCLRFOAUNZ-ZWKOTPCHSA-N 0 0 554.507 3.556 40 0 KHABRN CCOCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223227478 571447650 /nfs/dbraw/zinc/44/76/50/571447650.db2.gz GMZMHLBGVFFIMN-SSEXGKCCSA-N 0 0 595.762 3.640 40 0 KHABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223227552 571447671 /nfs/dbraw/zinc/44/76/71/571447671.db2.gz GMZMHLBGVFFIMN-PMERELPUSA-N 0 0 595.762 3.640 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223228093 571447601 /nfs/dbraw/zinc/44/76/01/571447601.db2.gz NSEQNQKRUDEBJD-IAGOWNOFSA-N 0 0 542.471 3.686 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223228161 571447722 /nfs/dbraw/zinc/44/77/22/571447722.db2.gz NSEQNQKRUDEBJD-DLBZAZTESA-N 0 0 542.471 3.686 40 0 KHABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223228962 571447816 /nfs/dbraw/zinc/44/78/16/571447816.db2.gz DIUJRSFXUJDCRL-HKBQPEDESA-N 0 0 635.714 3.763 40 0 KHABRN COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](Cc2ccccc2)C(=O)NCCO)cc1 ZINC000223229025 571447881 /nfs/dbraw/zinc/44/78/81/571447881.db2.gz DIUJRSFXUJDCRL-WJOKGBTCSA-N 0 0 635.714 3.763 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223229853 571447977 /nfs/dbraw/zinc/44/79/77/571447977.db2.gz BALWAMGJCMPZGA-QZTJIDSGSA-N 0 0 566.518 3.750 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223229901 571447981 /nfs/dbraw/zinc/44/79/81/571447981.db2.gz BALWAMGJCMPZGA-ZWKOTPCHSA-N 0 0 566.518 3.750 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223230137 571448036 /nfs/dbraw/zinc/44/80/36/571448036.db2.gz CXMXXFAJJCSEQO-GOSISDBHSA-N 0 0 520.051 3.598 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223230203 571448046 /nfs/dbraw/zinc/44/80/46/571448046.db2.gz CXMXXFAJJCSEQO-SFHVURJKSA-N 0 0 520.051 3.598 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223231436 571448255 /nfs/dbraw/zinc/44/82/55/571448255.db2.gz SHPZVVSWDAOPGP-QGZVFWFLSA-N 0 0 514.475 3.948 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223231482 571448198 /nfs/dbraw/zinc/44/81/98/571448198.db2.gz SHPZVVSWDAOPGP-KRWDZBQOSA-N 0 0 514.475 3.948 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223232094 571448315 /nfs/dbraw/zinc/44/83/15/571448315.db2.gz ZWODAIXVTKNWFU-HZPDHXFCSA-N 0 0 560.461 3.825 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223232149 571448314 /nfs/dbraw/zinc/44/83/14/571448314.db2.gz ZWODAIXVTKNWFU-JKSUJKDBSA-N 0 0 560.461 3.825 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000223232545 571448334 /nfs/dbraw/zinc/44/83/34/571448334.db2.gz QUSWOGPLKBOTDU-MUUNZHRXSA-N 0 0 551.709 3.702 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 ZINC000223232597 571448298 /nfs/dbraw/zinc/44/82/98/571448298.db2.gz QUSWOGPLKBOTDU-NDEPHWFRSA-N 0 0 551.709 3.702 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NCCCOC)cc1 ZINC000223233789 571448497 /nfs/dbraw/zinc/44/84/97/571448497.db2.gz NZRCLIHOTFMPAM-PMERELPUSA-N 0 0 595.762 3.719 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NCCCOC)cc1 ZINC000223233853 571448455 /nfs/dbraw/zinc/44/84/55/571448455.db2.gz NZRCLIHOTFMPAM-SSEXGKCCSA-N 0 0 595.762 3.719 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223233944 571448457 /nfs/dbraw/zinc/44/84/57/571448457.db2.gz KEUJJTMPSSEOSX-HXUWFJFHSA-N 0 0 566.120 3.991 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223234003 571448520 /nfs/dbraw/zinc/44/85/20/571448520.db2.gz KEUJJTMPSSEOSX-FQEVSTJZSA-N 0 0 566.120 3.991 40 0 KHABRN O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000223234042 571448489 /nfs/dbraw/zinc/44/84/89/571448489.db2.gz SEMBFKUODXOQQY-UHFFFAOYSA-N 0 0 535.504 3.856 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223234966 571448558 /nfs/dbraw/zinc/44/85/58/571448558.db2.gz QYZFBCHCDUMWOL-NRFANRHFSA-N 0 0 531.572 3.944 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223235029 571448686 /nfs/dbraw/zinc/44/86/86/571448686.db2.gz QYZFBCHCDUMWOL-OAQYLSRUSA-N 0 0 531.572 3.944 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000223235167 571448696 /nfs/dbraw/zinc/44/86/96/571448696.db2.gz XJWDAHVRPQIXOQ-SMCANUKXSA-N 0 0 607.773 3.861 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000223235231 571448677 /nfs/dbraw/zinc/44/86/77/571448677.db2.gz XJWDAHVRPQIXOQ-IGYGKHONSA-N 0 0 607.773 3.861 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000223235294 571448690 /nfs/dbraw/zinc/44/86/90/571448690.db2.gz XJWDAHVRPQIXOQ-VEEOACQBSA-N 0 0 607.773 3.861 40 0 KHABRN CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 ZINC000223235340 571448694 /nfs/dbraw/zinc/44/86/94/571448694.db2.gz XJWDAHVRPQIXOQ-BVRKHOPBSA-N 0 0 607.773 3.861 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223235498 571448695 /nfs/dbraw/zinc/44/86/95/571448695.db2.gz JBNHHBYBHVLDIX-NRFANRHFSA-N 0 0 512.047 3.887 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223235554 571448674 /nfs/dbraw/zinc/44/86/74/571448674.db2.gz JBNHHBYBHVLDIX-OAQYLSRUSA-N 0 0 512.047 3.887 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223236035 571448780 /nfs/dbraw/zinc/44/87/80/571448780.db2.gz CMZMRSYJTMRHMD-QZTJIDSGSA-N 0 0 582.517 3.666 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC ZINC000223236094 571448742 /nfs/dbraw/zinc/44/87/42/571448742.db2.gz CMZMRSYJTMRHMD-ZWKOTPCHSA-N 0 0 582.517 3.666 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223236170 571448774 /nfs/dbraw/zinc/44/87/74/571448774.db2.gz RRROTJJLNOJSSA-RTBURBONSA-N 0 0 596.544 3.708 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223236220 571448725 /nfs/dbraw/zinc/44/87/25/571448725.db2.gz RRROTJJLNOJSSA-RBUKOAKNSA-N 0 0 596.544 3.708 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223236452 571448783 /nfs/dbraw/zinc/44/87/83/571448783.db2.gz VKYDSIZDZHAZGO-QZTJIDSGSA-N 0 0 571.513 3.533 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223236504 571448756 /nfs/dbraw/zinc/44/87/56/571448756.db2.gz VKYDSIZDZHAZGO-ZWKOTPCHSA-N 0 0 571.513 3.533 40 0 KHABRN COC(=O)CSc1nnc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000223236778 571448864 /nfs/dbraw/zinc/44/88/64/571448864.db2.gz ZDIWKYKLYUULAI-UHFFFAOYSA-N 0 0 541.076 3.907 40 0 KHABRN CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223236810 571448825 /nfs/dbraw/zinc/44/88/25/571448825.db2.gz WBWCTYIEDWLBOX-GDLZYMKVSA-N 0 0 563.720 3.798 40 0 KHABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223236870 571448820 /nfs/dbraw/zinc/44/88/20/571448820.db2.gz WBWCTYIEDWLBOX-LJAQVGFWSA-N 0 0 563.720 3.798 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCCO)cc1 ZINC000223237981 571448952 /nfs/dbraw/zinc/44/89/52/571448952.db2.gz FHXRWDCXXZKQJT-HKBQPEDESA-N 0 0 607.773 3.551 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCCO)cc1 ZINC000223238032 571448944 /nfs/dbraw/zinc/44/89/44/571448944.db2.gz FHXRWDCXXZKQJT-WJOKGBTCSA-N 0 0 607.773 3.551 40 0 KHABRN COCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223238103 571448984 /nfs/dbraw/zinc/44/89/84/571448984.db2.gz MAHYVKGDTWZSBA-WJOKGBTCSA-N 0 0 607.773 3.815 40 0 KHABRN COCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223238163 571448979 /nfs/dbraw/zinc/44/89/79/571448979.db2.gz MAHYVKGDTWZSBA-HKBQPEDESA-N 0 0 607.773 3.815 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223239171 571449057 /nfs/dbraw/zinc/44/90/57/571449057.db2.gz VSGTVZKMWKNBDX-AREMUKBSSA-N 0 0 507.656 3.537 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223239244 571449007 /nfs/dbraw/zinc/44/90/07/571449007.db2.gz VSGTVZKMWKNBDX-SANMLTNESA-N 0 0 507.656 3.537 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223239321 571449118 /nfs/dbraw/zinc/44/91/18/571449118.db2.gz KBBPZHYLEBNJKY-HHHXNRCGSA-N 0 0 521.683 3.846 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223239374 571449157 /nfs/dbraw/zinc/44/91/57/571449157.db2.gz KBBPZHYLEBNJKY-MHZLTWQESA-N 0 0 521.683 3.846 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223239456 571449136 /nfs/dbraw/zinc/44/91/36/571449136.db2.gz NQPGJYZXAKVJCB-HHHXNRCGSA-N 0 0 521.683 3.846 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223239514 571449153 /nfs/dbraw/zinc/44/91/53/571449153.db2.gz NQPGJYZXAKVJCB-MHZLTWQESA-N 0 0 521.683 3.846 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223239603 571449141 /nfs/dbraw/zinc/44/91/41/571449141.db2.gz DURMEMBLPKWWGY-HHHXNRCGSA-N 0 0 521.683 3.846 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223239655 571449112 /nfs/dbraw/zinc/44/91/12/571449112.db2.gz DURMEMBLPKWWGY-MHZLTWQESA-N 0 0 521.683 3.846 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000223240827 571449232 /nfs/dbraw/zinc/44/92/32/571449232.db2.gz LYDPLKGALVLSRN-QFIPXVFZSA-N 0 0 517.692 3.882 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000223240920 571449268 /nfs/dbraw/zinc/44/92/68/571449268.db2.gz GMXAKTJHIDVGFT-DEOSSOPVSA-N 0 0 517.692 3.882 40 0 KHABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223241009 571449265 /nfs/dbraw/zinc/44/92/65/571449265.db2.gz OPXMTTBUZYMJCY-QFIPXVFZSA-N 0 0 533.691 3.500 40 0 KHABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O ZINC000223241070 571449250 /nfs/dbraw/zinc/44/92/50/571449250.db2.gz OPXMTTBUZYMJCY-JOCHJYFZSA-N 0 0 533.691 3.500 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 ZINC000223241126 571449256 /nfs/dbraw/zinc/44/92/56/571449256.db2.gz RYOGVKZMJATXAZ-UMSFTDKQSA-N 0 0 662.853 3.501 40 0 KHABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000223241165 571449296 /nfs/dbraw/zinc/44/92/96/571449296.db2.gz UCCXACGXUVOBRW-QFIPXVFZSA-N 0 0 533.691 3.500 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 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3.761 40 0 KHABRN O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000223436899 571476384 /nfs/dbraw/zinc/47/63/84/571476384.db2.gz MYTHYTDKDXSSPO-MUUNZHRXSA-N 0 0 522.045 3.937 40 0 KHABRN O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCN1CCOCC1)c1ccccc1 ZINC000223436945 571476320 /nfs/dbraw/zinc/47/63/20/571476320.db2.gz MYTHYTDKDXSSPO-NDEPHWFRSA-N 0 0 522.045 3.937 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC)c2ccccc2)cc1 ZINC000223436968 571476392 /nfs/dbraw/zinc/47/63/92/571476392.db2.gz BPJKDTSGOPVCRN-MHZLTWQESA-N 0 0 553.681 3.843 40 0 KHABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223437253 571476448 /nfs/dbraw/zinc/47/64/48/571476448.db2.gz XZHWEDLCTAKCOZ-GDLZYMKVSA-N 0 0 583.682 3.522 40 0 KHABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223437315 571476514 /nfs/dbraw/zinc/47/65/14/571476514.db2.gz XZHWEDLCTAKCOZ-LJAQVGFWSA-N 0 0 583.682 3.522 40 0 KHABRN CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223437372 571476442 /nfs/dbraw/zinc/47/64/42/571476442.db2.gz STXAHVLIRYCERC-SSEXGKCCSA-N 0 0 597.709 3.912 40 0 KHABRN CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223437422 571476509 /nfs/dbraw/zinc/47/65/09/571476509.db2.gz STXAHVLIRYCERC-PMERELPUSA-N 0 0 597.709 3.912 40 0 KHABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223437488 571476440 /nfs/dbraw/zinc/47/64/40/571476440.db2.gz COIUVSGDVVLMTJ-SSEXGKCCSA-N 0 0 597.709 3.768 40 0 KHABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223437553 571476477 /nfs/dbraw/zinc/47/64/77/571476477.db2.gz COIUVSGDVVLMTJ-PMERELPUSA-N 0 0 597.709 3.768 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223437642 571476519 /nfs/dbraw/zinc/47/65/19/571476519.db2.gz YTFMLDLFUBIGEU-MHZLTWQESA-N 0 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517.692 3.918 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000223438766 571476663 /nfs/dbraw/zinc/47/66/63/571476663.db2.gz RZWQAIALXTUGQL-NRFANRHFSA-N 0 0 517.692 3.918 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223439307 571476761 /nfs/dbraw/zinc/47/67/61/571476761.db2.gz NJAJXKYQMBZIRC-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223439356 571476804 /nfs/dbraw/zinc/47/68/04/571476804.db2.gz QVQIGQVWSDVCNC-WJOKGBTCSA-N 0 0 621.687 3.905 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223439372 571476798 /nfs/dbraw/zinc/47/67/98/571476798.db2.gz NJAJXKYQMBZIRC-SFHVURJKSA-N 0 0 554.507 3.557 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223439413 571476821 /nfs/dbraw/zinc/47/68/21/571476821.db2.gz QVQIGQVWSDVCNC-HKBQPEDESA-N 0 0 621.687 3.905 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223439461 571476748 /nfs/dbraw/zinc/47/67/48/571476748.db2.gz VBPLBLBANRYRQU-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223439484 571476810 /nfs/dbraw/zinc/47/68/10/571476810.db2.gz JXICWKYXKVPFTQ-AREMUKBSSA-N 0 0 583.682 3.529 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223439518 571476834 /nfs/dbraw/zinc/47/68/34/571476834.db2.gz VBPLBLBANRYRQU-SFHVURJKSA-N 0 0 554.507 3.557 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC ZINC000223439549 571476773 /nfs/dbraw/zinc/47/67/73/571476773.db2.gz JXICWKYXKVPFTQ-SANMLTNESA-N 0 0 583.682 3.529 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223439632 571476807 /nfs/dbraw/zinc/47/68/07/571476807.db2.gz MKQWAQJPKPPDGI-MUUNZHRXSA-N 0 0 568.715 3.832 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223439688 571476790 /nfs/dbraw/zinc/47/67/90/571476790.db2.gz BNDBCKRMHXEVEG-JGCGQSQUSA-N 0 0 632.714 3.707 40 0 KHABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223439696 571476755 /nfs/dbraw/zinc/47/67/55/571476755.db2.gz MKQWAQJPKPPDGI-NDEPHWFRSA-N 0 0 568.715 3.832 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223439738 571476800 /nfs/dbraw/zinc/47/68/00/571476800.db2.gz BNDBCKRMHXEVEG-YTTGMZPUSA-N 0 0 632.714 3.707 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223439798 571476775 /nfs/dbraw/zinc/47/67/75/571476775.db2.gz VPFTTXHLNCNRDS-JGCGQSQUSA-N 0 0 632.714 3.707 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223439850 571476893 /nfs/dbraw/zinc/47/68/93/571476893.db2.gz VPFTTXHLNCNRDS-YTTGMZPUSA-N 0 0 632.714 3.707 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223439861 571476936 /nfs/dbraw/zinc/47/69/36/571476936.db2.gz FJUAAZVCUPAYGJ-VWLOTQADSA-N 0 0 587.670 3.600 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223439914 571476865 /nfs/dbraw/zinc/47/68/65/571476865.db2.gz UDPGGGHMNBBKQD-JGCGQSQUSA-N 0 0 632.714 3.707 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223439927 571476946 /nfs/dbraw/zinc/47/69/46/571476946.db2.gz FJUAAZVCUPAYGJ-RUZDIDTESA-N 0 0 587.670 3.600 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223439967 571476869 /nfs/dbraw/zinc/47/68/69/571476869.db2.gz UDPGGGHMNBBKQD-YTTGMZPUSA-N 0 0 632.714 3.707 40 0 KHABRN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223440149 571476913 /nfs/dbraw/zinc/47/69/13/571476913.db2.gz DCYBCWUSKGWXAP-WJOKGBTCSA-N 0 0 627.735 3.538 40 0 KHABRN CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223440220 571476907 /nfs/dbraw/zinc/47/69/07/571476907.db2.gz DCYBCWUSKGWXAP-HKBQPEDESA-N 0 0 627.735 3.538 40 0 KHABRN CC(C)OCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223440288 571476938 /nfs/dbraw/zinc/47/69/38/571476938.db2.gz METDITURVSRFMT-JGCGQSQUSA-N 0 0 641.762 3.927 40 0 KHABRN CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000223440330 571477017 /nfs/dbraw/zinc/47/70/17/571477017.db2.gz METDITURVSRFMT-YTTGMZPUSA-N 0 0 641.762 3.927 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000223440589 571477039 /nfs/dbraw/zinc/47/70/39/571477039.db2.gz SQQCECYEUBDTKT-IBGZPJMESA-N 0 0 550.892 3.975 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223440614 571476977 /nfs/dbraw/zinc/47/69/77/571476977.db2.gz DNIJBYPEOSFBFG-GOSISDBHSA-N 0 0 543.608 3.814 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000223440643 571477037 /nfs/dbraw/zinc/47/70/37/571477037.db2.gz SQQCECYEUBDTKT-LJQANCHMSA-N 0 0 550.892 3.975 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223440668 571476964 /nfs/dbraw/zinc/47/69/64/571476964.db2.gz DNIJBYPEOSFBFG-SFHVURJKSA-N 0 0 543.608 3.814 40 0 KHABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223441138 571477160 /nfs/dbraw/zinc/47/71/60/571477160.db2.gz LJWDZKOWMUQGRZ-HHHXNRCGSA-N 0 0 525.646 3.884 40 0 KHABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000223441198 571477117 /nfs/dbraw/zinc/47/71/17/571477117.db2.gz LJWDZKOWMUQGRZ-MHZLTWQESA-N 0 0 525.646 3.884 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O 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571477151 /nfs/dbraw/zinc/47/71/51/571477151.db2.gz YSIGBYPEFSIUAC-IBGZPJMESA-N 0 0 524.083 3.757 40 0 KHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223441669 571477144 /nfs/dbraw/zinc/47/71/44/571477144.db2.gz JFRMDMATFHHGHZ-VWLOTQADSA-N 0 0 527.618 3.583 40 0 KHABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223441721 571477214 /nfs/dbraw/zinc/47/72/14/571477214.db2.gz JFRMDMATFHHGHZ-RUZDIDTESA-N 0 0 527.618 3.583 40 0 KHABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223441749 571477263 /nfs/dbraw/zinc/47/72/63/571477263.db2.gz YDWNYWIJOXHRMS-LJQANCHMSA-N 0 0 524.083 3.757 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](CC)C(=O)NC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223441802 571477280 /nfs/dbraw/zinc/47/72/80/571477280.db2.gz OHMOVNOQTSDNDH-MHZLTWQESA-N 0 0 571.671 3.982 40 0 KHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223441803 571477284 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571482322 /nfs/dbraw/zinc/48/23/22/571482322.db2.gz YTKFIBLXYDBRHU-AREMUKBSSA-N 0 0 567.708 3.803 40 0 KHABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000223471504 571482575 /nfs/dbraw/zinc/48/25/75/571482575.db2.gz NSHBNRYOWRSENE-VWLOTQADSA-N 0 0 525.646 3.925 40 0 KHABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000223471563 571482467 /nfs/dbraw/zinc/48/24/67/571482467.db2.gz NSHBNRYOWRSENE-RUZDIDTESA-N 0 0 525.646 3.925 40 0 KHABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223471647 571482544 /nfs/dbraw/zinc/48/25/44/571482544.db2.gz ZKYPZAUJFLDNAV-SANMLTNESA-N 0 0 525.646 3.925 40 0 KHABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223471699 571482513 /nfs/dbraw/zinc/48/25/13/571482513.db2.gz ZKYPZAUJFLDNAV-AREMUKBSSA-N 0 0 525.646 3.925 40 0 KHABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223471775 571482528 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223519935 571492639 /nfs/dbraw/zinc/49/26/39/571492639.db2.gz SPZAXGJQABRWGP-IBGZPJMESA-N 0 0 540.469 3.860 40 0 KHABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223519996 571492698 /nfs/dbraw/zinc/49/26/98/571492698.db2.gz SPZAXGJQABRWGP-LJQANCHMSA-N 0 0 540.469 3.860 40 0 KHABRN COc1ccc(N(CC(=O)NCCOc2ccccc2OC)S(=O)(=O)c2ccccc2)cc1Cl ZINC000223520381 571492668 /nfs/dbraw/zinc/49/26/68/571492668.db2.gz SWXWZMOXVOKTKX-UHFFFAOYSA-N 0 0 504.992 3.748 40 0 KHABRN COc1cccc(OCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 ZINC000223520630 571492824 /nfs/dbraw/zinc/49/28/24/571492824.db2.gz ZWWHOBLQPJBRHN-UHFFFAOYSA-N 0 0 504.992 3.748 40 0 KHABRN COc1ccc(OCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000223520719 571492825 /nfs/dbraw/zinc/49/28/25/571492825.db2.gz GXJBWWHMKFWYBA-UHFFFAOYSA-N 0 0 504.992 3.748 40 0 KHABRN 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CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223521672 571493068 /nfs/dbraw/zinc/49/30/68/571493068.db2.gz VZECKDBSLSUVEO-NRFANRHFSA-N 0 0 509.628 3.798 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C(=O)NCCCO)c2ccccc2)cc1 ZINC000223522085 1066533859 /nfs/dbraw/zinc/53/38/59/1066533859.db2.gz JAVHELAPBLLAPF-WJOKGBTCSA-N 0 0 593.746 3.681 40 0 KHABRN COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C(=O)NCCCO)c2ccccc2)cc1 ZINC000223522108 571493209 /nfs/dbraw/zinc/49/32/09/571493209.db2.gz JAVHELAPBLLAPF-HKBQPEDESA-N 0 0 593.746 3.681 40 0 KHABRN COCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000223522197 571493226 /nfs/dbraw/zinc/49/32/26/571493226.db2.gz HEEOXXQCQQVZRA-WJOKGBTCSA-N 0 0 593.746 3.945 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000223522208 571493179 /nfs/dbraw/zinc/49/31/79/571493179.db2.gz ZFPJIVRWICUMMC-OAHLLOKOSA-N 0 0 519.973 3.678 40 0 KHABRN 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PYQYPOZSLKNEOW-NRFANRHFSA-N 0 0 511.619 3.883 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223775303 571542128 /nfs/dbraw/zinc/54/21/28/571542128.db2.gz OGNADHOJRQBVTO-QHCPKHFHSA-N 0 0 523.099 3.677 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223775540 571542116 /nfs/dbraw/zinc/54/21/16/571542116.db2.gz GDBNRMMQGZNBHI-JOCHJYFZSA-N 0 0 552.093 3.601 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223775606 571542100 /nfs/dbraw/zinc/54/21/00/571542100.db2.gz GDBNRMMQGZNBHI-QFIPXVFZSA-N 0 0 552.093 3.601 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223776796 571542313 /nfs/dbraw/zinc/54/23/13/571542313.db2.gz SHIRJXDXALCPGJ-HXUWFJFHSA-N 0 0 527.618 3.583 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1 ZINC000223776842 571542321 /nfs/dbraw/zinc/54/23/21/571542321.db2.gz 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TVLKKJHBVIPXHL-SFHVURJKSA-N 0 0 507.603 3.515 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 ZINC000223777210 571542433 /nfs/dbraw/zinc/54/24/33/571542433.db2.gz HCBNIVOJAFWITR-OAQYLSRUSA-N 0 0 541.645 3.973 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 ZINC000223777272 571542419 /nfs/dbraw/zinc/54/24/19/571542419.db2.gz HCBNIVOJAFWITR-NRFANRHFSA-N 0 0 541.645 3.973 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223777352 571542425 /nfs/dbraw/zinc/54/24/25/571542425.db2.gz VEGARYRARFNJMM-HXUWFJFHSA-N 0 0 557.644 3.592 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223777403 571542432 /nfs/dbraw/zinc/54/24/32/571542432.db2.gz VEGARYRARFNJMM-FQEVSTJZSA-N 0 0 557.644 3.592 40 0 KHABRN CCOc1ccc(N(CC(=O)NCCOc2cccc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223777459 571542438 /nfs/dbraw/zinc/54/24/38/571542438.db2.gz 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CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223811889 571552047 /nfs/dbraw/zinc/55/20/47/571552047.db2.gz JXYDHDWQCNSXKU-XMMPIXPASA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223811900 571552071 /nfs/dbraw/zinc/55/20/71/571552071.db2.gz JXYDHDWQCNSXKU-DEOSSOPVSA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223811912 571552088 /nfs/dbraw/zinc/55/20/88/571552088.db2.gz CSPFPNUHVVXITK-XMMPIXPASA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223811922 571552002 /nfs/dbraw/zinc/55/20/02/571552002.db2.gz CSPFPNUHVVXITK-DEOSSOPVSA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223811945 571552009 /nfs/dbraw/zinc/55/20/09/571552009.db2.gz LXAWWIVHHHZKRX-HSZRJFAPSA-N 0 0 505.656 3.878 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223811957 571551981 /nfs/dbraw/zinc/55/19/81/571551981.db2.gz LXAWWIVHHHZKRX-QHCPKHFHSA-N 0 0 505.656 3.878 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223812002 571552169 /nfs/dbraw/zinc/55/21/69/571552169.db2.gz MLEWCCXYGXYVLD-OAQYLSRUSA-N 0 0 512.047 3.969 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223812013 571552162 /nfs/dbraw/zinc/55/21/62/571552162.db2.gz MLEWCCXYGXYVLD-NRFANRHFSA-N 0 0 512.047 3.969 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223812024 571552155 /nfs/dbraw/zinc/55/21/55/571552155.db2.gz IRRKEBPRSGXCFW-JOCHJYFZSA-N 0 0 512.047 3.969 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223812038 571552211 /nfs/dbraw/zinc/55/22/11/571552211.db2.gz IRRKEBPRSGXCFW-QFIPXVFZSA-N 0 0 512.047 3.969 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223812050 571552131 /nfs/dbraw/zinc/55/21/31/571552131.db2.gz LKUNVHBZPIIKRF-JOCHJYFZSA-N 0 0 512.047 3.969 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223812061 571552126 /nfs/dbraw/zinc/55/21/26/571552126.db2.gz LKUNVHBZPIIKRF-QFIPXVFZSA-N 0 0 512.047 3.969 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223812190 571552195 /nfs/dbraw/zinc/55/21/95/571552195.db2.gz RFTKQROUYJHAHX-JOCHJYFZSA-N 0 0 521.655 3.714 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223812201 571552223 /nfs/dbraw/zinc/55/22/23/571552223.db2.gz RFTKQROUYJHAHX-QFIPXVFZSA-N 0 0 521.655 3.714 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223812217 571552166 /nfs/dbraw/zinc/55/21/66/571552166.db2.gz VIGMDZURSMBQRF-XMMPIXPASA-N 0 0 521.655 3.714 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223812228 571552221 /nfs/dbraw/zinc/55/22/21/571552221.db2.gz VIGMDZURSMBQRF-DEOSSOPVSA-N 0 0 521.655 3.714 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223812441 571552279 /nfs/dbraw/zinc/55/22/79/571552279.db2.gz LYVWHTKLTSJHSM-OAQYLSRUSA-N 0 0 542.073 3.977 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223812450 571552326 /nfs/dbraw/zinc/55/23/26/571552326.db2.gz LYVWHTKLTSJHSM-NRFANRHFSA-N 0 0 542.073 3.977 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223812469 571552277 /nfs/dbraw/zinc/55/22/77/571552277.db2.gz VIMVFHNXYMIFFW-JOCHJYFZSA-N 0 0 521.655 3.632 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223812482 571552281 /nfs/dbraw/zinc/55/22/81/571552281.db2.gz VIMVFHNXYMIFFW-QFIPXVFZSA-N 0 0 521.655 3.632 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223812624 571552412 /nfs/dbraw/zinc/55/24/12/571552412.db2.gz HQZBCPFFYPBBDH-JOCHJYFZSA-N 0 0 542.073 3.977 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223812633 571552431 /nfs/dbraw/zinc/55/24/31/571552431.db2.gz HQZBCPFFYPBBDH-QFIPXVFZSA-N 0 0 542.073 3.977 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223812683 571552383 /nfs/dbraw/zinc/55/23/83/571552383.db2.gz JUVZTEVEGZRPAM-HSZRJFAPSA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223812689 571552381 /nfs/dbraw/zinc/55/23/81/571552381.db2.gz JUVZTEVEGZRPAM-QHCPKHFHSA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223812783 571552434 /nfs/dbraw/zinc/55/24/34/571552434.db2.gz SBCWVDVDMCDSIC-HSZRJFAPSA-N 0 0 505.656 3.932 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223812799 571552467 /nfs/dbraw/zinc/55/24/67/571552467.db2.gz SBCWVDVDMCDSIC-QHCPKHFHSA-N 0 0 505.656 3.932 40 0 KHABRN Cc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813140 571552618 /nfs/dbraw/zinc/55/26/18/571552618.db2.gz QKJQQTVBZPUEDV-IBGZPJMESA-N 0 0 506.068 3.745 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223813332 571552667 /nfs/dbraw/zinc/55/26/67/571552667.db2.gz WJGVLAPFCNDUEU-JOCHJYFZSA-N 0 0 603.498 3.920 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223813346 571552714 /nfs/dbraw/zinc/55/27/14/571552714.db2.gz WJGVLAPFCNDUEU-QFIPXVFZSA-N 0 0 603.498 3.920 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223813445 571552852 /nfs/dbraw/zinc/55/28/52/571552852.db2.gz ZNSWEAPNGYZHAY-XMMPIXPASA-N 0 0 505.656 3.878 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223813459 571552828 /nfs/dbraw/zinc/55/28/28/571552828.db2.gz ZNSWEAPNGYZHAY-DEOSSOPVSA-N 0 0 505.656 3.878 40 0 KHABRN Cc1ccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813515 571552830 /nfs/dbraw/zinc/55/28/30/571552830.db2.gz OBLLICGIZVLVJV-QFIPXVFZSA-N 0 0 557.713 3.789 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223814107 571553100 /nfs/dbraw/zinc/55/31/00/571553100.db2.gz BDZVBTABPRIBAX-XMMPIXPASA-N 0 0 519.639 3.518 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223814119 571553092 /nfs/dbraw/zinc/55/30/92/571553092.db2.gz BDZVBTABPRIBAX-DEOSSOPVSA-N 0 0 519.639 3.518 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223814583 571553223 /nfs/dbraw/zinc/55/32/23/571553223.db2.gz VFFVLAZKEVMYLN-JOCHJYFZSA-N 0 0 513.582 3.594 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223814600 571553204 /nfs/dbraw/zinc/55/32/04/571553204.db2.gz VFFVLAZKEVMYLN-QFIPXVFZSA-N 0 0 513.582 3.594 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223814867 571553348 /nfs/dbraw/zinc/55/33/48/571553348.db2.gz NIGVLONELCLPCA-HSZRJFAPSA-N 0 0 549.665 3.824 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223814878 571553331 /nfs/dbraw/zinc/55/33/31/571553331.db2.gz NIGVLONELCLPCA-QHCPKHFHSA-N 0 0 549.665 3.824 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223815245 571553436 /nfs/dbraw/zinc/55/34/36/571553436.db2.gz UDWWDPFJNKLSLO-XMMPIXPASA-N 0 0 534.698 3.779 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223815257 571553472 /nfs/dbraw/zinc/55/34/72/571553472.db2.gz UDWWDPFJNKLSLO-DEOSSOPVSA-N 0 0 534.698 3.779 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223816662 571554001 /nfs/dbraw/zinc/55/40/01/571554001.db2.gz QJFKKXYPQBBFNS-JOCHJYFZSA-N 0 0 512.047 3.823 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223816675 571554175 /nfs/dbraw/zinc/55/41/75/571554175.db2.gz QJFKKXYPQBBFNS-QFIPXVFZSA-N 0 0 512.047 3.823 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223816716 571554182 /nfs/dbraw/zinc/55/41/82/571554182.db2.gz IDYZGJOAKJMXNM-XMMPIXPASA-N 0 0 505.656 3.950 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223816727 571554186 /nfs/dbraw/zinc/55/41/86/571554186.db2.gz IDYZGJOAKJMXNM-DEOSSOPVSA-N 0 0 505.656 3.950 40 0 KHABRN Cc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223816748 571554153 /nfs/dbraw/zinc/55/41/53/571554153.db2.gz LBSURMVUWSQBFE-IBGZPJMESA-N 0 0 506.068 3.891 40 0 KHABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223816766 571554191 /nfs/dbraw/zinc/55/41/91/571554191.db2.gz FMXKATKKOJZLSE-IBGZPJMESA-N 0 0 506.068 3.891 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223816787 571554131 /nfs/dbraw/zinc/55/41/31/571554131.db2.gz GUEIYGGLGYFVQM-IBGZPJMESA-N 0 0 506.068 3.891 40 0 KHABRN COc1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223817082 571554282 /nfs/dbraw/zinc/55/42/82/571554282.db2.gz LOUPGLJHJBCRLK-SFHVURJKSA-N 0 0 522.067 3.591 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223817098 571554327 /nfs/dbraw/zinc/55/43/27/571554327.db2.gz ZUCOXRRILLWMNZ-SFHVURJKSA-N 0 0 522.067 3.591 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223817122 571554284 /nfs/dbraw/zinc/55/42/84/571554284.db2.gz ZQZNLLKIHDQBFM-IBGZPJMESA-N 0 0 536.094 3.981 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223817144 571554319 /nfs/dbraw/zinc/55/43/19/571554319.db2.gz HQMXNWCJKVGQSD-IBGZPJMESA-N 0 0 536.094 3.981 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(OC)c1 ZINC000223817169 571554329 /nfs/dbraw/zinc/55/43/29/571554329.db2.gz ROXZDNJNSJPGNR-SFHVURJKSA-N 0 0 552.093 3.599 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223817187 571554318 /nfs/dbraw/zinc/55/43/18/571554318.db2.gz LPFQERVMDAIDNR-XMMPIXPASA-N 0 0 563.692 3.867 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223817189 571554314 /nfs/dbraw/zinc/55/43/14/571554314.db2.gz ZJRBZNOVRZEPHH-SFHVURJKSA-N 0 0 552.093 3.599 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223817200 571554328 /nfs/dbraw/zinc/55/43/28/571554328.db2.gz LPFQERVMDAIDNR-DEOSSOPVSA-N 0 0 563.692 3.867 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1OC ZINC000223817201 571554317 /nfs/dbraw/zinc/55/43/17/571554317.db2.gz ZKHNEMVPKGAYPO-SFHVURJKSA-N 0 0 552.093 3.599 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223817272 571554420 /nfs/dbraw/zinc/55/44/20/571554420.db2.gz JKTQKBWWGUYQBB-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223817282 571554454 /nfs/dbraw/zinc/55/44/54/571554454.db2.gz JKTQKBWWGUYQBB-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223817296 571554416 /nfs/dbraw/zinc/55/44/16/571554416.db2.gz QGULRBHLAWJMSQ-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223817305 571554439 /nfs/dbraw/zinc/55/44/39/571554439.db2.gz QGULRBHLAWJMSQ-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN COc1ccc(C)cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223817347 571554475 /nfs/dbraw/zinc/55/44/75/571554475.db2.gz AVOGVGWCGBUJPZ-IBGZPJMESA-N 0 0 536.094 3.899 40 0 KHABRN COc1ccccc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223818329 571554776 /nfs/dbraw/zinc/55/47/76/571554776.db2.gz MJDICPADASNFKB-SFHVURJKSA-N 0 0 522.067 3.591 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223818462 571554711 /nfs/dbraw/zinc/55/47/11/571554711.db2.gz HFNACUNIEQXGIR-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000223818472 571554702 /nfs/dbraw/zinc/55/47/02/571554702.db2.gz HFNACUNIEQXGIR-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN CC(=O)c1cccc(N(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223818845 571554950 /nfs/dbraw/zinc/55/49/50/571554950.db2.gz TWFXWJPIKUSXLI-SFHVURJKSA-N 0 0 534.078 3.785 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223819297 571555239 /nfs/dbraw/zinc/55/52/39/571555239.db2.gz IBJWWXLELPNKQE-INIZCTEOSA-N 0 0 528.021 3.860 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223819308 571555216 /nfs/dbraw/zinc/55/52/16/571555216.db2.gz IBJWWXLELPNKQE-MRXNPFEDSA-N 0 0 528.021 3.860 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000223819972 571555570 /nfs/dbraw/zinc/55/55/70/571555570.db2.gz ZEHYZOXQTIWZOF-SFHVURJKSA-N 0 0 550.077 3.701 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000223820000 571555602 /nfs/dbraw/zinc/55/56/02/571555602.db2.gz TTZHNENMABPNOA-IBGZPJMESA-N 0 0 564.104 3.743 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223820056 571555702 /nfs/dbraw/zinc/55/57/02/571555702.db2.gz HWODFWZEJGPBCJ-SFHVURJKSA-N 0 0 539.073 3.568 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C ZINC000223820073 571555657 /nfs/dbraw/zinc/55/56/57/571555657.db2.gz HWODFWZEJGPBCJ-GOSISDBHSA-N 0 0 539.073 3.568 40 0 KHABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223820855 571555948 /nfs/dbraw/zinc/55/59/48/571555948.db2.gz RVKXUTSUBBWNEG-IBGZPJMESA-N 0 0 506.068 3.745 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223821428 571556162 /nfs/dbraw/zinc/55/61/62/571556162.db2.gz PYZDALUUMCILPG-SFHVURJKSA-N 0 0 539.073 3.568 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000223821455 571556131 /nfs/dbraw/zinc/55/61/31/571556131.db2.gz PYZDALUUMCILPG-GOSISDBHSA-N 0 0 539.073 3.568 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(Cl)cc2)c2ccccc2OC)cc1 ZINC000223821649 571556186 /nfs/dbraw/zinc/55/61/86/571556186.db2.gz UTKQOFWALQQBEF-UHFFFAOYSA-N 0 0 504.992 3.748 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2Cl)c2ccccc2OC)cc1 ZINC000223821705 571556140 /nfs/dbraw/zinc/55/61/40/571556140.db2.gz LGTBDRVGOUOBCF-UHFFFAOYSA-N 0 0 504.992 3.748 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223822242 571556346 /nfs/dbraw/zinc/55/63/46/571556346.db2.gz YQJMPYBMBBDBIK-SFHVURJKSA-N 0 0 532.062 3.741 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000223822298 571556398 /nfs/dbraw/zinc/55/63/98/571556398.db2.gz YQJMPYBMBBDBIK-GOSISDBHSA-N 0 0 532.062 3.741 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223822874 571556488 /nfs/dbraw/zinc/55/64/88/571556488.db2.gz BKFVSNQCVHJVEV-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223822953 571556450 /nfs/dbraw/zinc/55/64/50/571556450.db2.gz BKFVSNQCVHJVEV-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223826942 571557419 /nfs/dbraw/zinc/55/74/19/571557419.db2.gz PSVOIILKXOGADR-GOSISDBHSA-N 0 0 538.066 3.558 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223827004 571557531 /nfs/dbraw/zinc/55/75/31/571557531.db2.gz PSVOIILKXOGADR-SFHVURJKSA-N 0 0 538.066 3.558 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223828032 571557621 /nfs/dbraw/zinc/55/76/21/571557621.db2.gz DDGNYBMTSDBKEF-GOSISDBHSA-N 0 0 512.047 3.969 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223828091 571557686 /nfs/dbraw/zinc/55/76/86/571557686.db2.gz DDGNYBMTSDBKEF-SFHVURJKSA-N 0 0 512.047 3.969 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223828592 571557692 /nfs/dbraw/zinc/55/76/92/571557692.db2.gz NGXJHPGHQSYROL-QGZVFWFLSA-N 0 0 531.572 3.944 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000223828641 571557635 /nfs/dbraw/zinc/55/76/35/571557635.db2.gz NGXJHPGHQSYROL-KRWDZBQOSA-N 0 0 531.572 3.944 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223828756 571557633 /nfs/dbraw/zinc/55/76/33/571557633.db2.gz HAAWFONMHGXHBP-HXUWFJFHSA-N 0 0 523.099 3.513 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223828810 571557679 /nfs/dbraw/zinc/55/76/79/571557679.db2.gz HAAWFONMHGXHBP-FQEVSTJZSA-N 0 0 523.099 3.513 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223829144 571557864 /nfs/dbraw/zinc/55/78/64/571557864.db2.gz AIXPHVRKQAJQOB-GOSISDBHSA-N 0 0 512.047 3.887 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223829205 571557869 /nfs/dbraw/zinc/55/78/69/571557869.db2.gz AIXPHVRKQAJQOB-SFHVURJKSA-N 0 0 512.047 3.887 40 0 KHABRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccccc1 ZINC000223829958 571557877 /nfs/dbraw/zinc/55/78/77/571557877.db2.gz WKEONGCYIFHHTG-UHFFFAOYSA-N 0 0 536.391 3.682 40 0 KHABRN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000223830214 571558010 /nfs/dbraw/zinc/55/80/10/571558010.db2.gz XDMCNIIILPVGQB-UHFFFAOYSA-N 0 0 511.050 3.757 40 0 KHABRN Cc1cccc(OCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223830461 571557950 /nfs/dbraw/zinc/55/79/50/571557950.db2.gz HHAJIQIZGCQTKZ-UHFFFAOYSA-N 0 0 550.418 3.990 40 0 KHABRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCc1ccc(F)cc1 ZINC000223830554 571557945 /nfs/dbraw/zinc/55/79/45/571557945.db2.gz AYNZCJBVPSSMNO-UHFFFAOYSA-N 0 0 538.382 3.985 40 0 KHABRN Cc1ccccc1OCCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000223830652 571557935 /nfs/dbraw/zinc/55/79/35/571557935.db2.gz JLRMAVYAJVKZSY-UHFFFAOYSA-N 0 0 550.418 3.990 40 0 KHABRN COc1ccccc1OCCNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000223830912 571557952 /nfs/dbraw/zinc/55/79/52/571557952.db2.gz HQGNQHGEWPTOFG-UHFFFAOYSA-N 0 0 566.417 3.690 40 0 KHABRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCOCc1ccccc1 ZINC000223830999 571557975 /nfs/dbraw/zinc/55/79/75/571557975.db2.gz VLFUZGGQAMFYML-UHFFFAOYSA-N 0 0 550.418 3.820 40 0 KHABRN COc1cccc(OCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000223831180 571558143 /nfs/dbraw/zinc/55/81/43/571558143.db2.gz TWLOQLZUNIKDMS-UHFFFAOYSA-N 0 0 566.417 3.690 40 0 KHABRN COc1ccc(OCCNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223831269 571558110 /nfs/dbraw/zinc/55/81/10/571558110.db2.gz UXUNRRJUIJRWGL-UHFFFAOYSA-N 0 0 566.417 3.690 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223831788 571558134 /nfs/dbraw/zinc/55/81/34/571558134.db2.gz YZZDNFBHJCXLAA-UHFFFAOYSA-N 0 0 519.023 3.774 40 0 KHABRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(F)cc1 ZINC000223831875 571558132 /nfs/dbraw/zinc/55/81/32/571558132.db2.gz YULCIIXQGVQVMO-UHFFFAOYSA-N 0 0 554.381 3.821 40 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CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223862253 571563738 /nfs/dbraw/zinc/56/37/38/571563738.db2.gz FYCPHJDYNSKCQP-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223862308 571563756 /nfs/dbraw/zinc/56/37/56/571563756.db2.gz FYCPHJDYNSKCQP-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223862379 571563697 /nfs/dbraw/zinc/56/36/97/571563697.db2.gz SHNJAYGCKGDHQZ-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223862439 571563850 /nfs/dbraw/zinc/56/38/50/571563850.db2.gz SHNJAYGCKGDHQZ-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223862512 571563853 /nfs/dbraw/zinc/56/38/53/571563853.db2.gz DKKCQBKXSRYPDJ-MRXNPFEDSA-N 0 0 558.484 3.822 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223862566 571563859 /nfs/dbraw/zinc/56/38/59/571563859.db2.gz DKKCQBKXSRYPDJ-INIZCTEOSA-N 0 0 558.484 3.822 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223862669 571563844 /nfs/dbraw/zinc/56/38/44/571563844.db2.gz JXCMWYROXOKDSP-OAQYLSRUSA-N 0 0 541.645 3.973 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223862733 571563861 /nfs/dbraw/zinc/56/38/61/571563861.db2.gz JXCMWYROXOKDSP-NRFANRHFSA-N 0 0 541.645 3.973 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223864248 571564018 /nfs/dbraw/zinc/56/40/18/571564018.db2.gz NQYLQDUVVMVENB-GOSISDBHSA-N 0 0 543.517 3.776 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223864308 571564020 /nfs/dbraw/zinc/56/40/20/571564020.db2.gz NQYLQDUVVMVENB-SFHVURJKSA-N 0 0 543.517 3.776 40 0 KHABRN CCOc1ccccc1N(CC(=O)Nc1nnc(SCC(=O)OC)s1)S(=O)(=O)c1ccc(SC)cc1 ZINC000223864771 571564211 /nfs/dbraw/zinc/56/42/11/571564211.db2.gz YQEMHKCRKFHFRM-UHFFFAOYSA-N 0 0 568.724 3.758 40 0 KHABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000223864831 571564190 /nfs/dbraw/zinc/56/41/90/571564190.db2.gz FNFGIPIAMRXOGI-KRWDZBQOSA-N 0 0 510.703 3.724 40 0 KHABRN COc1cccc(N(CCCC(=O)Nc2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 ZINC000223864850 571564184 /nfs/dbraw/zinc/56/41/84/571564184.db2.gz LFGORMMGCVZOAX-UHFFFAOYSA-N 0 0 569.680 3.870 40 0 KHABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000223864873 571564227 /nfs/dbraw/zinc/56/42/27/571564227.db2.gz FNFGIPIAMRXOGI-QGZVFWFLSA-N 0 0 510.703 3.724 40 0 KHABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)N1CCCCCC1 ZINC000223864928 571564164 /nfs/dbraw/zinc/56/41/64/571564164.db2.gz PNLQURFOVNGEPD-KRWDZBQOSA-N 0 0 510.703 3.868 40 0 KHABRN CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1C(=O)N1CCCCCC1 ZINC000223864989 571564215 /nfs/dbraw/zinc/56/42/15/571564215.db2.gz PNLQURFOVNGEPD-QGZVFWFLSA-N 0 0 510.703 3.868 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223865559 571564268 /nfs/dbraw/zinc/56/42/68/571564268.db2.gz AEIBQMQXEXJFEP-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223865623 571564344 /nfs/dbraw/zinc/56/43/44/571564344.db2.gz AEIBQMQXEXJFEP-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000223866258 571564323 /nfs/dbraw/zinc/56/43/23/571564323.db2.gz AQMVNCXXGMUSEB-OAQYLSRUSA-N 0 0 571.671 3.982 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 ZINC000223866312 571564275 /nfs/dbraw/zinc/56/42/75/571564275.db2.gz AQMVNCXXGMUSEB-NRFANRHFSA-N 0 0 571.671 3.982 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223867686 571564466 /nfs/dbraw/zinc/56/44/66/571564466.db2.gz LPRLMASXLBXITQ-OAQYLSRUSA-N 0 0 571.671 3.982 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223867746 571564471 /nfs/dbraw/zinc/56/44/71/571564471.db2.gz LPRLMASXLBXITQ-NRFANRHFSA-N 0 0 571.671 3.982 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223867826 571564630 /nfs/dbraw/zinc/56/46/30/571564630.db2.gz GGIZJEBUUUGVIH-OAQYLSRUSA-N 0 0 631.723 3.999 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223867882 571564651 /nfs/dbraw/zinc/56/46/51/571564651.db2.gz GGIZJEBUUUGVIH-NRFANRHFSA-N 0 0 631.723 3.999 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223867965 571564644 /nfs/dbraw/zinc/56/46/44/571564644.db2.gz ZGQQIKMTPXQJRW-HXUWFJFHSA-N 0 0 587.645 3.875 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223868034 571564663 /nfs/dbraw/zinc/56/46/63/571564663.db2.gz ZGQQIKMTPXQJRW-FQEVSTJZSA-N 0 0 587.645 3.875 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223868118 571564660 /nfs/dbraw/zinc/56/46/60/571564660.db2.gz NAKGREFPLSXTMF-QGZVFWFLSA-N 0 0 542.471 3.606 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000223868172 571564652 /nfs/dbraw/zinc/56/46/52/571564652.db2.gz NAKGREFPLSXTMF-KRWDZBQOSA-N 0 0 542.471 3.606 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223868546 571564658 /nfs/dbraw/zinc/56/46/58/571564658.db2.gz BUJDAZAVSWOQLG-OAHLLOKOSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223868596 571564831 /nfs/dbraw/zinc/56/48/31/571564831.db2.gz BUJDAZAVSWOQLG-HNNXBMFYSA-N 0 0 518.438 3.842 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223870717 571565088 /nfs/dbraw/zinc/56/50/88/571565088.db2.gz HNLCLKDKMGRRJZ-OAQYLSRUSA-N 0 0 569.655 3.736 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000223870768 571565091 /nfs/dbraw/zinc/56/50/91/571565091.db2.gz HNLCLKDKMGRRJZ-NRFANRHFSA-N 0 0 569.655 3.736 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223871147 571565183 /nfs/dbraw/zinc/56/51/83/571565183.db2.gz IFWCTEYHXPSXMA-CQSZACIVSA-N 0 0 520.866 3.821 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223871198 571565333 /nfs/dbraw/zinc/56/53/33/571565333.db2.gz IFWCTEYHXPSXMA-AWEZNQCLSA-N 0 0 520.866 3.821 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223871404 571565342 /nfs/dbraw/zinc/56/53/42/571565342.db2.gz AJWSTWUTEOQYKM-QGZVFWFLSA-N 0 0 514.475 3.948 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223871452 571565278 /nfs/dbraw/zinc/56/52/78/571565278.db2.gz AJWSTWUTEOQYKM-KRWDZBQOSA-N 0 0 514.475 3.948 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223871768 571565289 /nfs/dbraw/zinc/56/52/89/571565289.db2.gz XKOVFUNLEBUULJ-GOSISDBHSA-N 0 0 542.073 3.977 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223871815 571565345 /nfs/dbraw/zinc/56/53/45/571565345.db2.gz XKOVFUNLEBUULJ-SFHVURJKSA-N 0 0 542.073 3.977 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223871897 571565295 /nfs/dbraw/zinc/56/52/95/571565295.db2.gz SWFFJLSVDBWRGZ-OAQYLSRUSA-N 0 0 505.656 3.932 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223871942 571565514 /nfs/dbraw/zinc/56/55/14/571565514.db2.gz SWFFJLSVDBWRGZ-NRFANRHFSA-N 0 0 505.656 3.932 40 0 KHABRN C[C@@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000223872024 571565452 /nfs/dbraw/zinc/56/54/52/571565452.db2.gz ATYREHFNIVYHSX-MWTRTKDXSA-N 0 0 535.043 3.577 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000223872033 571565506 /nfs/dbraw/zinc/56/55/06/571565506.db2.gz BWDZUDNNFOPGFQ-LJQANCHMSA-N 0 0 505.656 3.833 40 0 KHABRN C[C@H](NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc2O1)c1ccc(S(C)(=O)=O)cc1 ZINC000223872083 571565552 /nfs/dbraw/zinc/56/55/52/571565552.db2.gz ATYREHFNIVYHSX-HJPURHCSSA-N 0 0 535.043 3.577 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000223872089 571565520 /nfs/dbraw/zinc/56/55/20/571565520.db2.gz BWDZUDNNFOPGFQ-IBGZPJMESA-N 0 0 505.656 3.833 40 0 KHABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccc(C)cc32)cc1 ZINC000223872157 571565462 /nfs/dbraw/zinc/56/54/62/571565462.db2.gz IPYIQSDVLVBMNZ-DFBJGRDBSA-N 0 0 528.652 3.541 40 0 KHABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3cc(C)ccc32)cc1 ZINC000223872243 571565565 /nfs/dbraw/zinc/56/55/65/571565565.db2.gz WDMMXGRZMYLTCS-DFBJGRDBSA-N 0 0 528.652 3.541 40 0 KHABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccc(Cl)cc32)cc1 ZINC000223872413 571565526 /nfs/dbraw/zinc/56/55/26/571565526.db2.gz NQQWECYRLOXQAQ-XDHUDOTRSA-N 0 0 549.070 3.886 40 0 KHABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)Oc3ccc(Cl)cc32)cc1 ZINC000223872861 571565663 /nfs/dbraw/zinc/56/56/63/571565663.db2.gz NTAPNMMTCKHBAR-FYSMJZIKSA-N 0 0 565.069 3.586 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223873495 571565882 /nfs/dbraw/zinc/56/58/82/571565882.db2.gz ABYNJUNPYRUDHL-OAQYLSRUSA-N 0 0 505.656 3.932 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223873536 571565884 /nfs/dbraw/zinc/56/58/84/571565884.db2.gz MVONMNAWDRHIJR-QGZVFWFLSA-N 0 0 572.511 3.864 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223873561 571565803 /nfs/dbraw/zinc/56/58/03/571565803.db2.gz ABYNJUNPYRUDHL-NRFANRHFSA-N 0 0 505.656 3.932 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223873588 571565867 /nfs/dbraw/zinc/56/58/67/571565867.db2.gz MVONMNAWDRHIJR-KRWDZBQOSA-N 0 0 572.511 3.864 40 0 KHABRN COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OC ZINC000223876231 571566360 /nfs/dbraw/zinc/56/63/60/571566360.db2.gz CGKJMEREGMVVDL-UHFFFAOYSA-N 0 0 517.416 3.935 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 ZINC000223877221 571566511 /nfs/dbraw/zinc/56/65/11/571566511.db2.gz RLNKZORJXJOVQH-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223877306 571566496 /nfs/dbraw/zinc/56/64/96/571566496.db2.gz IQUJNZWERKAUOW-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1cc(C)cc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000223877383 571566491 /nfs/dbraw/zinc/56/64/91/571566491.db2.gz XGENTTJMAAQEDR-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C ZINC000223877466 571566442 /nfs/dbraw/zinc/56/64/42/571566442.db2.gz UHRUCPHNQJOLGN-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223877541 571566460 /nfs/dbraw/zinc/56/64/60/571566460.db2.gz RXKDIIZYCVBBMW-IBGZPJMESA-N 0 0 503.640 3.630 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223877700 571566432 /nfs/dbraw/zinc/56/64/32/571566432.db2.gz DIMWQJMLBKPDCF-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223877753 571566466 /nfs/dbraw/zinc/56/64/66/571566466.db2.gz DIMWQJMLBKPDCF-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223877822 571566451 /nfs/dbraw/zinc/56/64/51/571566451.db2.gz QIQUMIOKKAMHJD-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223877870 571566426 /nfs/dbraw/zinc/56/64/26/571566426.db2.gz QIQUMIOKKAMHJD-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223877944 571566423 /nfs/dbraw/zinc/56/64/23/571566423.db2.gz PXKYMILTMSVOPY-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223878001 571566438 /nfs/dbraw/zinc/56/64/38/571566438.db2.gz PXKYMILTMSVOPY-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223878079 571566718 /nfs/dbraw/zinc/56/67/18/571566718.db2.gz RVGALXHEGWASCL-KRWDZBQOSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223878138 571566635 /nfs/dbraw/zinc/56/66/35/571566635.db2.gz RVGALXHEGWASCL-QGZVFWFLSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223878208 571566630 /nfs/dbraw/zinc/56/66/30/571566630.db2.gz VDRIILPKMDPYLD-KRWDZBQOSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223878262 571566683 /nfs/dbraw/zinc/56/66/83/571566683.db2.gz VDRIILPKMDPYLD-QGZVFWFLSA-N 0 0 554.482 3.830 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223879397 571566888 /nfs/dbraw/zinc/56/68/88/571566888.db2.gz DLVDKBLQBGAFGL-HXUWFJFHSA-N 0 0 540.469 3.862 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223879447 571566864 /nfs/dbraw/zinc/56/68/64/571566864.db2.gz DLVDKBLQBGAFGL-FQEVSTJZSA-N 0 0 540.469 3.862 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223879502 571566878 /nfs/dbraw/zinc/56/68/78/571566878.db2.gz HQVKEEOFLRZOEL-KRWDZBQOSA-N 0 0 540.057 3.730 40 0 KHABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223879954 571566848 /nfs/dbraw/zinc/56/68/48/571566848.db2.gz MKGHDTZBVGRZKI-CHWSQXEVSA-N 0 0 526.986 3.794 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl ZINC000223880006 571566826 /nfs/dbraw/zinc/56/68/26/571566826.db2.gz YAPQZMYUIPTYGZ-KRWDZBQOSA-N 0 0 540.057 3.730 40 0 KHABRN C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000223880013 571566890 /nfs/dbraw/zinc/56/68/90/571566890.db2.gz MKGHDTZBVGRZKI-QWHCGFSZSA-N 0 0 526.986 3.794 40 0 KHABRN Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000223880221 571567084 /nfs/dbraw/zinc/56/70/84/571567084.db2.gz DUILAMVINOTGGT-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223880437 571567027 /nfs/dbraw/zinc/56/70/27/571567027.db2.gz OAEUOPJCDLFDCM-KRWDZBQOSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223880490 571567081 /nfs/dbraw/zinc/56/70/81/571567081.db2.gz OAEUOPJCDLFDCM-QGZVFWFLSA-N 0 0 554.482 3.830 40 0 KHABRN Cc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1C ZINC000223880716 571567078 /nfs/dbraw/zinc/56/70/78/571567078.db2.gz YIJUUVDFNICTFE-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223880982 571567125 /nfs/dbraw/zinc/56/71/25/571567125.db2.gz JPKSVWQJCZQDMT-GOSISDBHSA-N 0 0 512.047 3.969 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223881045 571567153 /nfs/dbraw/zinc/56/71/53/571567153.db2.gz JPKSVWQJCZQDMT-SFHVURJKSA-N 0 0 512.047 3.969 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223881115 571567255 /nfs/dbraw/zinc/56/72/55/571567255.db2.gz HSFMHJNWCKKXHA-GOSISDBHSA-N 0 0 512.047 3.969 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223881186 571567204 /nfs/dbraw/zinc/56/72/04/571567204.db2.gz HSFMHJNWCKKXHA-SFHVURJKSA-N 0 0 512.047 3.969 40 0 KHABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223881602 571567149 /nfs/dbraw/zinc/56/71/49/571567149.db2.gz NSQGVFCHNBKUKZ-UGSOOPFHSA-N 0 0 507.461 3.819 40 0 KHABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223881654 571567134 /nfs/dbraw/zinc/56/71/34/571567134.db2.gz NSQGVFCHNBKUKZ-SCLBCKFNSA-N 0 0 507.461 3.819 40 0 KHABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223881741 571567319 /nfs/dbraw/zinc/56/73/19/571567319.db2.gz MXOYMEXWENVIEB-DJJJIMSYSA-N 0 0 507.461 3.819 40 0 KHABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223881788 571567355 /nfs/dbraw/zinc/56/73/55/571567355.db2.gz MXOYMEXWENVIEB-ORAYPTAESA-N 0 0 507.461 3.819 40 0 KHABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223881873 571567311 /nfs/dbraw/zinc/56/73/11/571567311.db2.gz JVQPAJVKZXGQCM-DJJJIMSYSA-N 0 0 507.461 3.819 40 0 KHABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223881922 571567388 /nfs/dbraw/zinc/56/73/88/571567388.db2.gz JVQPAJVKZXGQCM-ORAYPTAESA-N 0 0 507.461 3.819 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223882353 571567334 /nfs/dbraw/zinc/56/73/34/571567334.db2.gz PGQZSOHXKJPEDZ-OAQYLSRUSA-N 0 0 505.656 3.932 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223882414 571567519 /nfs/dbraw/zinc/56/75/19/571567519.db2.gz PGQZSOHXKJPEDZ-NRFANRHFSA-N 0 0 505.656 3.932 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223882534 571567521 /nfs/dbraw/zinc/56/75/21/571567521.db2.gz VNGIHMMJTAGUFT-KRWDZBQOSA-N 0 0 601.482 3.672 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223882592 571567511 /nfs/dbraw/zinc/56/75/11/571567511.db2.gz VNGIHMMJTAGUFT-QGZVFWFLSA-N 0 0 601.482 3.672 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O ZINC000223882937 571567541 /nfs/dbraw/zinc/56/75/41/571567541.db2.gz JDYGQYJKDMSJME-HXUWFJFHSA-N 0 0 521.655 3.714 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1OCC)S(C)(=O)=O ZINC000223882994 571567560 /nfs/dbraw/zinc/56/75/60/571567560.db2.gz JDYGQYJKDMSJME-FQEVSTJZSA-N 0 0 521.655 3.714 40 0 KHABRN CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223883012 571567502 /nfs/dbraw/zinc/56/75/02/571567502.db2.gz ZQXQANNEKROFHV-IBGZPJMESA-N 0 0 503.640 3.630 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223883068 571567667 /nfs/dbraw/zinc/56/76/67/571567667.db2.gz XVLBNDIAGVKOMJ-HXUWFJFHSA-N 0 0 521.655 3.714 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223883124 571567690 /nfs/dbraw/zinc/56/76/90/571567690.db2.gz XVLBNDIAGVKOMJ-FQEVSTJZSA-N 0 0 521.655 3.714 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223883339 571567712 /nfs/dbraw/zinc/56/77/12/571567712.db2.gz QCAJINXFVGXTSW-OAQYLSRUSA-N 0 0 505.656 3.932 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223883397 571567676 /nfs/dbraw/zinc/56/76/76/571567676.db2.gz QCAJINXFVGXTSW-NRFANRHFSA-N 0 0 505.656 3.932 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223883469 571567656 /nfs/dbraw/zinc/56/76/56/571567656.db2.gz LRPBSWPPCGFPGJ-HXUWFJFHSA-N 0 0 505.656 3.878 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223883518 571567706 /nfs/dbraw/zinc/56/77/06/571567706.db2.gz LRPBSWPPCGFPGJ-FQEVSTJZSA-N 0 0 505.656 3.878 40 0 KHABRN C[C@@H](NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223883656 571567695 /nfs/dbraw/zinc/56/76/95/571567695.db2.gz VJVZTJRUBBATIF-OAHLLOKOSA-N 0 0 506.568 3.533 40 0 KHABRN C[C@H](NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223883708 571567699 /nfs/dbraw/zinc/56/76/99/571567699.db2.gz VJVZTJRUBBATIF-HNNXBMFYSA-N 0 0 506.568 3.533 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223884004 571567815 /nfs/dbraw/zinc/56/78/15/571567815.db2.gz DNCPLCDUFRJUJC-QGZVFWFLSA-N 0 0 513.582 3.594 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223884056 571567840 /nfs/dbraw/zinc/56/78/40/571567840.db2.gz DNCPLCDUFRJUJC-KRWDZBQOSA-N 0 0 513.582 3.594 40 0 KHABRN C[C@@H](NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223884740 571568003 /nfs/dbraw/zinc/56/80/03/571568003.db2.gz ZXUFSHCOBYEORD-CQSZACIVSA-N 0 0 507.461 3.821 40 0 KHABRN C[C@H](NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000223884807 571568043 /nfs/dbraw/zinc/56/80/43/571568043.db2.gz ZXUFSHCOBYEORD-AWEZNQCLSA-N 0 0 507.461 3.821 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223885123 571568038 /nfs/dbraw/zinc/56/80/38/571568038.db2.gz IQPOBWGRQKYKKZ-INIZCTEOSA-N 0 0 528.021 3.860 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223885175 571568050 /nfs/dbraw/zinc/56/80/50/571568050.db2.gz IQPOBWGRQKYKKZ-MRXNPFEDSA-N 0 0 528.021 3.860 40 0 KHABRN CCOc1ccccc1N(Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)S(C)(=O)=O ZINC000223885224 571568183 /nfs/dbraw/zinc/56/81/83/571568183.db2.gz SIPNOHIQUKJPCW-IBGZPJMESA-N 0 0 530.668 3.946 40 0 KHABRN CCOc1ccc(N(Cc2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)S(C)(=O)=O)cc1 ZINC000223885295 571568223 /nfs/dbraw/zinc/56/82/23/571568223.db2.gz TUHICVNTHPJQQV-IBGZPJMESA-N 0 0 530.668 3.946 40 0 KHABRN C[C@@H](NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223885373 571568119 /nfs/dbraw/zinc/56/81/19/571568119.db2.gz NBZCEQJXSVXDBE-QGZVFWFLSA-N 0 0 504.605 3.686 40 0 KHABRN C[C@H](NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223885433 571568115 /nfs/dbraw/zinc/56/81/15/571568115.db2.gz NBZCEQJXSVXDBE-KRWDZBQOSA-N 0 0 504.605 3.686 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223888237 571568663 /nfs/dbraw/zinc/56/86/63/571568663.db2.gz LIQHIPFGVBTOEN-IBGZPJMESA-N 0 0 547.649 3.577 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223888289 571568613 /nfs/dbraw/zinc/56/86/13/571568613.db2.gz LIQHIPFGVBTOEN-LJQANCHMSA-N 0 0 547.649 3.577 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223889306 571568800 /nfs/dbraw/zinc/56/88/00/571568800.db2.gz MBIUQDZSKTUHMA-IBGZPJMESA-N 0 0 521.630 3.987 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000223889353 571568756 /nfs/dbraw/zinc/56/87/56/571568756.db2.gz MBIUQDZSKTUHMA-LJQANCHMSA-N 0 0 521.630 3.987 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(=O)(=O)N(C)C)c1 ZINC000223889807 571568987 /nfs/dbraw/zinc/56/89/87/571568987.db2.gz IKRMMLNRCBOQLJ-NRFANRHFSA-N 0 0 532.682 3.531 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223890939 571569111 /nfs/dbraw/zinc/56/91/11/571569111.db2.gz KSEKMJAXKQGLAV-MRXNPFEDSA-N 0 0 500.448 3.621 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223890992 571569082 /nfs/dbraw/zinc/56/90/82/571569082.db2.gz KSEKMJAXKQGLAV-INIZCTEOSA-N 0 0 500.448 3.621 40 0 KHABRN 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CCOc1ccc(N(CC(=O)NCCOc2ccccc2OC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223901889 571571334 /nfs/dbraw/zinc/57/13/34/571571334.db2.gz YEAMEWRXPOBNCV-UHFFFAOYSA-N 0 0 502.564 3.624 40 0 KHABRN CCOc1ccc(N(CC(=O)NCCOc2cccc(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223902128 571571535 /nfs/dbraw/zinc/57/15/35/571571535.db2.gz DNTOPYXGHLZRFE-UHFFFAOYSA-N 0 0 502.564 3.624 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223902131 571571454 /nfs/dbraw/zinc/57/14/54/571571454.db2.gz FTRLQSJVOUSDKL-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223902189 571571422 /nfs/dbraw/zinc/57/14/22/571571422.db2.gz FTRLQSJVOUSDKL-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCOc1ccc(N(CC(=O)NCCOc2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000223902205 571571509 /nfs/dbraw/zinc/57/15/09/571571509.db2.gz KOBWGJVVEGPAED-UHFFFAOYSA-N 0 0 502.564 3.624 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223902212 571571498 /nfs/dbraw/zinc/57/14/98/571571498.db2.gz IZMQDPRIOYHCNK-OAHLLOKOSA-N 0 0 528.458 3.515 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000223902261 571571467 /nfs/dbraw/zinc/57/14/67/571571467.db2.gz IZMQDPRIOYHCNK-HNNXBMFYSA-N 0 0 528.458 3.515 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223902274 571571502 /nfs/dbraw/zinc/57/15/02/571571502.db2.gz CSTGDCWHVZFCDC-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223902328 571571511 /nfs/dbraw/zinc/57/15/11/571571511.db2.gz CSTGDCWHVZFCDC-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223902396 571571475 /nfs/dbraw/zinc/57/14/75/571571475.db2.gz DDQYIMYNNSMOLS-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223902454 571571499 /nfs/dbraw/zinc/57/14/99/571571499.db2.gz DDQYIMYNNSMOLS-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223902526 571571478 /nfs/dbraw/zinc/57/14/78/571571478.db2.gz BPOHQBBNGZBUFU-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223902582 571571516 /nfs/dbraw/zinc/57/15/16/571571516.db2.gz BPOHQBBNGZBUFU-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223902663 571571622 /nfs/dbraw/zinc/57/16/22/571571622.db2.gz LEAHTQPKIARWMI-GOSISDBHSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223902727 571571667 /nfs/dbraw/zinc/57/16/67/571571667.db2.gz LEAHTQPKIARWMI-SFHVURJKSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223902962 571571639 /nfs/dbraw/zinc/57/16/39/571571639.db2.gz YMKOGJHENNTMDB-MRXNPFEDSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223903009 571571625 /nfs/dbraw/zinc/57/16/25/571571625.db2.gz YMKOGJHENNTMDB-INIZCTEOSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223903112 571571670 /nfs/dbraw/zinc/57/16/70/571571670.db2.gz GLUGQFUXDPCXHA-MRXNPFEDSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223903167 571571654 /nfs/dbraw/zinc/57/16/54/571571654.db2.gz GLUGQFUXDPCXHA-INIZCTEOSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223903256 571571638 /nfs/dbraw/zinc/57/16/38/571571638.db2.gz UXUYSPMNUFETSE-MRXNPFEDSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223903309 571571594 /nfs/dbraw/zinc/57/15/94/571571594.db2.gz UXUYSPMNUFETSE-INIZCTEOSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223903381 571571662 /nfs/dbraw/zinc/57/16/62/571571662.db2.gz VRFCTQLHXJVIDO-MRXNPFEDSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223903435 571571609 /nfs/dbraw/zinc/57/16/09/571571609.db2.gz VRFCTQLHXJVIDO-INIZCTEOSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223903517 571571774 /nfs/dbraw/zinc/57/17/74/571571774.db2.gz BPZGMGSJAPEZGP-MRXNPFEDSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223903565 571571758 /nfs/dbraw/zinc/57/17/58/571571758.db2.gz BPZGMGSJAPEZGP-INIZCTEOSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223903917 571571731 /nfs/dbraw/zinc/57/17/31/571571731.db2.gz GQLSPCXQRXYPDP-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223903978 571571779 /nfs/dbraw/zinc/57/17/79/571571779.db2.gz GQLSPCXQRXYPDP-SFHVURJKSA-N 0 0 554.507 3.557 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223904052 571571763 /nfs/dbraw/zinc/57/17/63/571571763.db2.gz GJBFMENFMVPHPF-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223904107 571571745 /nfs/dbraw/zinc/57/17/45/571571745.db2.gz GJBFMENFMVPHPF-SFHVURJKSA-N 0 0 554.507 3.557 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223904542 571571926 /nfs/dbraw/zinc/57/19/26/571571926.db2.gz OYXVGFJXDQTELN-CYBMUJFWSA-N 0 0 522.401 3.591 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223904603 571571897 /nfs/dbraw/zinc/57/18/97/571571897.db2.gz OYXVGFJXDQTELN-ZDUSSCGKSA-N 0 0 522.401 3.591 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223905173 571572052 /nfs/dbraw/zinc/57/20/52/571572052.db2.gz QABOGCCUEIKWJW-MRXNPFEDSA-N 0 0 574.925 3.821 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223905229 571572059 /nfs/dbraw/zinc/57/20/59/571572059.db2.gz QABOGCCUEIKWJW-INIZCTEOSA-N 0 0 574.925 3.821 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 ZINC000223905755 571572181 /nfs/dbraw/zinc/57/21/81/571572181.db2.gz POBRSDUBDFBFAZ-UHFFFAOYSA-N 0 0 579.741 3.624 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000223905821 571572238 /nfs/dbraw/zinc/57/22/38/571572238.db2.gz BZVVLUJLSPBLSQ-UHFFFAOYSA-N 0 0 504.992 3.748 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223905867 571572202 /nfs/dbraw/zinc/57/22/02/571572202.db2.gz IRHSUCOMVOIILP-MRXNPFEDSA-N 0 0 558.484 3.822 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223905934 571572208 /nfs/dbraw/zinc/57/22/08/571572208.db2.gz IRHSUCOMVOIILP-INIZCTEOSA-N 0 0 558.484 3.822 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223905987 571572205 /nfs/dbraw/zinc/57/22/05/571572205.db2.gz QDQHUFUXSLGVHO-MRXNPFEDSA-N 0 0 574.925 3.821 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223906038 571572199 /nfs/dbraw/zinc/57/21/99/571572199.db2.gz QDQHUFUXSLGVHO-INIZCTEOSA-N 0 0 574.925 3.821 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223906259 571572375 /nfs/dbraw/zinc/57/23/75/571572375.db2.gz GKJTUXAPRICPEJ-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223906316 571572399 /nfs/dbraw/zinc/57/23/99/571572399.db2.gz GKJTUXAPRICPEJ-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223906534 571572384 /nfs/dbraw/zinc/57/23/84/571572384.db2.gz OEMTUYKIDLRJOK-MRXNPFEDSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223906590 571572404 /nfs/dbraw/zinc/57/24/04/571572404.db2.gz OEMTUYKIDLRJOK-INIZCTEOSA-N 0 0 589.350 3.921 40 0 KHABRN COc1ccccc1OCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223906632 571572396 /nfs/dbraw/zinc/57/23/96/571572396.db2.gz KYSMNEJTUBAPMZ-UHFFFAOYSA-N 0 0 535.018 3.756 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOCc2ccccc2)c2ccc(Cl)cc2)cc1OC ZINC000223906722 571572355 /nfs/dbraw/zinc/57/23/55/571572355.db2.gz UPFKJBSRJITODU-UHFFFAOYSA-N 0 0 519.019 3.886 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223906802 571572414 /nfs/dbraw/zinc/57/24/14/571572414.db2.gz OKIJTPOKIQCMOU-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223906856 571572361 /nfs/dbraw/zinc/57/23/61/571572361.db2.gz OKIJTPOKIQCMOU-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN COc1cccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000223906883 571572514 /nfs/dbraw/zinc/57/25/14/571572514.db2.gz MTRYRDZPYKLKEK-UHFFFAOYSA-N 0 0 535.018 3.756 40 0 KHABRN COc1ccc(OCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223906976 571572457 /nfs/dbraw/zinc/57/24/57/571572457.db2.gz JBRUHMAHBDCRBB-UHFFFAOYSA-N 0 0 535.018 3.756 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(F)cc2)c2ccc(Cl)cc2)cc1OC ZINC000223907551 571572709 /nfs/dbraw/zinc/57/27/09/571572709.db2.gz RBHDXLXEJQRLPJ-UHFFFAOYSA-N 0 0 522.982 3.887 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223907638 571572669 /nfs/dbraw/zinc/57/26/69/571572669.db2.gz GDAOODYAQPOTFG-GOSISDBHSA-N 0 0 543.517 3.776 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223907698 571572630 /nfs/dbraw/zinc/57/26/30/571572630.db2.gz GDAOODYAQPOTFG-SFHVURJKSA-N 0 0 543.517 3.776 40 0 KHABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3nnc(SC(C)C)s3)Oc3ccc(C)cc32)cc1 ZINC000223908413 571572793 /nfs/dbraw/zinc/57/27/93/571572793.db2.gz ZKTIKHMAXNTQCY-IBGZPJMESA-N 0 0 520.658 3.951 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223909555 571573102 /nfs/dbraw/zinc/57/31/02/571573102.db2.gz OLLBCVCKQYBDMX-MRXNPFEDSA-N 0 0 636.350 3.763 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223909609 571573126 /nfs/dbraw/zinc/57/31/26/571573126.db2.gz OLLBCVCKQYBDMX-INIZCTEOSA-N 0 0 636.350 3.763 40 0 KHABRN COC(=O)CSc1nnc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)s1 ZINC000223909783 571573152 /nfs/dbraw/zinc/57/31/52/571573152.db2.gz IQDCYQRWQLBZCH-UHFFFAOYSA-N 0 0 546.574 3.656 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223910091 571573317 /nfs/dbraw/zinc/57/33/17/571573317.db2.gz IVCBYVWPZWKPML-GOSISDBHSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223910145 571573246 /nfs/dbraw/zinc/57/32/46/571573246.db2.gz IVCBYVWPZWKPML-SFHVURJKSA-N 0 0 538.508 3.721 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2OC)c2ccc(F)cc2)cc1 ZINC000223910839 571573466 /nfs/dbraw/zinc/57/34/66/571573466.db2.gz PCTGFXSCXLXWBG-UHFFFAOYSA-N 0 0 502.564 3.624 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(OC)c2)c2ccc(F)cc2)cc1 ZINC000223911015 571573398 /nfs/dbraw/zinc/57/33/98/571573398.db2.gz REXSCJBCJQZGSH-UHFFFAOYSA-N 0 0 502.564 3.624 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccc(OC)cc2)c2ccc(F)cc2)cc1 ZINC000223911077 571573470 /nfs/dbraw/zinc/57/34/70/571573470.db2.gz CVGWCDLTSDPQAT-UHFFFAOYSA-N 0 0 502.564 3.624 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223912957 571573945 /nfs/dbraw/zinc/57/39/45/571573945.db2.gz PZFROJOPGTWKEI-OAHLLOKOSA-N 0 0 562.889 3.951 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223913015 571573991 /nfs/dbraw/zinc/57/39/91/571573991.db2.gz PZFROJOPGTWKEI-HNNXBMFYSA-N 0 0 562.889 3.951 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223914260 571574270 /nfs/dbraw/zinc/57/42/70/571574270.db2.gz OSAMXULYKGOFSF-CQSZACIVSA-N 0 0 520.866 3.821 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223914314 571574366 /nfs/dbraw/zinc/57/43/66/571574366.db2.gz OSAMXULYKGOFSF-AWEZNQCLSA-N 0 0 520.866 3.821 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223914539 571574360 /nfs/dbraw/zinc/57/43/60/571574360.db2.gz UMPNGGWYROHVQE-QGZVFWFLSA-N 0 0 514.475 3.948 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223914594 571574380 /nfs/dbraw/zinc/57/43/80/571574380.db2.gz UMPNGGWYROHVQE-KRWDZBQOSA-N 0 0 514.475 3.948 40 0 KHABRN COC(=O)CSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)s1 ZINC000223914643 571574439 /nfs/dbraw/zinc/57/44/39/571574439.db2.gz JQCSRELSMSRQJT-UHFFFAOYSA-N 0 0 506.631 3.782 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223916701 571574893 /nfs/dbraw/zinc/57/48/93/571574893.db2.gz XIPFMNKLGNBSHP-QGZVFWFLSA-N 0 0 572.511 3.864 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223916754 571574882 /nfs/dbraw/zinc/57/48/82/571574882.db2.gz XIPFMNKLGNBSHP-KRWDZBQOSA-N 0 0 572.511 3.864 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223916900 571575031 /nfs/dbraw/zinc/57/50/31/571575031.db2.gz KTNMLQXQTAQDDP-GOSISDBHSA-N 0 0 582.517 3.668 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223916955 571575017 /nfs/dbraw/zinc/57/50/17/571575017.db2.gz KTNMLQXQTAQDDP-SFHVURJKSA-N 0 0 582.517 3.668 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2cccc(C)c2C)c2ccc(F)cc2)cc1OC ZINC000223918025 571575128 /nfs/dbraw/zinc/57/51/28/571575128.db2.gz JEYDAPUUNIRSQA-UHFFFAOYSA-N 0 0 516.591 3.850 40 0 KHABRN COc1ccc(OC)c(N(CC(=O)NCCOc2cccc(C)c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000223918514 571575281 /nfs/dbraw/zinc/57/52/81/571575281.db2.gz MQONLDHPEYJZRB-UHFFFAOYSA-N 0 0 558.653 3.728 40 0 KHABRN Cc1cccc(OCCNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1C ZINC000223918608 571575324 /nfs/dbraw/zinc/57/53/24/571575324.db2.gz PCCGYNCCNMFHGW-UHFFFAOYSA-N 0 0 514.575 3.604 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223918682 571575363 /nfs/dbraw/zinc/57/53/63/571575363.db2.gz XVJUGRNFYJNPEM-HXUWFJFHSA-N 0 0 567.550 3.622 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223918743 571575315 /nfs/dbraw/zinc/57/53/15/571575315.db2.gz XVJUGRNFYJNPEM-FQEVSTJZSA-N 0 0 567.550 3.622 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223921100 571575709 /nfs/dbraw/zinc/57/57/09/571575709.db2.gz QLPZJFKZQMRSOH-HNNXBMFYSA-N 0 0 538.453 3.614 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223921158 571575744 /nfs/dbraw/zinc/57/57/44/571575744.db2.gz QLPZJFKZQMRSOH-OAHLLOKOSA-N 0 0 538.453 3.614 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223922203 571575946 /nfs/dbraw/zinc/57/59/46/571575946.db2.gz VWQLJASJQXURDE-QGZVFWFLSA-N 0 0 514.420 3.769 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223922262 571575850 /nfs/dbraw/zinc/57/58/50/571575850.db2.gz VWQLJASJQXURDE-KRWDZBQOSA-N 0 0 514.420 3.769 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223922541 571576087 /nfs/dbraw/zinc/57/60/87/571576087.db2.gz HVGNJQIHPQBZRJ-INIZCTEOSA-N 0 0 570.495 3.964 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223922601 571576035 /nfs/dbraw/zinc/57/60/35/571576035.db2.gz HVGNJQIHPQBZRJ-MRXNPFEDSA-N 0 0 570.495 3.964 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223923292 571576179 /nfs/dbraw/zinc/57/61/79/571576179.db2.gz HUNWXPOYLDFSRB-LJQANCHMSA-N 0 0 538.508 3.939 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223923347 571576203 /nfs/dbraw/zinc/57/62/03/571576203.db2.gz HUNWXPOYLDFSRB-IBGZPJMESA-N 0 0 538.508 3.939 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223924316 571576385 /nfs/dbraw/zinc/57/63/85/571576385.db2.gz KBYCHIHESITAQQ-HXUWFJFHSA-N 0 0 540.469 3.862 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223924372 571576421 /nfs/dbraw/zinc/57/64/21/571576421.db2.gz KBYCHIHESITAQQ-FQEVSTJZSA-N 0 0 540.469 3.862 40 0 KHABRN Cc1cccc(OCCNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)c1C ZINC000223924990 571576528 /nfs/dbraw/zinc/57/65/28/571576528.db2.gz WBVMBXNJGLIDPV-UHFFFAOYSA-N 0 0 507.656 3.619 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)cc1OC ZINC000223925537 571576653 /nfs/dbraw/zinc/57/66/53/571576653.db2.gz LLQQGOHOJCWDOS-UHFFFAOYSA-N 0 0 504.992 3.991 40 0 KHABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOc3ccccc3Cl)cc2)cc1OC ZINC000223925626 571576610 /nfs/dbraw/zinc/57/66/10/571576610.db2.gz AQDSLMBVYBIASR-UHFFFAOYSA-N 0 0 504.992 3.991 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223925634 571576661 /nfs/dbraw/zinc/57/66/61/571576661.db2.gz NZPZOPDZYSVDSG-MRXNPFEDSA-N 0 0 544.899 3.667 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223925705 571576670 /nfs/dbraw/zinc/57/66/70/571576670.db2.gz NZPZOPDZYSVDSG-INIZCTEOSA-N 0 0 544.899 3.667 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223925917 571576727 /nfs/dbraw/zinc/57/67/27/571576727.db2.gz SATADYSVQVUJEW-LJQANCHMSA-N 0 0 538.508 3.793 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223925975 571576857 /nfs/dbraw/zinc/57/68/57/571576857.db2.gz SATADYSVQVUJEW-IBGZPJMESA-N 0 0 538.508 3.793 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223926753 571576989 /nfs/dbraw/zinc/57/69/89/571576989.db2.gz NUGSUZDRIDTSTR-LJQANCHMSA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223926811 571576922 /nfs/dbraw/zinc/57/69/22/571576922.db2.gz NUGSUZDRIDTSTR-IBGZPJMESA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223926893 571576991 /nfs/dbraw/zinc/57/69/91/571576991.db2.gz NWCOLIMSMBNAOE-LJQANCHMSA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223926953 571576933 /nfs/dbraw/zinc/57/69/33/571576933.db2.gz NWCOLIMSMBNAOE-IBGZPJMESA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223927031 571576950 /nfs/dbraw/zinc/57/69/50/571576950.db2.gz BATQFGDIWKOCED-LJQANCHMSA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223927093 571576976 /nfs/dbraw/zinc/57/69/76/571576976.db2.gz BATQFGDIWKOCED-IBGZPJMESA-N 0 0 568.534 3.947 40 0 KHABRN 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CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223935894 571578678 /nfs/dbraw/zinc/57/86/78/571578678.db2.gz PACHULQHEIPJMG-QGZVFWFLSA-N 0 0 514.475 3.930 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223935949 571578676 /nfs/dbraw/zinc/57/86/76/571578676.db2.gz PACHULQHEIPJMG-KRWDZBQOSA-N 0 0 514.475 3.930 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223936039 571578701 /nfs/dbraw/zinc/57/87/01/571578701.db2.gz MNJNUBNLPJXDKR-MRXNPFEDSA-N 0 0 514.475 3.875 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223936107 571578672 /nfs/dbraw/zinc/57/86/72/571578672.db2.gz MNJNUBNLPJXDKR-INIZCTEOSA-N 0 0 514.475 3.875 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223936343 571578866 /nfs/dbraw/zinc/57/88/66/571578866.db2.gz QEXSRSJUGBVLBR-CQSZACIVSA-N 0 0 520.866 3.966 40 0 KHABRN 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CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223937272 571579018 /nfs/dbraw/zinc/57/90/18/571579018.db2.gz WNTYUYPMLYLFHB-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223937322 571578968 /nfs/dbraw/zinc/57/89/68/571578968.db2.gz WNTYUYPMLYLFHB-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223937399 571578961 /nfs/dbraw/zinc/57/89/61/571578961.db2.gz GMSDONPCUCUHKE-MRXNPFEDSA-N 0 0 530.474 3.712 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223937458 571579067 /nfs/dbraw/zinc/57/90/67/571579067.db2.gz GMSDONPCUCUHKE-INIZCTEOSA-N 0 0 530.474 3.712 40 0 KHABRN CS(=O)(=O)N(CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCCO2 ZINC000223937588 571579179 /nfs/dbraw/zinc/57/91/79/571579179.db2.gz LRNDBCHLGAIKNV-UHFFFAOYSA-N 0 0 509.009 3.815 40 0 KHABRN 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CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223947251 571581239 /nfs/dbraw/zinc/58/12/39/571581239.db2.gz ZCUBIZOGKJPYJC-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223947310 571581212 /nfs/dbraw/zinc/58/12/12/571581212.db2.gz ZCUBIZOGKJPYJC-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223947385 571581197 /nfs/dbraw/zinc/58/11/97/571581197.db2.gz RHXMMWDIRHLGJC-GOSISDBHSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1CC)S(C)(=O)=O ZINC000223947445 571581242 /nfs/dbraw/zinc/58/12/42/571581242.db2.gz RHXMMWDIRHLGJC-SFHVURJKSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223947677 571581362 /nfs/dbraw/zinc/58/13/62/571581362.db2.gz FYIOVRUCHBJYCU-MRXNPFEDSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000223947732 571581377 /nfs/dbraw/zinc/58/13/77/571581377.db2.gz FYIOVRUCHBJYCU-INIZCTEOSA-N 0 0 544.899 3.812 40 0 KHABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3cccc(C)c3C)Oc3ccc(C)cc32)cc1 ZINC000223947788 571581320 /nfs/dbraw/zinc/58/13/20/571581320.db2.gz NEIPWUFJKWECBF-SANMLTNESA-N 0 0 510.612 3.772 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223947811 571581421 /nfs/dbraw/zinc/58/14/21/571581421.db2.gz CMARQWWPCLXMEZ-MRXNPFEDSA-N 0 0 544.899 3.812 40 0 KHABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3cccc(C)c3C)Oc3cc(C)ccc32)cc1 ZINC000223947869 571581374 /nfs/dbraw/zinc/58/13/74/571581374.db2.gz MCPBBSWYIDRMDQ-SANMLTNESA-N 0 0 510.612 3.772 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223947873 571581326 /nfs/dbraw/zinc/58/13/26/571581326.db2.gz CMARQWWPCLXMEZ-INIZCTEOSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223947969 571581355 /nfs/dbraw/zinc/58/13/55/571581355.db2.gz XBHQBMMLPVFYGN-MRXNPFEDSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223948029 571581344 /nfs/dbraw/zinc/58/13/44/571581344.db2.gz XBHQBMMLPVFYGN-INIZCTEOSA-N 0 0 544.899 3.812 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223948109 571581381 /nfs/dbraw/zinc/58/13/81/571581381.db2.gz MVWXSTFIFLUSRI-MRXNPFEDSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000223948167 571581372 /nfs/dbraw/zinc/58/13/72/571581372.db2.gz MVWXSTFIFLUSRI-INIZCTEOSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223948251 571581341 /nfs/dbraw/zinc/58/13/41/571581341.db2.gz WOEGDQKJOAJBKC-MRXNPFEDSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000223948302 571581500 /nfs/dbraw/zinc/58/15/00/571581500.db2.gz WOEGDQKJOAJBKC-INIZCTEOSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223948635 571581525 /nfs/dbraw/zinc/58/15/25/571581525.db2.gz NUXCWAVXFSKNAA-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223948689 571581544 /nfs/dbraw/zinc/58/15/44/571581544.db2.gz NUXCWAVXFSKNAA-SFHVURJKSA-N 0 0 554.507 3.557 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223948772 571581556 /nfs/dbraw/zinc/58/15/56/571581556.db2.gz DQHHTVYNKVRFJH-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223948832 571581498 /nfs/dbraw/zinc/58/14/98/571581498.db2.gz DQHHTVYNKVRFJH-SFHVURJKSA-N 0 0 554.507 3.557 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223948855 571581517 /nfs/dbraw/zinc/58/15/17/571581517.db2.gz PNRFVCXVVLHXBN-CYBMUJFWSA-N 0 0 522.401 3.591 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223948912 571581563 /nfs/dbraw/zinc/58/15/63/571581563.db2.gz PNRFVCXVVLHXBN-ZDUSSCGKSA-N 0 0 522.401 3.591 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223949888 571581782 /nfs/dbraw/zinc/58/17/82/571581782.db2.gz FBQQNFWCVRVDOE-MRXNPFEDSA-N 0 0 574.925 3.821 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000223949944 571581829 /nfs/dbraw/zinc/58/18/29/571581829.db2.gz FBQQNFWCVRVDOE-INIZCTEOSA-N 0 0 574.925 3.821 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223950190 571581960 /nfs/dbraw/zinc/58/19/60/571581960.db2.gz YSYURUCPXRMUMP-MRXNPFEDSA-N 0 0 558.484 3.822 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223950249 571581886 /nfs/dbraw/zinc/58/18/86/571581886.db2.gz YSYURUCPXRMUMP-INIZCTEOSA-N 0 0 558.484 3.822 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223950730 571582073 /nfs/dbraw/zinc/58/20/73/571582073.db2.gz ZKFOHTORORSNCJ-MRXNPFEDSA-N 0 0 574.925 3.821 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223950788 571582133 /nfs/dbraw/zinc/58/21/33/571582133.db2.gz ZKFOHTORORSNCJ-INIZCTEOSA-N 0 0 574.925 3.821 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223950997 571582121 /nfs/dbraw/zinc/58/21/21/571582121.db2.gz GISZNNPFNIWKOT-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223951047 571582034 /nfs/dbraw/zinc/58/20/34/571582034.db2.gz GISZNNPFNIWKOT-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223951265 571582177 /nfs/dbraw/zinc/58/21/77/571582177.db2.gz QHGUXWJYTBNZQJ-MRXNPFEDSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223951320 571582282 /nfs/dbraw/zinc/58/22/82/571582282.db2.gz QHGUXWJYTBNZQJ-INIZCTEOSA-N 0 0 589.350 3.921 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223951524 571582196 /nfs/dbraw/zinc/58/21/96/571582196.db2.gz PUJNZQWALBAVEH-LJQANCHMSA-N 0 0 538.508 3.775 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223951583 571582274 /nfs/dbraw/zinc/58/22/74/571582274.db2.gz PUJNZQWALBAVEH-IBGZPJMESA-N 0 0 538.508 3.775 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223951887 571582392 /nfs/dbraw/zinc/58/23/92/571582392.db2.gz CFVHCTJGFJIFIM-GOSISDBHSA-N 0 0 543.517 3.776 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223951953 571582293 /nfs/dbraw/zinc/58/22/93/571582293.db2.gz CFVHCTJGFJIFIM-SFHVURJKSA-N 0 0 543.517 3.776 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223954357 571582973 /nfs/dbraw/zinc/58/29/73/571582973.db2.gz UGKCQDFCEJHCQS-MRXNPFEDSA-N 0 0 636.350 3.763 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223954425 571582942 /nfs/dbraw/zinc/58/29/42/571582942.db2.gz UGKCQDFCEJHCQS-INIZCTEOSA-N 0 0 636.350 3.763 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223954947 571582984 /nfs/dbraw/zinc/58/29/84/571582984.db2.gz GOMKZWVRUCSZNX-GOSISDBHSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223955010 571583072 /nfs/dbraw/zinc/58/30/72/571583072.db2.gz GOMKZWVRUCSZNX-SFHVURJKSA-N 0 0 538.508 3.721 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223957772 571583611 /nfs/dbraw/zinc/58/36/11/571583611.db2.gz OTJGNOWQSOALTC-OAHLLOKOSA-N 0 0 562.889 3.951 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223957825 571583672 /nfs/dbraw/zinc/58/36/72/571583672.db2.gz OTJGNOWQSOALTC-HNNXBMFYSA-N 0 0 562.889 3.951 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223958516 571583900 /nfs/dbraw/zinc/58/39/00/571583900.db2.gz ZHIFNGNQIBPDOQ-CQSZACIVSA-N 0 0 520.866 3.821 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223958564 571583889 /nfs/dbraw/zinc/58/38/89/571583889.db2.gz ZHIFNGNQIBPDOQ-AWEZNQCLSA-N 0 0 520.866 3.821 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223958783 571583866 /nfs/dbraw/zinc/58/38/66/571583866.db2.gz VGPQMAVKFOYHRW-QGZVFWFLSA-N 0 0 514.475 3.948 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223958827 571583930 /nfs/dbraw/zinc/58/39/30/571583930.db2.gz VGPQMAVKFOYHRW-KRWDZBQOSA-N 0 0 514.475 3.948 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223958835 571583916 /nfs/dbraw/zinc/58/39/16/571583916.db2.gz SCKXSHLFXNAAHJ-HNNXBMFYSA-N 0 0 538.453 3.614 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000223958881 571583859 /nfs/dbraw/zinc/58/38/59/571583859.db2.gz SCKXSHLFXNAAHJ-OAHLLOKOSA-N 0 0 538.453 3.614 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223959084 571583896 /nfs/dbraw/zinc/58/38/96/571583896.db2.gz ZJRMJXBVZQEHLN-XMMPIXPASA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000223959139 571583965 /nfs/dbraw/zinc/58/39/65/571583965.db2.gz ZJRMJXBVZQEHLN-DEOSSOPVSA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223959215 571584088 /nfs/dbraw/zinc/58/40/88/571584088.db2.gz XCGLPLMHIXKGBO-XMMPIXPASA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000223959271 571584119 /nfs/dbraw/zinc/58/41/19/571584119.db2.gz XCGLPLMHIXKGBO-DEOSSOPVSA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223959362 571584019 /nfs/dbraw/zinc/58/40/19/571584019.db2.gz PLMFGAAUAQYCMI-RUZDIDTESA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223959411 571584060 /nfs/dbraw/zinc/58/40/60/571584060.db2.gz PLMFGAAUAQYCMI-VWLOTQADSA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000223959485 571584095 /nfs/dbraw/zinc/58/40/95/571584095.db2.gz RMRDQNKPBJKRLS-RUZDIDTESA-N 0 0 517.692 3.802 40 0 KHABRN 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CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223960024 571584194 /nfs/dbraw/zinc/58/41/94/571584194.db2.gz VMLIDYJIUIDGRL-HSZRJFAPSA-N 0 0 524.083 3.838 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223960084 571584259 /nfs/dbraw/zinc/58/42/59/571584259.db2.gz VMLIDYJIUIDGRL-QHCPKHFHSA-N 0 0 524.083 3.838 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223960171 571584172 /nfs/dbraw/zinc/58/41/72/571584172.db2.gz FNPLCMZHOMWFAG-HSZRJFAPSA-N 0 0 524.083 3.838 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223960224 571584167 /nfs/dbraw/zinc/58/41/67/571584167.db2.gz FNPLCMZHOMWFAG-QHCPKHFHSA-N 0 0 524.083 3.838 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223960292 571584269 /nfs/dbraw/zinc/58/42/69/571584269.db2.gz VXRXVFAAKHJAFC-INIZCTEOSA-N 0 0 570.495 3.964 40 0 KHABRN 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CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223960883 571584349 /nfs/dbraw/zinc/58/43/49/571584349.db2.gz LNKPHOFYCOSVTQ-HSZRJFAPSA-N 0 0 533.691 3.584 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223960912 571584332 /nfs/dbraw/zinc/58/43/32/571584332.db2.gz RSQBTZMXIKXBQQ-QGZVFWFLSA-N 0 0 572.511 3.864 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000223960942 571584330 /nfs/dbraw/zinc/58/43/30/571584330.db2.gz LNKPHOFYCOSVTQ-QHCPKHFHSA-N 0 0 533.691 3.584 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223960964 571584374 /nfs/dbraw/zinc/58/43/74/571584374.db2.gz RSQBTZMXIKXBQQ-KRWDZBQOSA-N 0 0 572.511 3.864 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000223961009 571584359 /nfs/dbraw/zinc/58/43/59/571584359.db2.gz NOVNWPMQRPVPEI-RUZDIDTESA-N 0 0 533.691 3.584 40 0 KHABRN 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CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223962276 571584636 /nfs/dbraw/zinc/58/46/36/571584636.db2.gz WKLRJZWFIFRCCC-HSZRJFAPSA-N 0 0 533.691 3.502 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000223962341 571584662 /nfs/dbraw/zinc/58/46/62/571584662.db2.gz WKLRJZWFIFRCCC-QHCPKHFHSA-N 0 0 533.691 3.502 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223963007 571584691 /nfs/dbraw/zinc/58/46/91/571584691.db2.gz OKCRXRFOLGEULF-HSZRJFAPSA-N 0 0 554.109 3.847 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000223963066 571584642 /nfs/dbraw/zinc/58/46/42/571584642.db2.gz OKCRXRFOLGEULF-QHCPKHFHSA-N 0 0 554.109 3.847 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223963299 571584754 /nfs/dbraw/zinc/58/47/54/571584754.db2.gz YSEFSQVNQPPRAG-XMMPIXPASA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000223963364 571584750 /nfs/dbraw/zinc/58/47/50/571584750.db2.gz YSEFSQVNQPPRAG-DEOSSOPVSA-N 0 0 517.692 3.802 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223963526 571584776 /nfs/dbraw/zinc/58/47/76/571584776.db2.gz YFMOBOOHCJIDKS-HXUWFJFHSA-N 0 0 567.550 3.622 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223963584 571584820 /nfs/dbraw/zinc/58/48/20/571584820.db2.gz YFMOBOOHCJIDKS-FQEVSTJZSA-N 0 0 567.550 3.622 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223963586 571584857 /nfs/dbraw/zinc/58/48/57/571584857.db2.gz TXPJAZZDODFPJD-JOCHJYFZSA-N 0 0 568.534 3.947 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000223963646 571584752 /nfs/dbraw/zinc/58/47/52/571584752.db2.gz TXPJAZZDODFPJD-QFIPXVFZSA-N 0 0 568.534 3.947 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223963868 571584796 /nfs/dbraw/zinc/58/47/96/571584796.db2.gz PNPZLRZCEIFKNY-XMMPIXPASA-N 0 0 517.692 3.802 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O ZINC000223963925 571584812 /nfs/dbraw/zinc/58/48/12/571584812.db2.gz PNPZLRZCEIFKNY-DEOSSOPVSA-N 0 0 517.692 3.802 40 0 KHABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1OC ZINC000223965021 571584904 /nfs/dbraw/zinc/58/49/04/571584904.db2.gz YMFCDBLZCSAZRL-UHFFFAOYSA-N 0 0 560.072 3.730 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223966681 571585249 /nfs/dbraw/zinc/58/52/49/571585249.db2.gz ZMUODGMUXJWUAU-HSZRJFAPSA-N 0 0 615.534 3.790 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000223966744 571585205 /nfs/dbraw/zinc/58/52/05/571585205.db2.gz ZMUODGMUXJWUAU-QHCPKHFHSA-N 0 0 615.534 3.790 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223967059 571585433 /nfs/dbraw/zinc/58/54/33/571585433.db2.gz FEYPAGCDIMAASF-QGZVFWFLSA-N 0 0 514.420 3.769 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000223967115 571585363 /nfs/dbraw/zinc/58/53/63/571585363.db2.gz FEYPAGCDIMAASF-KRWDZBQOSA-N 0 0 514.420 3.769 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223967284 571585450 /nfs/dbraw/zinc/58/54/50/571585450.db2.gz IYNFZZXPLXCJEQ-RUZDIDTESA-N 0 0 517.692 3.747 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000223967339 571585393 /nfs/dbraw/zinc/58/53/93/571585393.db2.gz IYNFZZXPLXCJEQ-VWLOTQADSA-N 0 0 517.692 3.747 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223968184 571585559 /nfs/dbraw/zinc/58/55/59/571585559.db2.gz BFDSPXXHACGVSC-LJQANCHMSA-N 0 0 538.508 3.939 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223968250 571585584 /nfs/dbraw/zinc/58/55/84/571585584.db2.gz BFDSPXXHACGVSC-IBGZPJMESA-N 0 0 538.508 3.939 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000223968930 571585724 /nfs/dbraw/zinc/58/57/24/571585724.db2.gz BJNQUNVVZONYLR-JOCHJYFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000223968982 571585741 /nfs/dbraw/zinc/58/57/41/571585741.db2.gz BJNQUNVVZONYLR-QFIPXVFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000223969053 571585758 /nfs/dbraw/zinc/58/57/58/571585758.db2.gz SIXKUFQZISWMLW-JOCHJYFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000223969108 571585711 /nfs/dbraw/zinc/58/57/11/571585711.db2.gz SIXKUFQZISWMLW-QFIPXVFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000223969192 571585728 /nfs/dbraw/zinc/58/57/28/571585728.db2.gz JPWDDDWFJYXZMO-JOCHJYFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000223969238 571585749 /nfs/dbraw/zinc/58/57/49/571585749.db2.gz JPWDDDWFJYXZMO-QFIPXVFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223970150 571585842 /nfs/dbraw/zinc/58/58/42/571585842.db2.gz LTHJGYPMDGLPNX-HSZRJFAPSA-N 0 0 542.073 3.977 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000223970200 571585876 /nfs/dbraw/zinc/58/58/76/571585876.db2.gz LTHJGYPMDGLPNX-QHCPKHFHSA-N 0 0 542.073 3.977 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223970553 571586042 /nfs/dbraw/zinc/58/60/42/571586042.db2.gz VBSOBMBAOKCPRY-MRXNPFEDSA-N 0 0 544.899 3.667 40 0 KHABRN 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CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 ZINC000223971258 571586185 /nfs/dbraw/zinc/58/61/85/571586185.db2.gz XEWDFXDDZNOFGY-JOCHJYFZSA-N 0 0 553.681 3.843 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 ZINC000223971311 571586203 /nfs/dbraw/zinc/58/62/03/571586203.db2.gz XEWDFXDDZNOFGY-QFIPXVFZSA-N 0 0 553.681 3.843 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223971627 571586323 /nfs/dbraw/zinc/58/63/23/571586323.db2.gz QRYFRSYICJTIRN-LJQANCHMSA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223971677 571586330 /nfs/dbraw/zinc/58/63/30/571586330.db2.gz QRYFRSYICJTIRN-IBGZPJMESA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223971757 571586349 /nfs/dbraw/zinc/58/63/49/571586349.db2.gz OAWAHOMNVDSIJQ-LJQANCHMSA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223971814 571586303 /nfs/dbraw/zinc/58/63/03/571586303.db2.gz OAWAHOMNVDSIJQ-IBGZPJMESA-N 0 0 568.534 3.947 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223971899 571586344 /nfs/dbraw/zinc/58/63/44/571586344.db2.gz WGXLWTRBSBFCFU-LJQANCHMSA-N 0 0 568.534 3.947 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000223971904 571586277 /nfs/dbraw/zinc/58/62/77/571586277.db2.gz GTCNZEOVXDXPPS-HXUWFJFHSA-N 0 0 527.618 3.583 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000223971955 571586290 /nfs/dbraw/zinc/58/62/90/571586290.db2.gz GTCNZEOVXDXPPS-FQEVSTJZSA-N 0 0 527.618 3.583 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223971957 571586294 /nfs/dbraw/zinc/58/62/94/571586294.db2.gz WGXLWTRBSBFCFU-IBGZPJMESA-N 0 0 568.534 3.947 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223972036 571586279 /nfs/dbraw/zinc/58/62/79/571586279.db2.gz MVOHTNXQTPNYGB-HXUWFJFHSA-N 0 0 527.618 3.583 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223972093 571586287 /nfs/dbraw/zinc/58/62/87/571586287.db2.gz MVOHTNXQTPNYGB-FQEVSTJZSA-N 0 0 527.618 3.583 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223972310 571586396 /nfs/dbraw/zinc/58/63/96/571586396.db2.gz NVHJMZQGHSAODB-JOCHJYFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000223972363 571586486 /nfs/dbraw/zinc/58/64/86/571586486.db2.gz NVHJMZQGHSAODB-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223973009 571586552 /nfs/dbraw/zinc/58/65/52/571586552.db2.gz IDACWQJPYPKBHL-LJQANCHMSA-N 0 0 596.544 3.710 40 0 KHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223973061 571586525 /nfs/dbraw/zinc/58/65/25/571586525.db2.gz IDACWQJPYPKBHL-IBGZPJMESA-N 0 0 596.544 3.710 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223974012 571586813 /nfs/dbraw/zinc/58/68/13/571586813.db2.gz BUMVVQXIYRZZKS-XMMPIXPASA-N 0 0 561.701 3.694 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223974075 571586801 /nfs/dbraw/zinc/58/68/01/571586801.db2.gz BUMVVQXIYRZZKS-DEOSSOPVSA-N 0 0 561.701 3.694 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223974119 571586754 /nfs/dbraw/zinc/58/67/54/571586754.db2.gz ALBBQNQJFSVFTF-JOCHJYFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223974176 571586717 /nfs/dbraw/zinc/58/67/17/571586717.db2.gz ALBBQNQJFSVFTF-QFIPXVFZSA-N 0 0 523.655 3.752 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223975722 571587082 /nfs/dbraw/zinc/58/70/82/571587082.db2.gz NNNGUDKLUHMSCD-RUZDIDTESA-N 0 0 546.734 3.649 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C ZINC000223975781 571587086 /nfs/dbraw/zinc/58/70/86/571587086.db2.gz NNNGUDKLUHMSCD-VWLOTQADSA-N 0 0 546.734 3.649 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223976121 571587050 /nfs/dbraw/zinc/58/70/50/571587050.db2.gz ZKRRSXWVNIFUBD-JOCHJYFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223976181 571587223 /nfs/dbraw/zinc/58/72/23/571587223.db2.gz ZKRRSXWVNIFUBD-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223976257 571587222 /nfs/dbraw/zinc/58/72/22/571587222.db2.gz DUXDMLATRUIPSE-JOCHJYFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223976306 571587293 /nfs/dbraw/zinc/58/72/93/571587293.db2.gz DUXDMLATRUIPSE-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223976806 571587295 /nfs/dbraw/zinc/58/72/95/571587295.db2.gz IEPWTVCZXIKTEC-JOCHJYFZSA-N 0 0 583.707 3.770 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223976862 571587284 /nfs/dbraw/zinc/58/72/84/571587284.db2.gz IEPWTVCZXIKTEC-QFIPXVFZSA-N 0 0 583.707 3.770 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223976937 571587446 /nfs/dbraw/zinc/58/74/46/571587446.db2.gz OUPBTLGYVVVZNB-JOCHJYFZSA-N 0 0 583.707 3.770 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000223976999 571587494 /nfs/dbraw/zinc/58/74/94/571587494.db2.gz OUPBTLGYVVVZNB-QFIPXVFZSA-N 0 0 583.707 3.770 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000223977216 571587479 /nfs/dbraw/zinc/58/74/79/571587479.db2.gz KCXLRKHCIOUSLJ-OAQYLSRUSA-N 0 0 541.645 3.891 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000223977263 571587416 /nfs/dbraw/zinc/58/74/16/571587416.db2.gz KCXLRKHCIOUSLJ-NRFANRHFSA-N 0 0 541.645 3.891 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223977342 571587418 /nfs/dbraw/zinc/58/74/18/571587418.db2.gz QNDAALGSMAZDPS-OAQYLSRUSA-N 0 0 541.645 3.891 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000223977390 571587431 /nfs/dbraw/zinc/58/74/31/571587431.db2.gz QNDAALGSMAZDPS-NRFANRHFSA-N 0 0 541.645 3.891 40 0 KHABRN CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]12 ZINC000223979153 571587753 /nfs/dbraw/zinc/58/77/53/571587753.db2.gz MHVMSWYLOIBQDP-LJMQSNPKSA-N 0 0 586.641 3.925 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223980309 571588178 /nfs/dbraw/zinc/58/81/78/571588178.db2.gz HNFSDENBIHMABV-RUZDIDTESA-N 0 0 517.692 3.965 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223980360 571588076 /nfs/dbraw/zinc/58/80/76/571588076.db2.gz HNFSDENBIHMABV-VWLOTQADSA-N 0 0 517.692 3.965 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223982537 571588583 /nfs/dbraw/zinc/58/85/83/571588583.db2.gz LDSOQUIWTCHIRW-HSZRJFAPSA-N 0 0 524.083 3.693 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223982598 571588557 /nfs/dbraw/zinc/58/85/57/571588557.db2.gz LDSOQUIWTCHIRW-QHCPKHFHSA-N 0 0 524.083 3.693 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223982808 571588580 /nfs/dbraw/zinc/58/85/80/571588580.db2.gz LBIOOHAZEKOZCH-RUZDIDTESA-N 0 0 517.692 3.820 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000223982861 571588632 /nfs/dbraw/zinc/58/86/32/571588632.db2.gz LBIOOHAZEKOZCH-VWLOTQADSA-N 0 0 517.692 3.820 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000223982869 571588578 /nfs/dbraw/zinc/58/85/78/571588578.db2.gz JPGMCMSTZBJDHZ-OAHLLOKOSA-N 0 0 549.999 3.687 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000223982927 571588657 /nfs/dbraw/zinc/58/86/57/571588657.db2.gz JPGMCMSTZBJDHZ-HNNXBMFYSA-N 0 0 549.999 3.687 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223983133 571588535 /nfs/dbraw/zinc/58/85/35/571588535.db2.gz QKJZSZZBHCKZKF-OAQYLSRUSA-N 0 0 539.654 3.807 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000223983180 571588600 /nfs/dbraw/zinc/58/86/00/571588600.db2.gz QKJZSZZBHCKZKF-NRFANRHFSA-N 0 0 539.654 3.807 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223983623 571588710 /nfs/dbraw/zinc/58/87/10/571588710.db2.gz WULDOPWKXNMNLO-XMMPIXPASA-N 0 0 547.718 3.974 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000223983640 571588701 /nfs/dbraw/zinc/58/87/01/571588701.db2.gz VSJKDNOAJQQJNG-OAHLLOKOSA-N 0 0 549.999 3.687 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000223983676 571588734 /nfs/dbraw/zinc/58/87/34/571588734.db2.gz WULDOPWKXNMNLO-DEOSSOPVSA-N 0 0 547.718 3.974 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O ZINC000223983697 571588785 /nfs/dbraw/zinc/58/87/85/571588785.db2.gz VSJKDNOAJQQJNG-HNNXBMFYSA-N 0 0 549.999 3.687 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223983756 571588788 /nfs/dbraw/zinc/58/87/88/571588788.db2.gz VSWYYTLEQBVQQW-AREMUKBSSA-N 0 0 547.718 3.974 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223983817 571588751 /nfs/dbraw/zinc/58/87/51/571588751.db2.gz VSWYYTLEQBVQQW-SANMLTNESA-N 0 0 547.718 3.974 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223983901 571588814 /nfs/dbraw/zinc/58/88/14/571588814.db2.gz NSAPTCLARIMWHH-AREMUKBSSA-N 0 0 547.718 3.974 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223983956 571588753 /nfs/dbraw/zinc/58/87/53/571588753.db2.gz NSAPTCLARIMWHH-SANMLTNESA-N 0 0 547.718 3.974 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223984030 571588915 /nfs/dbraw/zinc/58/89/15/571588915.db2.gz HRXDDIQJPCIJKV-JOCHJYFZSA-N 0 0 583.707 3.770 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223984081 571588967 /nfs/dbraw/zinc/58/89/67/571588967.db2.gz HRXDDIQJPCIJKV-QFIPXVFZSA-N 0 0 583.707 3.770 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223984558 571588911 /nfs/dbraw/zinc/58/89/11/571588911.db2.gz URXDLFZPVQYLPT-OAQYLSRUSA-N 0 0 541.645 3.891 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223984614 571588948 /nfs/dbraw/zinc/58/89/48/571588948.db2.gz URXDLFZPVQYLPT-NRFANRHFSA-N 0 0 541.645 3.891 40 0 KHABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223985000 571589118 /nfs/dbraw/zinc/58/91/18/571589118.db2.gz ROJIGXNMNUCMAQ-RUZDIDTESA-N 0 0 575.728 3.736 40 0 KHABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223985052 571589113 /nfs/dbraw/zinc/58/91/13/571589113.db2.gz ROJIGXNMNUCMAQ-VWLOTQADSA-N 0 0 575.728 3.736 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223985440 571589309 /nfs/dbraw/zinc/58/93/09/571589309.db2.gz FASMGVJTEFINEM-JOCHJYFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223985503 571589269 /nfs/dbraw/zinc/58/92/69/571589269.db2.gz FASMGVJTEFINEM-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223985723 571589296 /nfs/dbraw/zinc/58/92/96/571589296.db2.gz KWVVRJLLZLBRKO-JOCHJYFZSA-N 0 0 553.681 3.843 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223985784 571589303 /nfs/dbraw/zinc/58/93/03/571589303.db2.gz KWVVRJLLZLBRKO-QFIPXVFZSA-N 0 0 553.681 3.843 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223986536 571589520 /nfs/dbraw/zinc/58/95/20/571589520.db2.gz BAUMOAXSMQKJIR-JOCHJYFZSA-N 0 0 613.733 3.860 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223986593 571589511 /nfs/dbraw/zinc/58/95/11/571589511.db2.gz BAUMOAXSMQKJIR-QFIPXVFZSA-N 0 0 613.733 3.860 40 0 KHABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOc1ccc(Cl)cc1 ZINC000223986896 571589603 /nfs/dbraw/zinc/58/96/03/571589603.db2.gz YEXJXAOIWLYQER-UHFFFAOYSA-N 0 0 502.976 3.502 40 0 KHABRN O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCCOc1ccccc1Cl ZINC000223986969 571589627 /nfs/dbraw/zinc/58/96/27/571589627.db2.gz CBFKDOPWNXPPCM-UHFFFAOYSA-N 0 0 502.976 3.502 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223987307 571589645 /nfs/dbraw/zinc/58/96/45/571589645.db2.gz PMKFZLFBSFFRPJ-JOCHJYFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000223987362 571589576 /nfs/dbraw/zinc/58/95/76/571589576.db2.gz PMKFZLFBSFFRPJ-QFIPXVFZSA-N 0 0 553.681 3.761 40 0 KHABRN CCCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1 ZINC000223988572 571589912 /nfs/dbraw/zinc/58/99/12/571589912.db2.gz WICBOYHVQFYPSD-UHFFFAOYSA-N 0 0 510.612 3.801 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223988775 571589975 /nfs/dbraw/zinc/58/99/75/571589975.db2.gz MCLKPZAHYQSNQO-HXUWFJFHSA-N 0 0 587.670 3.600 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000223988827 571589979 /nfs/dbraw/zinc/58/99/79/571589979.db2.gz MCLKPZAHYQSNQO-FQEVSTJZSA-N 0 0 587.670 3.600 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000223989441 571590122 /nfs/dbraw/zinc/59/01/22/571590122.db2.gz NJYVYBXTAKTFGS-CQSZACIVSA-N 0 0 550.892 3.975 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000223989491 571590092 /nfs/dbraw/zinc/59/00/92/571590092.db2.gz NJYVYBXTAKTFGS-AWEZNQCLSA-N 0 0 550.892 3.975 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223990287 571590333 /nfs/dbraw/zinc/59/03/33/571590333.db2.gz DHVFWHLWXKWWOZ-JOCHJYFZSA-N 0 0 553.681 3.594 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O ZINC000223990331 571590357 /nfs/dbraw/zinc/59/03/57/571590357.db2.gz DHVFWHLWXKWWOZ-QFIPXVFZSA-N 0 0 553.681 3.594 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223990547 571590433 /nfs/dbraw/zinc/59/04/33/571590433.db2.gz OQIOMMXJWHJMMC-HXUWFJFHSA-N 0 0 527.618 3.583 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223990598 571590453 /nfs/dbraw/zinc/59/04/53/571590453.db2.gz OQIOMMXJWHJMMC-FQEVSTJZSA-N 0 0 527.618 3.583 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223990690 571590430 /nfs/dbraw/zinc/59/04/30/571590430.db2.gz KLKIQEHNWNLPPX-OAQYLSRUSA-N 0 0 571.671 3.982 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223990752 571590527 /nfs/dbraw/zinc/59/05/27/571590527.db2.gz KLKIQEHNWNLPPX-NRFANRHFSA-N 0 0 571.671 3.982 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223990818 571590455 /nfs/dbraw/zinc/59/04/55/571590455.db2.gz VCGMTZVWHZSPHE-HXUWFJFHSA-N 0 0 557.644 3.592 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223990834 571590449 /nfs/dbraw/zinc/59/04/49/571590449.db2.gz OFQBORVBCGKCBC-AJTFRIOCSA-N 0 0 595.718 3.745 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000223990874 571590525 /nfs/dbraw/zinc/59/05/25/571590525.db2.gz VCGMTZVWHZSPHE-FQEVSTJZSA-N 0 0 557.644 3.592 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000223990892 571590519 /nfs/dbraw/zinc/59/05/19/571590519.db2.gz OFQBORVBCGKCBC-WXVAWEFUSA-N 0 0 595.718 3.745 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223991231 571590501 /nfs/dbraw/zinc/59/05/01/571590501.db2.gz MWCNQMHKPZCBSC-OAQYLSRUSA-N 0 0 571.671 3.982 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000223991294 571590564 /nfs/dbraw/zinc/59/05/64/571590564.db2.gz MWCNQMHKPZCBSC-NRFANRHFSA-N 0 0 571.671 3.982 40 0 KHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223991545 571590678 /nfs/dbraw/zinc/59/06/78/571590678.db2.gz JTCZLWPJMRZIDO-AREMUKBSSA-N 0 0 507.656 3.619 40 0 KHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223991606 571590684 /nfs/dbraw/zinc/59/06/84/571590684.db2.gz JTCZLWPJMRZIDO-SANMLTNESA-N 0 0 507.656 3.619 40 0 KHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223991685 571590658 /nfs/dbraw/zinc/59/06/58/571590658.db2.gz JVFQUPARMREYER-HHHXNRCGSA-N 0 0 521.683 3.927 40 0 KHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000223991735 571590641 /nfs/dbraw/zinc/59/06/41/571590641.db2.gz JVFQUPARMREYER-MHZLTWQESA-N 0 0 521.683 3.927 40 0 KHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223991822 571590573 /nfs/dbraw/zinc/59/05/73/571590573.db2.gz BLRDJHNJFWIXNT-HHHXNRCGSA-N 0 0 521.683 3.927 40 0 KHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000223991875 571590676 /nfs/dbraw/zinc/59/06/76/571590676.db2.gz BLRDJHNJFWIXNT-MHZLTWQESA-N 0 0 521.683 3.927 40 0 KHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223991949 571590813 /nfs/dbraw/zinc/59/08/13/571590813.db2.gz OMEUAFAGHNWXTP-HHHXNRCGSA-N 0 0 521.683 3.927 40 0 KHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000223991999 571590848 /nfs/dbraw/zinc/59/08/48/571590848.db2.gz OMEUAFAGHNWXTP-MHZLTWQESA-N 0 0 521.683 3.927 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223992013 571590865 /nfs/dbraw/zinc/59/08/65/571590865.db2.gz VDOGYSVZOHWNEA-FUFSCUOVSA-N 0 0 580.751 3.863 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000223992062 571590825 /nfs/dbraw/zinc/59/08/25/571590825.db2.gz VDOGYSVZOHWNEA-PWUYWRBVSA-N 0 0 580.751 3.863 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223992265 571590846 /nfs/dbraw/zinc/59/08/46/571590846.db2.gz HDEBEVYVGMHIDH-QDPGVEIFSA-N 0 0 609.745 3.787 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000223992322 571590838 /nfs/dbraw/zinc/59/08/38/571590838.db2.gz HDEBEVYVGMHIDH-NEKDWFFYSA-N 0 0 609.745 3.787 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223992808 571590925 /nfs/dbraw/zinc/59/09/25/571590925.db2.gz VMRNEAPYPDRGCJ-LJQANCHMSA-N 0 0 524.083 3.757 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000223992867 571590971 /nfs/dbraw/zinc/59/09/71/571590971.db2.gz VMRNEAPYPDRGCJ-IBGZPJMESA-N 0 0 524.083 3.757 40 0 KHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223993554 571591144 /nfs/dbraw/zinc/59/11/44/571591144.db2.gz BMCWLRCISKUNDN-HHHXNRCGSA-N 0 0 537.682 3.628 40 0 KHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000223993613 571591130 /nfs/dbraw/zinc/59/11/30/571591130.db2.gz BMCWLRCISKUNDN-MHZLTWQESA-N 0 0 537.682 3.628 40 0 KHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000223993618 571591150 /nfs/dbraw/zinc/59/11/50/571591150.db2.gz HXPDPFLTDGIZKU-LJQANCHMSA-N 0 0 509.628 3.691 40 0 KHABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000223993668 571591154 /nfs/dbraw/zinc/59/11/54/571591154.db2.gz HXPDPFLTDGIZKU-IBGZPJMESA-N 0 0 509.628 3.691 40 0 KHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000223993694 571591113 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CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224622807 571588936 /nfs/dbraw/zinc/58/89/36/571588936.db2.gz HVYFRFSSFSEHSA-XMMPIXPASA-N 0 0 503.640 3.500 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224623430 571589117 /nfs/dbraw/zinc/58/91/17/571589117.db2.gz XNOUUNMPBAKQBB-MRXNPFEDSA-N 0 0 500.448 3.701 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224623470 571589132 /nfs/dbraw/zinc/58/91/32/571589132.db2.gz XNOUUNMPBAKQBB-INIZCTEOSA-N 0 0 500.448 3.701 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224623541 571589066 /nfs/dbraw/zinc/58/90/66/571589066.db2.gz BCHMQUIMXLBIRO-MRXNPFEDSA-N 0 0 500.448 3.701 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224623585 571589147 /nfs/dbraw/zinc/58/91/47/571589147.db2.gz BCHMQUIMXLBIRO-INIZCTEOSA-N 0 0 500.448 3.701 40 0 KHABRN 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COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000224681367 571602418 /nfs/dbraw/zinc/60/24/18/571602418.db2.gz YTRJTYAJKZIBCT-SFHVURJKSA-N 0 0 514.600 3.794 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 ZINC000224681532 571602564 /nfs/dbraw/zinc/60/25/64/571602564.db2.gz MXRAIJMQALJRDP-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000224681609 571602583 /nfs/dbraw/zinc/60/25/83/571602583.db2.gz BQQXDXYEXDJWCY-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1cc(C)cc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000224681691 571602569 /nfs/dbraw/zinc/60/25/69/571602569.db2.gz GVJYTSSOCFBRCL-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1C ZINC000224681759 571602576 /nfs/dbraw/zinc/60/25/76/571602576.db2.gz MUPQKNMAYFYZHI-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224681823 571602604 /nfs/dbraw/zinc/60/26/04/571602604.db2.gz AKEHHEWQXLYBER-IBGZPJMESA-N 0 0 503.640 3.630 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224681969 571602708 /nfs/dbraw/zinc/60/27/08/571602708.db2.gz ZEQLSJCDMPFPEC-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224682013 571602725 /nfs/dbraw/zinc/60/27/25/571602725.db2.gz ZEQLSJCDMPFPEC-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224682076 571602688 /nfs/dbraw/zinc/60/26/88/571602688.db2.gz RCIUFDCVUWFFCV-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224682115 571602697 /nfs/dbraw/zinc/60/26/97/571602697.db2.gz RCIUFDCVUWFFCV-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224682185 571602715 /nfs/dbraw/zinc/60/27/15/571602715.db2.gz OWSFZWQRAOXJMB-KRWDZBQOSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224682236 571602736 /nfs/dbraw/zinc/60/27/36/571602736.db2.gz OWSFZWQRAOXJMB-QGZVFWFLSA-N 0 0 510.031 3.721 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000224682303 571602693 /nfs/dbraw/zinc/60/26/93/571602693.db2.gz VUJAFNCPVDBASV-KRWDZBQOSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000224682349 571602732 /nfs/dbraw/zinc/60/27/32/571602732.db2.gz VUJAFNCPVDBASV-QGZVFWFLSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000224682422 571602684 /nfs/dbraw/zinc/60/26/84/571602684.db2.gz DPZVYQBZINUWSU-KRWDZBQOSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000224682469 571602696 /nfs/dbraw/zinc/60/26/96/571602696.db2.gz DPZVYQBZINUWSU-QGZVFWFLSA-N 0 0 554.482 3.830 40 0 KHABRN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3nc(-c4cccc(Br)c4)no3)s2)c1 ZINC000224683294 571602957 /nfs/dbraw/zinc/60/29/57/571602957.db2.gz XERYCIZLXDMAII-UHFFFAOYSA-N 0 0 549.432 3.732 40 0 KHABRN COc1ccc(Cl)cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224683493 571603042 /nfs/dbraw/zinc/60/30/42/571603042.db2.gz YSLYBRWAWRFVDQ-KRWDZBQOSA-N 0 0 540.057 3.730 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl ZINC000224683929 571603165 /nfs/dbraw/zinc/60/31/65/571603165.db2.gz NNOBPKXQSRATIY-KRWDZBQOSA-N 0 0 540.057 3.730 40 0 KHABRN Cc1cccc(C)c1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000224684116 571603344 /nfs/dbraw/zinc/60/33/44/571603344.db2.gz MCBQMAVNXXJAKS-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000224684316 571603335 /nfs/dbraw/zinc/60/33/35/571603335.db2.gz ATOIBTUEXXEQQZ-KRWDZBQOSA-N 0 0 554.482 3.830 40 0 KHABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1Br)S(C)(=O)=O ZINC000224684360 571603271 /nfs/dbraw/zinc/60/32/71/571603271.db2.gz ATOIBTUEXXEQQZ-QGZVFWFLSA-N 0 0 554.482 3.830 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c(C)c1 ZINC000224684469 571603347 /nfs/dbraw/zinc/60/33/47/571603347.db2.gz PTZPTPDAWIBXOO-IBGZPJMESA-N 0 0 538.508 3.774 40 0 KHABRN Cc1ccc(C)c(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000224684540 571603329 /nfs/dbraw/zinc/60/33/29/571603329.db2.gz NHUYVRWAIMMKSP-IBGZPJMESA-N 0 0 538.508 3.774 40 0 KHABRN Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1C ZINC000224684551 571603384 /nfs/dbraw/zinc/60/33/84/571603384.db2.gz JIYWXEBNPAZRKG-FQEVSTJZSA-N 0 0 503.640 3.685 40 0 KHABRN Cc1cc(C)cc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000224684615 571603480 /nfs/dbraw/zinc/60/34/80/571603480.db2.gz VEZAWWOFLCKASN-IBGZPJMESA-N 0 0 538.508 3.774 40 0 KHABRN Cc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1C ZINC000224684690 571603447 /nfs/dbraw/zinc/60/34/47/571603447.db2.gz PIFXQINANHBXBG-IBGZPJMESA-N 0 0 538.508 3.774 40 0 KHABRN CCc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224684762 571603436 /nfs/dbraw/zinc/60/34/36/571603436.db2.gz CPWGJEJZFXHDLT-SFHVURJKSA-N 0 0 538.508 3.719 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224684945 571603462 /nfs/dbraw/zinc/60/34/62/571603462.db2.gz KMHRECNMFSAJEG-MRXNPFEDSA-N 0 0 544.899 3.810 40 0 KHABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224684964 571603604 /nfs/dbraw/zinc/60/36/04/571603604.db2.gz YAGAQXIJKVEFPP-NRFANRHFSA-N 0 0 524.083 3.694 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224684994 571603588 /nfs/dbraw/zinc/60/35/88/571603588.db2.gz KMHRECNMFSAJEG-INIZCTEOSA-N 0 0 544.899 3.810 40 0 KHABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1OC)S(C)(=O)=O ZINC000224685011 571603645 /nfs/dbraw/zinc/60/36/45/571603645.db2.gz YAGAQXIJKVEFPP-OAQYLSRUSA-N 0 0 524.083 3.694 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224685055 571603679 /nfs/dbraw/zinc/60/36/79/571603679.db2.gz AXMCPNONUJKGGT-MRXNPFEDSA-N 0 0 544.899 3.810 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224685108 571603657 /nfs/dbraw/zinc/60/36/57/571603657.db2.gz AXMCPNONUJKGGT-INIZCTEOSA-N 0 0 544.899 3.810 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224685185 571603591 /nfs/dbraw/zinc/60/35/91/571603591.db2.gz VSAOFTZVVUUKOC-MRXNPFEDSA-N 0 0 544.899 3.810 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224685236 571603661 /nfs/dbraw/zinc/60/36/61/571603661.db2.gz VSAOFTZVVUUKOC-INIZCTEOSA-N 0 0 544.899 3.810 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000224685311 571603616 /nfs/dbraw/zinc/60/36/16/571603616.db2.gz PZINNFDLUVVILU-MRXNPFEDSA-N 0 0 589.350 3.920 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000224685358 571603593 /nfs/dbraw/zinc/60/35/93/571603593.db2.gz PZINNFDLUVVILU-INIZCTEOSA-N 0 0 589.350 3.920 40 0 KHABRN CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000224685424 571603884 /nfs/dbraw/zinc/60/38/84/571603884.db2.gz ZGWCJHUFUKLRTO-MRXNPFEDSA-N 0 0 589.350 3.920 40 0 KHABRN CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O ZINC000224685473 571603886 /nfs/dbraw/zinc/60/38/86/571603886.db2.gz ZGWCJHUFUKLRTO-INIZCTEOSA-N 0 0 589.350 3.920 40 0 KHABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224685535 571603808 /nfs/dbraw/zinc/60/38/08/571603808.db2.gz STMKVYTYCOZUDY-QFIPXVFZSA-N 0 0 512.047 3.825 40 0 KHABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224685587 571603783 /nfs/dbraw/zinc/60/37/83/571603783.db2.gz STMKVYTYCOZUDY-JOCHJYFZSA-N 0 0 512.047 3.825 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O ZINC000224685699 571603795 /nfs/dbraw/zinc/60/37/95/571603795.db2.gz IRVZXIPDVHIKJG-SFHVURJKSA-N 0 0 554.507 3.556 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000224685760 571603855 /nfs/dbraw/zinc/60/38/55/571603855.db2.gz PJPKMUQFSLNFDN-SFHVURJKSA-N 0 0 554.507 3.556 40 0 KHABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000224686105 571604025 /nfs/dbraw/zinc/60/40/25/571604025.db2.gz YCSAEJORNBBACM-KRWDZBQOSA-N 0 0 601.482 3.672 40 0 KHABRN 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571673144 /nfs/dbraw/zinc/67/31/44/571673144.db2.gz ORORSCZDYYNAEK-SANMLTNESA-N 0 0 529.703 3.880 40 0 KHABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000225319439 571673266 /nfs/dbraw/zinc/67/32/66/571673266.db2.gz ORORSCZDYYNAEK-AREMUKBSSA-N 0 0 529.703 3.880 40 0 KHABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225319465 571673214 /nfs/dbraw/zinc/67/32/14/571673214.db2.gz WFCAZHLJNJSYHK-GVAUOCQISA-N 0 0 509.647 3.593 40 0 KHABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000225319481 571673147 /nfs/dbraw/zinc/67/31/47/571673147.db2.gz WFCAZHLJNJSYHK-DSNGMDLFSA-N 0 0 509.647 3.593 40 0 KHABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000225319968 571674842 /nfs/dbraw/zinc/67/48/42/571674842.db2.gz HVYXQQMEEJWJJP-VWLOTQADSA-N 0 0 562.708 3.703 40 0 KHABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 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40 0 KHABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225330143 571687444 /nfs/dbraw/zinc/68/74/44/571687444.db2.gz AGVLXPJFARYDBV-HXUWFJFHSA-N 0 0 540.469 3.862 40 0 KHABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000225330176 571687294 /nfs/dbraw/zinc/68/72/94/571687294.db2.gz AGVLXPJFARYDBV-FQEVSTJZSA-N 0 0 540.469 3.862 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225330644 571688384 /nfs/dbraw/zinc/68/83/84/571688384.db2.gz OQYDBHKFEOUVET-QZTJIDSGSA-N 0 0 543.517 3.938 40 0 KHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000225330681 571688417 /nfs/dbraw/zinc/68/84/17/571688417.db2.gz OQYDBHKFEOUVET-ZWKOTPCHSA-N 0 0 543.517 3.938 40 0 KHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000225330827 571688444 /nfs/dbraw/zinc/68/84/44/571688444.db2.gz NTWMZYAQYPJFCV-IAGOWNOFSA-N 0 0 572.511 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CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000225334716 571693297 /nfs/dbraw/zinc/69/32/97/571693297.db2.gz XIQYGAVEZWRJAB-VWLOTQADSA-N 0 0 575.728 3.735 40 0 KHABRN CCOc1ccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCCCC4)ccc3OC)n2)cc1 ZINC000225334737 571693244 /nfs/dbraw/zinc/69/32/44/571693244.db2.gz XBMKUKHWSVMGNM-UHFFFAOYSA-N 0 0 528.631 3.568 40 0 KHABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O ZINC000225334749 571693363 /nfs/dbraw/zinc/69/33/63/571693363.db2.gz XIQYGAVEZWRJAB-RUZDIDTESA-N 0 0 575.728 3.735 40 0 KHABRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000225334807 571693206 /nfs/dbraw/zinc/69/32/06/571693206.db2.gz UGYUPEPTZJKCGH-VWLOTQADSA-N 0 0 575.728 3.735 40 0 KHABRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000225334845 571693326 /nfs/dbraw/zinc/69/33/26/571693326.db2.gz UGYUPEPTZJKCGH-RUZDIDTESA-N 0 0 575.728 3.735 40 0 KHABRN 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COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)C2)cc1C ZINC000260752470 572326008 /nfs/dbraw/zinc/32/60/08/572326008.db2.gz YKNIFXLYGDRAOZ-NEKDWFFYSA-N 0 0 563.676 3.515 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC)S(=O)(=O)c2ccccc2)cc1 ZINC000260752476 572326021 /nfs/dbraw/zinc/32/60/21/572326021.db2.gz GPRJPKPCFIEBGK-HXUWFJFHSA-N 0 0 527.618 3.583 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3C[C@H](C(=O)NCc4ccccc4)Oc4ccccc43)C2)cc1C ZINC000260752481 572325999 /nfs/dbraw/zinc/32/59/99/572325999.db2.gz YKNIFXLYGDRAOZ-QDPGVEIFSA-N 0 0 563.676 3.515 40 0 KHABRN CCOc1ccc(N(CCCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260752504 572325988 /nfs/dbraw/zinc/32/59/88/572325988.db2.gz GTRHPYXMDLFXEF-GOSISDBHSA-N 0 0 554.507 3.557 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1Cl ZINC000260752599 572326048 /nfs/dbraw/zinc/32/60/48/572326048.db2.gz DCBUUSIDTNDPQT-LJQANCHMSA-N 0 0 536.094 3.899 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC)c2ccccc2)cc1 ZINC000260752601 572326046 /nfs/dbraw/zinc/32/60/46/572326046.db2.gz GYQVKBPYGFIALY-HXUWFJFHSA-N 0 0 527.618 3.583 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCNc2ccnc3cc(Cl)ccc32)C1 ZINC000260752620 572326056 /nfs/dbraw/zinc/32/60/56/572326056.db2.gz ZCJFRIIUCAJKSC-SFHVURJKSA-N 0 0 517.051 3.834 40 0 KHABRN COc1ccc(CN(C(=O)CCCN(c2ccccc2F)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000260752682 572326044 /nfs/dbraw/zinc/32/60/44/572326044.db2.gz DFIWPPBDZXWDQT-LJQANCHMSA-N 0 0 521.655 3.713 40 0 KHABRN Cc1cccc(CN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260752859 572326040 /nfs/dbraw/zinc/32/60/40/572326040.db2.gz DKAKOOVRQKIQRE-LJQANCHMSA-N 0 0 597.519 3.842 40 0 KHABRN Cc1cccc(CN(C(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260752889 572326094 /nfs/dbraw/zinc/32/60/94/572326094.db2.gz DKTKVWBUGWYEHT-JOCHJYFZSA-N 0 0 557.713 3.789 40 0 KHABRN COc1cccc(CN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260752897 572326103 /nfs/dbraw/zinc/32/61/03/572326103.db2.gz DKVYDZIOCJHTPC-GOSISDBHSA-N 0 0 555.619 3.956 40 0 KHABRN Cc1c(Cl)cccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O ZINC000260752937 572326126 /nfs/dbraw/zinc/32/61/26/572326126.db2.gz DLXXPCFKDIOQHY-LJQANCHMSA-N 0 0 508.084 3.789 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)C2)cc1C ZINC000260753524 572326117 /nfs/dbraw/zinc/32/61/17/572326117.db2.gz ZHLRHUDYSRGRSY-QFIPXVFZSA-N 0 0 513.660 3.598 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)C1 ZINC000260753539 572326075 /nfs/dbraw/zinc/32/60/75/572326075.db2.gz ZMNAXJJTEJZHIF-IBGZPJMESA-N 0 0 520.051 3.553 40 0 KHABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000260753544 572326108 /nfs/dbraw/zinc/32/61/08/572326108.db2.gz ZOOVHBKTFOZHTG-SFHVURJKSA-N 0 0 541.066 3.824 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260754371 572326098 /nfs/dbraw/zinc/32/60/98/572326098.db2.gz QLMKTSAKFNOHLF-JOCHJYFZSA-N 0 0 583.707 3.850 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1OC ZINC000260754378 572326125 /nfs/dbraw/zinc/32/61/25/572326125.db2.gz QLQGYPPYDFYFPJ-OAQYLSRUSA-N 0 0 571.671 3.980 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)c2ccccc2)cc1 ZINC000260754508 572326085 /nfs/dbraw/zinc/32/60/85/572326085.db2.gz QQIHWXGBYKIJSA-HSZRJFAPSA-N 0 0 537.682 3.875 40 0 KHABRN COc1cccc(N(CCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1 ZINC000260754525 571669787 /nfs/dbraw/zinc/66/97/87/571669787.db2.gz QQNAXXLJZWYSGA-LJQANCHMSA-N 0 0 524.083 3.837 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)cc1 ZINC000260754633 571669735 /nfs/dbraw/zinc/66/97/35/571669735.db2.gz BQLPCYWMODNSRU-OAQYLSRUSA-N 0 0 515.676 3.636 40 0 KHABRN COc1cccc(CN(C(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000260754643 571669772 /nfs/dbraw/zinc/66/97/72/571669772.db2.gz BQLVVYQYJPSPNY-LJQANCHMSA-N 0 0 536.094 3.899 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1 ZINC000260754694 571669742 /nfs/dbraw/zinc/66/97/42/571669742.db2.gz QVOFZQNQNJIQFM-HXUWFJFHSA-N 0 0 503.665 3.527 40 0 KHABRN COc1ccc(CN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000260754784 571669869 /nfs/dbraw/zinc/66/98/69/571669869.db2.gz BTPQQBYABNZLCQ-OAQYLSRUSA-N 0 0 515.676 3.554 40 0 KHABRN CCOc1ccc(N(CCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260754794 571669866 /nfs/dbraw/zinc/66/98/66/571669866.db2.gz RAFSCTVRHSRHIA-JOCHJYFZSA-N 0 0 517.692 3.882 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000260754805 571669862 /nfs/dbraw/zinc/66/98/62/571669862.db2.gz RBDVFPGRXCDBDJ-OAQYLSRUSA-N 0 0 541.645 3.972 40 0 KHABRN CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260754866 571669919 /nfs/dbraw/zinc/66/99/19/571669919.db2.gz RFEPFLXDCWORJB-OAQYLSRUSA-N 0 0 533.691 3.582 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1 ZINC000260754893 571669905 /nfs/dbraw/zinc/66/99/05/571669905.db2.gz RGTSUJPGBUYUCE-MRXNPFEDSA-N 0 0 530.474 3.710 40 0 KHABRN CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260754902 571669908 /nfs/dbraw/zinc/66/99/08/571669908.db2.gz BXRQXVNZZLVITH-JOCHJYFZSA-N 0 0 513.704 3.924 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)c2ccccc2OC)cc1 ZINC000260754909 571670008 /nfs/dbraw/zinc/67/00/08/571670008.db2.gz RHMOGWMBXRKCPJ-JOCHJYFZSA-N 0 0 553.681 3.841 40 0 KHABRN CCOc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O ZINC000260754917 571670003 /nfs/dbraw/zinc/67/00/03/571670003.db2.gz BZRNXWWOWIYQBJ-JOCHJYFZSA-N 0 0 529.703 3.760 40 0 KHABRN COc1cccc(CN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)C(=O)NC(C)C)c1 ZINC000260754920 571669956 /nfs/dbraw/zinc/66/99/56/571669956.db2.gz RJLVMAOUBBTPTQ-OAQYLSRUSA-N 0 0 599.681 3.743 40 0 KHABRN COc1ccccc1N(CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260754921 571669995 /nfs/dbraw/zinc/66/99/95/571669995.db2.gz CAIRESRBOSNANF-JOCHJYFZSA-N 0 0 529.703 3.760 40 0 KHABRN COc1ccc(N(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O)cc1Cl ZINC000260754930 571670001 /nfs/dbraw/zinc/67/00/01/571670001.db2.gz RJRWZFYKSMGPQE-MRXNPFEDSA-N 0 0 530.474 3.710 40 0 KHABRN CC(=O)c1cccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)S(C)(=O)=O)c1 ZINC000260754966 571669967 /nfs/dbraw/zinc/66/99/67/571669967.db2.gz CCYJQWSXBBYWDZ-OAQYLSRUSA-N 0 0 527.687 3.564 40 0 KHABRN COc1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000260754989 571669958 /nfs/dbraw/zinc/66/99/58/571669958.db2.gz CDJGQLAJXNQYAD-OAQYLSRUSA-N 0 0 537.682 3.945 40 0 KHABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC)S(C)(=O)=O ZINC000260755599 571670061 /nfs/dbraw/zinc/67/00/61/571670061.db2.gz HQYHTLCUOPSCIG-AREMUKBSSA-N 0 0 525.646 3.540 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC)S(C)(=O)=O)cc1 ZINC000260755636 571670135 /nfs/dbraw/zinc/67/01/35/571670135.db2.gz IRKXPHVRUYKSGJ-HHHXNRCGSA-N 0 0 537.682 3.546 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCCO2 ZINC000260755731 571670170 /nfs/dbraw/zinc/67/01/70/571670170.db2.gz JYXATSGLUCVGSU-RUZDIDTESA-N 0 0 586.110 3.653 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2 ZINC000260755745 571670180 /nfs/dbraw/zinc/67/01/80/571670180.db2.gz KCYWSKVXWLDIDE-XMMPIXPASA-N 0 0 572.083 3.611 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000260755754 571670159 /nfs/dbraw/zinc/67/01/59/571670159.db2.gz KEZDNOYEKSFVNM-HXUWFJFHSA-N 0 0 587.670 3.600 40 0 KHABRN CCS(=O)(=O)N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC)c1ccc2c(c1)OCO2 ZINC000260755799 571670264 /nfs/dbraw/zinc/67/02/64/571670264.db2.gz KUCAFLJWUMLLFH-XMMPIXPASA-N 0 0 572.083 3.611 40 0 KHABRN CCOc1ccc(N(CCCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260755857 571670260 /nfs/dbraw/zinc/67/02/60/571670260.db2.gz DPBYUGFSBBBFGK-OAQYLSRUSA-N 0 0 547.718 3.972 40 0 KHABRN CCOc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000260755896 571670234 /nfs/dbraw/zinc/67/02/34/571670234.db2.gz DQKCJOJCTKXBTQ-HSZRJFAPSA-N 0 0 521.655 3.713 40 0 KHABRN Cc1cccc(C)c1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O ZINC000260756004 571670357 /nfs/dbraw/zinc/67/03/57/571670357.db2.gz DUILAMVINOTGGT-HXUWFJFHSA-N 0 0 503.640 3.685 40 0 KHABRN COc1cccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000260757629 571670453 /nfs/dbraw/zinc/67/04/53/571670453.db2.gz RNORNLVAVVTNSM-OAQYLSRUSA-N 0 0 541.645 3.972 40 0 KHABRN 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598.741 3.859 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000261040165 572043863 /nfs/dbraw/zinc/04/38/63/572043863.db2.gz YKGAGINLYMJYJK-RTWAWAEBSA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000261040167 572043826 /nfs/dbraw/zinc/04/38/26/572043826.db2.gz YKGAGINLYMJYJK-SFTDATJTSA-N 0 0 533.691 3.582 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000261040244 572044048 /nfs/dbraw/zinc/04/40/48/572044048.db2.gz YMUVHELEDRMOOE-MOPGFXCFSA-N 0 0 568.534 3.864 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O ZINC000261040245 572044063 /nfs/dbraw/zinc/04/40/63/572044063.db2.gz YMUVHELEDRMOOE-OALUTQOASA-N 0 0 568.534 3.864 40 0 KHABRN CCc1ccccc1N(CC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)N[C@@H](C)CC)S(C)(=O)=O ZINC000261040255 572044093 /nfs/dbraw/zinc/04/40/93/572044093.db2.gz 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/nfs/dbraw/zinc/05/14/99/572051499.db2.gz ZJNGILOQHHWGKK-XXBNENTESA-N 0 0 523.099 3.675 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000261046902 572051444 /nfs/dbraw/zinc/05/14/44/572051444.db2.gz LHPPXQQKBYQRQO-IRXDYDNUSA-N 0 0 528.046 3.586 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000261046904 572051531 /nfs/dbraw/zinc/05/15/31/572051531.db2.gz LHPPXQQKBYQRQO-SJORKVTESA-N 0 0 528.046 3.586 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000261046912 572051475 /nfs/dbraw/zinc/05/14/75/572051475.db2.gz LHSIATATUGJDEP-MSOLQXFVSA-N 0 0 571.513 3.533 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C ZINC000261046915 572051438 /nfs/dbraw/zinc/05/14/38/572051438.db2.gz LHSIATATUGJDEP-ROUUACIJSA-N 0 0 571.513 3.533 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000261046944 572051760 /nfs/dbraw/zinc/05/17/60/572051760.db2.gz ZKCBAJPTKCUHHQ-RDPSFJRHSA-N 0 0 561.701 3.692 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O ZINC000261046946 572051757 /nfs/dbraw/zinc/05/17/57/572051757.db2.gz ZKCBAJPTKCUHHQ-YKSBVNFPSA-N 0 0 561.701 3.692 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000261046963 572051740 /nfs/dbraw/zinc/05/17/40/572051740.db2.gz LIJQYALOEDBRLU-AMGIVPHBSA-N 0 0 597.709 3.918 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000261046967 572051811 /nfs/dbraw/zinc/05/18/11/572051811.db2.gz LIJQYALOEDBRLU-CUNXSJBXSA-N 0 0 597.709 3.918 40 0 KHABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O ZINC000261046999 572051819 /nfs/dbraw/zinc/05/18/19/572051819.db2.gz LIZIITXEWORSLZ-IRXDYDNUSA-N 0 0 589.471 3.528 40 0 KHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O 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ZINC000261126050 572102723 /nfs/dbraw/zinc/10/27/23/572102723.db2.gz ZZFOYKPTUZCGSF-ROUUACIJSA-N 0 0 566.518 3.750 40 0 KHABRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Cl)OCO2 ZINC000261361815 572103527 /nfs/dbraw/zinc/10/35/27/572103527.db2.gz BCNSFOYWNWBDIH-IBGZPJMESA-O 0 0 522.788 3.917 40 0 KHABRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc2c(cc1Cl)OCO2 ZINC000261361818 572103686 /nfs/dbraw/zinc/10/36/86/572103686.db2.gz BCNSFOYWNWBDIH-LJQANCHMSA-O 0 0 522.788 3.917 40 0 KHABRN CCOc1cc(Br)cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1OC(C)=O ZINC000261361907 572103732 /nfs/dbraw/zinc/10/37/32/572103732.db2.gz DBTNOORRHWBTFK-JOCHJYFZSA-O 0 0 546.423 3.859 40 0 KHABRN CCOc1cc(Br)cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1OC(C)=O ZINC000261361910 572103759 /nfs/dbraw/zinc/10/37/59/572103759.db2.gz DBTNOORRHWBTFK-QFIPXVFZSA-O 0 0 546.423 3.859 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(I)c(OC)c(OC)c1 ZINC000261362072 572103785 /nfs/dbraw/zinc/10/37/85/572103785.db2.gz FLXOVHYWDACLBP-NRFANRHFSA-O 0 0 565.413 3.784 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(I)c(OC)c(OC)c1 ZINC000261362076 572103904 /nfs/dbraw/zinc/10/39/04/572103904.db2.gz FLXOVHYWDACLBP-OAQYLSRUSA-O 0 0 565.413 3.784 40 0 KHABRN COc1cc(Br)cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1OC ZINC000261362105 572103766 /nfs/dbraw/zinc/10/37/66/572103766.db2.gz FTRLUTVBIDZRDU-FQEVSTJZSA-O 0 0 504.386 3.552 40 0 KHABRN COc1cc(Br)cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c1OC ZINC000261362107 572103535 /nfs/dbraw/zinc/10/35/35/572103535.db2.gz FTRLUTVBIDZRDU-HXUWFJFHSA-O 0 0 504.386 3.552 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)cc(OC)c1OC(C)=O ZINC000261362127 572103725 /nfs/dbraw/zinc/10/37/25/572103725.db2.gz GDIQFONZVWEWBH-JOCHJYFZSA-O 0 0 546.423 3.859 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)cc(OC)c1OC(C)=O ZINC000261362129 572104182 /nfs/dbraw/zinc/10/41/82/572104182.db2.gz GDIQFONZVWEWBH-QFIPXVFZSA-O 0 0 546.423 3.859 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(I)c(O)c(OC)c1 ZINC000261362396 572104307 /nfs/dbraw/zinc/10/43/07/572104307.db2.gz JFXRGLKLHHMBEU-KRWDZBQOSA-O 0 0 509.349 3.540 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(I)c(O)c(OC)c1 ZINC000261362397 572104191 /nfs/dbraw/zinc/10/41/91/572104191.db2.gz JFXRGLKLHHMBEU-QGZVFWFLSA-O 0 0 509.349 3.540 40 0 KHABRN COc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1O ZINC000261362596 572104256 /nfs/dbraw/zinc/10/42/56/572104256.db2.gz LYMSBVXDYHZASY-INIZCTEOSA-O 0 0 574.218 3.912 40 0 KHABRN COc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1O ZINC000261362597 572104197 /nfs/dbraw/zinc/10/41/97/572104197.db2.gz LYMSBVXDYHZASY-MRXNPFEDSA-O 0 0 574.218 3.912 40 0 KHABRN CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(I)c1O ZINC000261362838 572104718 /nfs/dbraw/zinc/10/47/18/572104718.db2.gz MQPNLDAFWZNBIP-GOSISDBHSA-O 0 0 523.376 3.930 40 0 KHABRN CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCC)n[n+]32)cc(I)c1O ZINC000261362840 572104865 /nfs/dbraw/zinc/10/48/65/572104865.db2.gz MQPNLDAFWZNBIP-SFHVURJKSA-O 0 0 523.376 3.930 40 0 KHABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000261363328 572105155 /nfs/dbraw/zinc/10/51/55/572105155.db2.gz GVGCALMLQSLENE-NRFANRHFSA-O 0 0 518.413 3.942 40 0 KHABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000261363329 572105128 /nfs/dbraw/zinc/10/51/28/572105128.db2.gz GVGCALMLQSLENE-OAQYLSRUSA-O 0 0 518.413 3.942 40 0 KHABRN CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1O ZINC000261363831 572105937 /nfs/dbraw/zinc/10/59/37/572105937.db2.gz WSJYANTUIWPXIJ-KRWDZBQOSA-O 0 0 509.349 3.540 40 0 KHABRN CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc(I)c1O ZINC000261363832 572105843 /nfs/dbraw/zinc/10/58/43/572105843.db2.gz WSJYANTUIWPXIJ-QGZVFWFLSA-O 0 0 509.349 3.540 40 0 KHABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)cc1OC(C)=O ZINC000261363885 572105870 /nfs/dbraw/zinc/10/58/70/572105870.db2.gz YFHHONKHADEGTB-RUZDIDTESA-O 0 0 523.591 3.793 40 0 KHABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)cc1OC(C)=O ZINC000261363886 572105775 /nfs/dbraw/zinc/10/57/75/572105775.db2.gz YFHHONKHADEGTB-VWLOTQADSA-O 0 0 523.591 3.793 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000261364003 572106510 /nfs/dbraw/zinc/10/65/10/572106510.db2.gz YNDYTLBTRLGBML-FQEVSTJZSA-O 0 0 502.370 3.653 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000261364004 572106565 /nfs/dbraw/zinc/10/65/65/572106565.db2.gz YNDYTLBTRLGBML-HXUWFJFHSA-O 0 0 502.370 3.653 40 0 KHABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000261364214 572106580 /nfs/dbraw/zinc/10/65/80/572106580.db2.gz KAPCQBZDTXHDDJ-RUZDIDTESA-O 0 0 525.607 3.885 40 0 KHABRN CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000261364215 572106332 /nfs/dbraw/zinc/10/63/32/572106332.db2.gz KAPCQBZDTXHDDJ-VWLOTQADSA-O 0 0 525.607 3.885 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261364524 572107022 /nfs/dbraw/zinc/10/70/22/572107022.db2.gz LXZJKETXJFTTGD-FQEVSTJZSA-O 0 0 502.370 3.653 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261364525 572106841 /nfs/dbraw/zinc/10/68/41/572106841.db2.gz LXZJKETXJFTTGD-HXUWFJFHSA-O 0 0 502.370 3.653 40 0 KHABRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCC(=O)OCC)c(OCC)c1 ZINC000261364689 572107017 /nfs/dbraw/zinc/10/70/17/572107017.db2.gz MYJHCOBZOXYNFK-AREMUKBSSA-O 0 0 539.634 3.893 40 0 KHABRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCC(=O)OCC)c(OCC)c1 ZINC000261364690 572107057 /nfs/dbraw/zinc/10/70/57/572107057.db2.gz MYJHCOBZOXYNFK-SANMLTNESA-O 0 0 539.634 3.893 40 0 KHABRN COc1cc(Br)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc1OC ZINC000261364695 572106880 /nfs/dbraw/zinc/10/68/80/572106880.db2.gz MZQJCALKWBNNIE-FQEVSTJZSA-O 0 0 504.386 3.552 40 0 KHABRN COc1cc(Br)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)cc1OC ZINC000261364696 572106857 /nfs/dbraw/zinc/10/68/57/572106857.db2.gz MZQJCALKWBNNIE-HXUWFJFHSA-O 0 0 504.386 3.552 40 0 KHABRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(Br)o1 ZINC000261365111 572107155 /nfs/dbraw/zinc/10/71/55/572107155.db2.gz QDDRXXRMTKQMTF-INIZCTEOSA-O 0 0 513.191 3.890 40 0 KHABRN CSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(Br)o1 ZINC000261365112 572107349 /nfs/dbraw/zinc/10/73/49/572107349.db2.gz QDDRXXRMTKQMTF-MRXNPFEDSA-O 0 0 513.191 3.890 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000261365176 572107287 /nfs/dbraw/zinc/10/72/87/572107287.db2.gz QOWYIOKFGXWUOR-JOCHJYFZSA-O 0 0 546.423 3.859 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000261365177 572107330 /nfs/dbraw/zinc/10/73/30/572107330.db2.gz QOWYIOKFGXWUOR-QFIPXVFZSA-O 0 0 546.423 3.859 40 0 KHABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@H]1c1cc2c(cc1Br)OCO2 ZINC000261365695 572107938 /nfs/dbraw/zinc/10/79/38/572107938.db2.gz URERSEZARLFXJH-FQEVSTJZSA-O 0 0 502.370 3.653 40 0 KHABRN CCC(=O)N1c2ccccc2-c2c(=O)[n-]c(SC)n[n+]2[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000261365696 572108591 /nfs/dbraw/zinc/10/85/91/572108591.db2.gz URERSEZARLFXJH-HXUWFJFHSA-O 0 0 502.370 3.653 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000261365958 572108477 /nfs/dbraw/zinc/10/84/77/572108477.db2.gz WNQOFSHKXSRKJU-NRFANRHFSA-O 0 0 518.413 3.942 40 0 KHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC)c1 ZINC000261365959 572108568 /nfs/dbraw/zinc/10/85/68/572108568.db2.gz WNQOFSHKXSRKJU-OAQYLSRUSA-O 0 0 518.413 3.942 40 0 KHABRN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)OCC(=O)c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000261526572 572112720 /nfs/dbraw/zinc/11/27/20/572112720.db2.gz BGSPCKRIMQSCFK-JOCHJYFZSA-N 0 0 561.418 3.940 40 0 KHABRN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)OCC(=O)c4ccc(Cl)c(Cl)c4)CC3)C2=O)cc1 ZINC000261526573 572112744 /nfs/dbraw/zinc/11/27/44/572112744.db2.gz BGSPCKRIMQSCFK-QFIPXVFZSA-N 0 0 561.418 3.940 40 0 KHABRN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)OCC(=O)c4ccc(Cl)cc4Cl)CC3)C2=O)cc1 ZINC000261526577 572112722 /nfs/dbraw/zinc/11/27/22/572112722.db2.gz BKHWIWDTGXCXBE-JOCHJYFZSA-N 0 0 561.418 3.940 40 0 KHABRN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)OCC(=O)c4ccc(Cl)cc4Cl)CC3)C2=O)cc1 ZINC000261526578 572112718 /nfs/dbraw/zinc/11/27/18/572112718.db2.gz BKHWIWDTGXCXBE-QFIPXVFZSA-N 0 0 561.418 3.940 40 0 KHABRN CC(C)(C)OC(=O)N1CCN(C(=S)S[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000261526746 572113116 /nfs/dbraw/zinc/11/31/16/572113116.db2.gz IPCABXYUOJSBHC-HNNXBMFYSA-N 0 0 503.568 3.908 40 0 KHABRN CC(C)(C)OC(=O)N1CCN(C(=S)S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000261526747 572113105 /nfs/dbraw/zinc/11/31/05/572113105.db2.gz IPCABXYUOJSBHC-OAHLLOKOSA-N 0 0 503.568 3.908 40 0 KHABRN CC(C)(C)OC(=O)N1CCN(C(=S)S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000261526958 572113660 /nfs/dbraw/zinc/11/36/60/572113660.db2.gz RUSLBMFINSZVAB-HNNXBMFYSA-N 0 0 514.467 3.652 40 0 KHABRN CC(C)(C)OC(=O)N1CCN(C(=S)S[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000261526959 572113719 /nfs/dbraw/zinc/11/37/19/572113719.db2.gz RUSLBMFINSZVAB-OAHLLOKOSA-N 0 0 514.467 3.652 40 0 KHABRN COC(=O)[C@@H](CCCCN(OC)C(=O)OCCC(=O)OCc1ccccc1)N(OC)C(=O)OCCC(=O)OCc1ccccc1 ZINC000263583574 572114454 /nfs/dbraw/zinc/11/44/54/572114454.db2.gz KXVRFQFSBTVKIS-AREMUKBSSA-N 0 0 632.663 3.965 40 0 KHABRN COC(=O)[C@H](CCCCN(OC)C(=O)OCCC(=O)OCc1ccccc1)N(OC)C(=O)OCCC(=O)OCc1ccccc1 ZINC000263583575 572114473 /nfs/dbraw/zinc/11/44/73/572114473.db2.gz KXVRFQFSBTVKIS-SANMLTNESA-N 0 0 632.663 3.965 40 0 KHABRN COc1cc(Nc2nc3nc[nH]c3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)ccc1N1CCC(O)CC1 ZINC000263615872 572131010 /nfs/dbraw/zinc/13/10/10/572131010.db2.gz FQLBBUJOMLGGJW-UHFFFAOYSA-N 0 0 537.646 3.992 40 0 KHABRN C=C1[C@@H](C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)C=CC(=O)C(=O)C(C)C[C@@H](C)CC=C[C@H]3[C@@H]1O ZINC000299806634 1066319459 /nfs/dbraw/zinc/31/94/59/1066319459.db2.gz FTBNYQWFSWKCKW-KHBHDFKZSA-N 0 0 528.649 3.592 40 0 biogenic,in-vitro KHABRN CCCCC[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000299817154 572138608 /nfs/dbraw/zinc/13/86/08/572138608.db2.gz HUDAMYXUDLGXNK-BRYRMHQASA-N 0 0 680.953 3.813 40 0 in-vitro KHABRN CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000299817155 572138456 /nfs/dbraw/zinc/13/84/56/572138456.db2.gz HUDAMYXUDLGXNK-VEFXVNFKSA-N 0 0 680.953 3.813 40 0 in-vitro KHABRN O=C(c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCN(C(=O)c2ccccc2)CC1 ZINC000306131782 572144761 /nfs/dbraw/zinc/14/47/61/572144761.db2.gz KPLKKHLUNUVOHW-RUZDIDTESA-N 0 0 507.594 3.910 40 0 KHABRN O=C(c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCN(C(=O)c2ccccc2)CC1 ZINC000306131783 572144990 /nfs/dbraw/zinc/14/49/90/572144990.db2.gz KPLKKHLUNUVOHW-VWLOTQADSA-N 0 0 507.594 3.910 40 0 KHABRN O=C(NCc1ccco1)c1nnc2n1-c1ccccc1OC1(CCN(C(=O)c3ccc(F)cc3)CC1)C2 ZINC000306137648 572144994 /nfs/dbraw/zinc/14/49/94/572144994.db2.gz RCEOOYWBGJHCIJ-UHFFFAOYSA-N 0 0 501.518 3.539 40 0 KHABRN CCOC(=O)c1c(C(=O)OCC)n(S(=O)(=O)c2ccc(C)cc2)c2c1c(Br)cnc2OC ZINC000306145256 572144890 /nfs/dbraw/zinc/14/48/90/572144890.db2.gz ZBCJKPKRRJCEJZ-UHFFFAOYSA-N 0 0 525.377 3.706 40 0 KHABRN CCCOC(=O)CNC1([C@@H](Cc2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)NC(=O)OC(C)(C)C)COC1 ZINC000306145690 572145042 /nfs/dbraw/zinc/14/50/42/572145042.db2.gz NUEVIKULQHNPSZ-AREMUKBSSA-N 0 0 585.723 3.934 40 0 KHABRN CCCOC(=O)CNC1([C@H](Cc2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)NC(=O)OC(C)(C)C)COC1 ZINC000306145691 572144979 /nfs/dbraw/zinc/14/49/79/572144979.db2.gz NUEVIKULQHNPSZ-SANMLTNESA-N 0 0 585.723 3.934 40 0 KHABRN CC(C)(C)OC(=O)n1cc(C[C@H]([NH2+]C2(CNC(=O)OCc3ccccc3)COC2)C(=O)[O-])c2ccccc21 ZINC000306145782 572144999 /nfs/dbraw/zinc/14/49/99/572144999.db2.gz PXMDCMVUVWRXII-QFIPXVFZSA-N 0 0 523.586 3.705 40 0 KHABRN C[NH+](C)CCCNc1nc(-c2cccc(OC(F)(F)F)c2)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC000328965551 572146848 /nfs/dbraw/zinc/14/68/48/572146848.db2.gz CEEKXGMDMHCHNY-UHFFFAOYSA-N 0 0 526.541 4.092 40 0 KHABRN OCCNc1nc(Nc2ccc(I)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328979548 572147213 /nfs/dbraw/zinc/14/72/13/572147213.db2.gz GFVGGQMDYFSQSB-UHFFFAOYSA-N 0 0 534.251 3.778 40 0 KHABRN OCCNc1nc(Nc2ccccc2I)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328983702 572147514 /nfs/dbraw/zinc/14/75/14/572147514.db2.gz HINQHUDTWSQDSW-UHFFFAOYSA-N 0 0 516.261 3.638 40 0 KHABRN 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ZINC000408542902 572211057 /nfs/dbraw/zinc/21/10/57/572211057.db2.gz BCMZFILARGLEOX-GOSISDBHSA-N 0 0 517.629 3.679 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000408542908 572211698 /nfs/dbraw/zinc/21/16/98/572211698.db2.gz BCMZFILARGLEOX-SFHVURJKSA-N 0 0 517.629 3.679 40 0 KHABRN CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000408543003 572211636 /nfs/dbraw/zinc/21/16/36/572211636.db2.gz BUFMXEBVGOZQDE-UHFFFAOYSA-N 0 0 536.031 3.748 40 0 KHABRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000408543338 572212876 /nfs/dbraw/zinc/21/28/76/572212876.db2.gz CXKWKTWMEKUDAE-UHFFFAOYSA-N 0 0 552.030 3.583 40 0 KHABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)c1 ZINC000408543438 572212883 /nfs/dbraw/zinc/21/28/83/572212883.db2.gz DKSSUXSJGQIHEB-UHFFFAOYSA-N 0 0 543.667 3.686 40 0 KHABRN CCCOC(=O)c1cc(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1Cl ZINC000408543710 572213177 /nfs/dbraw/zinc/21/31/77/572213177.db2.gz QKJJWOGUALKXRE-UHFFFAOYSA-N 0 0 543.049 3.825 40 0 KHABRN Cc1cc(I)ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000408543778 572213813 /nfs/dbraw/zinc/21/38/13/572213813.db2.gz QEKQRZJAYCFIAV-UHFFFAOYSA-N 0 0 562.437 3.518 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000408543949 572214143 /nfs/dbraw/zinc/21/41/43/572214143.db2.gz GHHFSMBLBILQGM-UHFFFAOYSA-N 0 0 557.694 3.845 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(Cl)cc2)cc1OC ZINC000408544057 572214811 /nfs/dbraw/zinc/21/48/11/572214811.db2.gz GUQRYCUSKVKFOC-UHFFFAOYSA-N 0 0 518.975 3.598 40 0 KHABRN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000408544544 572215808 /nfs/dbraw/zinc/21/58/08/572215808.db2.gz HNPOMDBNDBCKIK-INIZCTEOSA-N 0 0 508.021 3.934 40 0 KHABRN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000408544548 572215769 /nfs/dbraw/zinc/21/57/69/572215769.db2.gz HNPOMDBNDBCKIK-MRXNPFEDSA-N 0 0 508.021 3.934 40 0 KHABRN CCn1c2ccc(NC(=O)CSc3nnc(CN4CCOCC4)n3-c3ccc(Cl)cc3)cc2n(CC)c1=O ZINC000408544713 572216172 /nfs/dbraw/zinc/21/61/72/572216172.db2.gz WZNXXNMPZTUBSX-UHFFFAOYSA-N 0 0 556.092 3.640 40 0 KHABRN CCOC(=O)c1sc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c(C(=O)OCC)c1C ZINC000408544739 572216847 /nfs/dbraw/zinc/21/68/47/572216847.db2.gz XKNNKRDMYKLHCV-UHFFFAOYSA-N 0 0 573.697 3.554 40 0 KHABRN CCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408544743 572216828 /nfs/dbraw/zinc/21/68/28/572216828.db2.gz JCLWLVYGXUUWEZ-UHFFFAOYSA-N 0 0 511.619 3.764 40 0 KHABRN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000408545021 572217285 /nfs/dbraw/zinc/21/72/85/572217285.db2.gz MPWBMCPSNKLNIR-UHFFFAOYSA-N 0 0 563.511 3.974 40 0 KHABRN CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(-c3ccc(OC)cc3)n2)c(C(=O)OCC)c1C ZINC000408545042 572217271 /nfs/dbraw/zinc/21/72/71/572217271.db2.gz OBMSNBWVOGKIDN-UHFFFAOYSA-N 0 0 504.590 3.934 40 0 KHABRN O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000408545121 572217917 /nfs/dbraw/zinc/21/79/17/572217917.db2.gz YTHSALXREPFCRU-UHFFFAOYSA-N 0 0 502.084 3.930 40 0 KHABRN Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)ccc1Br ZINC000408545260 572218395 /nfs/dbraw/zinc/21/83/95/572218395.db2.gz JUMAOAKTGIEOOA-UHFFFAOYSA-N 0 0 558.520 3.727 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc2c(c1)OCO2 ZINC000408545361 572218325 /nfs/dbraw/zinc/21/83/25/572218325.db2.gz KVCKWRUYWPXFNL-UHFFFAOYSA-N 0 0 572.448 3.928 40 0 KHABRN Cn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1cc(Br)ccc1O ZINC000408545576 572219545 /nfs/dbraw/zinc/21/95/45/572219545.db2.gz ZYSAWTFLWPHWCR-UHFFFAOYSA-N 0 0 504.410 3.518 40 0 KHABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C ZINC000408545658 572220118 /nfs/dbraw/zinc/22/01/18/572220118.db2.gz LYUPXSYFOGGNBR-UHFFFAOYSA-N 0 0 507.612 3.791 40 0 KHABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000408545845 572221153 /nfs/dbraw/zinc/22/11/53/572221153.db2.gz OWJCMGKXXHUAMK-UHFFFAOYSA-N 0 0 516.959 3.991 40 0 KHABRN COc1ccc(CCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408546088 572222060 /nfs/dbraw/zinc/22/20/60/572222060.db2.gz CCUUZAYWBRVSLB-UHFFFAOYSA-N 0 0 519.019 3.920 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000408546438 572222804 /nfs/dbraw/zinc/22/28/04/572222804.db2.gz SOJJITMCAMWBER-UHFFFAOYSA-N 0 0 511.619 3.764 40 0 KHABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000408546509 572223264 /nfs/dbraw/zinc/22/32/64/572223264.db2.gz SZNRYPMBCIAECT-IBGZPJMESA-N 0 0 501.630 3.897 40 0 KHABRN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000408546511 572223216 /nfs/dbraw/zinc/22/32/16/572223216.db2.gz SZNRYPMBCIAECT-LJQANCHMSA-N 0 0 501.630 3.897 40 0 KHABRN Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)ccc1Br ZINC000408546532 572223295 /nfs/dbraw/zinc/22/32/95/572223295.db2.gz UBBYSOVMDXVEHW-UHFFFAOYSA-N 0 0 552.472 3.963 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 ZINC000408546746 572223635 /nfs/dbraw/zinc/22/36/35/572223635.db2.gz UXNKFIRXISQRMR-UHFFFAOYSA-N 0 0 572.448 3.928 40 0 KHABRN CCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408546804 572224248 /nfs/dbraw/zinc/22/42/48/572224248.db2.gz WEALOOMGIZKBSP-UHFFFAOYSA-N 0 0 511.600 3.921 40 0 KHABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)c1 ZINC000408547335 572225330 /nfs/dbraw/zinc/22/53/30/572225330.db2.gz YYTCBBBBBUQOAQ-UHFFFAOYSA-N 0 0 543.667 3.686 40 0 KHABRN CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2ccc(F)cc2)cc1 ZINC000408547379 572225627 /nfs/dbraw/zinc/22/56/27/572225627.db2.gz IZHNLQCBGDXMPA-UHFFFAOYSA-N 0 0 527.618 3.777 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc2c(c1)OCO2 ZINC000408547389 572225572 /nfs/dbraw/zinc/22/55/72/572225572.db2.gz JCTPDQNIRXLLKL-UHFFFAOYSA-N 0 0 553.618 3.774 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000408547633 572226292 /nfs/dbraw/zinc/22/62/92/572226292.db2.gz KKLAQWJNROOXFE-UHFFFAOYSA-N 0 0 534.487 3.963 40 0 KHABRN COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408547765 572226779 /nfs/dbraw/zinc/22/67/79/572226779.db2.gz MMECFJJJOUCCLO-UHFFFAOYSA-N 0 0 516.019 3.859 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(I)cc3)c(OC)c2)C1=O ZINC000408547869 572227328 /nfs/dbraw/zinc/22/73/28/572227328.db2.gz ALVNOKZDMYAUQB-LZYBPNLTSA-N 0 0 648.191 3.549 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000408547877 572227312 /nfs/dbraw/zinc/22/73/12/572227312.db2.gz AMBLHMABWGAFOP-VCHYOVAHSA-N 0 0 503.349 3.801 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000408547977 572227819 /nfs/dbraw/zinc/22/78/19/572227819.db2.gz BGPNMNKZVHROSC-VCHYOVAHSA-N 0 0 503.349 3.801 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408548017 572227836 /nfs/dbraw/zinc/22/78/36/572227836.db2.gz BWHYVEJCXFXBOR-RQZCQDPDSA-N 0 0 570.767 3.988 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408548072 572227765 /nfs/dbraw/zinc/22/77/65/572227765.db2.gz CTUMOLLGFFEZOR-CAOOACKPSA-N 0 0 507.312 3.632 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCc1cccc(F)c1 ZINC000408548091 572227787 /nfs/dbraw/zinc/22/77/87/572227787.db2.gz DFRYVYKVWXWQER-CAOOACKPSA-N 0 0 507.312 3.632 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000408548201 572228363 /nfs/dbraw/zinc/22/83/63/572228363.db2.gz DVZONTKLDHTPSB-LZYBPNLTSA-N 0 0 509.740 3.756 40 0 KHABRN CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408548227 572228268 /nfs/dbraw/zinc/22/82/68/572228268.db2.gz QRMLFIJMWCFVKA-UHFFFAOYSA-N 0 0 524.595 3.965 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O ZINC000408548269 572228449 /nfs/dbraw/zinc/22/84/49/572228449.db2.gz FKWKINJDOLCJSY-CXUHLZMHSA-N 0 0 571.165 3.698 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000408548294 572228887 /nfs/dbraw/zinc/22/88/87/572228887.db2.gz FWAXSGYEIUPABW-LZYBPNLTSA-N 0 0 556.740 3.598 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408548307 572228948 /nfs/dbraw/zinc/22/89/48/572228948.db2.gz GBARAGMCYAFDOU-VCHYOVAHSA-N 0 0 550.349 3.643 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)C1=O ZINC000408548311 572229077 /nfs/dbraw/zinc/22/90/77/572229077.db2.gz GCIWJWUWHKCEOZ-CXUHLZMHSA-N 0 0 524.165 3.856 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C1=O ZINC000408548336 572229030 /nfs/dbraw/zinc/22/90/30/572229030.db2.gz GNEAVVRQFWKEQE-CXUHLZMHSA-N 0 0 524.165 3.856 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C1=O ZINC000408548362 572228790 /nfs/dbraw/zinc/22/87/90/572228790.db2.gz GXGGZZITJRSLLQ-RQZCQDPDSA-N 0 0 632.192 3.849 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C\c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000408548376 572229116 /nfs/dbraw/zinc/22/91/16/572229116.db2.gz HEUCQOAOJFFEKS-PXNMLYILSA-N 0 0 509.740 3.756 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C\c2cc(I)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000408548394 572229060 /nfs/dbraw/zinc/22/90/60/572229060.db2.gz HPNCLLWJHNTKAT-PXNMLYILSA-N 0 0 556.740 3.598 40 0 KHABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000408548436 572229015 /nfs/dbraw/zinc/22/90/15/572229015.db2.gz RPOMRSAQQDAJCJ-UHFFFAOYSA-N 0 0 523.778 3.625 40 0 KHABRN CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000408548455 572229040 /nfs/dbraw/zinc/22/90/40/572229040.db2.gz RYCUZBUXVSWGNF-UHFFFAOYSA-N 0 0 536.031 3.748 40 0 KHABRN 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572229648 /nfs/dbraw/zinc/22/96/48/572229648.db2.gz JZWPVLCLAWEUGH-CXUHLZMHSA-N 0 0 618.165 3.541 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCc1ccccc1F ZINC000408548680 572230004 /nfs/dbraw/zinc/23/00/04/572230004.db2.gz LBIYVIHDINDSEG-RQZCQDPDSA-N 0 0 507.312 3.632 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000408548688 572229958 /nfs/dbraw/zinc/22/99/58/572229958.db2.gz LFFNNELGKQSXEE-GIJQJNRQSA-N 0 0 503.349 3.801 40 0 KHABRN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408548713 572229995 /nfs/dbraw/zinc/22/99/95/572229995.db2.gz TUXRIEMYMHARII-UHFFFAOYSA-N 0 0 556.588 3.758 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccc(Cl)cc2)cc1OC ZINC000408548724 572229930 /nfs/dbraw/zinc/22/99/30/572229930.db2.gz TZBZESUCQYVDFL-UHFFFAOYSA-N 0 0 588.082 3.626 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(Br)cc3)c(OC)c2)C1=O ZINC000408548813 572229745 /nfs/dbraw/zinc/22/97/45/572229745.db2.gz LOUCJJGMCGDEJC-LZYBPNLTSA-N 0 0 554.191 3.865 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C1=O ZINC000408548825 572230000 /nfs/dbraw/zinc/23/00/00/572230000.db2.gz LRTUJAOYEOEPCC-LZYBPNLTSA-N 0 0 636.155 3.680 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C1=O ZINC000408548850 572230271 /nfs/dbraw/zinc/23/02/71/572230271.db2.gz MBTKOLRHKJUBJA-CXUHLZMHSA-N 0 0 571.165 3.698 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408548854 572230215 /nfs/dbraw/zinc/23/02/15/572230215.db2.gz MESMCZUJXXZUGB-RQZCQDPDSA-N 0 0 570.767 3.988 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)C1=O ZINC000408548912 572230165 /nfs/dbraw/zinc/23/01/65/572230165.db2.gz NGLUEBYIQSCWPN-FRKPEAEDSA-N 0 0 509.740 3.756 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C1=O ZINC000408548924 572230409 /nfs/dbraw/zinc/23/04/09/572230409.db2.gz NMQMFGKPSRAZKC-CXUHLZMHSA-N 0 0 526.714 3.589 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc(Cl)cc3)cc2Br)C1=O ZINC000408548959 572230236 /nfs/dbraw/zinc/23/02/36/572230236.db2.gz OFUZFPUSZYAEOK-FRKPEAEDSA-N 0 0 509.740 3.756 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C1=O ZINC000408548970 572230148 /nfs/dbraw/zinc/23/01/48/572230148.db2.gz OLCHXCVABHTDLW-CXUHLZMHSA-N 0 0 524.165 3.856 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408549011 572230353 /nfs/dbraw/zinc/23/03/53/572230353.db2.gz VQCVBCKCUNGZTJ-IBGZPJMESA-N 0 0 501.630 3.897 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 ZINC000408549012 572230399 /nfs/dbraw/zinc/23/03/99/572230399.db2.gz VQCVBCKCUNGZTJ-LJQANCHMSA-N 0 0 501.630 3.897 40 0 KHABRN COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccc(F)cc2)cc1 ZINC000408549022 572230191 /nfs/dbraw/zinc/23/01/91/572230191.db2.gz VTSIBKSJWRAKOJ-UHFFFAOYSA-N 0 0 501.555 3.518 40 0 KHABRN 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WLIRFDXQGINKPF-LZYBPNLTSA-N 0 0 556.740 3.598 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)C1=O ZINC000408549688 572232508 /nfs/dbraw/zinc/23/25/08/572232508.db2.gz XAZMNYZEAYRBJN-LZYBPNLTSA-N 0 0 636.155 3.680 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O ZINC000408549776 572232520 /nfs/dbraw/zinc/23/25/20/572232520.db2.gz YVWZHTAJTJZYIC-LZYBPNLTSA-N 0 0 542.155 3.995 40 0 KHABRN COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O ZINC000408549783 572232472 /nfs/dbraw/zinc/23/24/72/572232472.db2.gz YYHCTTBQYDSDDU-LZYBPNLTSA-N 0 0 636.155 3.680 40 0 KHABRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000408549874 572232858 /nfs/dbraw/zinc/23/28/58/572232858.db2.gz AQXQPXCLYSZAEA-FYJGNVAPSA-N 0 0 513.547 3.511 40 0 KHABRN O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc(I)cc2)C1=O)N1CCCC1 ZINC000408550048 572233392 /nfs/dbraw/zinc/23/33/92/572233392.db2.gz DBVNSBVTKYCWRI-SFQUDFHCSA-N 0 0 507.353 3.741 40 0 KHABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408550367 572233910 /nfs/dbraw/zinc/23/39/10/572233910.db2.gz GNSUKQZKHZWSIC-DEDYPNTBSA-N 0 0 513.547 3.511 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccccc3F)CC2)cc1C ZINC000408550387 572233797 /nfs/dbraw/zinc/23/37/97/572233797.db2.gz DFWFBSMRJCGVEI-UHFFFAOYSA-N 0 0 525.646 3.725 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1C ZINC000408550645 572234548 /nfs/dbraw/zinc/23/45/48/572234548.db2.gz FYMYXKQANHANBK-UHFFFAOYSA-N 0 0 537.682 3.594 40 0 KHABRN CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br ZINC000408550831 572235059 /nfs/dbraw/zinc/23/50/59/572235059.db2.gz KFAHAYXXPIZYHJ-OQLLNIDSSA-N 0 0 531.812 3.703 40 0 KHABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000408551168 572235805 /nfs/dbraw/zinc/23/58/05/572235805.db2.gz LVDGDQGLZWDXKR-KGENOOAVSA-N 0 0 509.584 3.680 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1C ZINC000408551272 572235857 /nfs/dbraw/zinc/23/58/57/572235857.db2.gz JUHWBMTXZMEDHZ-UHFFFAOYSA-N 0 0 521.683 3.581 40 0 KHABRN O=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccc(Br)cc1 ZINC000408551573 572236526 /nfs/dbraw/zinc/23/65/26/572236526.db2.gz NVAWTBAEGWLPBE-DHDCSXOGSA-N 0 0 526.128 3.585 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1Br ZINC000408551938 572237412 /nfs/dbraw/zinc/23/74/12/572237412.db2.gz PEPPRPNUEATSQS-OQLLNIDSSA-N 0 0 576.263 3.812 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccccc3)CC2)cc1C ZINC000408552227 572237840 /nfs/dbraw/zinc/23/78/40/572237840.db2.gz PKYOPYFDIQNEGN-UHFFFAOYSA-N 0 0 507.656 3.586 40 0 KHABRN COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000408552280 572238329 /nfs/dbraw/zinc/23/83/29/572238329.db2.gz LDYLISULCXXXOG-UHFFFAOYSA-N 0 0 504.948 3.954 40 0 KHABRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OC(C)C ZINC000408552426 572238301 /nfs/dbraw/zinc/23/83/01/572238301.db2.gz UANIBARUYRUICW-MHWRWJLKSA-N 0 0 530.384 3.746 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000408552993 572239533 /nfs/dbraw/zinc/23/95/33/572239533.db2.gz UAYBRSBDQQHDFB-UHFFFAOYSA-N 0 0 525.646 3.725 40 0 KHABRN COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1I ZINC000408553432 572240719 /nfs/dbraw/zinc/24/07/19/572240719.db2.gz YZMGEZLIKMAMSM-MDWZMJQESA-N 0 0 598.200 3.563 40 0 KHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(Cl)c1 ZINC000408554008 572241465 /nfs/dbraw/zinc/24/14/65/572241465.db2.gz BAADZGHMEJUJIJ-UHFFFAOYSA-N 0 0 500.448 3.718 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1C ZINC000408554108 572241430 /nfs/dbraw/zinc/24/14/30/572241430.db2.gz ZGWDPRMOLYUICN-UHFFFAOYSA-N 0 0 526.655 3.613 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000408554449 572241897 /nfs/dbraw/zinc/24/18/97/572241897.db2.gz 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40 0 KHABRN O=C(NC1CC1)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408572850 572258213 /nfs/dbraw/zinc/25/82/13/572258213.db2.gz AFDZNWGRTLAXAF-UHFFFAOYSA-N 0 0 520.181 3.767 40 0 KHABRN CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Br)ccc21 ZINC000408572906 572258394 /nfs/dbraw/zinc/25/83/94/572258394.db2.gz BRMXRKMALMWNOF-UHFFFAOYSA-N 0 0 522.197 3.933 40 0 KHABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2cc(Br)ccc21 ZINC000408572964 572258387 /nfs/dbraw/zinc/25/83/87/572258387.db2.gz AWDOBALQIDRRHY-UHFFFAOYSA-N 0 0 528.190 3.796 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408573026 572258508 /nfs/dbraw/zinc/25/85/08/572258508.db2.gz BCXAHCPLFUKZFD-BEFAXECRSA-N 0 0 506.386 3.659 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408573036 572258492 /nfs/dbraw/zinc/25/84/92/572258492.db2.gz BCXAHCPLFUKZFD-DNVCBOLYSA-N 0 0 506.386 3.659 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408573395 572258785 /nfs/dbraw/zinc/25/87/85/572258785.db2.gz BCXAHCPLFUKZFD-HNAYVOBHSA-N 0 0 506.386 3.659 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408573396 572258792 /nfs/dbraw/zinc/25/87/92/572258792.db2.gz BCXAHCPLFUKZFD-KXBFYZLASA-N 0 0 506.386 3.659 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Br)ccc21 ZINC000408573447 572258801 /nfs/dbraw/zinc/25/88/01/572258801.db2.gz BKGCVDMVLKBCRS-UHFFFAOYSA-N 0 0 507.772 3.532 40 0 KHABRN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)C2)cc1 ZINC000408573479 572258847 /nfs/dbraw/zinc/25/88/47/572258847.db2.gz BLWMSNMPLTVUEO-JOCHJYFZSA-N 0 0 501.583 3.944 40 0 KHABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4cccc(OC)c4)cc3)C2)cc1 ZINC000408573481 572258814 /nfs/dbraw/zinc/25/88/14/572258814.db2.gz BLWMSNMPLTVUEO-QFIPXVFZSA-N 0 0 501.583 3.944 40 0 KHABRN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)C1 ZINC000408573502 572258809 /nfs/dbraw/zinc/25/88/09/572258809.db2.gz BONVOLQPZXNOSW-JOCHJYFZSA-N 0 0 501.583 3.999 40 0 KHABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)C1 ZINC000408573505 572258957 /nfs/dbraw/zinc/25/89/57/572258957.db2.gz BONVOLQPZXNOSW-QFIPXVFZSA-N 0 0 501.583 3.999 40 0 KHABRN CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCC(C)C)cc1 ZINC000408573533 572258958 /nfs/dbraw/zinc/25/89/58/572258958.db2.gz DDVYURYOFHTOGC-UHFFFAOYSA-N 0 0 501.381 3.897 40 0 KHABRN O=C(NC[C@@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Br)ccc21 ZINC000408573538 572258928 /nfs/dbraw/zinc/25/89/28/572258928.db2.gz DFWRHMYOSRWAKW-HNNXBMFYSA-N 0 0 519.783 3.675 40 0 KHABRN O=C(NC[C@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Br)ccc21 ZINC000408573540 572258932 /nfs/dbraw/zinc/25/89/32/572258932.db2.gz DFWRHMYOSRWAKW-OAHLLOKOSA-N 0 0 519.783 3.675 40 0 KHABRN COc1ccc(CCNC(=O)C(=O)Nn2c(C(=O)Nc3ccccc3)cc3cc(Cl)ccc32)cc1OC ZINC000408573583 572259041 /nfs/dbraw/zinc/25/90/41/572259041.db2.gz BWIAAKDXSKUEBN-UHFFFAOYSA-N 0 0 520.973 3.993 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408573610 572258986 /nfs/dbraw/zinc/25/89/86/572258986.db2.gz BYFLTYDQJJTOSL-JOCHJYFZSA-N 0 0 601.542 3.529 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCN3CCOCC3)CC2=O)cc1 ZINC000408573613 572259033 /nfs/dbraw/zinc/25/90/33/572259033.db2.gz BYFLTYDQJJTOSL-QFIPXVFZSA-N 0 0 601.542 3.529 40 0 KHABRN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)C1 ZINC000408574092 572259321 /nfs/dbraw/zinc/25/93/21/572259321.db2.gz CBXDKVWJVUIGCE-JOCHJYFZSA-N 0 0 501.583 3.999 40 0 KHABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)C1 ZINC000408574093 572259308 /nfs/dbraw/zinc/25/93/08/572259308.db2.gz CBXDKVWJVUIGCE-QFIPXVFZSA-N 0 0 501.583 3.999 40 0 KHABRN Cc1cccc(C)c1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NC[C@H]1CCCO1 ZINC000408574385 572259585 /nfs/dbraw/zinc/25/95/85/572259585.db2.gz HVQKWTJPWDEUPB-GOSISDBHSA-N 0 0 513.392 3.638 40 0 KHABRN Cc1cccc(C)c1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000408574386 572259589 /nfs/dbraw/zinc/25/95/89/572259589.db2.gz HVQKWTJPWDEUPB-SFHVURJKSA-N 0 0 513.392 3.638 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574979 572260062 /nfs/dbraw/zinc/26/00/62/572260062.db2.gz DUBJYNHEGRTHKT-INIZCTEOSA-N 0 0 501.461 3.985 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574981 572260118 /nfs/dbraw/zinc/26/01/18/572260118.db2.gz DUBJYNHEGRTHKT-MRXNPFEDSA-N 0 0 501.461 3.985 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000408575871 572260856 /nfs/dbraw/zinc/26/08/56/572260856.db2.gz LIHNKIYZQMWWDE-GOSISDBHSA-N 0 0 513.392 3.638 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000408575875 572260890 /nfs/dbraw/zinc/26/08/90/572260890.db2.gz LIHNKIYZQMWWDE-SFHVURJKSA-N 0 0 513.392 3.638 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccccc2Cl)cc2cc(Br)ccc21 ZINC000408576281 572261117 /nfs/dbraw/zinc/26/11/17/572261117.db2.gz GFKNQETVEWHJQA-UHFFFAOYSA-N 0 0 507.772 3.532 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2C)cc2cc(Br)ccc21 ZINC000408576346 572261158 /nfs/dbraw/zinc/26/11/58/572261158.db2.gz GNYWJTDTNIFRDU-UHFFFAOYSA-N 0 0 521.799 3.841 40 0 KHABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Br)ccc21 ZINC000408576370 572261207 /nfs/dbraw/zinc/26/12/07/572261207.db2.gz GRCLUFBDQMDRQE-UHFFFAOYSA-N 0 0 553.344 3.910 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Br)ccc21 ZINC000408576423 572261267 /nfs/dbraw/zinc/26/12/67/572261267.db2.gz HBFJKAWXMBNQOR-UHFFFAOYSA-N 0 0 566.250 3.950 40 0 KHABRN CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Br)ccc21 ZINC000408576781 572261394 /nfs/dbraw/zinc/26/13/94/572261394.db2.gz MTRXHDSMMTWFFE-UHFFFAOYSA-N 0 0 508.170 3.543 40 0 KHABRN CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Br)ccc21 ZINC000408576844 572261537 /nfs/dbraw/zinc/26/15/37/572261537.db2.gz NYPXVUFGFIRCBV-UHFFFAOYSA-N 0 0 508.170 3.543 40 0 KHABRN Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)c1 ZINC000408576871 572261586 /nfs/dbraw/zinc/26/15/86/572261586.db2.gz ONZWLMTZIJTKAC-IBGZPJMESA-N 0 0 513.392 3.638 40 0 KHABRN Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)c1 ZINC000408576872 572261539 /nfs/dbraw/zinc/26/15/39/572261539.db2.gz ONZWLMTZIJTKAC-LJQANCHMSA-N 0 0 513.392 3.638 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Cl)ccc21 ZINC000408576906 572261549 /nfs/dbraw/zinc/26/15/49/572261549.db2.gz HFTSNWGXVXYRTQ-UHFFFAOYSA-N 0 0 521.799 3.841 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)cc1C ZINC000408577438 572261932 /nfs/dbraw/zinc/26/19/32/572261932.db2.gz OSIAHHVXMGWOQR-IBGZPJMESA-N 0 0 513.392 3.638 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)cc1C ZINC000408577441 572261968 /nfs/dbraw/zinc/26/19/68/572261968.db2.gz OSIAHHVXMGWOQR-LJQANCHMSA-N 0 0 513.392 3.638 40 0 KHABRN COc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000408577506 572262067 /nfs/dbraw/zinc/26/20/67/572262067.db2.gz ILNAWMWTHVQANW-UHFFFAOYSA-N 0 0 520.929 3.671 40 0 KHABRN CNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Br)ccc21 ZINC000408577518 572262072 /nfs/dbraw/zinc/26/20/72/572262072.db2.gz PIPGWZJUNMFGHG-UHFFFAOYSA-N 0 0 508.170 3.543 40 0 KHABRN CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Br)ccc21 ZINC000408577572 572262172 /nfs/dbraw/zinc/26/21/72/572262172.db2.gz PSKMGIYENCXJKH-UHFFFAOYSA-N 0 0 522.197 3.933 40 0 KHABRN O=C(NC[C@@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Br)ccc21 ZINC000408577710 572262236 /nfs/dbraw/zinc/26/22/36/572262236.db2.gz QVWAUJSABSPKNX-KRWDZBQOSA-N 0 0 519.783 3.675 40 0 KHABRN O=C(NC[C@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2)cc2cc(Br)ccc21 ZINC000408577711 572262221 /nfs/dbraw/zinc/26/22/21/572262221.db2.gz QVWAUJSABSPKNX-QGZVFWFLSA-N 0 0 519.783 3.675 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Br)ccc21 ZINC000408577735 572262298 /nfs/dbraw/zinc/26/22/98/572262298.db2.gz JDTPSMYJXFZISJ-UHFFFAOYSA-N 0 0 566.250 3.950 40 0 KHABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Br)ccc21 ZINC000408577748 572262335 /nfs/dbraw/zinc/26/23/35/572262335.db2.gz JGDMRAHKMQESCQ-UHFFFAOYSA-N 0 0 552.223 3.560 40 0 KHABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408577946 572262563 /nfs/dbraw/zinc/26/25/63/572262563.db2.gz JPHYYCLIHHLJMU-FQEVSTJZSA-N 0 0 568.472 3.839 40 0 KHABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408577947 572262538 /nfs/dbraw/zinc/26/25/38/572262538.db2.gz JPHYYCLIHHLJMU-HXUWFJFHSA-N 0 0 568.472 3.839 40 0 KHABRN COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)C1 ZINC000408577983 572262573 /nfs/dbraw/zinc/26/25/73/572262573.db2.gz JTWDRKWOLWZLEC-GOSISDBHSA-N 0 0 532.435 3.589 40 0 KHABRN COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cc(Br)cc3C)cc2)C1 ZINC000408577987 572262557 /nfs/dbraw/zinc/26/25/57/572262557.db2.gz JTWDRKWOLWZLEC-SFHVURJKSA-N 0 0 532.435 3.589 40 0 KHABRN COc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000408577996 572262632 /nfs/dbraw/zinc/26/26/32/572262632.db2.gz JVULQUMTYZYUDZ-UHFFFAOYSA-N 0 0 565.380 3.780 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408578079 572262711 /nfs/dbraw/zinc/26/27/11/572262711.db2.gz KGFZWBPDULYRTH-KRWDZBQOSA-N 0 0 530.412 3.767 40 0 KHABRN O=C(NC[C@@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408578097 572262745 /nfs/dbraw/zinc/26/27/45/572262745.db2.gz SYGYFBGBELPBIX-KRWDZBQOSA-N 0 0 564.234 3.784 40 0 KHABRN O=C(NC[C@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408578098 572262713 /nfs/dbraw/zinc/26/27/13/572262713.db2.gz SYGYFBGBELPBIX-QGZVFWFLSA-N 0 0 564.234 3.784 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000408578106 572262709 /nfs/dbraw/zinc/26/27/09/572262709.db2.gz TYLRFOFXIGQHGP-KRWDZBQOSA-N 0 0 533.810 3.983 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000408578107 572262753 /nfs/dbraw/zinc/26/27/53/572262753.db2.gz TYLRFOFXIGQHGP-QGZVFWFLSA-N 0 0 533.810 3.983 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408578217 572262807 /nfs/dbraw/zinc/26/28/07/572262807.db2.gz KGFZWBPDULYRTH-QGZVFWFLSA-N 0 0 530.412 3.767 40 0 KHABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cc(Br)ccc21 ZINC000408578222 572262818 /nfs/dbraw/zinc/26/28/18/572262818.db2.gz KICLFZRHUKQJSR-UHFFFAOYSA-N 0 0 528.190 3.796 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2cccc(Cl)c2)cc2cc(Br)ccc21 ZINC000408578229 572262843 /nfs/dbraw/zinc/26/28/43/572262843.db2.gz KIOBQMNDVJBBDF-UHFFFAOYSA-N 0 0 507.772 3.532 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408578237 572262817 /nfs/dbraw/zinc/26/28/17/572262817.db2.gz KJNTYWMRWAGHRI-UHFFFAOYSA-N 0 0 552.223 3.641 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Cl)ccc21 ZINC000408578359 572262931 /nfs/dbraw/zinc/26/29/31/572262931.db2.gz KXLFOFKBJRGMHP-UHFFFAOYSA-N 0 0 507.772 3.532 40 0 KHABRN Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)c1C ZINC000408578436 572263043 /nfs/dbraw/zinc/26/30/43/572263043.db2.gz UOIMFALHTILVJI-GOSISDBHSA-N 0 0 513.392 3.638 40 0 KHABRN Cc1cccc(NC(=O)c2cc3cc(Br)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)c1C ZINC000408578437 572263038 /nfs/dbraw/zinc/26/30/38/572263038.db2.gz UOIMFALHTILVJI-SFHVURJKSA-N 0 0 513.392 3.638 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408578665 572263265 /nfs/dbraw/zinc/26/32/65/572263265.db2.gz LJTNYJIUUNDWBD-INIZCTEOSA-N 0 0 512.360 3.729 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NCc3ccco3)CC2=O)cc1)Nc1ccc(Br)cc1 ZINC000408578666 572263273 /nfs/dbraw/zinc/26/32/73/572263273.db2.gz LJTNYJIUUNDWBD-MRXNPFEDSA-N 0 0 512.360 3.729 40 0 KHABRN Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000408578950 572263463 /nfs/dbraw/zinc/26/34/63/572263463.db2.gz XHLUISLQXXHQKP-INIZCTEOSA-N 0 0 533.810 3.983 40 0 KHABRN Cc1c(Cl)cccc1NC(=O)c1cc2cc(Br)ccc2n1NC(=O)C(=O)NC[C@H]1CCCO1 ZINC000408578951 572263421 /nfs/dbraw/zinc/26/34/21/572263421.db2.gz XHLUISLQXXHQKP-MRXNPFEDSA-N 0 0 533.810 3.983 40 0 KHABRN CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Br)ccc21 ZINC000408578999 572263451 /nfs/dbraw/zinc/26/34/51/572263451.db2.gz YBJPKNGMBDOEHG-UHFFFAOYSA-N 0 0 508.170 3.625 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408579133 572263541 /nfs/dbraw/zinc/26/35/41/572263541.db2.gz MXIAJKFJYSGOIE-KRWDZBQOSA-N 0 0 530.412 3.767 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408579134 572263633 /nfs/dbraw/zinc/26/36/33/572263633.db2.gz MXIAJKFJYSGOIE-QGZVFWFLSA-N 0 0 530.412 3.767 40 0 KHABRN CCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Br)ccc21 ZINC000408579266 572263654 /nfs/dbraw/zinc/26/36/54/572263654.db2.gz YVSOZQDCHFDECJ-UHFFFAOYSA-N 0 0 522.197 3.933 40 0 KHABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccccc2F)cc2cc(Cl)ccc21 ZINC000408579438 572263759 /nfs/dbraw/zinc/26/37/59/572263759.db2.gz NKFLTAFYGNLLAM-UHFFFAOYSA-N 0 0 508.893 3.801 40 0 KHABRN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1 ZINC000408579457 572263749 /nfs/dbraw/zinc/26/37/49/572263749.db2.gz NPMMSYMHPIMWIA-JOCHJYFZSA-N 0 0 501.583 3.999 40 0 KHABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1 ZINC000408579458 572263745 /nfs/dbraw/zinc/26/37/45/572263745.db2.gz NPMMSYMHPIMWIA-QFIPXVFZSA-N 0 0 501.583 3.999 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Cl)ccc21 ZINC000408579476 572263833 /nfs/dbraw/zinc/26/38/33/572263833.db2.gz NUBMFFRFIKEVHR-UHFFFAOYSA-N 0 0 521.799 3.841 40 0 KHABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccccc4OC)CC3=O)cc2)cc1 ZINC000408579519 572263809 /nfs/dbraw/zinc/26/38/09/572263809.db2.gz OHJWPBCPZAJCST-NRFANRHFSA-N 0 0 517.582 3.781 40 0 KHABRN CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccccc4OC)CC3=O)cc2)cc1 ZINC000408579523 572263817 /nfs/dbraw/zinc/26/38/17/572263817.db2.gz OHJWPBCPZAJCST-OAQYLSRUSA-N 0 0 517.582 3.781 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000408579702 572263916 /nfs/dbraw/zinc/26/39/16/572263916.db2.gz OKEXOFRNYGWEPL-UHFFFAOYSA-N 0 0 504.930 3.971 40 0 KHABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408579731 572263881 /nfs/dbraw/zinc/26/38/81/572263881.db2.gz OOXIGLVKVVBCII-AVRDEDQJSA-N 0 0 544.446 3.732 40 0 KHABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408579733 572263938 /nfs/dbraw/zinc/26/39/38/572263938.db2.gz OOXIGLVKVVBCII-GCJKJVERSA-N 0 0 544.446 3.732 40 0 KHABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408579735 572263891 /nfs/dbraw/zinc/26/38/91/572263891.db2.gz OOXIGLVKVVBCII-PGRDOPGGSA-N 0 0 544.446 3.732 40 0 KHABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408579736 572263941 /nfs/dbraw/zinc/26/39/41/572263941.db2.gz OOXIGLVKVVBCII-XMSQKQJNSA-N 0 0 544.446 3.732 40 0 KHABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 ZINC000408580055 572263987 /nfs/dbraw/zinc/26/39/87/572263987.db2.gz PUCHGLBDYSIXLE-JOCHJYFZSA-N 0 0 501.583 3.944 40 0 KHABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCc3ccccc3OC)CC2=O)cc1 ZINC000408580057 572264015 /nfs/dbraw/zinc/26/40/15/572264015.db2.gz PUCHGLBDYSIXLE-QFIPXVFZSA-N 0 0 501.583 3.944 40 0 KHABRN Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)ccc1Br ZINC000408580407 572264140 /nfs/dbraw/zinc/26/41/40/572264140.db2.gz QMRYKMWGAQWSAU-IBGZPJMESA-N 0 0 554.445 3.531 40 0 KHABRN Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4ccnc4)CC3=O)cc2)ccc1Br ZINC000408580409 572264150 /nfs/dbraw/zinc/26/41/50/572264150.db2.gz QMRYKMWGAQWSAU-LJQANCHMSA-N 0 0 554.445 3.531 40 0 KHABRN Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC(C)C)CC3=O)cc2)ccc1Br ZINC000408580534 572264194 /nfs/dbraw/zinc/26/41/94/572264194.db2.gz REUJXVYCOBLOOA-KRWDZBQOSA-N 0 0 502.409 3.900 40 0 KHABRN Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC(C)C)CC3=O)cc2)ccc1Br ZINC000408580535 572264235 /nfs/dbraw/zinc/26/42/35/572264235.db2.gz REUJXVYCOBLOOA-QGZVFWFLSA-N 0 0 502.409 3.900 40 0 KHABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCc4ccccc4OC)CC3=O)cc2)cc1 ZINC000408580563 572264271 /nfs/dbraw/zinc/26/42/71/572264271.db2.gz RGRWCRFFYUALAJ-JOCHJYFZSA-N 0 0 501.583 3.944 40 0 KHABRN CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccccc4OC)CC3=O)cc2)cc1 ZINC000408580565 572264225 /nfs/dbraw/zinc/26/42/25/572264225.db2.gz RGRWCRFFYUALAJ-QFIPXVFZSA-N 0 0 501.583 3.944 40 0 KHABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Br)ccc21 ZINC000408580806 572264250 /nfs/dbraw/zinc/26/42/50/572264250.db2.gz RLKHXTBRQGPEMB-UHFFFAOYSA-N 0 0 552.223 3.560 40 0 KHABRN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2)cc1 ZINC000408580810 572264221 /nfs/dbraw/zinc/26/42/21/572264221.db2.gz RMSMAUYFFAIBRK-JOCHJYFZSA-N 0 0 501.583 3.944 40 0 KHABRN CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2)cc1 ZINC000408580813 572264244 /nfs/dbraw/zinc/26/42/44/572264244.db2.gz RMSMAUYFFAIBRK-QFIPXVFZSA-N 0 0 501.583 3.944 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408581282 572264401 /nfs/dbraw/zinc/26/44/01/572264401.db2.gz SEUZFBNTVRUBFV-BTYIYWSLSA-N 0 0 506.386 3.659 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408581284 572264395 /nfs/dbraw/zinc/26/43/95/572264395.db2.gz SEUZFBNTVRUBFV-QVKFZJNVSA-N 0 0 506.386 3.659 40 0 KHABRN O=C(COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408581286 572264407 /nfs/dbraw/zinc/26/44/07/572264407.db2.gz SEUZFBNTVRUBFV-VFNWGFHPSA-N 0 0 506.386 3.659 40 0 KHABRN O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408581289 572264421 /nfs/dbraw/zinc/26/44/21/572264421.db2.gz SEUZFBNTVRUBFV-YCRPNKLZSA-N 0 0 506.386 3.659 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408581333 572264413 /nfs/dbraw/zinc/26/44/13/572264413.db2.gz SKJXIYCWAXOUNW-AUSIDOKSSA-N 0 0 558.473 3.986 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408581337 572264378 /nfs/dbraw/zinc/26/43/78/572264378.db2.gz SKJXIYCWAXOUNW-CVDCTZTESA-N 0 0 558.473 3.986 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1 ZINC000408581340 572264392 /nfs/dbraw/zinc/26/43/92/572264392.db2.gz SKJXIYCWAXOUNW-WMZHIEFXSA-N 0 0 558.473 3.986 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1 ZINC000408581342 572264384 /nfs/dbraw/zinc/26/43/84/572264384.db2.gz SKJXIYCWAXOUNW-XXBNENTESA-N 0 0 558.473 3.986 40 0 KHABRN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)C1 ZINC000408581366 572264405 /nfs/dbraw/zinc/26/44/05/572264405.db2.gz SOLJJYZWHXORKI-JOCHJYFZSA-N 0 0 501.583 3.999 40 0 KHABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)C1 ZINC000408581367 572264374 /nfs/dbraw/zinc/26/43/74/572264374.db2.gz SOLJJYZWHXORKI-QFIPXVFZSA-N 0 0 501.583 3.999 40 0 KHABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccccc2)cc2cc(Br)ccc21 ZINC000408581371 572264412 /nfs/dbraw/zinc/26/44/12/572264412.db2.gz SPIOCLGXGPSBSM-UHFFFAOYSA-N 0 0 535.354 3.771 40 0 KHABRN O=C(NC[C@@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Cl)ccc21 ZINC000408581395 572264498 /nfs/dbraw/zinc/26/44/98/572264498.db2.gz SVFHVKXDBLNZKN-KRWDZBQOSA-N 0 0 519.783 3.675 40 0 KHABRN O=C(NC[C@H]1CCCO1)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Cl)ccc21 ZINC000408581396 572264472 /nfs/dbraw/zinc/26/44/72/572264472.db2.gz SVFHVKXDBLNZKN-QGZVFWFLSA-N 0 0 519.783 3.675 40 0 KHABRN Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000408581397 572264465 /nfs/dbraw/zinc/26/44/65/572264465.db2.gz SVOVDZYVHHRVPA-UHFFFAOYSA-N 0 0 504.930 3.971 40 0 KHABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408581746 572264495 /nfs/dbraw/zinc/26/44/95/572264495.db2.gz UEHPFWLBFUSKEQ-IBGZPJMESA-N 0 0 554.445 3.531 40 0 KHABRN Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3ccnc3)CC2=O)cc1 ZINC000408581747 572264573 /nfs/dbraw/zinc/26/45/73/572264573.db2.gz UEHPFWLBFUSKEQ-LJQANCHMSA-N 0 0 554.445 3.531 40 0 KHABRN CC(=O)Nc1cccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000408581752 572264578 /nfs/dbraw/zinc/26/45/78/572264578.db2.gz AHFQXBJGLHSQJL-JOCHJYFZSA-N 0 0 516.417 3.936 40 0 KHABRN CC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000408581755 572264562 /nfs/dbraw/zinc/26/45/62/572264562.db2.gz AHFQXBJGLHSQJL-QFIPXVFZSA-N 0 0 516.417 3.936 40 0 KHABRN COC(=O)c1cc(NC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc(C(=O)OC)c1 ZINC000408581844 572264580 /nfs/dbraw/zinc/26/45/80/572264580.db2.gz ARSUCTNILJDUAO-UHFFFAOYSA-N 0 0 510.568 3.940 40 0 KHABRN Cc1cc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1Br ZINC000408582074 572264746 /nfs/dbraw/zinc/26/47/46/572264746.db2.gz VKBGVHMLHAQPKH-KRWDZBQOSA-N 0 0 533.810 3.983 40 0 KHABRN Cc1cc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)ccc1Br ZINC000408582076 572264723 /nfs/dbraw/zinc/26/47/23/572264723.db2.gz VKBGVHMLHAQPKH-QGZVFWFLSA-N 0 0 533.810 3.983 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000408582083 572264738 /nfs/dbraw/zinc/26/47/38/572264738.db2.gz BKITVPXMFIWKSB-IBGZPJMESA-N 0 0 504.605 3.700 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 ZINC000408582086 572264754 /nfs/dbraw/zinc/26/47/54/572264754.db2.gz BKITVPXMFIWKSB-LJQANCHMSA-N 0 0 504.605 3.700 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)cc(C(=O)OC)c1 ZINC000408582175 572264755 /nfs/dbraw/zinc/26/47/55/572264755.db2.gz BUAWWTRUBAGTGQ-UHFFFAOYSA-N 0 0 550.948 3.871 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC[C@@H]2CCCO2)c(Br)c1 ZINC000408582194 572264736 /nfs/dbraw/zinc/26/47/36/572264736.db2.gz VVZLIONXLZIPBS-INIZCTEOSA-N 0 0 533.810 3.983 40 0 KHABRN Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NC[C@H]2CCCO2)c(Br)c1 ZINC000408582197 572264727 /nfs/dbraw/zinc/26/47/27/572264727.db2.gz VVZLIONXLZIPBS-MRXNPFEDSA-N 0 0 533.810 3.983 40 0 KHABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Br)ccc21 ZINC000408582260 572264815 /nfs/dbraw/zinc/26/48/15/572264815.db2.gz WECJKRSTRSQWJQ-UHFFFAOYSA-N 0 0 553.344 3.910 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)c(C)c2)cc2cc(Br)ccc21 ZINC000408582299 572264847 /nfs/dbraw/zinc/26/48/47/572264847.db2.gz WIURUJPFJFCHSZ-UHFFFAOYSA-N 0 0 566.250 3.950 40 0 KHABRN COC(=O)c1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc(C(=O)OC)c1 ZINC000408582346 572264848 /nfs/dbraw/zinc/26/48/48/572264848.db2.gz CMXDZJPKVHHCIS-CYBMUJFWSA-N 0 0 529.398 3.606 40 0 KHABRN COC(=O)c1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc(C(=O)OC)c1 ZINC000408582347 572264849 /nfs/dbraw/zinc/26/48/49/572264849.db2.gz CMXDZJPKVHHCIS-ZDUSSCGKSA-N 0 0 529.398 3.606 40 0 KHABRN Cc1ccccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 ZINC000408582458 572264871 /nfs/dbraw/zinc/26/48/71/572264871.db2.gz WQJZNFNHEWYNSZ-UHFFFAOYSA-N 0 0 504.930 3.971 40 0 KHABRN Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000408582582 572264949 /nfs/dbraw/zinc/26/49/49/572264949.db2.gz XEBFUPHZHQVJGL-KRWDZBQOSA-N 0 0 533.810 3.983 40 0 KHABRN Cc1cc(Br)ccc1NC(=O)c1cc2cc(Cl)ccc2n1NC(=O)C(=O)NC[C@H]1CCCO1 ZINC000408582584 572264968 /nfs/dbraw/zinc/26/49/68/572264968.db2.gz XEBFUPHZHQVJGL-QGZVFWFLSA-N 0 0 533.810 3.983 40 0 KHABRN COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1 ZINC000408582757 572265024 /nfs/dbraw/zinc/26/50/24/572265024.db2.gz XKDHIGUTBCCQAP-JOCHJYFZSA-N 0 0 501.583 3.999 40 0 KHABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1 ZINC000408582758 572265022 /nfs/dbraw/zinc/26/50/22/572265022.db2.gz XKDHIGUTBCCQAP-QFIPXVFZSA-N 0 0 501.583 3.999 40 0 KHABRN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000408582790 572265029 /nfs/dbraw/zinc/26/50/29/572265029.db2.gz XTWKXZDRPJLPBJ-IBGZPJMESA-N 0 0 501.539 3.736 40 0 KHABRN CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000408582791 572265058 /nfs/dbraw/zinc/26/50/58/572265058.db2.gz XTWKXZDRPJLPBJ-LJQANCHMSA-N 0 0 501.539 3.736 40 0 KHABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2cc(Br)ccc21 ZINC000408582827 572265080 /nfs/dbraw/zinc/26/50/80/572265080.db2.gz XZPWSDMOZIZUIT-UHFFFAOYSA-N 0 0 528.190 3.796 40 0 KHABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1OC ZINC000408582840 572265133 /nfs/dbraw/zinc/26/51/33/572265133.db2.gz FKIANQWTNZYNMP-NRFANRHFSA-N 0 0 526.655 3.741 40 0 KHABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1OC ZINC000408582843 572265157 /nfs/dbraw/zinc/26/51/57/572265157.db2.gz FKIANQWTNZYNMP-OAQYLSRUSA-N 0 0 526.655 3.741 40 0 KHABRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nn1c(C(=O)Nc2ccc(F)cc2)cc2cc(Cl)ccc21 ZINC000408582860 572265156 /nfs/dbraw/zinc/26/51/56/572265156.db2.gz YDOJALNRTBJVTI-UHFFFAOYSA-N 0 0 508.893 3.801 40 0 KHABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)cc2Br)cc2cc(Br)ccc21 ZINC000408583136 572265192 /nfs/dbraw/zinc/26/51/92/572265192.db2.gz ZAWHEYSVZRTTJA-UHFFFAOYSA-N 0 0 552.223 3.560 40 0 KHABRN CCOc1ccc(NC(=O)c2cc3cc(Cl)ccc3n2NC(=O)C(=O)NCCCOC(C)C)cc1 ZINC000408583172 572265312 /nfs/dbraw/zinc/26/53/12/572265312.db2.gz ZEZGNOQFHBJVQR-UHFFFAOYSA-N 0 0 500.983 3.947 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCOC)CC2=O)cc1 ZINC000408583192 572265311 /nfs/dbraw/zinc/26/53/11/572265311.db2.gz ZIFJSHIDPHZUNP-IBGZPJMESA-N 0 0 546.462 3.843 40 0 KHABRN CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCOC)CC2=O)cc1 ZINC000408583195 572265262 /nfs/dbraw/zinc/26/52/62/572265262.db2.gz ZIFJSHIDPHZUNP-LJQANCHMSA-N 0 0 546.462 3.843 40 0 KHABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1OC ZINC000408583226 572265298 /nfs/dbraw/zinc/26/52/98/572265298.db2.gz GOAPJKCCZWVPHZ-UHFFFAOYSA-N 0 0 504.649 3.833 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2C)cc2cc(Cl)ccc21 ZINC000408583384 572265372 /nfs/dbraw/zinc/26/53/72/572265372.db2.gz ZOWIMUWMDGAERN-UHFFFAOYSA-N 0 0 521.799 3.841 40 0 KHABRN COCCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2cc(Br)ccc21 ZINC000408583452 572265374 /nfs/dbraw/zinc/26/53/74/572265374.db2.gz ZUHHJAPGFSDUOH-UHFFFAOYSA-N 0 0 521.799 3.841 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc(C(=O)OC)c1 ZINC000408583574 572265450 /nfs/dbraw/zinc/26/54/50/572265450.db2.gz INCMLQZZSXJENJ-UHFFFAOYSA-N 0 0 562.984 3.740 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc(C(=O)OC)c1 ZINC000408583638 572265442 /nfs/dbraw/zinc/26/54/42/572265442.db2.gz IXDYSFHEVQIAPG-UHFFFAOYSA-N 0 0 577.409 3.841 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2C)cc(C(=O)OC)c1 ZINC000408583788 572265502 /nfs/dbraw/zinc/26/55/02/572265502.db2.gz KFAMSMHCBBFTDY-UHFFFAOYSA-N 0 0 526.567 3.695 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc(C(=O)OC)c1 ZINC000408583799 572265539 /nfs/dbraw/zinc/26/55/39/572265539.db2.gz KGPIFFHQQYGGSO-UHFFFAOYSA-N 0 0 539.006 3.542 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 ZINC000408584125 572265495 /nfs/dbraw/zinc/26/54/95/572265495.db2.gz LVMULNOKMDQUKN-UHFFFAOYSA-N 0 0 504.605 3.700 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cc(C(=O)OC)c1 ZINC000408584229 572265631 /nfs/dbraw/zinc/26/56/31/572265631.db2.gz NFEKLZHTMDVXFN-UHFFFAOYSA-N 0 0 558.996 3.682 40 0 KHABRN COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000408584269 572265624 /nfs/dbraw/zinc/26/56/24/572265624.db2.gz NRGTZYFLTOPYEG-UHFFFAOYSA-N 0 0 502.976 3.965 40 0 KHABRN COC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)OC)c1 ZINC000408584312 572265715 /nfs/dbraw/zinc/26/57/15/572265715.db2.gz NZXIBVVDNOXHOI-JOCHJYFZSA-N 0 0 575.437 3.551 40 0 KHABRN COC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc(C(=O)OC)c1 ZINC000408584313 572265687 /nfs/dbraw/zinc/26/56/87/572265687.db2.gz NZXIBVVDNOXHOI-QFIPXVFZSA-N 0 0 575.437 3.551 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2)cc(C(=O)OC)c1 ZINC000408584316 572265720 /nfs/dbraw/zinc/26/57/20/572265720.db2.gz OASUNTOSYSWJGU-UHFFFAOYSA-N 0 0 526.567 3.695 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc(C(=O)OC)c1 ZINC000408584324 572265718 /nfs/dbraw/zinc/26/57/18/572265718.db2.gz ODAUIECDJIPBQH-UHFFFAOYSA-N 0 0 526.567 3.695 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc(C(=O)OC)c1 ZINC000408584374 572265694 /nfs/dbraw/zinc/26/56/94/572265694.db2.gz OWDJYOFAHNLOJM-UHFFFAOYSA-N 0 0 532.958 3.732 40 0 KHABRN COC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408584448 572265686 /nfs/dbraw/zinc/26/56/86/572265686.db2.gz PVFJOUZLLFSOOY-NRFANRHFSA-N 0 0 517.401 3.764 40 0 KHABRN COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408584449 572265793 /nfs/dbraw/zinc/26/57/93/572265793.db2.gz PVFJOUZLLFSOOY-OAQYLSRUSA-N 0 0 517.401 3.764 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000408584461 572265767 /nfs/dbraw/zinc/26/57/67/572265767.db2.gz PZMWXYWYESIHSU-HNNXBMFYSA-N 0 0 502.976 3.894 40 0 KHABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC ZINC000408584462 572265810 /nfs/dbraw/zinc/26/58/10/572265810.db2.gz PZMWXYWYESIHSU-OAHLLOKOSA-N 0 0 502.976 3.894 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408584501 572265803 /nfs/dbraw/zinc/26/58/03/572265803.db2.gz QOSBNJKZABAFNZ-IBGZPJMESA-N 0 0 504.605 3.700 40 0 KHABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 ZINC000408584502 572265771 /nfs/dbraw/zinc/26/57/71/572265771.db2.gz QOSBNJKZABAFNZ-LJQANCHMSA-N 0 0 504.605 3.700 40 0 KHABRN COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2Cl)cc(C(=O)OC)c1 ZINC000408584606 572265830 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COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000408590414 572267727 /nfs/dbraw/zinc/26/77/27/572267727.db2.gz HDIWHHNMBPOMKZ-HXUWFJFHSA-N 0 0 528.074 3.949 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000408590420 572267661 /nfs/dbraw/zinc/26/76/61/572267661.db2.gz HEFLBQUYDQHGKM-UHFFFAOYSA-N 0 0 528.583 3.926 40 0 KHABRN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408590575 572267751 /nfs/dbraw/zinc/26/77/51/572267751.db2.gz HWHFEKDMRKWHEW-HSZRJFAPSA-N 0 0 514.047 3.587 40 0 KHABRN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000408590578 572267811 /nfs/dbraw/zinc/26/78/11/572267811.db2.gz HWHFEKDMRKWHEW-QHCPKHFHSA-N 0 0 514.047 3.587 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000408591101 572267989 /nfs/dbraw/zinc/26/79/89/572267989.db2.gz ITWBQMTYQOYHJH-UHFFFAOYSA-N 0 0 514.556 3.617 40 0 KHABRN CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408591561 572268222 /nfs/dbraw/zinc/26/82/22/572268222.db2.gz JOSRLECRYSBNRN-UHFFFAOYSA-N 0 0 544.457 3.806 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000408591613 572268325 /nfs/dbraw/zinc/26/83/25/572268325.db2.gz JSDWWRYEYWTVIY-UHFFFAOYSA-N 0 0 506.068 3.715 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408591621 572268399 /nfs/dbraw/zinc/26/83/99/572268399.db2.gz JTEWZHKUURUZRU-UHFFFAOYSA-N 0 0 533.572 3.912 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000408591752 572268361 /nfs/dbraw/zinc/26/83/61/572268361.db2.gz JIUJCJXFJRRSQK-UHFFFAOYSA-N 0 0 526.611 3.583 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1Cl ZINC000408592147 572268516 /nfs/dbraw/zinc/26/85/16/572268516.db2.gz KGNYNMDKMZLOOJ-FSNDINTDSA-N 0 0 518.079 3.607 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1Cl ZINC000408592151 572268416 /nfs/dbraw/zinc/26/84/16/572268416.db2.gz KGNYNMDKMZLOOJ-XPUAEESYSA-N 0 0 518.079 3.607 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408592183 572268496 /nfs/dbraw/zinc/26/84/96/572268496.db2.gz KKUOJTXEGILUAT-RMKNXTFCSA-N 0 0 517.651 3.674 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)cc1Cl ZINC000408592208 572268434 /nfs/dbraw/zinc/26/84/34/572268434.db2.gz KQLYPKRIBGMXBN-UHFFFAOYSA-N 0 0 510.031 3.627 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1 ZINC000408592214 572268569 /nfs/dbraw/zinc/26/85/69/572268569.db2.gz KSPBAFWYJVKFMK-UHFFFAOYSA-N 0 0 525.593 3.854 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408592217 572268613 /nfs/dbraw/zinc/26/86/13/572268613.db2.gz KSYVSERLUZTYSB-KRWDZBQOSA-N 0 0 528.583 3.547 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408592218 572268567 /nfs/dbraw/zinc/26/85/67/572268567.db2.gz KSYVSERLUZTYSB-QGZVFWFLSA-N 0 0 528.583 3.547 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408592249 572268585 /nfs/dbraw/zinc/26/85/85/572268585.db2.gz JPLKBACKRALHMI-NRFANRHFSA-N 0 0 577.453 3.781 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408592253 572268583 /nfs/dbraw/zinc/26/85/83/572268583.db2.gz JPLKBACKRALHMI-OAQYLSRUSA-N 0 0 577.453 3.781 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(Cl)c2)cc1 ZINC000408592255 572268535 /nfs/dbraw/zinc/26/85/35/572268535.db2.gz KWATVKYVRWNXBW-UHFFFAOYSA-N 0 0 558.056 3.901 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C1 ZINC000408592266 572268584 /nfs/dbraw/zinc/26/85/84/572268584.db2.gz KWUMEURZTUPHQG-FQEVSTJZSA-N 0 0 506.068 3.715 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)C1 ZINC000408592268 572268554 /nfs/dbraw/zinc/26/85/54/572268554.db2.gz KWUMEURZTUPHQG-HXUWFJFHSA-N 0 0 506.068 3.715 40 0 KHABRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408592319 572268532 /nfs/dbraw/zinc/26/85/32/572268532.db2.gz LBPGYDUTFRYGFF-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN O=C(Nc1ccc2c(c1)OCCO2)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408592360 572268592 /nfs/dbraw/zinc/26/85/92/572268592.db2.gz KAJQDOAUCUMKJX-FQEVSTJZSA-N 0 0 517.401 3.749 40 0 KHABRN O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408592364 572268632 /nfs/dbraw/zinc/26/86/32/572268632.db2.gz KAJQDOAUCUMKJX-HXUWFJFHSA-N 0 0 517.401 3.749 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000408592419 572268713 /nfs/dbraw/zinc/26/87/13/572268713.db2.gz KHDBNKMMIQJCPY-UHFFFAOYSA-N 0 0 504.605 3.673 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1Cl ZINC000408592686 572268664 /nfs/dbraw/zinc/26/86/64/572268664.db2.gz LICBWIVKHGEZQE-VMPITWQZSA-N 0 0 518.079 3.607 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408592783 572268839 /nfs/dbraw/zinc/26/88/39/572268839.db2.gz LSQJYQQYDRUKFI-UHFFFAOYSA-N 0 0 528.583 3.926 40 0 KHABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000408592795 572268792 /nfs/dbraw/zinc/26/87/92/572268792.db2.gz LTHJIAREZLISDW-VMPITWQZSA-N 0 0 518.079 3.607 40 0 KHABRN Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCc4ccccc4)cc3C)CC2)c1C ZINC000408592825 572268806 /nfs/dbraw/zinc/26/88/06/572268806.db2.gz LZSLDWGWZVRBEB-UHFFFAOYSA-N 0 0 507.656 3.818 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1 ZINC000408592864 572268767 /nfs/dbraw/zinc/26/87/67/572268767.db2.gz MEJUNPXMKZOILY-IBGZPJMESA-N 0 0 525.593 3.854 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1 ZINC000408592868 572268776 /nfs/dbraw/zinc/26/87/76/572268776.db2.gz MEJUNPXMKZOILY-LJQANCHMSA-N 0 0 525.593 3.854 40 0 KHABRN Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408592942 572268912 /nfs/dbraw/zinc/26/89/12/572268912.db2.gz MJSBKZZFPAVZOV-UHFFFAOYSA-N 0 0 511.566 3.526 40 0 KHABRN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)cc2)cc1 ZINC000408593194 572269079 /nfs/dbraw/zinc/26/90/79/572269079.db2.gz MXYVZCWWULXXOV-UHFFFAOYSA-N 0 0 544.582 3.707 40 0 KHABRN COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408593342 572269087 /nfs/dbraw/zinc/26/90/87/572269087.db2.gz NHODOJQIIYSODI-UHFFFAOYSA-N 0 0 509.628 3.556 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl ZINC000408593387 572269212 /nfs/dbraw/zinc/26/92/12/572269212.db2.gz NMDMTCARQVPKLM-UHFFFAOYSA-N 0 0 549.001 3.640 40 0 KHABRN Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)c1C ZINC000408593407 572269208 /nfs/dbraw/zinc/26/92/08/572269208.db2.gz NNPXGQLMRMFLFV-UHFFFAOYSA-N 0 0 520.493 3.815 40 0 KHABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408593409 572269199 /nfs/dbraw/zinc/26/91/99/572269199.db2.gz NOCICZYRTDYFHT-OIHWHRODSA-N 0 0 532.504 3.707 40 0 KHABRN O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408593413 572269204 /nfs/dbraw/zinc/26/92/04/572269204.db2.gz NOCICZYRTDYFHT-YKNILIKBSA-N 0 0 532.504 3.707 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1C ZINC000408593446 572269202 /nfs/dbraw/zinc/26/92/02/572269202.db2.gz NRGZAYWWHDHFAZ-JEVDYFGZSA-N 0 0 511.688 3.652 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1C ZINC000408593448 572269223 /nfs/dbraw/zinc/26/92/23/572269223.db2.gz NRGZAYWWHDHFAZ-XIHLAWMYSA-N 0 0 511.688 3.652 40 0 KHABRN COc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408593823 572269323 /nfs/dbraw/zinc/26/93/23/572269323.db2.gz NPWLHOCLQRKKNW-HSZRJFAPSA-N 0 0 558.498 3.696 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1C ZINC000408593824 572269341 /nfs/dbraw/zinc/26/93/41/572269341.db2.gz OKKYWHDRUVWYLT-IBGZPJMESA-N 0 0 525.593 3.772 40 0 KHABRN COc1ccccc1N1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408593825 572269342 /nfs/dbraw/zinc/26/93/42/572269342.db2.gz NPWLHOCLQRKKNW-QHCPKHFHSA-N 0 0 558.498 3.696 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cc1C ZINC000408593826 572269303 /nfs/dbraw/zinc/26/93/03/572269303.db2.gz OKKYWHDRUVWYLT-LJQANCHMSA-N 0 0 525.593 3.772 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408593866 572269380 /nfs/dbraw/zinc/26/93/80/572269380.db2.gz ORYZJXVFIPRXFQ-UHFFFAOYSA-N 0 0 500.573 3.863 40 0 KHABRN O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408593888 572269452 /nfs/dbraw/zinc/26/94/52/572269452.db2.gz OUAHSCSXGSISOD-QPJJXVBHSA-N 0 0 532.504 3.707 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1C ZINC000408593896 572269381 /nfs/dbraw/zinc/26/93/81/572269381.db2.gz OVHSQRDZXVFDPW-UHFFFAOYSA-N 0 0 525.593 3.772 40 0 KHABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)cc1OC ZINC000408593902 572269422 /nfs/dbraw/zinc/26/94/22/572269422.db2.gz OVUIIHMPRBVDJI-UHFFFAOYSA-N 0 0 607.651 3.971 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000408593936 572269385 /nfs/dbraw/zinc/26/93/85/572269385.db2.gz QRSVMOLKVJEWRM-UHFFFAOYSA-N 0 0 521.517 3.955 40 0 KHABRN CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2Cl)CC1 ZINC000408593950 572269420 /nfs/dbraw/zinc/26/94/20/572269420.db2.gz QUKCPFBJYBVWSN-UHFFFAOYSA-N 0 0 521.035 3.662 40 0 KHABRN 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COc1ccc(OC)c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000408594266 572269616 /nfs/dbraw/zinc/26/96/16/572269616.db2.gz OFZJVZTZRBLQNI-OAQYLSRUSA-N 0 0 519.417 3.995 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1C ZINC000408594272 572269597 /nfs/dbraw/zinc/26/95/97/572269597.db2.gz PMDYOVVMWUCGLO-JXMROGBWSA-N 0 0 511.688 3.652 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000408594290 572269651 /nfs/dbraw/zinc/26/96/51/572269651.db2.gz POWOETQWFPHQGF-UHFFFAOYSA-N 0 0 512.584 3.683 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408594292 572269641 /nfs/dbraw/zinc/26/96/41/572269641.db2.gz PPRJRFXQJJMUFB-CYBMUJFWSA-N 0 0 531.414 3.837 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408594295 572269576 /nfs/dbraw/zinc/26/95/76/572269576.db2.gz PPRJRFXQJJMUFB-ZDUSSCGKSA-N 0 0 531.414 3.837 40 0 KHABRN 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CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408594713 572269895 /nfs/dbraw/zinc/26/98/95/572269895.db2.gz AHCAZOYCQJRVRG-JOCHJYFZSA-N 0 0 525.631 3.951 40 0 KHABRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408594714 572269882 /nfs/dbraw/zinc/26/98/82/572269882.db2.gz AHCAZOYCQJRVRG-QFIPXVFZSA-N 0 0 525.631 3.951 40 0 KHABRN O=C(Nc1ccc(I)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408594762 572269863 /nfs/dbraw/zinc/26/98/63/572269863.db2.gz PBZKNDWBQHNHEP-FQEVSTJZSA-N 0 0 506.365 3.820 40 0 KHABRN O=C(Nc1ccc(I)cc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408594763 572269896 /nfs/dbraw/zinc/26/98/96/572269896.db2.gz PBZKNDWBQHNHEP-HXUWFJFHSA-N 0 0 506.365 3.820 40 0 KHABRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408594886 572269992 /nfs/dbraw/zinc/26/99/92/572269992.db2.gz CWSXAEYWVBHKOW-JOCHJYFZSA-N 0 0 525.631 3.951 40 0 KHABRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C ZINC000408594887 572269970 /nfs/dbraw/zinc/26/99/70/572269970.db2.gz CWSXAEYWVBHKOW-QFIPXVFZSA-N 0 0 525.631 3.951 40 0 KHABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)CC2)cc1Cl ZINC000408594917 572269927 /nfs/dbraw/zinc/26/99/27/572269927.db2.gz RELIRUUUGFXTAF-UHFFFAOYSA-N 0 0 541.022 3.582 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408594969 572270047 /nfs/dbraw/zinc/27/00/47/572270047.db2.gz QCGKEWYBYUVCOY-UHFFFAOYSA-N 0 0 512.584 3.540 40 0 KHABRN CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 ZINC000408594986 572270066 /nfs/dbraw/zinc/27/00/66/572270066.db2.gz RNEFFSJCVDZEOF-UHFFFAOYSA-N 0 0 519.973 3.775 40 0 KHABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1Cl ZINC000408595000 572270053 /nfs/dbraw/zinc/27/00/53/572270053.db2.gz RPGHKVVEMJGKBE-UHFFFAOYSA-N 0 0 506.068 3.715 40 0 KHABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(OC)cc3)n2CC)c1 ZINC000408595054 572270081 /nfs/dbraw/zinc/27/00/81/572270081.db2.gz GESBCSVXXALGIF-INIZCTEOSA-N 0 0 511.604 3.705 40 0 KHABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(OC)cc3)n2CC)c1 ZINC000408595058 572270068 /nfs/dbraw/zinc/27/00/68/572270068.db2.gz GESBCSVXXALGIF-MRXNPFEDSA-N 0 0 511.604 3.705 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408595205 572270231 /nfs/dbraw/zinc/27/02/31/572270231.db2.gz UHIWBWXOYKWVNG-UHFFFAOYSA-N 0 0 562.019 3.732 40 0 KHABRN Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(Br)ccc1Br ZINC000408595325 572270341 /nfs/dbraw/zinc/27/03/41/572270341.db2.gz HFLGWEHCAADADK-UHFFFAOYSA-N 0 0 529.214 3.594 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(OC)cc3)n2CC)cc1 ZINC000408595348 572270335 /nfs/dbraw/zinc/27/03/35/572270335.db2.gz IEGYBLWFKSWADZ-INIZCTEOSA-N 0 0 511.604 3.705 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(OC)cc3)n2CC)cc1 ZINC000408595349 572270340 /nfs/dbraw/zinc/27/03/40/572270340.db2.gz IEGYBLWFKSWADZ-MRXNPFEDSA-N 0 0 511.604 3.705 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)Cc3ccc(OC)cc3)n2CC)cc1 ZINC000408595354 572270317 /nfs/dbraw/zinc/27/03/17/572270317.db2.gz IFMUDIBCDYNVTO-KRWDZBQOSA-N 0 0 525.631 3.634 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)Cc3ccc(OC)cc3)n2CC)cc1 ZINC000408595356 572270294 /nfs/dbraw/zinc/27/02/94/572270294.db2.gz IFMUDIBCDYNVTO-QGZVFWFLSA-N 0 0 525.631 3.634 40 0 KHABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3Br)n2CC)c1 ZINC000408595379 572270338 /nfs/dbraw/zinc/27/03/38/572270338.db2.gz ILWGRNCSXQPIBZ-UHFFFAOYSA-N 0 0 546.447 3.898 40 0 KHABRN COc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408595416 572270325 /nfs/dbraw/zinc/27/03/25/572270325.db2.gz RSXWRASWQOWRCZ-UHFFFAOYSA-N 0 0 500.573 3.863 40 0 KHABRN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000408595511 572270442 /nfs/dbraw/zinc/27/04/42/572270442.db2.gz QPBAKQZYZFLETF-NRFANRHFSA-N 0 0 519.417 3.995 40 0 KHABRN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000408595513 572270413 /nfs/dbraw/zinc/27/04/13/572270413.db2.gz QPBAKQZYZFLETF-OAQYLSRUSA-N 0 0 519.417 3.995 40 0 KHABRN O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000408595537 572270407 /nfs/dbraw/zinc/27/04/07/572270407.db2.gz SDKYROVJZAMLFL-HSZRJFAPSA-N 0 0 502.011 3.718 40 0 KHABRN O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000408595542 572270438 /nfs/dbraw/zinc/27/04/38/572270438.db2.gz SDKYROVJZAMLFL-QHCPKHFHSA-N 0 0 502.011 3.718 40 0 KHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 ZINC000408595555 572270375 /nfs/dbraw/zinc/27/03/75/572270375.db2.gz SEZMZCRNWMZGTP-UHFFFAOYSA-N 0 0 528.583 3.926 40 0 KHABRN Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)CC2)c1C ZINC000408595608 572270415 /nfs/dbraw/zinc/27/04/15/572270415.db2.gz SJGCJDGRBXSVMZ-UHFFFAOYSA-N 0 0 507.656 3.852 40 0 KHABRN COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408595656 572270474 /nfs/dbraw/zinc/27/04/74/572270474.db2.gz SMFQZIOIEKTKOT-UHFFFAOYSA-N 0 0 527.618 3.695 40 0 KHABRN Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408595695 572270545 /nfs/dbraw/zinc/27/05/45/572270545.db2.gz SQNNFXNFBSPACS-MDWZMJQESA-N 0 0 519.667 3.710 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000408595875 572270472 /nfs/dbraw/zinc/27/04/72/572270472.db2.gz VTYIYBBLHFBJBM-UHFFFAOYSA-N 0 0 557.572 3.504 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3ccc(OC)cc3)C(C)C)n2C)cc1 ZINC000408595981 572270599 /nfs/dbraw/zinc/27/05/99/572270599.db2.gz LFHDEZAFDMUKOP-JOCHJYFZSA-N 0 0 525.631 3.858 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3ccc(OC)cc3)C(C)C)n2C)cc1 ZINC000408595984 572270621 /nfs/dbraw/zinc/27/06/21/572270621.db2.gz LFHDEZAFDMUKOP-QFIPXVFZSA-N 0 0 525.631 3.858 40 0 KHABRN CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000408596011 572270592 /nfs/dbraw/zinc/27/05/92/572270592.db2.gz MFLOUELZHJJFRW-UHFFFAOYSA-N 0 0 532.420 3.508 40 0 KHABRN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cc(Br)ccc3Br)n2C)cc1 ZINC000408596033 572270646 /nfs/dbraw/zinc/27/06/46/572270646.db2.gz MQGILVGNNYCSJC-UHFFFAOYSA-N 0 0 583.306 3.938 40 0 KHABRN CCN1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408596148 572270708 /nfs/dbraw/zinc/27/07/08/572270708.db2.gz SYQJRCKFPJDSAS-UHFFFAOYSA-N 0 0 500.448 3.670 40 0 KHABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](C)NC(=O)Cc3ccc(OC)cc3)n2CC)c1 ZINC000408596188 572270714 /nfs/dbraw/zinc/27/07/14/572270714.db2.gz PVCCWMKAYMBPCX-KRWDZBQOSA-N 0 0 525.631 3.634 40 0 KHABRN CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)Cc3ccc(OC)cc3)n2CC)c1 ZINC000408596193 572270743 /nfs/dbraw/zinc/27/07/43/572270743.db2.gz PVCCWMKAYMBPCX-QGZVFWFLSA-N 0 0 525.631 3.634 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408596373 572270858 /nfs/dbraw/zinc/27/08/58/572270858.db2.gz UMVGYNPJXKENSF-VMPITWQZSA-N 0 0 521.639 3.732 40 0 KHABRN COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1OC ZINC000408596419 572270831 /nfs/dbraw/zinc/27/08/31/572270831.db2.gz UVOUCMUHDBRTRW-UHFFFAOYSA-N 0 0 567.708 3.569 40 0 KHABRN O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408596562 572270969 /nfs/dbraw/zinc/27/09/69/572270969.db2.gz WSICXTOUDRPWQP-UHFFFAOYSA-N 0 0 584.094 3.933 40 0 KHABRN COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408596611 572271113 /nfs/dbraw/zinc/27/11/13/572271113.db2.gz XDEXSDNXDUJROZ-UHFFFAOYSA-N 0 0 502.976 3.513 40 0 KHABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000408596647 572271104 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KHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000408712311 1066554655 /nfs/dbraw/zinc/55/46/55/1066554655.db2.gz LBRMBIUFHXKCAK-UHFFFAOYSA-N 0 0 532.084 3.564 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712587 1066554603 /nfs/dbraw/zinc/55/46/03/1066554603.db2.gz XSSXPUQLSCTTEP-INIZCTEOSA-N 0 0 538.047 3.943 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712588 1066554500 /nfs/dbraw/zinc/55/45/00/1066554500.db2.gz XSSXPUQLSCTTEP-MRXNPFEDSA-N 0 0 538.047 3.943 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408712914 1066554365 /nfs/dbraw/zinc/55/43/65/1066554365.db2.gz BDWUGFMXLHMXQG-UHFFFAOYSA-N 0 0 503.930 3.788 40 0 KHABRN O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000408713423 1066554561 /nfs/dbraw/zinc/55/45/61/1066554561.db2.gz YEWFVMAWMCTMKE-UHFFFAOYSA-N 0 0 507.612 3.695 40 0 KHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000408713502 1066554545 /nfs/dbraw/zinc/55/45/45/1066554545.db2.gz DBKPRCAXWQYFTB-GOSISDBHSA-N 0 0 510.031 3.546 40 0 KHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000408713503 1066554699 /nfs/dbraw/zinc/55/46/99/1066554699.db2.gz DBKPRCAXWQYFTB-SFHVURJKSA-N 0 0 510.031 3.546 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713512 1066554299 /nfs/dbraw/zinc/55/42/99/1066554299.db2.gz DRSZIGVEPGWTOO-UHFFFAOYSA-N 0 0 507.656 3.795 40 0 KHABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408713638 1066554664 /nfs/dbraw/zinc/55/46/64/1066554664.db2.gz VWBRBCOQBMQVME-AREMUKBSSA-N 0 0 547.677 3.617 40 0 KHABRN COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000408713639 1066554469 /nfs/dbraw/zinc/55/44/69/1066554469.db2.gz VWBRBCOQBMQVME-SANMLTNESA-N 0 0 547.677 3.617 40 0 KHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000408713672 1066554437 /nfs/dbraw/zinc/55/44/37/1066554437.db2.gz KIEPPDUWXFHDKY-UHFFFAOYSA-N 0 0 529.556 3.603 40 0 KHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000408713704 1066554625 /nfs/dbraw/zinc/55/46/25/1066554625.db2.gz OPJRWXKRMHVPAD-KRWDZBQOSA-N 0 0 529.556 3.603 40 0 KHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000408713705 1066554415 /nfs/dbraw/zinc/55/44/15/1066554415.db2.gz OPJRWXKRMHVPAD-QGZVFWFLSA-N 0 0 529.556 3.603 40 0 KHABRN COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000408713720 1066554573 /nfs/dbraw/zinc/55/45/73/1066554573.db2.gz PYKGLBYROWFBBX-UHFFFAOYSA-N 0 0 510.031 3.546 40 0 KHABRN COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713766 1066554012 /nfs/dbraw/zinc/55/40/12/1066554012.db2.gz UOBMQRXDSUPTGA-UHFFFAOYSA-N 0 0 514.047 3.832 40 0 KHABRN CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(I)cc2)c(Cl)c1 ZINC000408713782 1066554003 /nfs/dbraw/zinc/55/40/03/1066554003.db2.gz WTXQWCUJTKLIRI-UHFFFAOYSA-N 0 0 522.792 3.993 40 0 KHABRN COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713799 1066553880 /nfs/dbraw/zinc/55/38/80/1066553880.db2.gz XTWOASJWLNVJGL-MDWZMJQESA-N 0 0 519.667 3.687 40 0 KHABRN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000408713865 1066553869 /nfs/dbraw/zinc/55/38/69/1066553869.db2.gz BJGGYQKJZVNNJE-AREMUKBSSA-N 0 0 531.590 3.946 40 0 KHABRN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000408713866 1066553959 /nfs/dbraw/zinc/55/39/59/1066553959.db2.gz BJGGYQKJZVNNJE-SANMLTNESA-N 0 0 531.590 3.946 40 0 KHABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408713888 1066554687 /nfs/dbraw/zinc/55/46/87/1066554687.db2.gz CAMCYOMARAEXDJ-FQEVSTJZSA-N 0 0 554.496 3.608 40 0 KHABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408713889 1066554528 /nfs/dbraw/zinc/55/45/28/1066554528.db2.gz CAMCYOMARAEXDJ-HXUWFJFHSA-N 0 0 554.496 3.608 40 0 KHABRN O=C(C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714041 1066554044 /nfs/dbraw/zinc/55/40/44/1066554044.db2.gz HGIZDIHZSBRHTH-UHFFFAOYSA-N 0 0 554.496 3.608 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000408714095 1066553842 /nfs/dbraw/zinc/55/38/42/1066553842.db2.gz INOZLFPKZLKFAP-UHFFFAOYSA-N 0 0 560.525 3.958 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000408714096 1066553950 /nfs/dbraw/zinc/55/39/50/1066553950.db2.gz IQONCCUBGPUGEJ-KRWDZBQOSA-N 0 0 560.525 3.958 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000408714097 1066554055 /nfs/dbraw/zinc/55/40/55/1066554055.db2.gz IQONCCUBGPUGEJ-QGZVFWFLSA-N 0 0 560.525 3.958 40 0 KHABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714105 1066553919 /nfs/dbraw/zinc/55/39/19/1066553919.db2.gz IUKXGDWZTGGHNW-IBGZPJMESA-N 0 0 554.496 3.608 40 0 KHABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714106 1066553796 /nfs/dbraw/zinc/55/37/96/1066553796.db2.gz IUKXGDWZTGGHNW-LJQANCHMSA-N 0 0 554.496 3.608 40 0 KHABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714250 1066553906 /nfs/dbraw/zinc/55/39/06/1066553906.db2.gz MDVCIUQFPBUHGZ-UHFFFAOYSA-N 0 0 554.496 3.608 40 0 KHABRN O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714287 1066554063 /nfs/dbraw/zinc/55/40/63/1066554063.db2.gz NBDOEKHEXWNBFH-UHFFFAOYSA-N 0 0 554.496 3.608 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000408714330 1066553830 /nfs/dbraw/zinc/55/38/30/1066553830.db2.gz OMYIKDMZMUGHHF-KRWDZBQOSA-N 0 0 560.525 3.958 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000408714331 1066553990 /nfs/dbraw/zinc/55/39/90/1066553990.db2.gz OMYIKDMZMUGHHF-QGZVFWFLSA-N 0 0 560.525 3.958 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000408714432 1066553395 /nfs/dbraw/zinc/55/33/95/1066553395.db2.gz QOVMUKWETBQYHN-UHFFFAOYSA-N 0 0 547.743 3.864 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000408714476 1066553512 /nfs/dbraw/zinc/55/35/12/1066553512.db2.gz RMCPJYQLISHWGT-AREMUKBSSA-N 0 0 555.678 3.597 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000408714477 1066553358 /nfs/dbraw/zinc/55/33/58/1066553358.db2.gz RMCPJYQLISHWGT-SANMLTNESA-N 0 0 555.678 3.597 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000408714483 1066553792 /nfs/dbraw/zinc/55/37/92/1066553792.db2.gz RTKQGJXEYIAOGX-HHHXNRCGSA-N 0 0 569.705 3.987 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000408714484 1066553856 /nfs/dbraw/zinc/55/38/56/1066553856.db2.gz RTKQGJXEYIAOGX-MHZLTWQESA-N 0 0 569.705 3.987 40 0 KHABRN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714526 1066553405 /nfs/dbraw/zinc/55/34/05/1066553405.db2.gz APFVBHUQZKLWBO-UHFFFAOYSA-N 0 0 537.729 3.866 40 0 KHABRN CSc1ccc(S(=O)(=O)Nc2ccc(I)cc2C)cc1C(=O)N1CCOCC1 ZINC000408714529 1066553453 /nfs/dbraw/zinc/55/34/53/1066553453.db2.gz AXEZITDPMUCXMJ-UHFFFAOYSA-N 0 0 532.425 3.595 40 0 KHABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714532 1066553345 /nfs/dbraw/zinc/55/33/45/1066553345.db2.gz AYDQKGMLYQFHLU-CLOONOSVSA-N 0 0 556.040 3.844 40 0 KHABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714533 1066553531 /nfs/dbraw/zinc/55/35/31/1066553531.db2.gz AYDQKGMLYQFHLU-DFBJGRDBSA-N 0 0 556.040 3.844 40 0 KHABRN O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714534 1066553522 /nfs/dbraw/zinc/55/35/22/1066553522.db2.gz AYDQKGMLYQFHLU-KBMIEXCESA-N 0 0 556.040 3.844 40 0 KHABRN O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714535 1066553384 /nfs/dbraw/zinc/55/33/84/1066553384.db2.gz AYDQKGMLYQFHLU-UQBPGWFLSA-N 0 0 556.040 3.844 40 0 KHABRN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408714739 1066553427 /nfs/dbraw/zinc/55/34/27/1066553427.db2.gz MPQMSVUSIVFZEL-UHFFFAOYSA-N 0 0 561.707 3.791 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714741 1066553332 /nfs/dbraw/zinc/55/33/32/1066553332.db2.gz MSYBAJVEBVNBJX-DEOSSOPVSA-N 0 0 562.069 3.720 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000408714742 1066553285 /nfs/dbraw/zinc/55/32/85/1066553285.db2.gz MSYBAJVEBVNBJX-XMMPIXPASA-N 0 0 562.069 3.720 40 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O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000408714872 1066552873 /nfs/dbraw/zinc/55/28/73/1066552873.db2.gz XYQUWPLBXNMPHF-GOSISDBHSA-N 0 0 560.525 3.958 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000408714873 1066553421 /nfs/dbraw/zinc/55/34/21/1066553421.db2.gz XYQUWPLBXNMPHF-SFHVURJKSA-N 0 0 560.525 3.958 40 0 KHABRN O=C([C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714875 1066553239 /nfs/dbraw/zinc/55/32/39/1066553239.db2.gz XZSOGWJUAUWTNR-IBGZPJMESA-N 0 0 554.496 3.608 40 0 KHABRN O=C([C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408714877 1066553541 /nfs/dbraw/zinc/55/35/41/1066553541.db2.gz XZSOGWJUAUWTNR-LJQANCHMSA-N 0 0 554.496 3.608 40 0 KHABRN CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCOCC1 ZINC000408714995 1066552926 /nfs/dbraw/zinc/55/29/26/1066552926.db2.gz URZQJBVDXWNBAJ-UHFFFAOYSA-N 0 0 561.707 3.791 40 0 KHABRN 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KHABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(OC)cc3)sc2=N[C@H]1c1ccc(Br)cc1 ZINC000408728998 1066561488 /nfs/dbraw/zinc/56/14/88/1066561488.db2.gz ADMLVXCBDFSCDI-FNGUVFISSA-N 0 0 513.413 3.678 40 0 KHABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@@H]1c1ccc2c(c1)OCO2 ZINC000408730055 1066561049 /nfs/dbraw/zinc/56/10/49/1066561049.db2.gz DWIITPLUAXLSMO-WQLLJXGDSA-N 0 0 517.390 3.943 40 0 KHABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)sc2=N[C@H]1c1ccc2c(c1)OCO2 ZINC000408730056 1066561105 /nfs/dbraw/zinc/56/11/05/1066561105.db2.gz DWIITPLUAXLSMO-YOGOOIESSA-N 0 0 517.390 3.943 40 0 KHABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@@H]1c1ccc(OC)cc1 ZINC000408730751 1066560574 /nfs/dbraw/zinc/56/05/74/1066560574.db2.gz HPBHIBSXEXCCQJ-CNSVBDKNSA-N 0 0 513.413 3.678 40 0 KHABRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cccc(Br)c3)sc2=N[C@H]1c1ccc(OC)cc1 ZINC000408730752 1066560646 /nfs/dbraw/zinc/56/06/46/1066560646.db2.gz HPBHIBSXEXCCQJ-FNGUVFISSA-N 0 0 513.413 3.678 40 0 KHABRN 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3.546 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408760065 1066568122 /nfs/dbraw/zinc/56/81/22/1066568122.db2.gz QVCDJIWJRLDXHZ-QPWQWLJXSA-N 0 0 554.624 3.870 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408760066 1066568011 /nfs/dbraw/zinc/56/80/11/1066568011.db2.gz QVCDJIWJRLDXHZ-ZYSRDMNZSA-N 0 0 554.624 3.870 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408760074 1066567919 /nfs/dbraw/zinc/56/79/19/1066567919.db2.gz QYQQSIRCKZJINO-FQWZWQHVSA-N 0 0 586.666 3.970 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408760075 1066568004 /nfs/dbraw/zinc/56/80/04/1066568004.db2.gz QYQQSIRCKZJINO-LRUGRNCASA-N 0 0 586.666 3.970 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408760805 1066568097 /nfs/dbraw/zinc/56/80/97/1066568097.db2.gz 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408764731 1066569899 /nfs/dbraw/zinc/56/98/99/1066569899.db2.gz ACETUYNZNDQEGT-QJWUKVPRSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408764738 1066569818 /nfs/dbraw/zinc/56/98/18/1066569818.db2.gz ACETUYNZNDQEGT-ZYDFGXJWSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408764872 1066569832 /nfs/dbraw/zinc/56/98/32/1066569832.db2.gz AIPWHNLCORJWKF-AWCNIVANSA-N 0 0 631.501 3.512 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408764881 1066570037 /nfs/dbraw/zinc/57/00/37/1066570037.db2.gz AIPWHNLCORJWKF-GBLIIGSVSA-N 0 0 631.501 3.512 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408764898 1066569971 /nfs/dbraw/zinc/56/99/71/1066569971.db2.gz AKMYKIYTBDSJPR-HSELDNCXSA-N 0 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BAPJDDCVCQCICN-ZYDFGXJWSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408765489 1066569314 /nfs/dbraw/zinc/56/93/14/1066569314.db2.gz WHJFEAMUWDNDFD-VEOZPNHKSA-N 0 0 526.614 3.953 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408765490 1066569271 /nfs/dbraw/zinc/56/92/71/1066569271.db2.gz WHJFEAMUWDNDFD-ZEKHAJRLSA-N 0 0 526.614 3.953 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408765925 1066569546 /nfs/dbraw/zinc/56/95/46/1066569546.db2.gz RTOCPAYWCYGVJF-OXIKZWMZSA-N 0 0 542.613 3.658 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408765927 1066569260 /nfs/dbraw/zinc/56/92/60/1066569260.db2.gz RTOCPAYWCYGVJF-QEYQTOMISA-N 0 0 542.613 3.658 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408766504 1066568919 /nfs/dbraw/zinc/56/89/19/1066568919.db2.gz CNQXKZLNTSBASD-BHSBJAHRSA-N 0 0 621.531 3.573 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408766506 1066569399 /nfs/dbraw/zinc/56/93/99/1066569399.db2.gz CNQXKZLNTSBASD-LPRAYXGFSA-N 0 0 621.531 3.573 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408766536 1066569328 /nfs/dbraw/zinc/56/93/28/1066569328.db2.gz CRUQPEVTEMGMAN-AMXTYKKZSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(OC)c(OC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000408766538 1066569231 /nfs/dbraw/zinc/56/92/31/1066569231.db2.gz CRUQPEVTEMGMAN-FVTDTAELSA-N 0 0 645.528 3.520 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n32)c1 ZINC000408766561 1066569508 /nfs/dbraw/zinc/56/95/08/1066569508.db2.gz CZHSYORNTKHPIJ-BIWBSIMWSA-N 0 0 539.613 3.808 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OC(C)=O)c4)c(=O)n32)c1 ZINC000408766563 1066569240 /nfs/dbraw/zinc/56/92/40/1066569240.db2.gz CZHSYORNTKHPIJ-ZGOFBEGVSA-N 0 0 539.613 3.808 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408766584 1066569369 /nfs/dbraw/zinc/56/93/69/1066569369.db2.gz DAPBZLMDKSQIMF-DKOMQPSQSA-N 0 0 617.518 3.985 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408766586 1066569384 /nfs/dbraw/zinc/56/93/84/1066569384.db2.gz DAPBZLMDKSQIMF-IZBTWGKQSA-N 0 0 617.518 3.985 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408767321 1066571104 /nfs/dbraw/zinc/57/11/04/1066571104.db2.gz FQZOXJWVQLHXBP-BHSBJAHRSA-N 0 0 591.505 3.564 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408767322 1066571037 /nfs/dbraw/zinc/57/10/37/1066571037.db2.gz FQZOXJWVQLHXBP-LPRAYXGFSA-N 0 0 591.505 3.564 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408767410 1066574998 /nfs/dbraw/zinc/57/49/98/1066574998.db2.gz XFPXRQNTJAUAKO-FQWZWQHVSA-N 0 0 584.650 3.878 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408767411 1066574874 /nfs/dbraw/zinc/57/48/74/1066574874.db2.gz XFPXRQNTJAUAKO-LRUGRNCASA-N 0 0 584.650 3.878 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767727 1066574843 /nfs/dbraw/zinc/57/48/43/1066574843.db2.gz GQLCJWRUWJTOMK-JKALPCAWSA-N 0 0 519.044 3.921 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408767728 1066575112 /nfs/dbraw/zinc/57/51/12/1066575112.db2.gz GQLCJWRUWJTOMK-SQWSFHKJSA-N 0 0 519.044 3.921 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408767876 1066575125 /nfs/dbraw/zinc/57/51/25/1066575125.db2.gz GYKTZRVRWAXBHY-QZMHYXCESA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408767879 1066574863 /nfs/dbraw/zinc/57/48/63/1066574863.db2.gz GYKTZRVRWAXBHY-XFBBMMLJSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408767882 1066575043 /nfs/dbraw/zinc/57/50/43/1066575043.db2.gz GYOZZKJARZPQEW-DPWKNNTCSA-N 0 0 505.017 3.530 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408767883 1066574830 /nfs/dbraw/zinc/57/48/30/1066574830.db2.gz GYOZZKJARZPQEW-XGHXRCDJSA-N 0 0 505.017 3.530 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408767934 1066574373 /nfs/dbraw/zinc/57/43/73/1066574373.db2.gz HFLCAZNKTGFMHR-UTWPHBJQSA-N 0 0 617.518 3.985 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408767935 1066574519 /nfs/dbraw/zinc/57/45/19/1066574519.db2.gz HFLCAZNKTGFMHR-VPVLBGOXSA-N 0 0 617.518 3.985 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(O)c4)c(=O)n32)c1 ZINC000408768027 1066574559 /nfs/dbraw/zinc/57/45/59/1066574559.db2.gz HQFSTVLFXKEMBY-LMSRTUJASA-N 0 0 527.602 3.597 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(O)c4)c(=O)n32)c1 ZINC000408768032 1066574420 /nfs/dbraw/zinc/57/44/20/1066574420.db2.gz HQFSTVLFXKEMBY-RISWYLRJSA-N 0 0 527.602 3.597 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)c1 ZINC000408768041 1066574400 /nfs/dbraw/zinc/57/44/00/1066574400.db2.gz HQXKBFYTQHZZAU-FUFNRSNVSA-N 0 0 569.639 3.816 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)c1 ZINC000408768045 1066574986 /nfs/dbraw/zinc/57/49/86/1066574986.db2.gz HQXKBFYTQHZZAU-PRLWALMFSA-N 0 0 569.639 3.816 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408768186 1066574567 /nfs/dbraw/zinc/57/45/67/1066574567.db2.gz USBHNMJBSZKXQU-FQWZWQHVSA-N 0 0 583.666 3.824 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408768188 1066574530 /nfs/dbraw/zinc/57/45/30/1066574530.db2.gz CRMAQWBHRWLUBT-HSPFKPFCSA-N 0 0 559.619 3.504 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408768189 1066574387 /nfs/dbraw/zinc/57/43/87/1066574387.db2.gz USBHNMJBSZKXQU-LRUGRNCASA-N 0 0 583.666 3.824 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408768191 1066574505 /nfs/dbraw/zinc/57/45/05/1066574505.db2.gz CRMAQWBHRWLUBT-IQYNPEPDSA-N 0 0 559.619 3.504 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768358 1066574450 /nfs/dbraw/zinc/57/44/50/1066574450.db2.gz IESQJIBLABNCPD-GSOQPGDSSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768360 1066211046 /nfs/dbraw/zinc/21/10/46/1066211046.db2.gz IESQJIBLABNCPD-YOURIZNBSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768400 1066574540 /nfs/dbraw/zinc/57/45/40/1066574540.db2.gz IPEZAMBKPCUYJW-MBNKTHEGSA-N 0 0 659.296 3.776 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(I)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768401 1066574325 /nfs/dbraw/zinc/57/43/25/1066574325.db2.gz IPEZAMBKPCUYJW-WRFQGRBFSA-N 0 0 659.296 3.776 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768693 1066573986 /nfs/dbraw/zinc/57/39/86/1066573986.db2.gz JTZWCWLXZFVPEW-QJWUKVPRSA-N 0 0 633.517 3.604 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768694 1066573947 /nfs/dbraw/zinc/57/39/47/1066573947.db2.gz JTZWCWLXZFVPEW-ZYDFGXJWSA-N 0 0 633.517 3.604 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408768715 1066574045 /nfs/dbraw/zinc/57/40/45/1066574045.db2.gz JYCNFEHTZBZACR-KIHONOKQSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408768717 1066211095 /nfs/dbraw/zinc/21/10/95/1066211095.db2.gz JYCNFEHTZBZACR-YLVTVWEBSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408768731 1066573873 /nfs/dbraw/zinc/57/38/73/1066573873.db2.gz JZWAAASIEYVKOW-AMXTYKKZSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)c1 ZINC000408768734 1066211015 /nfs/dbraw/zinc/21/10/15/1066211015.db2.gz JZWAAASIEYVKOW-FVTDTAELSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000408769002 1066211103 /nfs/dbraw/zinc/21/11/03/1066211103.db2.gz KWVJICUMIIATDD-JKALPCAWSA-N 0 0 610.495 3.872 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000408769003 1066574033 /nfs/dbraw/zinc/57/40/33/1066574033.db2.gz KWVJICUMIIATDD-SQWSFHKJSA-N 0 0 610.495 3.872 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769049 1066211487 /nfs/dbraw/zinc/21/14/87/1066211487.db2.gz LHMGNSNMQVJBPR-ABLFFYCWSA-N 0 0 675.554 3.529 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408769050 1066573992 /nfs/dbraw/zinc/57/39/92/1066573992.db2.gz LHMGNSNMQVJBPR-DAQGULMVSA-N 0 0 675.554 3.529 40 0 KHABRN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n31)c1ccccc1CC2 ZINC000408769170 1066574069 /nfs/dbraw/zinc/57/40/69/1066574069.db2.gz LNBZJJQGEIVXMX-QPWQWLJXSA-N 0 0 525.630 3.757 40 0 KHABRN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n31)c1ccccc1CC2 ZINC000408769171 1066573959 /nfs/dbraw/zinc/57/39/59/1066573959.db2.gz LNBZJJQGEIVXMX-ZYSRDMNZSA-N 0 0 525.630 3.757 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769207 1066574028 /nfs/dbraw/zinc/57/40/28/1066574028.db2.gz LWQMPDXBDBALAE-HJUDQDPUSA-N 0 0 645.528 3.902 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769209 1066574039 /nfs/dbraw/zinc/57/40/39/1066574039.db2.gz LWQMPDXBDBALAE-WYLTYJJASA-N 0 0 645.528 3.902 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769211 1066211465 /nfs/dbraw/zinc/21/14/65/1066211465.db2.gz LYHBNBCRHDGCIX-QJWUKVPRSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769213 1066574008 /nfs/dbraw/zinc/57/40/08/1066574008.db2.gz LYHBNBCRHDGCIX-ZYDFGXJWSA-N 0 0 601.475 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769547 1066573488 /nfs/dbraw/zinc/57/34/88/1066573488.db2.gz NSFHESAYBSQJOD-KIHONOKQSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(C)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769548 1066573614 /nfs/dbraw/zinc/57/36/14/1066573614.db2.gz NSFHESAYBSQJOD-YLVTVWEBSA-N 0 0 557.466 3.886 40 0 KHABRN Cc1c(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408769708 1066573498 /nfs/dbraw/zinc/57/34/98/1066573498.db2.gz ZWBBSDRUPRUJLK-UHFFFAOYSA-N 0 0 504.612 3.935 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)c1 ZINC000408769747 1066573518 /nfs/dbraw/zinc/57/35/18/1066573518.db2.gz OKBNRHJFLFCCNN-BIWBSIMWSA-N 0 0 541.629 3.900 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)c1 ZINC000408769748 1066573572 /nfs/dbraw/zinc/57/35/72/1066573572.db2.gz OKBNRHJFLFCCNN-ZGOFBEGVSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCOCC6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408769828 1066211585 /nfs/dbraw/zinc/21/15/85/1066211585.db2.gz PJSFITNLIVHKDZ-GBIJUZDQSA-N 0 0 555.656 3.766 40 0 KHABRN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(N6CCOCC6)o5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000408769829 1066573580 /nfs/dbraw/zinc/57/35/80/1066573580.db2.gz PJSFITNLIVHKDZ-JQTKYWOZSA-N 0 0 555.656 3.766 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408769883 1066573476 /nfs/dbraw/zinc/57/34/76/1066573476.db2.gz QFRNTORTFCJRLF-IYMWYRQMSA-N 0 0 744.345 3.941 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3OC(C)=O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408769884 1066573439 /nfs/dbraw/zinc/57/34/39/1066573439.db2.gz QFRNTORTFCJRLF-VMOHIOPYSA-N 0 0 744.345 3.941 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408770044 1066571559 /nfs/dbraw/zinc/57/15/59/1066571559.db2.gz SAJZYBVHOHQBSY-KZHNULSXSA-N 0 0 689.581 3.919 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408770045 1066571434 /nfs/dbraw/zinc/57/14/34/1066571434.db2.gz SAJZYBVHOHQBSY-MROJKYQFSA-N 0 0 689.581 3.919 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)c1 ZINC000408770051 1066211495 /nfs/dbraw/zinc/21/14/95/1066211495.db2.gz SCNWWUMNLWLPGO-BIWBSIMWSA-N 0 0 541.629 3.900 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)c1 ZINC000408770052 1066571483 /nfs/dbraw/zinc/57/14/83/1066571483.db2.gz SCNWWUMNLWLPGO-ZGOFBEGVSA-N 0 0 541.629 3.900 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770073 1066571496 /nfs/dbraw/zinc/57/14/96/1066571496.db2.gz SJLKQJLMQYSCTG-JZRHZWBPSA-N 0 0 623.909 3.946 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770074 1066571528 /nfs/dbraw/zinc/57/15/28/1066571528.db2.gz SJLKQJLMQYSCTG-LIHBCPLWSA-N 0 0 623.909 3.946 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)c1 ZINC000408770080 1066571471 /nfs/dbraw/zinc/57/14/71/1066571471.db2.gz SMGAYDPEEOPJBL-BIWBSIMWSA-N 0 0 539.613 3.808 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)c1 ZINC000408770081 1066211573 /nfs/dbraw/zinc/21/15/73/1066211573.db2.gz SMGAYDPEEOPJBL-ZGOFBEGVSA-N 0 0 539.613 3.808 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770101 1066571574 /nfs/dbraw/zinc/57/15/74/1066571574.db2.gz STDGYEDIYIZPRR-QJWUKVPRSA-N 0 0 587.492 3.895 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770102 1066211685 /nfs/dbraw/zinc/21/16/85/1066211685.db2.gz STDGYEDIYIZPRR-ZYDFGXJWSA-N 0 0 587.492 3.895 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770170 1066573085 /nfs/dbraw/zinc/57/30/85/1066573085.db2.gz UGTFGIPQEIULEQ-DKOMQPSQSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770171 1066573007 /nfs/dbraw/zinc/57/30/07/1066573007.db2.gz UGTFGIPQEIULEQ-IZBTWGKQSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770173 1066211558 /nfs/dbraw/zinc/21/15/58/1066211558.db2.gz UHQJLXIPRYYJDB-KIHONOKQSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408770174 1066573599 /nfs/dbraw/zinc/57/35/99/1066573599.db2.gz UHQJLXIPRYYJDB-YLVTVWEBSA-N 0 0 573.465 3.587 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCCO5)c(=O)n32)c1 ZINC000408770208 1066573467 /nfs/dbraw/zinc/57/34/67/1066573467.db2.gz URPPMPRFFBKUEU-BIWBSIMWSA-N 0 0 539.613 3.654 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCCO5)c(=O)n32)c1 ZINC000408770209 1066573588 /nfs/dbraw/zinc/57/35/88/1066573588.db2.gz URPPMPRFFBKUEU-ZGOFBEGVSA-N 0 0 539.613 3.654 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408770330 1066572997 /nfs/dbraw/zinc/57/29/97/1066572997.db2.gz WHRRZPYPYYEPPE-AMXTYKKZSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408770331 1066573074 /nfs/dbraw/zinc/57/30/74/1066573074.db2.gz WHRRZPYPYYEPPE-FVTDTAELSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408770339 1066573048 /nfs/dbraw/zinc/57/30/48/1066573048.db2.gz WIVNXLDDUMAFOU-RZXXJPOTSA-N 0 0 563.495 3.948 40 0 KHABRN 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/nfs/dbraw/zinc/57/21/43/1066572143.db2.gz JEXSDYANNSSZOK-XGHXRCDJSA-N 0 0 549.468 3.640 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408774103 1066212366 /nfs/dbraw/zinc/21/23/66/1066212366.db2.gz ARTMPXYXFRXUJA-JAORQVBISA-N 0 0 561.429 3.717 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408774104 1066212226 /nfs/dbraw/zinc/21/22/26/1066212226.db2.gz ARTMPXYXFRXUJA-JCAJYURWSA-N 0 0 561.429 3.717 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408774247 1066212074 /nfs/dbraw/zinc/21/20/74/1066212074.db2.gz BPCSKWTXWANHEJ-HVQRGMKJSA-N 0 0 511.669 3.959 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408774248 1066572173 /nfs/dbraw/zinc/57/21/73/1066572173.db2.gz BPCSKWTXWANHEJ-WNPPMXKSSA-N 0 0 511.669 3.959 40 0 KHABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408774780 1066571993 /nfs/dbraw/zinc/57/19/93/1066571993.db2.gz XJDBIKAYZNHEGC-GTWFGUSFSA-N 0 0 539.613 3.669 40 0 KHABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408774784 1066190711 /nfs/dbraw/zinc/19/07/11/1066190711.db2.gz XJDBIKAYZNHEGC-SJJVXOANSA-N 0 0 539.613 3.669 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408776109 1066572165 /nfs/dbraw/zinc/57/21/65/1066572165.db2.gz LVMAANZCRZDFJC-FQWZWQHVSA-N 0 0 583.666 3.824 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408776112 1066571972 /nfs/dbraw/zinc/57/19/72/1066571972.db2.gz LVMAANZCRZDFJC-LRUGRNCASA-N 0 0 583.666 3.824 40 0 KHABRN Cc1c(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408776270 1066572194 /nfs/dbraw/zinc/57/21/94/1066572194.db2.gz XXKFGCVBWGBBCP-UHFFFAOYSA-N 0 0 511.003 3.972 40 0 KHABRN 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1066577807 /nfs/dbraw/zinc/57/78/07/1066577807.db2.gz VAXOQMVSDMJZBY-JCAJYURWSA-N 0 0 638.505 3.788 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cccc1OC ZINC000408784916 1066577753 /nfs/dbraw/zinc/57/77/53/1066577753.db2.gz WPCVVYLAIQDNJT-GBIJUZDQSA-N 0 0 613.692 3.833 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cccc1OC ZINC000408784918 1066577741 /nfs/dbraw/zinc/57/77/41/1066577741.db2.gz WPCVVYLAIQDNJT-JQTKYWOZSA-N 0 0 613.692 3.833 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785519 1066577118 /nfs/dbraw/zinc/57/71/18/1066577118.db2.gz GUFOLNUJNAPYIX-HZHYMEEXSA-N 0 0 530.577 3.789 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785521 1066577135 /nfs/dbraw/zinc/57/71/35/1066577135.db2.gz GUFOLNUJNAPYIX-VFHYMGCCSA-N 0 0 530.577 3.789 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785570 1066577195 /nfs/dbraw/zinc/57/71/95/1066577195.db2.gz ZUMBSBXKCZFRNN-GJISQHIDSA-N 0 0 500.551 3.780 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785571 1066577015 /nfs/dbraw/zinc/57/70/15/1066577015.db2.gz ZUMBSBXKCZFRNN-YVVITCHPSA-N 0 0 500.551 3.780 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408785682 1066577026 /nfs/dbraw/zinc/57/70/26/1066577026.db2.gz AREBJESHYXCRJG-CCOQBKANSA-N 0 0 517.582 3.734 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408785684 1066213617 /nfs/dbraw/zinc/21/36/17/1066213617.db2.gz AREBJESHYXCRJG-RNEGFDSTSA-N 0 0 517.582 3.734 40 0 KHABRN CCc1ccccc1NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 ZINC000408785885 1066577255 /nfs/dbraw/zinc/57/72/55/1066577255.db2.gz JGPQWAYEFNNXGS-UHFFFAOYSA-N 0 0 504.612 3.881 40 0 KHABRN CCOc1ccc(NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 ZINC000408785937 1066213652 /nfs/dbraw/zinc/21/36/52/1066213652.db2.gz KCQSEKROCGTMNQ-UHFFFAOYSA-N 0 0 520.611 3.717 40 0 KHABRN Cc1c(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408786145 1066214528 /nfs/dbraw/zinc/21/45/28/1066214528.db2.gz FNEDSHHHALFOBP-UHFFFAOYSA-N 0 0 504.612 3.935 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408786288 1066214440 /nfs/dbraw/zinc/21/44/40/1066214440.db2.gz OKGKJGLBFRDUIO-IISPMBILSA-N 0 0 690.272 3.852 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408786289 1066577076 /nfs/dbraw/zinc/57/70/76/1066577076.db2.gz OKGKJGLBFRDUIO-VZZQTLFRSA-N 0 0 690.272 3.852 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408786474 1066576701 /nfs/dbraw/zinc/57/67/01/1066576701.db2.gz QPGVMZNSPWFMNZ-AFHVAHMMSA-N 0 0 589.439 3.634 40 0 KHABRN 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3.597 40 0 KHABRN Cc1c(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408790648 1066578791 /nfs/dbraw/zinc/57/87/91/1066578791.db2.gz QJXIBPOXVXBGCM-FQEVSTJZSA-N 0 0 504.612 3.557 40 0 KHABRN Cc1c(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000408790650 1066578685 /nfs/dbraw/zinc/57/86/85/1066578685.db2.gz QJXIBPOXVXBGCM-HXUWFJFHSA-N 0 0 504.612 3.557 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408802970 1066580453 /nfs/dbraw/zinc/58/04/53/1066580453.db2.gz JTCAVJNTLHFSGG-JAORQVBISA-N 0 0 516.978 3.608 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408802971 1066215165 /nfs/dbraw/zinc/21/51/65/1066215165.db2.gz JTCAVJNTLHFSGG-JCAJYURWSA-N 0 0 516.978 3.608 40 0 KHABRN CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)cc(Br)c1OCC(N)=O ZINC000408803792 1066579856 /nfs/dbraw/zinc/57/98/56/1066579856.db2.gz AMTQSOGWHPEAFL-UHFFFAOYSA-N 0 0 521.413 3.792 40 0 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3.733 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408808153 1066215884 /nfs/dbraw/zinc/21/58/84/1066215884.db2.gz FFRHGZAHJQMTPM-DLBLZJNESA-N 0 0 510.587 3.735 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408808154 1066583168 /nfs/dbraw/zinc/58/31/68/1066583168.db2.gz FFRHGZAHJQMTPM-FCKOQQNDSA-N 0 0 510.587 3.735 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408808248 1066582576 /nfs/dbraw/zinc/58/25/76/1066582576.db2.gz FHWLJEGFUBAOOG-LMSRTUJASA-N 0 0 561.660 3.624 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408808254 1066583118 /nfs/dbraw/zinc/58/31/18/1066583118.db2.gz FHWLJEGFUBAOOG-RISWYLRJSA-N 0 0 561.660 3.624 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408808763 1066582778 /nfs/dbraw/zinc/58/27/78/1066582778.db2.gz FKQCAOHRORDUAR-LMSRTUJASA-N 0 0 531.634 3.616 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408808768 1066582589 /nfs/dbraw/zinc/58/25/89/1066582589.db2.gz FKQCAOHRORDUAR-RISWYLRJSA-N 0 0 531.634 3.616 40 0 KHABRN COc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1I ZINC000408809052 1066582562 /nfs/dbraw/zinc/58/25/62/1066582562.db2.gz GKXPZOWZXPFRMI-UITAMQMPSA-N 0 0 501.083 3.571 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408809394 1066190850 /nfs/dbraw/zinc/19/08/50/1066190850.db2.gz HAVPPLGDJUGFQY-JAORQVBISA-N 0 0 608.429 3.559 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408809400 1066582671 /nfs/dbraw/zinc/58/26/71/1066582671.db2.gz HAVPPLGDJUGFQY-JCAJYURWSA-N 0 0 608.429 3.559 40 0 KHABRN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408809573 1066582755 /nfs/dbraw/zinc/58/27/55/1066582755.db2.gz HCEMGUJVTHOVCN-MZANGIHLSA-N 0 0 543.645 3.625 40 0 KHABRN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408809577 1066582724 /nfs/dbraw/zinc/58/27/24/1066582724.db2.gz HCEMGUJVTHOVCN-QFDNUGPTSA-N 0 0 543.645 3.625 40 0 KHABRN CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)cc(I)c1OCC(N)=O ZINC000408809830 1066215844 /nfs/dbraw/zinc/21/58/44/1066215844.db2.gz RXCZSHHXEFWOCB-UHFFFAOYSA-N 0 0 568.413 3.634 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408810286 1066215776 /nfs/dbraw/zinc/21/57/76/1066215776.db2.gz JKQMBQARVUEHKB-IGSWSUAKSA-N 0 0 510.587 3.733 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408810291 1066582602 /nfs/dbraw/zinc/58/26/02/1066582602.db2.gz JKQMBQARVUEHKB-YMSBRDKKSA-N 0 0 510.587 3.733 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408810768 1066582811 /nfs/dbraw/zinc/58/28/11/1066582811.db2.gz USLIARCSGWUBGZ-VLOXRPPESA-N 0 0 622.456 3.949 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408810775 1066582683 /nfs/dbraw/zinc/58/26/83/1066582683.db2.gz USLIARCSGWUBGZ-WLJFKGHSSA-N 0 0 622.456 3.949 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408811534 1066582184 /nfs/dbraw/zinc/58/21/84/1066582184.db2.gz VWLBNQZCUOQZFS-DNQIBQKISA-N 0 0 633.492 3.650 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408811543 1066215871 /nfs/dbraw/zinc/21/58/71/1066215871.db2.gz VWLBNQZCUOQZFS-NIQJEMAJSA-N 0 0 633.492 3.650 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1I ZINC000408815837 1066581603 /nfs/dbraw/zinc/58/16/03/1066581603.db2.gz SLJVGNNFZVDINI-WDZFZDKYSA-N 0 0 526.146 3.662 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)cc1OC ZINC000408815894 1066581425 /nfs/dbraw/zinc/58/14/25/1066581425.db2.gz VTVPOVOSCWLODT-LMSRTUJASA-N 0 0 526.618 3.595 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4ccncc4)c(=O)n32)cc1OC ZINC000408815895 1066581575 /nfs/dbraw/zinc/58/15/75/1066581575.db2.gz VTVPOVOSCWLODT-RISWYLRJSA-N 0 0 526.618 3.595 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1I ZINC000408816947 1066581656 /nfs/dbraw/zinc/58/16/56/1066581656.db2.gz KILZNOXQULSMKV-WDZFZDKYSA-N 0 0 573.146 3.504 40 0 KHABRN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408818840 1066585188 /nfs/dbraw/zinc/58/51/88/1066585188.db2.gz ZBQCSAICHRCFMA-CWJUKMOQSA-N 0 0 633.723 3.650 40 0 KHABRN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408818850 1066585154 /nfs/dbraw/zinc/58/51/54/1066585154.db2.gz ZBQCSAICHRCFMA-SFKHYTNKSA-N 0 0 633.723 3.650 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408819212 1066585181 /nfs/dbraw/zinc/58/51/81/1066585181.db2.gz ZVKUTMQDINRYTC-VLOXRPPESA-N 0 0 500.979 3.990 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408819215 1066585162 /nfs/dbraw/zinc/58/51/62/1066585162.db2.gz ZVKUTMQDINRYTC-WLJFKGHSSA-N 0 0 500.979 3.990 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408820096 1066585174 /nfs/dbraw/zinc/58/51/74/1066585174.db2.gz VBSSAJWXTALPSZ-IGSWSUAKSA-N 0 0 573.067 3.876 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408820099 1066585149 /nfs/dbraw/zinc/58/51/49/1066585149.db2.gz VBSSAJWXTALPSZ-YMSBRDKKSA-N 0 0 573.067 3.876 40 0 KHABRN CCOc1c(I)cc(/C=C2\SC(=O)N(C)C2=O)cc1I ZINC000408820103 1066585080 /nfs/dbraw/zinc/58/50/80/1066585080.db2.gz TZQHYBUUOAKBGB-POHAHGRESA-N 0 0 515.110 3.961 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408821059 1066584629 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1066216970 /nfs/dbraw/zinc/21/69/70/1066216970.db2.gz HCLSNNHOYSFWOP-YLVTVWEBSA-N 0 0 573.465 3.759 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408821436 1066584570 /nfs/dbraw/zinc/58/45/70/1066584570.db2.gz HIEZFGJYXHAMDZ-IGSWSUAKSA-N 0 0 615.502 3.893 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408821437 1066584712 /nfs/dbraw/zinc/58/47/12/1066584712.db2.gz HIEZFGJYXHAMDZ-YMSBRDKKSA-N 0 0 615.502 3.893 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408821444 1066217000 /nfs/dbraw/zinc/21/70/00/1066217000.db2.gz HKXCQMMPWBSUHK-NWKGEQBZSA-N 0 0 557.466 3.974 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OCC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408821445 1066217066 /nfs/dbraw/zinc/21/70/66/1066217066.db2.gz HKXCQMMPWBSUHK-YOKWNPFVSA-N 0 0 557.466 3.974 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408821763 1066217179 /nfs/dbraw/zinc/21/71/79/1066217179.db2.gz APJUDYRZPAPKBX-IGSWSUAKSA-N 0 0 585.476 3.885 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408821765 1066217030 /nfs/dbraw/zinc/21/70/30/1066217030.db2.gz APJUDYRZPAPKBX-YMSBRDKKSA-N 0 0 585.476 3.885 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408821777 1066584597 /nfs/dbraw/zinc/58/45/97/1066584597.db2.gz ARAZILGZSMGUDV-CVGPFBNFSA-N 0 0 513.015 3.859 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408821779 1066584604 /nfs/dbraw/zinc/58/46/04/1066584604.db2.gz ARAZILGZSMGUDV-LJJBLSSYSA-N 0 0 513.015 3.859 40 0 KHABRN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408821783 1066584655 /nfs/dbraw/zinc/58/46/55/1066584655.db2.gz KFQJWFFXFTXPCP-CWJUKMOQSA-N 0 0 603.697 3.642 40 0 KHABRN CCOC(=O)Cn1c(C)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408821785 1066584782 /nfs/dbraw/zinc/58/47/82/1066584782.db2.gz KFQJWFFXFTXPCP-SFKHYTNKSA-N 0 0 603.697 3.642 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408821809 1066584160 /nfs/dbraw/zinc/58/41/60/1066584160.db2.gz KIHATNFXSWIHBX-XSZPGNIMSA-N 0 0 552.649 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408821810 1066584141 /nfs/dbraw/zinc/58/41/41/1066584141.db2.gz KIHATNFXSWIHBX-XXMKCSCWSA-N 0 0 552.649 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)cc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408821840 1066584037 /nfs/dbraw/zinc/58/40/37/1066584037.db2.gz KRXOVXXYSDZMCZ-KIHONOKQSA-N 0 0 620.465 3.601 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)cc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408821841 1066584673 /nfs/dbraw/zinc/58/46/73/1066584673.db2.gz KRXOVXXYSDZMCZ-YLVTVWEBSA-N 0 0 620.465 3.601 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(OC)cc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408822085 1066584079 /nfs/dbraw/zinc/58/40/79/1066584079.db2.gz DXWJWWFQETZPBA-UHFFFAOYSA-N 0 0 516.572 3.564 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408822158 1066584216 /nfs/dbraw/zinc/58/42/16/1066584216.db2.gz AMEXUOCHTRFUHO-JGZDWKDESA-N 0 0 543.439 3.583 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)cc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408822161 1066584116 /nfs/dbraw/zinc/58/41/16/1066584116.db2.gz AMEXUOCHTRFUHO-WYWXSHKMSA-N 0 0 543.439 3.583 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408822437 1066216426 /nfs/dbraw/zinc/21/64/26/1066216426.db2.gz BTJPUUBQKPHROQ-AFHVAHMMSA-N 0 0 620.465 3.516 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408822438 1066584092 /nfs/dbraw/zinc/58/40/92/1066584092.db2.gz BTJPUUBQKPHROQ-ZRELAVNMSA-N 0 0 620.465 3.516 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408822788 1066584232 /nfs/dbraw/zinc/58/42/32/1066584232.db2.gz MCWUXXOPYJRVLH-KLKBWYFJSA-N 0 0 543.645 3.625 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408822789 1066584104 /nfs/dbraw/zinc/58/41/04/1066584104.db2.gz MCWUXXOPYJRVLH-LKWZWFHSSA-N 0 0 543.645 3.625 40 0 KHABRN CCOC(=O)COc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823231 1066216437 /nfs/dbraw/zinc/21/64/37/1066216437.db2.gz NIJCMDHGUKOSSV-IBYCJETLSA-N 0 0 629.529 3.901 40 0 KHABRN CCOC(=O)COc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OCC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408823233 1066216474 /nfs/dbraw/zinc/21/64/74/1066216474.db2.gz NIJCMDHGUKOSSV-OFCKJYIJSA-N 0 0 629.529 3.901 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408823251 1066584261 /nfs/dbraw/zinc/58/42/61/1066584261.db2.gz DNBADRUVSLHENM-FOOJEKODSA-N 0 0 522.623 3.604 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408823252 1066584200 /nfs/dbraw/zinc/58/42/00/1066584200.db2.gz DNBADRUVSLHENM-FVIVVMBBSA-N 0 0 522.623 3.604 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823403 1066583748 /nfs/dbraw/zinc/58/37/48/1066583748.db2.gz DFGQTMKSMXRYTH-RBXKPUFLSA-N 0 0 594.686 3.536 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823405 1066583650 /nfs/dbraw/zinc/58/36/50/1066583650.db2.gz DFGQTMKSMXRYTH-STEKTNRRSA-N 0 0 594.686 3.536 40 0 KHABRN CCOC(=O)COc1cc(Br)c(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823441 1066583715 /nfs/dbraw/zinc/58/37/15/1066583715.db2.gz FIXPCZCDDIFBJO-VZFFITARSA-N 0 0 629.529 3.820 40 0 KHABRN CCOC(=O)COc1cc(Br)c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823442 1066216448 /nfs/dbraw/zinc/21/64/48/1066216448.db2.gz FIXPCZCDDIFBJO-WCDDXEHASA-N 0 0 629.529 3.820 40 0 KHABRN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823712 1066583618 /nfs/dbraw/zinc/58/36/18/1066583618.db2.gz ONYRXEPOYQSVGA-OWXSRONMSA-N 0 0 506.624 3.904 40 0 KHABRN CCCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408823715 1066583628 /nfs/dbraw/zinc/58/36/28/1066583628.db2.gz ONYRXEPOYQSVGA-ZMIGGIFCSA-N 0 0 506.624 3.904 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408823826 1066216326 /nfs/dbraw/zinc/21/63/26/1066216326.db2.gz GKOOUXKDFZCCDM-XSZPGNIMSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408823829 1066583703 /nfs/dbraw/zinc/58/37/03/1066583703.db2.gz GKOOUXKDFZCCDM-XXMKCSCWSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408823926 1066216366 /nfs/dbraw/zinc/21/63/66/1066216366.db2.gz GXXXQJPXAWYDBO-KZIRBZLESA-N 0 0 503.443 3.931 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408823927 1066217042 /nfs/dbraw/zinc/21/70/42/1066217042.db2.gz GXXXQJPXAWYDBO-SKTWIKFTSA-N 0 0 503.443 3.931 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408824075 1066583726 /nfs/dbraw/zinc/58/37/26/1066583726.db2.gz PGQULIAMSPWSOG-XSZPGNIMSA-N 0 0 522.623 3.690 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408824078 1066217159 /nfs/dbraw/zinc/21/71/59/1066217159.db2.gz PGQULIAMSPWSOG-XXMKCSCWSA-N 0 0 522.623 3.690 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824094 1066583681 /nfs/dbraw/zinc/58/36/81/1066583681.db2.gz GYNXGHSASAWDRG-BLJGQIRFSA-N 0 0 629.529 3.820 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824097 1066583639 /nfs/dbraw/zinc/58/36/39/1066583639.db2.gz GYNXGHSASAWDRG-MLJBDGAYSA-N 0 0 629.529 3.820 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OC)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824247 1066217078 /nfs/dbraw/zinc/21/70/78/1066217078.db2.gz HNVMPUKMFVFXQO-AFHVAHMMSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824249 1066583735 /nfs/dbraw/zinc/58/37/35/1066583735.db2.gz HNVMPUKMFVFXQO-ZRELAVNMSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408824345 1066583296 /nfs/dbraw/zinc/58/32/96/1066583296.db2.gz GVQLUKQCBFOLQS-QTQKINJDSA-N 0 0 629.529 3.900 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408824347 1066583759 /nfs/dbraw/zinc/58/37/59/1066583759.db2.gz GVQLUKQCBFOLQS-ZKZBLMLZSA-N 0 0 629.529 3.900 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824564 1066217600 /nfs/dbraw/zinc/21/76/00/1066217600.db2.gz IGXYKXVITRRGTN-MRCZTLKWSA-N 0 0 543.439 3.583 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(OC)c3O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824566 1066583221 /nfs/dbraw/zinc/58/32/21/1066583221.db2.gz IGXYKXVITRRGTN-ZNQKWNQWSA-N 0 0 543.439 3.583 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408824633 1066583251 /nfs/dbraw/zinc/58/32/51/1066583251.db2.gz HAIVOFGNAIPYPW-GTWFGUSFSA-N 0 0 550.633 3.521 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408824634 1066217840 /nfs/dbraw/zinc/21/78/40/1066217840.db2.gz HAIVOFGNAIPYPW-SJJVXOANSA-N 0 0 550.633 3.521 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824710 1066583154 /nfs/dbraw/zinc/58/31/54/1066583154.db2.gz JCGZYKVQNIZMRB-UBXANZILSA-N 0 0 544.414 3.711 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824712 1066583199 /nfs/dbraw/zinc/58/31/99/1066583199.db2.gz JCGZYKVQNIZMRB-YMFQVDJJSA-N 0 0 544.414 3.711 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408824730 1066583266 /nfs/dbraw/zinc/58/32/66/1066583266.db2.gz HKIAJNCBZKMVLE-IMEWXKHHSA-N 0 0 513.015 3.777 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408824732 1066583131 /nfs/dbraw/zinc/58/31/31/1066583131.db2.gz HKIAJNCBZKMVLE-WVWKGNOCSA-N 0 0 513.015 3.777 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408825165 1066585629 /nfs/dbraw/zinc/58/56/29/1066585629.db2.gz ALVQNKWMZCBXPI-FBHQFGEZSA-N 0 0 513.015 3.859 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408825167 1066585443 /nfs/dbraw/zinc/58/54/43/1066585443.db2.gz ALVQNKWMZCBXPI-PZHBDVNGSA-N 0 0 513.015 3.859 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OC)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408825246 1066585504 /nfs/dbraw/zinc/58/55/04/1066585504.db2.gz IAMRRSODKWCERB-AFHVAHMMSA-N 0 0 604.466 3.729 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408825255 1066218225 /nfs/dbraw/zinc/21/82/25/1066218225.db2.gz IAMRRSODKWCERB-ZRELAVNMSA-N 0 0 604.466 3.729 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408825258 1066218250 /nfs/dbraw/zinc/21/82/50/1066218250.db2.gz JKGPZDPADBLHDL-BLJGQIRFSA-N 0 0 599.503 3.811 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000408825260 1066585538 /nfs/dbraw/zinc/58/55/38/1066585538.db2.gz JKGPZDPADBLHDL-MLJBDGAYSA-N 0 0 599.503 3.811 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408825315 1066585919 /nfs/dbraw/zinc/58/59/19/1066585919.db2.gz 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/nfs/dbraw/zinc/58/55/95/1066585595.db2.gz CQGKMYQNJHJWRE-LJJBLSSYSA-N 0 0 513.015 3.859 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408825492 1066218319 /nfs/dbraw/zinc/21/83/19/1066218319.db2.gz ARFCOYUHKDRQMQ-DPWKNNTCSA-N 0 0 538.931 3.708 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408825495 1066585457 /nfs/dbraw/zinc/58/54/57/1066585457.db2.gz ARFCOYUHKDRQMQ-XGHXRCDJSA-N 0 0 538.931 3.708 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408825717 1066585606 /nfs/dbraw/zinc/58/56/06/1066585606.db2.gz FHWGWIGJOKXMGW-JKALPCAWSA-N 0 0 550.942 3.765 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408825720 1066218240 /nfs/dbraw/zinc/21/82/40/1066218240.db2.gz FHWGWIGJOKXMGW-SQWSFHKJSA-N 0 0 550.942 3.765 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408825987 1066586088 /nfs/dbraw/zinc/58/60/88/1066586088.db2.gz SHUOBDBUNOUOKV-QCHPHUCNSA-N 0 0 632.476 3.645 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408825988 1066217143 /nfs/dbraw/zinc/21/71/43/1066217143.db2.gz SHUOBDBUNOUOKV-VZIOXZNFSA-N 0 0 632.476 3.645 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408826102 1066217591 /nfs/dbraw/zinc/21/75/91/1066217591.db2.gz KQFFLYYJZNPRFC-BLJGQIRFSA-N 0 0 646.503 3.653 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1I ZINC000408826103 1066217695 /nfs/dbraw/zinc/21/76/95/1066217695.db2.gz KQFFLYYJZNPRFC-MLJBDGAYSA-N 0 0 646.503 3.653 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408826787 1066217643 /nfs/dbraw/zinc/21/76/43/1066217643.db2.gz DBKSFXDYFBNPBH-DKOMQPSQSA-N 0 0 573.067 3.876 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408826790 1066585591 /nfs/dbraw/zinc/58/55/91/1066585591.db2.gz DBKSFXDYFBNPBH-IZBTWGKQSA-N 0 0 573.067 3.876 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408827181 1066217625 /nfs/dbraw/zinc/21/76/25/1066217625.db2.gz GHHHBYAHTXGQKA-JKALPCAWSA-N 0 0 550.942 3.919 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408827182 1066217578 /nfs/dbraw/zinc/21/75/78/1066217578.db2.gz GHHHBYAHTXGQKA-SQWSFHKJSA-N 0 0 550.942 3.919 40 0 KHABRN Cc1ccc(CN(Cc2ccc(/C=c3\sc4n(c3=O)CCCN=4)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408827311 1066217672 /nfs/dbraw/zinc/21/76/72/1066217672.db2.gz JBRBPSFLDCXYNM-IWIPYMOSSA-N 0 0 542.082 3.708 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408827323 1066587474 /nfs/dbraw/zinc/58/74/74/1066587474.db2.gz CRQRJAYKCOJNIO-KYRGTEIWSA-N 0 0 573.671 3.715 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000408827332 1066587420 /nfs/dbraw/zinc/58/74/20/1066587420.db2.gz CRQRJAYKCOJNIO-NKYAOSOXSA-N 0 0 573.671 3.715 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408827752 1066591217 /nfs/dbraw/zinc/59/12/17/1066591217.db2.gz MEFXGVPQKOVJGO-ARLGEPFESA-N 0 0 706.555 3.752 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(I)cc1OC ZINC000408827756 1066591350 /nfs/dbraw/zinc/59/13/50/1066591350.db2.gz MEFXGVPQKOVJGO-SCRHHBKZSA-N 0 0 706.555 3.752 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408827779 1066591171 /nfs/dbraw/zinc/59/11/71/1066591171.db2.gz UVKJJFIWFQWIOT-ARLGEPFESA-N 0 0 659.555 3.910 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408827781 1066591425 /nfs/dbraw/zinc/59/14/25/1066591425.db2.gz UVKJJFIWFQWIOT-SCRHHBKZSA-N 0 0 659.555 3.910 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408827930 1066217652 /nfs/dbraw/zinc/21/76/52/1066217652.db2.gz VKTSGYBIBWNXHE-AOLPSBPOSA-N 0 0 629.529 3.820 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc(Br)cc1OC ZINC000408827933 1066217609 /nfs/dbraw/zinc/21/76/09/1066217609.db2.gz VKTSGYBIBWNXHE-QDNAUZDWSA-N 0 0 629.529 3.820 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3sccc3Br)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408827944 1066591269 /nfs/dbraw/zinc/59/12/69/1066591269.db2.gz LERJUEDTYJESIB-GTENMVSRSA-N 0 0 503.443 3.931 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3sccc3Br)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408827948 1066591391 /nfs/dbraw/zinc/59/13/91/1066591391.db2.gz LERJUEDTYJESIB-OXRZLYTFSA-N 0 0 503.443 3.931 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000408828397 1066218917 /nfs/dbraw/zinc/21/89/17/1066218917.db2.gz DVHNSLUNWUCKKM-AFHVAHMMSA-N 0 0 652.894 3.990 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000408828404 1066590843 /nfs/dbraw/zinc/59/08/43/1066590843.db2.gz DVHNSLUNWUCKKM-ZRELAVNMSA-N 0 0 652.894 3.990 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408828863 1066590809 /nfs/dbraw/zinc/59/08/09/1066590809.db2.gz MKRYQSHWEBIRHW-QTQKINJDSA-N 0 0 676.529 3.742 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408828867 1066590791 /nfs/dbraw/zinc/59/07/91/1066590791.db2.gz MKRYQSHWEBIRHW-ZKZBLMLZSA-N 0 0 676.529 3.742 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408828884 1066590763 /nfs/dbraw/zinc/59/07/63/1066590763.db2.gz OEDULLONEHZOCB-FJWZAKCXSA-N 0 0 543.041 3.953 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408828894 1066590821 /nfs/dbraw/zinc/59/08/21/1066590821.db2.gz OEDULLONEHZOCB-RQLGBQGVSA-N 0 0 543.041 3.953 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000408828933 1066590895 /nfs/dbraw/zinc/59/08/95/1066590895.db2.gz NHJBILVBBCXPSK-JKALPCAWSA-N 0 0 550.942 3.919 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000408828936 1066218343 /nfs/dbraw/zinc/21/83/43/1066218343.db2.gz NHJBILVBBCXPSK-SQWSFHKJSA-N 0 0 550.942 3.919 40 0 KHABRN CCOC(=O)COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408829027 1066590403 /nfs/dbraw/zinc/59/04/03/1066590403.db2.gz MRSVKMBKDKSIPN-GLSAMTQTSA-N 0 0 555.052 3.702 40 0 KHABRN CCOC(=O)COc1ccc(Cl)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408829034 1066590411 /nfs/dbraw/zinc/59/04/11/1066590411.db2.gz MRSVKMBKDKSIPN-WDONWYDGSA-N 0 0 555.052 3.702 40 0 KHABRN O=c1/c(=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)sc2n1CCN=2 ZINC000408829121 1066590500 /nfs/dbraw/zinc/59/05/00/1066590500.db2.gz NXUUHYVFRNVSCN-XKZIYDEJSA-N 0 0 548.473 3.663 40 0 KHABRN CCOC(=O)COc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408829373 1066590491 /nfs/dbraw/zinc/59/04/91/1066590491.db2.gz FRFKTRBCVXVKBT-GLSAMTQTSA-N 0 0 599.503 3.811 40 0 KHABRN CCOC(=O)COc1ccc(Br)cc1/C=c1\sc2n(c1=O)[C@H](c1ccc(C)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408829377 1066590462 /nfs/dbraw/zinc/59/04/62/1066590462.db2.gz FRFKTRBCVXVKBT-WDONWYDGSA-N 0 0 599.503 3.811 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408829393 1066590472 /nfs/dbraw/zinc/59/04/72/1066590472.db2.gz NVYBXCJNVMBEIK-XSZPGNIMSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408829401 1066590482 /nfs/dbraw/zinc/59/04/82/1066590482.db2.gz NVYBXCJNVMBEIK-XXMKCSCWSA-N 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ZINC000408836314 1066587379 /nfs/dbraw/zinc/58/73/79/1066587379.db2.gz PXAJFMDNGIJBCL-XSZPGNIMSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836315 1066587463 /nfs/dbraw/zinc/58/74/63/1066587463.db2.gz PXAJFMDNGIJBCL-XXMKCSCWSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(Cl)c3)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000408836468 1066587362 /nfs/dbraw/zinc/58/73/62/1066587362.db2.gz RNLZEQSCGICJLO-AGIMELGASA-N 0 0 575.470 3.965 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000408836469 1066218921 /nfs/dbraw/zinc/21/89/21/1066218921.db2.gz RNLZEQSCGICJLO-GAISBVLPSA-N 0 0 575.470 3.965 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408836488 1066587430 /nfs/dbraw/zinc/58/74/30/1066587430.db2.gz RRWJNPSSIRKALW-QKSFETHESA-N 0 0 506.624 3.984 40 0 KHABRN 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0 0 526.998 3.579 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(O)c4)c(=O)n32)cc1 ZINC000408844130 1066591802 /nfs/dbraw/zinc/59/18/02/1066591802.db2.gz CDJOCAIWBXMFOR-CMISJSSVSA-N 0 0 541.629 3.987 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(O)c4)c(=O)n32)cc1 ZINC000408844136 1066591844 /nfs/dbraw/zinc/59/18/44/1066591844.db2.gz CDJOCAIWBXMFOR-DBXPASCUSA-N 0 0 541.629 3.987 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c(OCC(=O)OCC)c1 ZINC000408844227 1066591830 /nfs/dbraw/zinc/59/18/30/1066591830.db2.gz VLRMOAUXFZJAPQ-IHPIMTRISA-N 0 0 697.084 3.878 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C(F)(F)F)N=3)c(OCC(=O)OCC)c1 ZINC000408844236 1066220759 /nfs/dbraw/zinc/22/07/59/1066220759.db2.gz VLRMOAUXFZJAPQ-WAPOMMKJSA-N 0 0 697.084 3.878 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408844414 1066591813 /nfs/dbraw/zinc/59/18/13/1066591813.db2.gz IHWURYOHVOBZJY-QCHPHUCNSA-N 0 0 543.041 3.953 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408844415 1066591877 /nfs/dbraw/zinc/59/18/77/1066591877.db2.gz IHWURYOHVOBZJY-VZIOXZNFSA-N 0 0 543.041 3.953 40 0 KHABRN Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=c3\sc4n(c3=O)CCN=4)o2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000408844871 1066591328 /nfs/dbraw/zinc/59/13/28/1066591328.db2.gz WYYKWTMQCMDWLP-QRVIBDJDSA-N 0 0 562.500 3.971 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408845929 1066591186 /nfs/dbraw/zinc/59/11/86/1066591186.db2.gz NRICLMWHCWGHEM-GVMLUORFSA-N 0 0 552.649 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408845932 1066220873 /nfs/dbraw/zinc/22/08/73/1066220873.db2.gz NRICLMWHCWGHEM-KMBIYUNPSA-N 0 0 552.649 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408847130 1066220674 /nfs/dbraw/zinc/22/06/74/1066220674.db2.gz LRYXUSICNUYHGF-BIWBSIMWSA-N 0 0 564.660 3.910 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408847132 1066593104 /nfs/dbraw/zinc/59/31/04/1066593104.db2.gz LRYXUSICNUYHGF-ZGOFBEGVSA-N 0 0 564.660 3.910 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(O)c4)c(=O)n32)cc1 ZINC000408847241 1066593154 /nfs/dbraw/zinc/59/31/54/1066593154.db2.gz QGBFODQHRYJBHC-FCYPAOMHSA-N 0 0 511.603 3.978 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(O)c4)c(=O)n32)cc1 ZINC000408847245 1066593050 /nfs/dbraw/zinc/59/30/50/1066593050.db2.gz QGBFODQHRYJBHC-KDSDTBODSA-N 0 0 511.603 3.978 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408847456 1066220746 /nfs/dbraw/zinc/22/07/46/1066220746.db2.gz MUJWBTQOQBIPKW-NLZIUFDSSA-N 0 0 552.649 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408847457 1066596158 /nfs/dbraw/zinc/59/61/58/1066596158.db2.gz MUJWBTQOQBIPKW-WLGHQHAYSA-N 0 0 552.649 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408847581 1066596148 /nfs/dbraw/zinc/59/61/48/1066596148.db2.gz NPUVQYONINAQNT-GJFKPFFXSA-N 0 0 520.607 3.511 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408847584 1066190748 /nfs/dbraw/zinc/19/07/48/1066190748.db2.gz NPUVQYONINAQNT-LWUPDDLQSA-N 0 0 520.607 3.511 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4O)c(=O)n32)cc1 ZINC000408847697 1066596298 /nfs/dbraw/zinc/59/62/98/1066596298.db2.gz RCHYZZYYBXGBMK-ASSGYOTOSA-N 0 0 511.603 3.978 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4O)c(=O)n32)cc1 ZINC000408847699 1066596449 /nfs/dbraw/zinc/59/64/49/1066596449.db2.gz RCHYZZYYBXGBMK-OGRZUZBBSA-N 0 0 511.603 3.978 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)o4)c(=O)n32)cc1 ZINC000408849253 1066595690 /nfs/dbraw/zinc/59/56/90/1066595690.db2.gz VSZWFHBWQMQJPK-FGSNJIQSSA-N 0 0 528.634 3.932 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)o4)c(=O)n32)cc1 ZINC000408849257 1066595751 /nfs/dbraw/zinc/59/57/51/1066595751.db2.gz VSZWFHBWQMQJPK-LMTOTAIGSA-N 0 0 528.634 3.932 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408849864 1066595326 /nfs/dbraw/zinc/59/53/26/1066595326.db2.gz ZYBNCVYBBLXWSR-GJFKPFFXSA-N 0 0 520.607 3.511 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408849865 1066595234 /nfs/dbraw/zinc/59/52/34/1066595234.db2.gz ZYBNCVYBBLXWSR-LWUPDDLQSA-N 0 0 520.607 3.511 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408850783 1066595306 /nfs/dbraw/zinc/59/53/06/1066595306.db2.gz RCOOVRCNJRVXPA-GJFKPFFXSA-N 0 0 522.623 3.690 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408850784 1066595316 /nfs/dbraw/zinc/59/53/16/1066595316.db2.gz RCOOVRCNJRVXPA-LWUPDDLQSA-N 0 0 522.623 3.690 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408851120 1066595270 /nfs/dbraw/zinc/59/52/70/1066595270.db2.gz IOPLUWAKFBXUOY-GJFKPFFXSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408851121 1066221712 /nfs/dbraw/zinc/22/17/12/1066221712.db2.gz IOPLUWAKFBXUOY-LWUPDDLQSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408851792 1066595177 /nfs/dbraw/zinc/59/51/77/1066595177.db2.gz GGBAZRUWYSIEHB-LMSRTUJASA-N 0 0 550.633 3.519 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408851794 1066595266 /nfs/dbraw/zinc/59/52/66/1066595266.db2.gz GGBAZRUWYSIEHB-RISWYLRJSA-N 0 0 550.633 3.519 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408852514 1066221247 /nfs/dbraw/zinc/22/12/47/1066221247.db2.gz GVESVZMGNCNBRJ-GJFKPFFXSA-N 0 0 520.607 3.511 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408852515 1066594807 /nfs/dbraw/zinc/59/48/07/1066594807.db2.gz GVESVZMGNCNBRJ-LWUPDDLQSA-N 0 0 520.607 3.511 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(O)cc4)c(=O)n32)cc1 ZINC000408853982 1066222401 /nfs/dbraw/zinc/22/24/01/1066222401.db2.gz UZFPGHQWZIOONB-FCYPAOMHSA-N 0 0 511.603 3.978 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(O)cc4)c(=O)n32)cc1 ZINC000408853983 1066594131 /nfs/dbraw/zinc/59/41/31/1066594131.db2.gz UZFPGHQWZIOONB-KDSDTBODSA-N 0 0 511.603 3.978 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408854011 1066222388 /nfs/dbraw/zinc/22/23/88/1066222388.db2.gz VMFIZIRIDBAUMD-GJFKPFFXSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408854012 1066594554 /nfs/dbraw/zinc/59/45/54/1066594554.db2.gz VMFIZIRIDBAUMD-LWUPDDLQSA-N 0 0 506.624 3.903 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408855399 1066594145 /nfs/dbraw/zinc/59/41/45/1066594145.db2.gz CXIVLVOVEHULMV-FQWZWQHVSA-N 0 0 608.713 3.926 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408855401 1066594138 /nfs/dbraw/zinc/59/41/38/1066594138.db2.gz CXIVLVOVEHULMV-LRUGRNCASA-N 0 0 608.713 3.926 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408855700 1066593523 /nfs/dbraw/zinc/59/35/23/1066593523.db2.gz CNWIHLMFROHICU-DMVFFGLYSA-N 0 0 612.296 3.934 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408855702 1066593652 /nfs/dbraw/zinc/59/36/52/1066593652.db2.gz CNWIHLMFROHICU-RPXHZFJKSA-N 0 0 612.296 3.934 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408855732 1066593553 /nfs/dbraw/zinc/59/35/53/1066593553.db2.gz GXQXWVAUZGECCB-GTWFGUSFSA-N 0 0 536.650 3.993 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408855734 1066593664 /nfs/dbraw/zinc/59/36/64/1066593664.db2.gz GXQXWVAUZGECCB-SJJVXOANSA-N 0 0 536.650 3.993 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000408855779 1066593499 /nfs/dbraw/zinc/59/34/99/1066593499.db2.gz DQNXUXQQQVQUHM-IMEWXKHHSA-N 0 0 667.376 3.762 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000408855780 1066593588 /nfs/dbraw/zinc/59/35/88/1066593588.db2.gz DQNXUXQQQVQUHM-WVWKGNOCSA-N 0 0 667.376 3.762 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000408856005 1066593457 /nfs/dbraw/zinc/59/34/57/1066593457.db2.gz PBCORVJQKMHUFT-QKSFETHESA-N 0 0 506.624 3.984 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000408856007 1066223226 /nfs/dbraw/zinc/22/32/26/1066223226.db2.gz PBCORVJQKMHUFT-ZDQFFALBSA-N 0 0 506.624 3.984 40 0 KHABRN Cc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1C ZINC000408856336 1066593684 /nfs/dbraw/zinc/59/36/84/1066593684.db2.gz FVECAPXVSHIZLJ-XSZPGNIMSA-N 0 0 500.599 3.968 40 0 KHABRN Cc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(C)n1C ZINC000408856339 1066593488 /nfs/dbraw/zinc/59/34/88/1066593488.db2.gz FVECAPXVSHIZLJ-XXMKCSCWSA-N 0 0 500.599 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408857044 1066222354 /nfs/dbraw/zinc/22/23/54/1066222354.db2.gz JGKAIDGWGUVTGE-DMVFFGLYSA-N 0 0 612.296 3.934 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408857047 1066593511 /nfs/dbraw/zinc/59/35/11/1066593511.db2.gz JGKAIDGWGUVTGE-RPXHZFJKSA-N 0 0 612.296 3.934 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)sc2=N1 ZINC000408857208 1066593572 /nfs/dbraw/zinc/59/35/72/1066593572.db2.gz JXTBIGOLNIRIJB-ABBNRAPFSA-N 0 0 558.704 3.892 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(=O)/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)sc2=N1 ZINC000408857216 1066593611 /nfs/dbraw/zinc/59/36/11/1066593611.db2.gz JXTBIGOLNIRIJB-CSJROMOCSA-N 0 0 558.704 3.892 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000408857995 1066222429 /nfs/dbraw/zinc/22/24/29/1066222429.db2.gz ICXLTHLGNPRPMR-BXBHGGAKSA-N 0 0 629.270 3.767 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408857998 1066598216 /nfs/dbraw/zinc/59/82/16/1066598216.db2.gz ICXLTHLGNPRPMR-GANRHZMWSA-N 0 0 629.270 3.767 40 0 KHABRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)sc2=N1 ZINC000408858094 1066222152 /nfs/dbraw/zinc/22/21/52/1066222152.db2.gz JMGCKNZZQOTHFW-MKWGYRPRSA-N 0 0 570.074 3.718 40 0 KHABRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)sc2=N1 ZINC000408858095 1066598077 /nfs/dbraw/zinc/59/80/77/1066598077.db2.gz JMGCKNZZQOTHFW-OCEWKHMESA-N 0 0 570.074 3.718 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(C)c4C)c(=O)n32)c1 ZINC000408858334 1066598111 /nfs/dbraw/zinc/59/81/11/1066598111.db2.gz OLDZJHXYTRKFMR-MKWGYRPRSA-N 0 0 512.635 3.838 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(C)c4C)c(=O)n32)c1 ZINC000408858340 1066598089 /nfs/dbraw/zinc/59/80/89/1066598089.db2.gz OLDZJHXYTRKFMR-OCEWKHMESA-N 0 0 512.635 3.838 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(Br)c(N(C)C)o3)sc2=N1 ZINC000408858715 1066597781 /nfs/dbraw/zinc/59/77/81/1066597781.db2.gz LGYMUAKTACKFDL-FNUHDPNESA-N 0 0 588.480 3.729 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3cc(Br)c(N(C)C)o3)sc2=N1 ZINC000408858718 1066222284 /nfs/dbraw/zinc/22/22/84/1066222284.db2.gz LGYMUAKTACKFDL-PZDOZLBDSA-N 0 0 588.480 3.729 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(Br)c(N4CCOCC4)o3)sc2=N1 ZINC000408859215 1066597740 /nfs/dbraw/zinc/59/77/40/1066597740.db2.gz QYADDVMOULBFDI-GOOXQAOHSA-N 0 0 616.534 3.779 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3cc(Br)c(N4CCOCC4)o3)sc2=N1 ZINC000408859216 1066597698 /nfs/dbraw/zinc/59/76/98/1066597698.db2.gz QYADDVMOULBFDI-KZVLXBEFSA-N 0 0 616.534 3.779 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1 ZINC000408859573 1066597708 /nfs/dbraw/zinc/59/77/08/1066597708.db2.gz YICZFBLKJMYMIQ-LMKKRCETSA-N 0 0 570.671 3.702 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1 ZINC000408859577 1066597716 /nfs/dbraw/zinc/59/77/16/1066597716.db2.gz YICZFBLKJMYMIQ-YMWOEAMWSA-N 0 0 570.671 3.702 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408860252 1066597345 /nfs/dbraw/zinc/59/73/45/1066597345.db2.gz XICGIBZBRBCWRU-BXBHGGAKSA-N 0 0 582.270 3.925 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408860253 1066597169 /nfs/dbraw/zinc/59/71/69/1066597169.db2.gz XICGIBZBRBCWRU-GANRHZMWSA-N 0 0 582.270 3.925 40 0 KHABRN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000408860330 1066597179 /nfs/dbraw/zinc/59/71/79/1066597179.db2.gz YYCDDBQBEJVWCB-GDLZYMKVSA-N 0 0 591.711 3.968 40 0 KHABRN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000408860331 1066597746 /nfs/dbraw/zinc/59/77/46/1066597746.db2.gz YYCDDBQBEJVWCB-LJAQVGFWSA-N 0 0 591.711 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000408860957 1066597250 /nfs/dbraw/zinc/59/72/50/1066597250.db2.gz JLDXJVKLHPCZFN-DMVFFGLYSA-N 0 0 659.296 3.776 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000408860958 1066597309 /nfs/dbraw/zinc/59/73/09/1066597309.db2.gz JLDXJVKLHPCZFN-RPXHZFJKSA-N 0 0 659.296 3.776 40 0 KHABRN COc1ccccc1N1CCN(Cc2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000408861010 1066597394 /nfs/dbraw/zinc/59/73/94/1066597394.db2.gz KTZBQTULZXUTMR-UHFFFAOYSA-N 0 0 500.643 3.988 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(Br)c(N4CCOCC4)o3)sc2=N1 ZINC000408861382 1066597192 /nfs/dbraw/zinc/59/71/92/1066597192.db2.gz RGDLJGBLEYKDLA-GOOXQAOHSA-N 0 0 616.534 3.779 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3cc(Br)c(N4CCOCC4)o3)sc2=N1 ZINC000408861383 1066597334 /nfs/dbraw/zinc/59/73/34/1066597334.db2.gz RGDLJGBLEYKDLA-KZVLXBEFSA-N 0 0 616.534 3.779 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)sc2=N1 ZINC000408861717 1066597275 /nfs/dbraw/zinc/59/72/75/1066597275.db2.gz BWSUJTDFDWNUBD-FJSZTYFPSA-N 0 0 596.709 3.931 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc32)n2c(=O)/c(=C\c3ccc4c(c3)n(C)c(=O)n4C)sc2=N1 ZINC000408861718 1066597320 /nfs/dbraw/zinc/59/73/20/1066597320.db2.gz BWSUJTDFDWNUBD-KEBLUXQBSA-N 0 0 596.709 3.931 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408861754 1066597360 /nfs/dbraw/zinc/59/73/60/1066597360.db2.gz AEYIKODIBBHNGT-OXIKZWMZSA-N 0 0 527.646 3.900 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408861755 1066597263 /nfs/dbraw/zinc/59/72/63/1066597263.db2.gz AEYIKODIBBHNGT-QEYQTOMISA-N 0 0 527.646 3.900 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408861808 1066597204 /nfs/dbraw/zinc/59/72/04/1066597204.db2.gz ASEXFVCNMHWQMB-IMEWXKHHSA-N 0 0 590.496 3.627 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408861811 1066597240 /nfs/dbraw/zinc/59/72/40/1066597240.db2.gz ASEXFVCNMHWQMB-WVWKGNOCSA-N 0 0 590.496 3.627 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408861830 1066597228 /nfs/dbraw/zinc/59/72/28/1066597228.db2.gz GDTNRRYLYTXSLN-OVBPWOOMSA-N 0 0 574.497 3.533 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408861833 1066223150 /nfs/dbraw/zinc/22/31/50/1066223150.db2.gz GDTNRRYLYTXSLN-VANJFMAXSA-N 0 0 574.497 3.533 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408862062 1066597159 /nfs/dbraw/zinc/59/71/59/1066597159.db2.gz WTOGALPSFSRRSV-DMVFFGLYSA-N 0 0 659.296 3.776 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408862064 1066223013 /nfs/dbraw/zinc/22/30/13/1066223013.db2.gz WTOGALPSFSRRSV-RPXHZFJKSA-N 0 0 659.296 3.776 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408862303 1066596812 /nfs/dbraw/zinc/59/68/12/1066596812.db2.gz FDFDHZSYYVABBH-DBLMTGOPSA-N 0 0 557.672 3.908 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408862310 1066596796 /nfs/dbraw/zinc/59/67/96/1066596796.db2.gz FDFDHZSYYVABBH-GKKFRVOYSA-N 0 0 557.672 3.908 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408862340 1066596875 /nfs/dbraw/zinc/59/68/75/1066596875.db2.gz FHKKZHMBIJXUDH-RJFKIUDMSA-N 0 0 515.635 3.915 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408862346 1066597288 /nfs/dbraw/zinc/59/72/88/1066597288.db2.gz FHKKZHMBIJXUDH-WPUHHHFCSA-N 0 0 515.635 3.915 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408862779 1066223134 /nfs/dbraw/zinc/22/31/34/1066223134.db2.gz MBSWARHUGVQGDJ-IUYQLWOBSA-N 0 0 599.244 3.758 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(I)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408862780 1066596937 /nfs/dbraw/zinc/59/69/37/1066596937.db2.gz MBSWARHUGVQGDJ-OBHPCNEJSA-N 0 0 599.244 3.758 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000408862929 1066596913 /nfs/dbraw/zinc/59/69/13/1066596913.db2.gz JKJWNYBMBZCZGL-BXBHGGAKSA-N 0 0 582.270 3.925 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(Br)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408862932 1066222863 /nfs/dbraw/zinc/22/28/63/1066222863.db2.gz JKJWNYBMBZCZGL-GANRHZMWSA-N 0 0 582.270 3.925 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408862953 1066596888 /nfs/dbraw/zinc/59/68/88/1066596888.db2.gz JOGIMNDMZWICIE-HHHXNRCGSA-N 0 0 537.663 3.734 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000408862955 1066223039 /nfs/dbraw/zinc/22/30/39/1066223039.db2.gz JOGIMNDMZWICIE-MHZLTWQESA-N 0 0 537.663 3.734 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408863036 1066596787 /nfs/dbraw/zinc/59/67/87/1066596787.db2.gz ONKFSOBMCYOQBQ-KAPURRDVSA-N 0 0 507.406 3.761 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408863041 1066596775 /nfs/dbraw/zinc/59/67/75/1066596775.db2.gz ONKFSOBMCYOQBQ-SPQRHKFCSA-N 0 0 507.406 3.761 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408863183 1066596754 /nfs/dbraw/zinc/59/67/54/1066596754.db2.gz QANYQGTUXUAICR-DIXABZHVSA-N 0 0 622.625 3.693 40 0 KHABRN CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C/c3ccc4c(c3)n(C)c(=O)n4C)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408863186 1066596923 /nfs/dbraw/zinc/59/69/23/1066596923.db2.gz QANYQGTUXUAICR-WNRWPCNTSA-N 0 0 622.625 3.693 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C\c3cc(Br)c(N4CCOCC4)o3)sc2=N1 ZINC000408863317 1066596824 /nfs/dbraw/zinc/59/68/24/1066596824.db2.gz LUQDWPRZPJKYNO-CKNGIZQFSA-N 0 0 592.537 3.832 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C\c3cc(Br)c(N4CCOCC4)o3)sc2=N1 ZINC000408863320 1066596863 /nfs/dbraw/zinc/59/68/63/1066596863.db2.gz LUQDWPRZPJKYNO-CURYZJDOSA-N 0 0 592.537 3.832 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(N(C)C)o4)c(=O)n32)cc1 ZINC000408863500 1066223085 /nfs/dbraw/zinc/22/30/85/1066223085.db2.gz SHFYUYIWADNYDD-PRWBYUBPSA-N 0 0 560.470 3.617 40 0 KHABRN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(Br)c(N(C)C)o4)c(=O)n32)cc1 ZINC000408863504 1066223243 /nfs/dbraw/zinc/22/32/43/1066223243.db2.gz SHFYUYIWADNYDD-SRKIZSPNSA-N 0 0 560.470 3.617 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCCCC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408863693 1066190771 /nfs/dbraw/zinc/19/07/71/1066190771.db2.gz QBCGBVHLIBITFU-FJWZAKCXSA-N 0 0 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CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408913925 1066606688 /nfs/dbraw/zinc/60/66/88/1066606688.db2.gz VGVAAHCJUJHUJA-DBLMTGOPSA-N 0 0 624.712 3.546 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408913927 1066606862 /nfs/dbraw/zinc/60/68/62/1066606862.db2.gz VGVAAHCJUJHUJA-GKKFRVOYSA-N 0 0 624.712 3.546 40 0 KHABRN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000408913942 1066606638 /nfs/dbraw/zinc/60/66/38/1066606638.db2.gz VJGULRJZMGOUKY-UHFFFAOYSA-N 0 0 520.460 3.573 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1cccc(OC)c1OCC ZINC000408914141 1066606715 /nfs/dbraw/zinc/60/67/15/1066606715.db2.gz VRRIJCIIVQMDOK-IMEWXKHHSA-N 0 0 531.005 3.998 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1cccc(OC)c1OCC ZINC000408914142 1066606661 /nfs/dbraw/zinc/60/66/61/1066606661.db2.gz VRRIJCIIVQMDOK-WVWKGNOCSA-N 0 0 531.005 3.998 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QKGFFOAULCZRHT-NVINZXKXSA-N 0 0 574.680 3.939 40 0 KHABRN O=C1NC(=O)/C(=C\c2cc(I)c(OCc3ccccc3)c(I)c2)N1 ZINC000408916330 1066606233 /nfs/dbraw/zinc/60/62/33/1066606233.db2.gz CAPCTEABRLRKPB-RIYZIHGNSA-N 0 0 546.102 3.655 40 0 KHABRN COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(Br)c(Br)c1OC(C)=O ZINC000408916458 1066606213 /nfs/dbraw/zinc/60/62/13/1066606213.db2.gz CPRLAGBYHYGBAL-ZSOIEALJSA-N 0 0 524.190 3.916 40 0 KHABRN CC(=O)Oc1c(I)cc(Br)cc1/C=c1/sc2nc3ccccc3n2c1=O ZINC000408916973 1066606114 /nfs/dbraw/zinc/60/61/14/1066606114.db2.gz JVIFBHNMODFWCA-VIZOYTHASA-N 0 0 541.164 3.749 40 0 KHABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OC)c(I)c2)C1=O ZINC000408917133 1066327519 /nfs/dbraw/zinc/32/75/19/1066327519.db2.gz NIAWLUCVYSRDIL-IZZDOVSWSA-N 0 0 573.146 3.504 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1cccc2ccccc21 ZINC000408917682 1066613245 /nfs/dbraw/zinc/61/32/45/1066613245.db2.gz AAUVNIRQEKRHBA-GTWFGUSFSA-N 0 0 514.603 3.969 40 0 KHABRN 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1cccc2ccccc21 ZINC000408919668 1066228760 /nfs/dbraw/zinc/22/87/60/1066228760.db2.gz ZZDJQIORCLUSDA-QFDNUGPTSA-N 0 0 542.613 3.503 40 0 KHABRN CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408919937 1066612011 /nfs/dbraw/zinc/61/20/11/1066612011.db2.gz FNTCOMPZWPFMNZ-FQWZWQHVSA-N 0 0 586.666 3.902 40 0 KHABRN CCOC(=O)COc1ccc2ccccc2c1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(C)N=2 ZINC000408919938 1066612082 /nfs/dbraw/zinc/61/20/82/1066612082.db2.gz FNTCOMPZWPFMNZ-LRUGRNCASA-N 0 0 586.666 3.902 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408919941 1066612094 /nfs/dbraw/zinc/61/20/94/1066612094.db2.gz FOGRWXURHUIAMT-DKOMQPSQSA-N 0 0 603.093 3.885 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408919942 1066612023 /nfs/dbraw/zinc/61/20/23/1066612023.db2.gz FOGRWXURHUIAMT-IZBTWGKQSA-N 0 0 603.093 3.885 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408919949 1066612701 /nfs/dbraw/zinc/61/27/01/1066612701.db2.gz FREKMFCSKZXRSO-LMSRTUJASA-N 0 0 561.660 3.799 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408919950 1066612704 /nfs/dbraw/zinc/61/27/04/1066612704.db2.gz FREKMFCSKZXRSO-RISWYLRJSA-N 0 0 561.660 3.799 40 0 KHABRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1O ZINC000408919966 1066612658 /nfs/dbraw/zinc/61/26/58/1066612658.db2.gz FVDFLVBBFPMEAV-QCHPHUCNSA-N 0 0 510.637 3.623 40 0 KHABRN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)ccc1O ZINC000408919967 1066228803 /nfs/dbraw/zinc/22/88/03/1066228803.db2.gz FVDFLVBBFPMEAV-VZIOXZNFSA-N 0 0 510.637 3.623 40 0 KHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)cc1 ZINC000408920179 1066229637 /nfs/dbraw/zinc/22/96/37/1066229637.db2.gz AHVXYHJCTOZFFD-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000408920223 1066611997 /nfs/dbraw/zinc/61/19/97/1066611997.db2.gz BTBLDBGWLKWDOQ-UHFFFAOYSA-N 0 0 517.629 3.518 40 0 KHABRN COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408920234 1066611890 /nfs/dbraw/zinc/61/18/90/1066611890.db2.gz CKNSXOMHPNDXCD-UHFFFAOYSA-N 0 0 512.584 3.941 40 0 KHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 ZINC000408920263 1066612061 /nfs/dbraw/zinc/61/20/61/1066612061.db2.gz DUVDKEGPVBVTJW-IBGZPJMESA-N 0 0 531.656 3.906 40 0 KHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)cc1 ZINC000408920264 1066612030 /nfs/dbraw/zinc/61/20/30/1066612030.db2.gz DUVDKEGPVBVTJW-LJQANCHMSA-N 0 0 531.656 3.906 40 0 KHABRN O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000408920267 1066612101 /nfs/dbraw/zinc/61/21/01/1066612101.db2.gz FANSTRXVNURXJG-UHFFFAOYSA-N 0 0 522.608 3.716 40 0 KHABRN COc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408920270 1066612086 /nfs/dbraw/zinc/61/20/86/1066612086.db2.gz FBTVDQZTJFKRLR-UHFFFAOYSA-N 0 0 504.630 3.850 40 0 KHABRN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O ZINC000408920374 1066229766 /nfs/dbraw/zinc/22/97/66/1066229766.db2.gz FGMCUUWJWVXQBY-UHFFFAOYSA-N 0 0 508.021 3.854 40 0 KHABRN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)S(C)(=O)=O)cc1Cl ZINC000408920384 1066612115 /nfs/dbraw/zinc/61/21/15/1066612115.db2.gz FPELKVYYXQDZJA-UHFFFAOYSA-N 0 0 538.047 3.863 40 0 KHABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)c(C)c1 ZINC000408920574 1066611527 /nfs/dbraw/zinc/61/15/27/1066611527.db2.gz IZCYNYYOKHHECZ-UHFFFAOYSA-N 0 0 505.593 3.648 40 0 KHABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000408920644 1066611453 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VHRQUKJMXVYHKU-RLFCKUQXSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408928055 1066613753 /nfs/dbraw/zinc/61/37/53/1066613753.db2.gz VHRQUKJMXVYHKU-XQAWFANUSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000408928074 1066232936 /nfs/dbraw/zinc/23/29/36/1066232936.db2.gz VSFRLORWSFBCKL-GJFKPFFXSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000408928075 1066613785 /nfs/dbraw/zinc/61/37/85/1066613785.db2.gz VSFRLORWSFBCKL-LWUPDDLQSA-N 0 0 522.623 3.603 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3ccccc3OCC(=O)OCC)sc2=N1 ZINC000408928115 1066613811 /nfs/dbraw/zinc/61/38/11/1066613811.db2.gz ZPPVQTWLTDHRTH-VEOZPNHKSA-N 0 0 564.660 3.529 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3ccccc3OCC(=O)OCC)sc2=N1 ZINC000408928116 1066233453 /nfs/dbraw/zinc/23/34/53/1066233453.db2.gz ZPPVQTWLTDHRTH-ZEKHAJRLSA-N 0 0 564.660 3.529 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408928194 1066613775 /nfs/dbraw/zinc/61/37/75/1066613775.db2.gz XBXFFDWDPGFPQD-QARYAGPDSA-N 0 0 582.675 3.622 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408928195 1066613815 /nfs/dbraw/zinc/61/38/15/1066613815.db2.gz XBXFFDWDPGFPQD-ZSJKCPIUSA-N 0 0 582.675 3.622 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408928282 1066613825 /nfs/dbraw/zinc/61/38/25/1066613825.db2.gz ZDTZTANZCUTFFJ-JDKSNUEYSA-N 0 0 612.660 3.606 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000408928283 1066613761 /nfs/dbraw/zinc/61/37/61/1066613761.db2.gz ZDTZTANZCUTFFJ-MHRPSJHKSA-N 0 0 612.660 3.606 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408928289 1066233297 /nfs/dbraw/zinc/23/32/97/1066233297.db2.gz ZFUZMSQNVUQFEM-GLSAMTQTSA-N 0 0 555.052 3.782 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408928290 1066613769 /nfs/dbraw/zinc/61/37/69/1066613769.db2.gz ZFUZMSQNVUQFEM-WDONWYDGSA-N 0 0 555.052 3.782 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3cc(Cl)ccc3OC)sc2=N1 ZINC000408928291 1066613818 /nfs/dbraw/zinc/61/38/18/1066613818.db2.gz ZGSPPQBRUGEVDM-MFUBYVTQSA-N 0 0 541.025 3.969 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C/c3cc(Cl)ccc3OC)sc2=N1 ZINC000408928292 1066233362 /nfs/dbraw/zinc/23/33/62/1066233362.db2.gz ZGSPPQBRUGEVDM-RWTNITNYSA-N 0 0 541.025 3.969 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000408928304 1066613764 /nfs/dbraw/zinc/61/37/64/1066613764.db2.gz ZNXQQEOKUUMCRV-FQWPPLDYSA-N 0 0 524.664 3.928 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000408928305 1066233526 /nfs/dbraw/zinc/23/35/26/1066233526.db2.gz ZNXQQEOKUUMCRV-RNHBDSLOSA-N 0 0 524.664 3.928 40 0 KHABRN COC(=O)COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1Br ZINC000408928811 1066613820 /nfs/dbraw/zinc/61/38/20/1066613820.db2.gz KILQGTOTFPPWKR-CXUHLZMHSA-N 0 0 524.165 3.856 40 0 KHABRN COC(=O)COc1ccc(Br)cc1/C=C1/NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000408929306 1066233326 /nfs/dbraw/zinc/23/33/26/1066233326.db2.gz VWNRKNZWAYRFTI-CXUHLZMHSA-N 0 0 524.165 3.856 40 0 KHABRN COC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000408929430 1066613203 /nfs/dbraw/zinc/61/32/03/1066613203.db2.gz JNFRAXQEYPTPRV-FRKPEAEDSA-N 0 0 554.191 3.865 40 0 KHABRN COC(=O)COc1c(I)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC ZINC000408930468 1066233342 /nfs/dbraw/zinc/23/33/42/1066233342.db2.gz XLWSBOZWRUJOTR-LZYBPNLTSA-N 0 0 601.191 3.707 40 0 KHABRN COC(=O)COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000408930936 1066233470 /nfs/dbraw/zinc/23/34/70/1066233470.db2.gz FBONWMZFXKVWIM-ZDLGFXPLSA-N 0 0 596.399 3.835 40 0 KHABRN COC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000408931007 1066233489 /nfs/dbraw/zinc/23/34/89/1066233489.db2.gz FYYDFBXLUYRNLU-ZDLGFXPLSA-N 0 0 549.399 3.993 40 0 KHABRN COC(=O)COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O ZINC000408931028 1066613156 /nfs/dbraw/zinc/61/31/56/1066613156.db2.gz GFURXOGVEXNSBA-MFOYZWKCSA-N 0 0 523.336 3.815 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408931964 1066618716 /nfs/dbraw/zinc/61/87/16/1066618716.db2.gz AGGYZIMPUQCFNX-HIFDDZRDSA-N 0 0 573.465 3.587 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408931965 1066618788 /nfs/dbraw/zinc/61/87/88/1066618788.db2.gz AGGYZIMPUQCFNX-TYBHGIAWSA-N 0 0 573.465 3.587 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n32)cc1OCC ZINC000408931967 1066235526 /nfs/dbraw/zinc/23/55/26/1066235526.db2.gz AHAXLEQGIZMSIE-PKZJLGKPSA-N 0 0 732.334 3.730 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)cc(I)c4O)c(=O)n32)cc1OCC ZINC000408931968 1066618793 /nfs/dbraw/zinc/61/87/93/1066618793.db2.gz AHAXLEQGIZMSIE-UYNZCYITSA-N 0 0 732.334 3.730 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(C)C)cc4)c(=O)n32)cc1OCC ZINC000408931994 1066235663 /nfs/dbraw/zinc/23/56/63/1066235663.db2.gz AOLOZYLITYCNOW-CBRVFMNDSA-N 0 0 536.650 3.850 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(C)C)cc4)c(=O)n32)cc1OCC ZINC000408931995 1066235750 /nfs/dbraw/zinc/23/57/50/1066235750.db2.gz AOLOZYLITYCNOW-NTZQMJGNSA-N 0 0 536.650 3.850 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4O)c(=O)n32)cc1OCC ZINC000408932192 1066618160 /nfs/dbraw/zinc/61/81/60/1066618160.db2.gz BNFVNOKXPNHLSL-FSBBIFGZSA-N 0 0 685.334 3.888 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(I)c4O)c(=O)n32)cc1OCC ZINC000408932193 1066618108 /nfs/dbraw/zinc/61/81/08/1066618108.db2.gz BNFVNOKXPNHLSL-QWTUVSAPSA-N 0 0 685.334 3.888 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408932206 1066618199 /nfs/dbraw/zinc/61/81/99/1066618199.db2.gz BOMWNWSMYUTYPW-QJWUKVPRSA-N 0 0 804.397 3.577 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408932208 1066618154 /nfs/dbraw/zinc/61/81/54/1066618154.db2.gz BOMWNWSMYUTYPW-ZYDFGXJWSA-N 0 0 804.397 3.577 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932255 1066235553 /nfs/dbraw/zinc/23/55/53/1066235553.db2.gz BSCYBKYVJCBMTF-GSFLASDGSA-N 0 0 603.491 3.595 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932258 1066618029 /nfs/dbraw/zinc/61/80/29/1066618029.db2.gz BSCYBKYVJCBMTF-PKGQOAHCSA-N 0 0 603.491 3.595 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932746 1066618196 /nfs/dbraw/zinc/61/81/96/1066618196.db2.gz DVGMBQCFQSOBQV-JDQXFBDKSA-N 0 0 664.518 3.827 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OCC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932749 1066618082 /nfs/dbraw/zinc/61/80/82/1066618082.db2.gz DVGMBQCFQSOBQV-NXAROGRYSA-N 0 0 664.518 3.827 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(I)c4O)c(=O)n32)cc1OCC ZINC000408932755 1066618203 /nfs/dbraw/zinc/61/82/03/1066618203.db2.gz DVVBRBXKQLZIDA-PKZJLGKPSA-N 0 0 640.883 3.779 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(I)c4O)c(=O)n32)cc1OCC ZINC000408932757 1066618042 /nfs/dbraw/zinc/61/80/42/1066618042.db2.gz DVVBRBXKQLZIDA-UYNZCYITSA-N 0 0 640.883 3.779 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932884 1066618073 /nfs/dbraw/zinc/61/80/73/1066618073.db2.gz FLGXVTZETSWHIF-HYIDZWCSSA-N 0 0 573.067 3.876 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932885 1066618176 /nfs/dbraw/zinc/61/81/76/1066618176.db2.gz FLGXVTZETSWHIF-XKKBFUJGSA-N 0 0 573.067 3.876 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932917 1066191493 /nfs/dbraw/zinc/19/14/93/1066191493.db2.gz FSBIYKKPROBZRT-HYIDZWCSSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC)c(OC)c4)c(=O)n32)cc1OCC ZINC000408932918 1066233221 /nfs/dbraw/zinc/23/32/21/1066233221.db2.gz FSBIYKKPROBZRT-XKKBFUJGSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408932936 1066233552 /nfs/dbraw/zinc/23/35/52/1066233552.db2.gz FUMRJPJNFPUZFQ-HIFDDZRDSA-N 0 0 603.491 3.682 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408932937 1066233234 /nfs/dbraw/zinc/23/32/34/1066233234.db2.gz FUMRJPJNFPUZFQ-TYBHGIAWSA-N 0 0 603.491 3.682 40 0 KHABRN COC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1OC ZINC000408933131 1066233891 /nfs/dbraw/zinc/23/38/91/1066233891.db2.gz HUEHEQXPGHTUKN-MFOYZWKCSA-N 0 0 553.362 3.824 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n32)cc1OCC ZINC000408933182 1066618192 /nfs/dbraw/zinc/61/81/92/1066618192.db2.gz IEQUFJMPQCCKDV-KXERKJKRSA-N 0 0 506.624 3.939 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n32)cc1OCC ZINC000408933183 1066618130 /nfs/dbraw/zinc/61/81/30/1066618130.db2.gz IEQUFJMPQCCKDV-RVEICJNFSA-N 0 0 506.624 3.939 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933265 1066617535 /nfs/dbraw/zinc/61/75/35/1066617535.db2.gz ADTFEKODBJUGNK-JYWRCUDFSA-N 0 0 533.831 3.833 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933266 1066191741 /nfs/dbraw/zinc/19/17/41/1066191741.db2.gz ADTFEKODBJUGNK-JZVSFUAJSA-N 0 0 533.831 3.833 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408933279 1066617630 /nfs/dbraw/zinc/61/76/30/1066617630.db2.gz AGNGVELSBRLKJD-GSFLASDGSA-N 0 0 650.491 3.524 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408933280 1066617621 /nfs/dbraw/zinc/61/76/21/1066617621.db2.gz AGNGVELSBRLKJD-PKGQOAHCSA-N 0 0 650.491 3.524 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933299 1066617605 /nfs/dbraw/zinc/61/76/05/1066617605.db2.gz AKAZCAWRRZOBHV-JUTHHCEFSA-N 0 0 513.015 3.857 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933300 1066233910 /nfs/dbraw/zinc/23/39/10/1066233910.db2.gz AKAZCAWRRZOBHV-VVOOWDFBSA-N 0 0 513.015 3.857 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933494 1066617548 /nfs/dbraw/zinc/61/75/48/1066617548.db2.gz BAYGRJREIRIGST-BYHQVZLYSA-N 0 0 549.432 3.741 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933497 1066617576 /nfs/dbraw/zinc/61/75/76/1066617576.db2.gz BAYGRJREIRIGST-LYFUXTGPSA-N 0 0 549.432 3.741 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408933624 1066617595 /nfs/dbraw/zinc/61/75/95/1066617595.db2.gz BPXRXGSKWMORRC-BFHGZXLWSA-N 0 0 549.830 3.538 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408933626 1066234262 /nfs/dbraw/zinc/23/42/62/1066234262.db2.gz BPXRXGSKWMORRC-FUJWGRRUSA-N 0 0 549.830 3.538 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408933629 1066617625 /nfs/dbraw/zinc/61/76/25/1066617625.db2.gz BQCUUQCZOBCRME-JDQXFBDKSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408933632 1066617582 /nfs/dbraw/zinc/61/75/82/1066617582.db2.gz BQCUUQCZOBCRME-NXAROGRYSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)[nH]c5ccccc54)c(=O)n32)cc1OCC ZINC000408933703 1066617554 /nfs/dbraw/zinc/61/75/54/1066617554.db2.gz KFKGCHMFUTXFRX-KXERKJKRSA-N 0 0 517.607 3.605 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)[nH]c5ccccc54)c(=O)n32)cc1OCC ZINC000408933704 1066617543 /nfs/dbraw/zinc/61/75/43/1066617543.db2.gz KFKGCHMFUTXFRX-RVEICJNFSA-N 0 0 517.607 3.605 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3O)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408933756 1066617588 /nfs/dbraw/zinc/61/75/88/1066617588.db2.gz ABYNNWGJMDMCPJ-JUTHHCEFSA-N 0 0 634.492 3.904 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408933759 1066617628 /nfs/dbraw/zinc/61/76/28/1066617628.db2.gz ABYNNWGJMDMCPJ-VVOOWDFBSA-N 0 0 634.492 3.904 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4OC(C)C)c(=O)n32)cc1OCC ZINC000408933977 1066233927 /nfs/dbraw/zinc/23/39/27/1066233927.db2.gz CAMLENDZLQHOLC-JIOFHBDDSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccccc4OC(C)C)c(=O)n32)cc1OCC ZINC000408933978 1066615088 /nfs/dbraw/zinc/61/50/88/1066615088.db2.gz CAMLENDZLQHOLC-VVIXHQMUSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933979 1066615051 /nfs/dbraw/zinc/61/50/51/1066615051.db2.gz CAVXAUQFLRKWGW-RLMQVFMBSA-N 0 0 631.501 3.512 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC(C)=O)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933980 1066615078 /nfs/dbraw/zinc/61/50/78/1066615078.db2.gz CAVXAUQFLRKWGW-VWHXEVSBSA-N 0 0 631.501 3.512 40 0 KHABRN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408934017 1066615049 /nfs/dbraw/zinc/61/50/49/1066615049.db2.gz CFXLMCOBBFXBPG-JUTHHCEFSA-N 0 0 557.466 3.967 40 0 KHABRN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000408934019 1066615082 /nfs/dbraw/zinc/61/50/82/1066615082.db2.gz CFXLMCOBBFXBPG-VVOOWDFBSA-N 0 0 557.466 3.967 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OC(C)=O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408934089 1066234127 /nfs/dbraw/zinc/23/41/27/1066234127.db2.gz CODGVBPQJZYVKW-JMROEOJKSA-N 0 0 692.528 3.744 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(I)c(OC(C)=O)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408934091 1066615083 /nfs/dbraw/zinc/61/50/83/1066615083.db2.gz CODGVBPQJZYVKW-NLSXYFQYSA-N 0 0 692.528 3.744 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)OC)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408934626 1066616861 /nfs/dbraw/zinc/61/68/61/1066616861.db2.gz MANHRTDFVFHNCT-QJWUKVPRSA-N 0 0 621.495 3.674 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)OC)c(Cl)c4)c(=O)n32)cc1OCC ZINC000408934632 1066616845 /nfs/dbraw/zinc/61/68/45/1066616845.db2.gz MANHRTDFVFHNCT-ZYDFGXJWSA-N 0 0 621.495 3.674 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408934688 1066616944 /nfs/dbraw/zinc/61/69/44/1066616944.db2.gz MEVPKMAJTDFOEE-QJWUKVPRSA-N 0 0 665.946 3.783 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408934695 1066235066 /nfs/dbraw/zinc/23/50/66/1066235066.db2.gz MEVPKMAJTDFOEE-ZYDFGXJWSA-N 0 0 665.946 3.783 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)ccc4OC)c(=O)n32)cc1OCC ZINC000408934711 1066616931 /nfs/dbraw/zinc/61/69/31/1066616931.db2.gz CUZLKSYEWVKFCP-CXSSSTRGSA-N 0 0 573.465 3.587 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)ccc4OC)c(=O)n32)cc1OCC ZINC000408934715 1066616911 /nfs/dbraw/zinc/61/69/11/1066616911.db2.gz CUZLKSYEWVKFCP-YQZDYSOMSA-N 0 0 573.465 3.587 40 0 KHABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408935145 1066235116 /nfs/dbraw/zinc/23/51/16/1066235116.db2.gz MRNXLSATSCEFAB-HYIDZWCSSA-N 0 0 587.492 3.977 40 0 KHABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408935147 1066234654 /nfs/dbraw/zinc/23/46/54/1066234654.db2.gz MRNXLSATSCEFAB-XKKBFUJGSA-N 0 0 587.492 3.977 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OC)cc4OC)c(=O)n32)cc1OCC ZINC000408935271 1066234709 /nfs/dbraw/zinc/23/47/09/1066234709.db2.gz NCXMMFIVTLRZCG-PCZPJENVSA-N 0 0 603.491 3.595 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OC)cc4OC)c(=O)n32)cc1OCC ZINC000408935273 1066235086 /nfs/dbraw/zinc/23/50/86/1066235086.db2.gz NCXMMFIVTLRZCG-YBFHISRDSA-N 0 0 603.491 3.595 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(C)c(Br)c4)c(=O)n32)cc1OCC ZINC000408935370 1066616940 /nfs/dbraw/zinc/61/69/40/1066616940.db2.gz DORDTYKBCMQJOO-GSFLASDGSA-N 0 0 557.466 3.886 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(C)c(Br)c4)c(=O)n32)cc1OCC ZINC000408935371 1066616886 /nfs/dbraw/zinc/61/68/86/1066616886.db2.gz DORDTYKBCMQJOO-PKGQOAHCSA-N 0 0 557.466 3.886 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc5ccccc45)c(=O)n32)cc1OCC ZINC000408935381 1066616893 /nfs/dbraw/zinc/61/68/93/1066616893.db2.gz DQTLDHRLKNVKMX-GAZVVYGOSA-N 0 0 514.603 3.969 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc5ccccc45)c(=O)n32)cc1OCC ZINC000408935382 1066616865 /nfs/dbraw/zinc/61/68/65/1066616865.db2.gz DQTLDHRLKNVKMX-GNRLCUHXSA-N 0 0 514.603 3.969 40 0 KHABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408935398 1066616327 /nfs/dbraw/zinc/61/63/27/1066616327.db2.gz DTAJGWDJCHZEIC-MJRUJHQZSA-N 0 0 552.649 3.613 40 0 KHABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OCC ZINC000408935399 1066616316 /nfs/dbraw/zinc/61/63/16/1066616316.db2.gz DTAJGWDJCHZEIC-MLGNGQMDSA-N 0 0 552.649 3.613 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408935456 1066616337 /nfs/dbraw/zinc/61/63/37/1066616337.db2.gz FNCILEUROZBUGQ-MZANGIHLSA-N 0 0 594.686 3.536 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408935458 1066234947 /nfs/dbraw/zinc/23/49/47/1066234947.db2.gz FNCILEUROZBUGQ-QFDNUGPTSA-N 0 0 594.686 3.536 40 0 KHABRN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408935459 1066616293 /nfs/dbraw/zinc/61/62/93/1066616293.db2.gz DWTDRMRWYLNULB-HMUDIZEXSA-N 0 0 536.650 3.994 40 0 KHABRN CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408935461 1066235143 /nfs/dbraw/zinc/23/51/43/1066235143.db2.gz DWTDRMRWYLNULB-PKVQIGPHSA-N 0 0 536.650 3.994 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408935463 1066616877 /nfs/dbraw/zinc/61/68/77/1066616877.db2.gz DXIUJPRYICYZTH-BYHQVZLYSA-N 0 0 640.883 3.692 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408935465 1066616920 /nfs/dbraw/zinc/61/69/20/1066616920.db2.gz DXIUJPRYICYZTH-LYFUXTGPSA-N 0 0 640.883 3.692 40 0 KHABRN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)c1 ZINC000408935585 1066616306 /nfs/dbraw/zinc/61/63/06/1066616306.db2.gz GDQNFSJCDDNAFE-GVMLUORFSA-N 0 0 557.628 3.605 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(O)c(OC)c4)c(=O)n32)c1 ZINC000408935588 1066616291 /nfs/dbraw/zinc/61/62/91/1066616291.db2.gz GDQNFSJCDDNAFE-KMBIYUNPSA-N 0 0 557.628 3.605 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4Br)c(=O)n32)cc1OCC ZINC000408935826 1066234998 /nfs/dbraw/zinc/23/49/98/1066234998.db2.gz NZVXNXJJTRFIAJ-WCCCRJGXSA-N 0 0 543.439 3.578 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4Br)c(=O)n32)cc1OCC ZINC000408935827 1066616329 /nfs/dbraw/zinc/61/63/29/1066616329.db2.gz NZVXNXJJTRFIAJ-YRUATGHUSA-N 0 0 543.439 3.578 40 0 KHABRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n21 ZINC000408936073 1066616314 /nfs/dbraw/zinc/61/63/14/1066616314.db2.gz FGNNPPRDVYKLTQ-IYMWYRQMSA-N 0 0 543.439 3.664 40 0 KHABRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n21 ZINC000408936074 1066616311 /nfs/dbraw/zinc/61/63/11/1066616311.db2.gz FGNNPPRDVYKLTQ-VMOHIOPYSA-N 0 0 543.439 3.664 40 0 KHABRN CCOC(=O)COc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408936081 1066616322 /nfs/dbraw/zinc/61/63/22/1066616322.db2.gz FISQYKOADXNRFC-RLGZEVEKSA-N 0 0 818.424 3.967 40 0 KHABRN CCOC(=O)COc1c(I)cc(I)cc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408936082 1066616351 /nfs/dbraw/zinc/61/63/51/1066616351.db2.gz FISQYKOADXNRFC-WLPTYJMBSA-N 0 0 818.424 3.967 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936108 1066616339 /nfs/dbraw/zinc/61/63/39/1066616339.db2.gz FMHFTOBWDINCOW-DKOMQPSQSA-N 0 0 543.041 3.866 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936110 1066616319 /nfs/dbraw/zinc/61/63/19/1066616319.db2.gz FMHFTOBWDINCOW-IZBTWGKQSA-N 0 0 543.041 3.866 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936191 1066234865 /nfs/dbraw/zinc/23/48/65/1066234865.db2.gz FTMIVQVADVLOJS-BYHQVZLYSA-N 0 0 563.857 3.841 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936194 1066235650 /nfs/dbraw/zinc/23/56/50/1066235650.db2.gz FTMIVQVADVLOJS-LYFUXTGPSA-N 0 0 563.857 3.841 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936250 1066616355 /nfs/dbraw/zinc/61/63/55/1066616355.db2.gz HIRPOBAREXOIOS-QTQKINJDSA-N 0 0 659.555 3.908 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936252 1066616283 /nfs/dbraw/zinc/61/62/83/1066616283.db2.gz HIRPOBAREXOIOS-ZKZBLMLZSA-N 0 0 659.555 3.908 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n32)cc1OCC ZINC000408936351 1066235585 /nfs/dbraw/zinc/23/55/85/1066235585.db2.gz PGBCFFPWQGSFQF-BYUJNSPJSA-N 0 0 543.439 3.578 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n32)cc1OCC ZINC000408936354 1066615746 /nfs/dbraw/zinc/61/57/46/1066615746.db2.gz PGBCFFPWQGSFQF-ZAAFRKLLSA-N 0 0 543.439 3.578 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC(C)C)c(OC)c4)c(=O)n32)cc1OCC ZINC000408936692 1066615628 /nfs/dbraw/zinc/61/56/28/1066615628.db2.gz POXWXSUTIDSUIM-CBRVFMNDSA-N 0 0 552.649 3.611 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC(C)C)c(OC)c4)c(=O)n32)cc1OCC ZINC000408936696 1066615596 /nfs/dbraw/zinc/61/55/96/1066615596.db2.gz POXWXSUTIDSUIM-NTZQMJGNSA-N 0 0 552.649 3.611 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408936699 1066615096 /nfs/dbraw/zinc/61/50/96/1066615096.db2.gz PPRRNYCSZFSIQU-QJWUKVPRSA-N 0 0 757.397 3.734 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000408936702 1066615603 /nfs/dbraw/zinc/61/56/03/1066615603.db2.gz IISIMKSGMJIHRZ-QTQKINJDSA-N 0 0 615.104 3.799 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)OC)c(I)c4)c(=O)n32)cc1OCC ZINC000408936703 1066615694 /nfs/dbraw/zinc/61/56/94/1066615694.db2.gz PPRRNYCSZFSIQU-ZYDFGXJWSA-N 0 0 757.397 3.734 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000408936704 1066615646 /nfs/dbraw/zinc/61/56/46/1066615646.db2.gz IISIMKSGMJIHRZ-ZKZBLMLZSA-N 0 0 615.104 3.799 40 0 KHABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc(I)c1O ZINC000408936782 1066615584 /nfs/dbraw/zinc/61/55/84/1066615584.db2.gz GADHBNKWYLXEGC-BYHQVZLYSA-N 0 0 640.883 3.779 40 0 KHABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Cl)ccc2OC)C(C(=O)OC)=C(C)N=3)cc(I)c1O ZINC000408936783 1066615702 /nfs/dbraw/zinc/61/57/02/1066615702.db2.gz GADHBNKWYLXEGC-LYFUXTGPSA-N 0 0 640.883 3.779 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCC)cc4Br)c(=O)n32)cc1OCC ZINC000408936918 1066615086 /nfs/dbraw/zinc/61/50/86/1066615086.db2.gz GJIXLWQQBYMUNI-RMSJAVSJSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCC)cc4Br)c(=O)n32)cc1OCC ZINC000408936922 1066615075 /nfs/dbraw/zinc/61/50/75/1066615075.db2.gz GJIXLWQQBYMUNI-WRPBSQTBSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC(C)=O)cc4Br)c(=O)n32)cc1OCC ZINC000408936937 1066615092 /nfs/dbraw/zinc/61/50/92/1066615092.db2.gz GJUPUPXXHAZLJD-CYOCHTPRSA-N 0 0 631.501 3.512 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC(C)=O)cc4Br)c(=O)n32)cc1OCC ZINC000408936942 1066235568 /nfs/dbraw/zinc/23/55/68/1066235568.db2.gz GJUPUPXXHAZLJD-XEBCXGCGSA-N 0 0 631.501 3.512 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408936966 1066615109 /nfs/dbraw/zinc/61/51/09/1066615109.db2.gz GKTHTYCGLLFMEX-GSOQPGDSSA-N 0 0 507.999 3.562 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408936970 1066615072 /nfs/dbraw/zinc/61/50/72/1066615072.db2.gz GKTHTYCGLLFMEX-YOURIZNBSA-N 0 0 507.999 3.562 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)s3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408937002 1066615090 /nfs/dbraw/zinc/61/50/90/1066615090.db2.gz GMDFFKLXYKYWES-IDGGIGOKSA-N 0 0 539.860 3.894 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)s3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408937006 1066615094 /nfs/dbraw/zinc/61/50/94/1066615094.db2.gz GMDFFKLXYKYWES-YHTSIIMFSA-N 0 0 539.860 3.894 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4sccc4Br)c(=O)n32)cc1OCC ZINC000408937254 1066615100 /nfs/dbraw/zinc/61/51/00/1066615100.db2.gz QEJTYTHQYQCBIS-DEWISIQVSA-N 0 0 549.468 3.640 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4sccc4Br)c(=O)n32)cc1OCC ZINC000408937256 1066235603 /nfs/dbraw/zinc/23/56/03/1066235603.db2.gz QEJTYTHQYQCBIS-FJZBCQJGSA-N 0 0 549.468 3.640 40 0 KHABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408937534 1066626945 /nfs/dbraw/zinc/62/69/45/1066626945.db2.gz QZLNLXNOGIQUSS-HYIDZWCSSA-N 0 0 634.492 3.819 40 0 KHABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1I ZINC000408937537 1066626991 /nfs/dbraw/zinc/62/69/91/1066626991.db2.gz QZLNLXNOGIQUSS-XKKBFUJGSA-N 0 0 634.492 3.819 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408937608 1066626891 /nfs/dbraw/zinc/62/68/91/1066626891.db2.gz GZKSKHOIPOKECO-HYIDZWCSSA-N 0 0 573.067 3.876 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000408937610 1066191638 /nfs/dbraw/zinc/19/16/38/1066191638.db2.gz GZKSKHOIPOKECO-XKKBFUJGSA-N 0 0 573.067 3.876 40 0 KHABRN COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408937622 1066236744 /nfs/dbraw/zinc/23/67/44/1066236744.db2.gz HAJDSOBURURHCZ-JUTHHCEFSA-N 0 0 557.466 3.967 40 0 KHABRN COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1cc(Br)ccc1OC)C(C(=O)OC(C)C)=C(C)N=2 ZINC000408937624 1066626929 /nfs/dbraw/zinc/62/69/29/1066626929.db2.gz HAJDSOBURURHCZ-VVOOWDFBSA-N 0 0 557.466 3.967 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408937999 1066626908 /nfs/dbraw/zinc/62/69/08/1066626908.db2.gz RKJVWWSOFYIEOU-NFYDWNOTSA-N 0 0 645.528 3.520 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1Br ZINC000408938002 1066626936 /nfs/dbraw/zinc/62/69/36/1066626936.db2.gz RKJVWWSOFYIEOU-ZFWDJNJRSA-N 0 0 645.528 3.520 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n32)cc1OCC ZINC000408938078 1066236950 /nfs/dbraw/zinc/23/69/50/1066236950.db2.gz RPSWFLYSRILZGD-KXERKJKRSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC(C)C)cc4)c(=O)n32)cc1OCC ZINC000408938081 1066626478 /nfs/dbraw/zinc/62/64/78/1066626478.db2.gz RPSWFLYSRILZGD-RVEICJNFSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)n(C)c5ccccc45)c(=O)n32)cc1OCC ZINC000408938747 1066237532 /nfs/dbraw/zinc/23/75/32/1066237532.db2.gz SEMHNYYIVBYWEZ-MJRUJHQZSA-N 0 0 531.634 3.616 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4c(C)n(C)c5ccccc45)c(=O)n32)cc1OCC ZINC000408938752 1066235634 /nfs/dbraw/zinc/23/56/34/1066235634.db2.gz SEMHNYYIVBYWEZ-MLGNGQMDSA-N 0 0 531.634 3.616 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408938846 1066235773 /nfs/dbraw/zinc/23/57/73/1066235773.db2.gz SKAIKGPWPBSMFN-QJWUKVPRSA-N 0 0 710.397 3.892 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)OC)c(Br)c4)c(=O)n32)cc1OCC ZINC000408938849 1066625692 /nfs/dbraw/zinc/62/56/92/1066625692.db2.gz SKAIKGPWPBSMFN-ZYDFGXJWSA-N 0 0 710.397 3.892 40 0 KHABRN CCOC(=O)COc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408939097 1066625551 /nfs/dbraw/zinc/62/55/51/1066625551.db2.gz HYYPRLMWBLSKNN-ITNPZBTBSA-N 0 0 616.692 3.911 40 0 KHABRN CCOC(=O)COc1ccc2ccccc2c1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408939100 1066625468 /nfs/dbraw/zinc/62/54/68/1066625468.db2.gz HYYPRLMWBLSKNN-UAMLYEQYSA-N 0 0 616.692 3.911 40 0 KHABRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n21 ZINC000408939178 1066625712 /nfs/dbraw/zinc/62/57/12/1066625712.db2.gz IDCGCVNZIZTJMD-IYMWYRQMSA-N 0 0 543.439 3.664 40 0 KHABRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n21 ZINC000408939182 1066625674 /nfs/dbraw/zinc/62/56/74/1066625674.db2.gz IDCGCVNZIZTJMD-VMOHIOPYSA-N 0 0 543.439 3.664 40 0 KHABRN COc1cc(OC)c(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000408939271 1066235506 /nfs/dbraw/zinc/23/55/06/1066235506.db2.gz BBQKLDINRSPGHA-PLQXQRLBSA-N 0 0 617.518 3.984 40 0 KHABRN COc1cc(OC)c(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 ZINC000408939273 1066625421 /nfs/dbraw/zinc/62/54/21/1066625421.db2.gz BBQKLDINRSPGHA-VVNKCDPRSA-N 0 0 617.518 3.984 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OC(C)C)c(=O)n32)cc1OCC ZINC000408939313 1066625480 /nfs/dbraw/zinc/62/54/80/1066625480.db2.gz IKADGYFCXDPYPV-JIOFHBDDSA-N 0 0 552.649 3.611 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OC(C)C)c(=O)n32)cc1OCC ZINC000408939314 1066625539 /nfs/dbraw/zinc/62/55/39/1066625539.db2.gz IKADGYFCXDPYPV-VVIXHQMUSA-N 0 0 552.649 3.611 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)cc4Br)c(=O)n32)cc1OCC ZINC000408939321 1066625491 /nfs/dbraw/zinc/62/54/91/1066625491.db2.gz 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/nfs/dbraw/zinc/23/61/43/1066236143.db2.gz IURCFBCYVCSNBH-RTXJXEIKSA-N 0 0 579.856 3.547 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(C)C)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939933 1066624884 /nfs/dbraw/zinc/62/48/84/1066624884.db2.gz IYYSTYWMURVOLE-FNBBMKIFSA-N 0 0 566.676 3.859 40 0 KHABRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC(C)C)c(OC)c4)c(=O)n32)cc1OCC ZINC000408939934 1066236338 /nfs/dbraw/zinc/23/63/38/1066236338.db2.gz IYYSTYWMURVOLE-TZOWMPLFSA-N 0 0 566.676 3.859 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408939952 1066236299 /nfs/dbraw/zinc/23/62/99/1066236299.db2.gz IZZOTHRHCVVTPT-BFHGZXLWSA-N 0 0 549.830 3.538 40 0 KHABRN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408939955 1066236236 /nfs/dbraw/zinc/23/62/36/1066236236.db2.gz IZZOTHRHCVVTPT-FUJWGRRUSA-N 0 0 549.830 3.538 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C 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CCOC(=O)Cn1c(C)c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21 ZINC000408971774 1066645024 /nfs/dbraw/zinc/64/50/24/1066645024.db2.gz QECBFMOSCLYKMA-ZNRKBWGRSA-N 0 0 647.750 3.658 40 0 KHABRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n21 ZINC000408971871 1066244126 /nfs/dbraw/zinc/24/41/26/1066244126.db2.gz REDVCMCLZPESTO-JDCXBEBJSA-N 0 0 587.492 3.595 40 0 KHABRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n21 ZINC000408971872 1066645082 /nfs/dbraw/zinc/64/50/82/1066645082.db2.gz REDVCMCLZPESTO-QFVBLGFASA-N 0 0 587.492 3.595 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OCC ZINC000408972655 1066645016 /nfs/dbraw/zinc/64/50/16/1066645016.db2.gz QHQZCJZDRUCORT-DBLMTGOPSA-N 0 0 780.634 3.777 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OCC ZINC000408972657 1066644908 /nfs/dbraw/zinc/64/49/08/1066644908.db2.gz 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/nfs/dbraw/zinc/64/64/96/1066646496.db2.gz NSBVEYDWDCKCGI-LJJBLSSYSA-N 0 0 634.492 3.906 40 0 KHABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000408975950 1066646256 /nfs/dbraw/zinc/64/62/56/1066646256.db2.gz DDCVQBSFZPOPSU-FUFNRSNVSA-N 0 0 571.655 3.995 40 0 KHABRN CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000408975952 1066646502 /nfs/dbraw/zinc/64/65/02/1066646502.db2.gz DDCVQBSFZPOPSU-PRLWALMFSA-N 0 0 571.655 3.995 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(O)c4)c(=O)n32)c(OC)c1 ZINC000408976051 1066244886 /nfs/dbraw/zinc/24/48/86/1066244886.db2.gz DVZSOHCWZIKLMJ-LMSRTUJASA-N 0 0 527.602 3.597 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(O)c4)c(=O)n32)c(OC)c1 ZINC000408976052 1066244813 /nfs/dbraw/zinc/24/48/13/1066244813.db2.gz DVZSOHCWZIKLMJ-RISWYLRJSA-N 0 0 527.602 3.597 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408976359 1066646307 /nfs/dbraw/zinc/64/63/07/1066646307.db2.gz QUMHWJMEBLWDQS-CVGPFBNFSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408976362 1066646230 /nfs/dbraw/zinc/64/62/30/1066646230.db2.gz QUMHWJMEBLWDQS-LJJBLSSYSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408977295 1066654724 /nfs/dbraw/zinc/65/47/24/1066654724.db2.gz WRLGREKFHDWCIC-QKSFETHESA-N 0 0 522.623 3.604 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408977298 1066654701 /nfs/dbraw/zinc/65/47/01/1066654701.db2.gz WRLGREKFHDWCIC-ZDQFFALBSA-N 0 0 522.623 3.604 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)c(OC)c1 ZINC000408977554 1066244914 /nfs/dbraw/zinc/24/49/14/1066244914.db2.gz IZGIRIKQDASAND-IYVASWNSSA-N 0 0 555.612 3.620 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCO5)c(=O)n32)c(OC)c1 ZINC000408977558 1066654118 /nfs/dbraw/zinc/65/41/18/1066654118.db2.gz IZGIRIKQDASAND-ORVZPOCUSA-N 0 0 555.612 3.620 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408977851 1066244870 /nfs/dbraw/zinc/24/48/70/1066244870.db2.gz KEWNFISSGCLVJP-FUFNRSNVSA-N 0 0 571.655 3.908 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408977854 1066654095 /nfs/dbraw/zinc/65/40/95/1066654095.db2.gz KEWNFISSGCLVJP-PRLWALMFSA-N 0 0 571.655 3.908 40 0 KHABRN COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408978171 1066654210 /nfs/dbraw/zinc/65/42/10/1066654210.db2.gz KXGUJDPMIKKPCB-BIWBSIMWSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408978173 1066654180 /nfs/dbraw/zinc/65/41/80/1066654180.db2.gz KXGUJDPMIKKPCB-ZGOFBEGVSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)c(OC)c1 ZINC000408978184 1066654152 /nfs/dbraw/zinc/65/41/52/1066654152.db2.gz KZTPMNHDVJUHPN-GTWFGUSFSA-N 0 0 511.603 3.891 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4)c(=O)n32)c(OC)c1 ZINC000408978186 1066245594 /nfs/dbraw/zinc/24/55/94/1066245594.db2.gz KZTPMNHDVJUHPN-SJJVXOANSA-N 0 0 511.603 3.891 40 0 KHABRN COc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000408978470 1066244799 /nfs/dbraw/zinc/24/47/99/1066244799.db2.gz IOHHCWNSOQBLEB-UHFFFAOYSA-N 0 0 500.573 3.551 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408979082 1066653516 /nfs/dbraw/zinc/65/35/16/1066653516.db2.gz BRWGGBWMWFPKQH-LOVSVEMNSA-N 0 0 658.729 3.903 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1OC ZINC000408979083 1066653585 /nfs/dbraw/zinc/65/35/85/1066653585.db2.gz BRWGGBWMWFPKQH-MXHSQWIBSA-N 0 0 658.729 3.903 40 0 KHABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408979232 1066246103 /nfs/dbraw/zinc/24/61/03/1066246103.db2.gz QHSAWXDFNVXZON-BIWBSIMWSA-N 0 0 569.639 3.678 40 0 KHABRN COC(=O)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408979233 1066653529 /nfs/dbraw/zinc/65/35/29/1066653529.db2.gz QHSAWXDFNVXZON-ZGOFBEGVSA-N 0 0 569.639 3.678 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408979373 1066653543 /nfs/dbraw/zinc/65/35/43/1066653543.db2.gz CCZHUSIPSLDMEH-JQVCWDCKSA-N 0 0 504.608 3.871 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/C=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408979374 1066653548 /nfs/dbraw/zinc/65/35/48/1066653548.db2.gz CCZHUSIPSLDMEH-UBPSPDISSA-N 0 0 504.608 3.871 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4O)c(=O)n32)c(OC)c1 ZINC000408979453 1066653539 /nfs/dbraw/zinc/65/35/39/1066653539.db2.gz QPZJEMYDYSLFRX-LMSRTUJASA-N 0 0 527.602 3.597 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccccc4O)c(=O)n32)c(OC)c1 ZINC000408979454 1066653563 /nfs/dbraw/zinc/65/35/63/1066653563.db2.gz QPZJEMYDYSLFRX-RISWYLRJSA-N 0 0 527.602 3.597 40 0 KHABRN CCOC(=O)c1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408979769 1066246354 /nfs/dbraw/zinc/24/63/54/1066246354.db2.gz OLTNVSGZKZLHHU-UHFFFAOYSA-N 0 0 526.611 3.753 40 0 KHABRN COc1ccc(OC)c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408979841 1066653557 /nfs/dbraw/zinc/65/35/57/1066653557.db2.gz SQTDZUNFFRKUTQ-FUFNRSNVSA-N 0 0 571.655 3.908 40 0 KHABRN COc1ccc(OC)c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408979843 1066653512 /nfs/dbraw/zinc/65/35/12/1066653512.db2.gz SQTDZUNFFRKUTQ-PRLWALMFSA-N 0 0 571.655 3.908 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408980080 1066652858 /nfs/dbraw/zinc/65/28/58/1066652858.db2.gz UNNRTDNMFYIAEN-BIWBSIMWSA-N 0 0 541.629 3.900 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c1 ZINC000408980081 1066652956 /nfs/dbraw/zinc/65/29/56/1066652956.db2.gz UNNRTDNMFYIAEN-ZGOFBEGVSA-N 0 0 541.629 3.900 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408980088 1066653573 /nfs/dbraw/zinc/65/35/73/1066653573.db2.gz UORZIFPETYMFOD-KOBOZNMDSA-N 0 0 613.692 3.833 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408980089 1066246386 /nfs/dbraw/zinc/24/63/86/1066246386.db2.gz UORZIFPETYMFOD-OGEXXFCLSA-N 0 0 613.692 3.833 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408980153 1066653571 /nfs/dbraw/zinc/65/35/71/1066653571.db2.gz 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ZINC000408980368 1066652936 /nfs/dbraw/zinc/65/29/36/1066652936.db2.gz VWTYYYJLTJNCRC-MFCBUNOESA-N 0 0 557.628 3.605 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(O)c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408980369 1066246408 /nfs/dbraw/zinc/24/64/08/1066246408.db2.gz VWTYYYJLTJNCRC-SUAMDDGLSA-N 0 0 557.628 3.605 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408980610 1066652929 /nfs/dbraw/zinc/65/29/29/1066652929.db2.gz GBGYNBBMAJPOLG-OXIKZWMZSA-N 0 0 572.639 3.667 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408980611 1066652818 /nfs/dbraw/zinc/65/28/18/1066652818.db2.gz GBGYNBBMAJPOLG-QEYQTOMISA-N 0 0 572.639 3.667 40 0 KHABRN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408981559 1066245618 /nfs/dbraw/zinc/24/56/18/1066245618.db2.gz IFUUBSSGLISOPR-GTWFGUSFSA-N 0 0 536.650 3.994 40 0 KHABRN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408981565 1066652191 /nfs/dbraw/zinc/65/21/91/1066652191.db2.gz IFUUBSSGLISOPR-SJJVXOANSA-N 0 0 536.650 3.994 40 0 KHABRN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408981635 1066652273 /nfs/dbraw/zinc/65/22/73/1066652273.db2.gz ILXPHTITKXYTEC-GJFKPFFXSA-N 0 0 522.623 3.604 40 0 KHABRN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408981638 1066652282 /nfs/dbraw/zinc/65/22/82/1066652282.db2.gz ILXPHTITKXYTEC-LWUPDDLQSA-N 0 0 522.623 3.604 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408981806 1066652264 /nfs/dbraw/zinc/65/22/64/1066652264.db2.gz CCSCXGCBUNPYRM-ARYJOXFRSA-N 0 0 524.598 3.722 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1 ZINC000408981809 1066245439 /nfs/dbraw/zinc/24/54/39/1066245439.db2.gz CCSCXGCBUNPYRM-JNWJWRTLSA-N 0 0 524.598 3.722 40 0 KHABRN COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1O ZINC000408982150 1066245384 /nfs/dbraw/zinc/24/53/84/1066245384.db2.gz IPVNBCZJNUQESJ-FNUHDPNESA-N 0 0 529.014 3.563 40 0 KHABRN COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1O ZINC000408982152 1066651635 /nfs/dbraw/zinc/65/16/35/1066651635.db2.gz IPVNBCZJNUQESJ-PZDOZLBDSA-N 0 0 529.014 3.563 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408982214 1066651620 /nfs/dbraw/zinc/65/16/20/1066651620.db2.gz CSOXRCOAYMYVAO-JUTHHCEFSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408982216 1066245397 /nfs/dbraw/zinc/24/53/97/1066245397.db2.gz CSOXRCOAYMYVAO-VVOOWDFBSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408982251 1066245652 /nfs/dbraw/zinc/24/56/52/1066245652.db2.gz CXSZCSLXHVFMLX-GELNIQQISA-N 0 0 598.677 3.886 40 0 KHABRN CCOC(=O)COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)c1 ZINC000408982252 1066245483 /nfs/dbraw/zinc/24/54/83/1066245483.db2.gz CXSZCSLXHVFMLX-VJUHFWBYSA-N 0 0 598.677 3.886 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(Cl)cc2)cc1OC ZINC000408982871 1066651478 /nfs/dbraw/zinc/65/14/78/1066651478.db2.gz ZOPVQMRGSGBWKS-UHFFFAOYSA-N 0 0 503.020 3.907 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000408983192 1066650725 /nfs/dbraw/zinc/65/07/25/1066650725.db2.gz FZYZUFMHXSTIAY-HCWVEKLQSA-N 0 0 554.624 3.731 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408983193 1066650775 /nfs/dbraw/zinc/65/07/75/1066650775.db2.gz FZYZUFMHXSTIAY-UXAZKMGBSA-N 0 0 554.624 3.731 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408983220 1066650749 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CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000408983235 1066651612 /nfs/dbraw/zinc/65/16/12/1066651612.db2.gz GMOYAYDBCVMMCW-LMTOTAIGSA-N 0 0 542.613 3.658 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408983253 1066651449 /nfs/dbraw/zinc/65/14/49/1066651449.db2.gz GPSYWSFSLQOADX-MFUBYVTQSA-N 0 0 664.518 3.915 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408983254 1066246081 /nfs/dbraw/zinc/24/60/81/1066246081.db2.gz GPSYWSFSLQOADX-RWTNITNYSA-N 0 0 664.518 3.915 40 0 KHABRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000408983493 1066246118 /nfs/dbraw/zinc/24/61/18/1066246118.db2.gz KRNCIQNUAWLTLX-IYVASWNSSA-N 0 0 556.596 3.990 40 0 KHABRN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000408983494 1066650771 /nfs/dbraw/zinc/65/07/71/1066650771.db2.gz KRNCIQNUAWLTLX-ORVZPOCUSA-N 0 0 556.596 3.990 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000408983514 1066650734 /nfs/dbraw/zinc/65/07/34/1066650734.db2.gz KYEMAFUYVXBXQL-FVECTHPASA-N 0 0 549.468 3.640 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000408983515 1066650833 /nfs/dbraw/zinc/65/08/33/1066650833.db2.gz KYEMAFUYVXBXQL-KDMTZKAISA-N 0 0 549.468 3.640 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408983680 1066650704 /nfs/dbraw/zinc/65/07/04/1066650704.db2.gz GZVWZTQJKNGMKA-QJWUKVPRSA-N 0 0 601.475 3.697 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408983682 1066650814 /nfs/dbraw/zinc/65/08/14/1066650814.db2.gz GZVWZTQJKNGMKA-ZYDFGXJWSA-N 0 0 601.475 3.697 40 0 KHABRN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1OC ZINC000408983782 1066649937 /nfs/dbraw/zinc/64/99/37/1066649937.db2.gz 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HVTUJFQGGBICLP-JNWJWRTLSA-N 0 0 526.614 3.953 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408984109 1066650064 /nfs/dbraw/zinc/65/00/64/1066650064.db2.gz FBPVQQVLDQVSAS-DNQIBQKISA-N 0 0 585.476 3.503 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408984112 1066247533 /nfs/dbraw/zinc/24/75/33/1066247533.db2.gz FBPVQQVLDQVSAS-NIQJEMAJSA-N 0 0 585.476 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408984648 1066650288 /nfs/dbraw/zinc/65/02/88/1066650288.db2.gz JJXCQFSYXCPIAH-MFCBUNOESA-N 0 0 580.659 3.530 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408984650 1066649990 /nfs/dbraw/zinc/64/99/90/1066649990.db2.gz JJXCQFSYXCPIAH-SUAMDDGLSA-N 0 0 580.659 3.530 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000408984972 1066246259 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/nfs/dbraw/zinc/24/67/11/1066246711.db2.gz ABXGTCFTXJCIET-LJQANCHMSA-N 0 0 550.374 3.548 40 0 KHABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408985239 1066649239 /nfs/dbraw/zinc/64/92/39/1066649239.db2.gz ALPDIODJJLYDOB-HSZRJFAPSA-N 0 0 529.615 3.930 40 0 KHABRN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408985260 1066649116 /nfs/dbraw/zinc/64/91/16/1066649116.db2.gz ALPDIODJJLYDOB-QHCPKHFHSA-N 0 0 529.615 3.930 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408985283 1066649160 /nfs/dbraw/zinc/64/91/60/1066649160.db2.gz KESBQPLOJSBABS-PLQXQRLBSA-N 0 0 692.528 3.744 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408985286 1066649276 /nfs/dbraw/zinc/64/92/76/1066649276.db2.gz KESBQPLOJSBABS-VVNKCDPRSA-N 0 0 692.528 3.744 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000408985501 1066648470 /nfs/dbraw/zinc/64/84/70/1066648470.db2.gz KUZIQLGVBDETBU-JUTHHCEFSA-N 0 0 650.491 3.524 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000408985504 1066648573 /nfs/dbraw/zinc/64/85/73/1066648573.db2.gz KUZIQLGVBDETBU-VVOOWDFBSA-N 0 0 650.491 3.524 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408985534 1066649041 /nfs/dbraw/zinc/64/90/41/1066649041.db2.gz MRKPMBSUUPFCGL-AOLPSBPOSA-N 0 0 615.502 3.511 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408985539 1066649074 /nfs/dbraw/zinc/64/90/74/1066649074.db2.gz MRKPMBSUUPFCGL-QDNAUZDWSA-N 0 0 615.502 3.511 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408985815 1066648665 /nfs/dbraw/zinc/64/86/65/1066648665.db2.gz NLJZKMDWSRCCNM-QPWQWLJXSA-N 0 0 553.640 3.816 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000408985818 1066246904 /nfs/dbraw/zinc/24/69/04/1066246904.db2.gz NLJZKMDWSRCCNM-ZYSRDMNZSA-N 0 0 553.640 3.816 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cccc(Br)c1 ZINC000408986234 1066648696 /nfs/dbraw/zinc/64/86/96/1066648696.db2.gz OXBUSCRHWFXLEO-CNSVBDKNSA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cccc(Br)c1 ZINC000408986235 1066648507 /nfs/dbraw/zinc/64/85/07/1066648507.db2.gz OXBUSCRHWFXLEO-FNGUVFISSA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408986440 1066246727 /nfs/dbraw/zinc/24/67/27/1066246727.db2.gz MAEXASDDVLQZMP-CALWQIHWSA-N 0 0 598.677 3.886 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408986442 1066247026 /nfs/dbraw/zinc/24/70/26/1066247026.db2.gz MAEXASDDVLQZMP-LQVYZAQWSA-N 0 0 598.677 3.886 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000408986563 1066246881 /nfs/dbraw/zinc/24/68/81/1066246881.db2.gz NBLUSDIOUCACAM-HCWVEKLQSA-N 0 0 556.640 3.961 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408986564 1066648679 /nfs/dbraw/zinc/64/86/79/1066648679.db2.gz NBLUSDIOUCACAM-UXAZKMGBSA-N 0 0 556.640 3.961 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408986931 1066647837 /nfs/dbraw/zinc/64/78/37/1066647837.db2.gz NVNGYQDNCCZLKY-GELNIQQISA-N 0 0 628.703 3.895 40 0 KHABRN CCOC(=O)COc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)cccc1OC ZINC000408986934 1066246979 /nfs/dbraw/zinc/24/69/79/1066246979.db2.gz NVNGYQDNCCZLKY-VJUHFWBYSA-N 0 0 628.703 3.895 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccn4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000408987108 1066647667 /nfs/dbraw/zinc/64/76/67/1066647667.db2.gz AINSDOVWQYCIRZ-PFFSESEHSA-N 0 0 503.605 3.938 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ccccn4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408987109 1066647813 /nfs/dbraw/zinc/64/78/13/1066647813.db2.gz AINSDOVWQYCIRZ-VPULJAIHSA-N 0 0 503.605 3.938 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccccc1 ZINC000408987315 1066658427 /nfs/dbraw/zinc/65/84/27/1066658427.db2.gz OBUILQKXIAIWSU-BDPRQDHOSA-N 0 0 512.587 3.650 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1 ZINC000408987317 1066658913 /nfs/dbraw/zinc/65/89/13/1066658913.db2.gz OBUILQKXIAIWSU-YPKVGQCMSA-N 0 0 512.587 3.650 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408987381 1066658421 /nfs/dbraw/zinc/65/84/21/1066658421.db2.gz OKCCQITZTKWLDU-GELNIQQISA-N 0 0 598.677 3.886 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)OCC)=C(c1ccccc1)N=2 ZINC000408987383 1066658312 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COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(OC)c1OC ZINC000408988020 1066658297 /nfs/dbraw/zinc/65/82/97/1066658297.db2.gz ZYLQAPMYJIGBJD-FCYPAOMHSA-N 0 0 541.629 3.900 40 0 KHABRN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc(OC)c1OC ZINC000408988023 1066658370 /nfs/dbraw/zinc/65/83/70/1066658370.db2.gz ZYLQAPMYJIGBJD-KDSDTBODSA-N 0 0 541.629 3.900 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408988190 1066247570 /nfs/dbraw/zinc/24/75/70/1066247570.db2.gz RCINOBAUNALCSB-FBRKSOCZSA-N 0 0 584.650 3.739 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408988191 1066658326 /nfs/dbraw/zinc/65/83/26/1066658326.db2.gz RCINOBAUNALCSB-ZPVURNRZSA-N 0 0 584.650 3.739 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000408988229 1066658261 /nfs/dbraw/zinc/65/82/61/1066658261.db2.gz RNUYGBHBSIKWNO-RJFKIUDMSA-N 0 0 560.628 3.683 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000408988230 1066658241 /nfs/dbraw/zinc/65/82/41/1066658241.db2.gz RNUYGBHBSIKWNO-WPUHHHFCSA-N 0 0 560.628 3.683 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408988262 1066658358 /nfs/dbraw/zinc/65/83/58/1066658358.db2.gz RVXKLHQLFFCJDX-VEOZPNHKSA-N 0 0 572.639 3.667 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408988264 1066658440 /nfs/dbraw/zinc/65/84/40/1066658440.db2.gz RVXKLHQLFFCJDX-ZEKHAJRLSA-N 0 0 572.639 3.667 40 0 KHABRN COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408988265 1066247718 /nfs/dbraw/zinc/24/77/18/1066247718.db2.gz HLPCNUAUHQEKLM-FQEVSTJZSA-N 0 0 536.391 3.828 40 0 KHABRN COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408988268 1066658347 /nfs/dbraw/zinc/65/83/47/1066658347.db2.gz 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ZINC000408993865 1066654790 /nfs/dbraw/zinc/65/47/90/1066654790.db2.gz XOJQAISXBGLOHG-ZPVURNRZSA-N 0 0 554.624 3.870 40 0 KHABRN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000408993914 1066248968 /nfs/dbraw/zinc/24/89/68/1066248968.db2.gz XLOVZBIQQWXPSY-HXUWFJFHSA-N 0 0 506.365 3.820 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408994046 1066249031 /nfs/dbraw/zinc/24/90/31/1066249031.db2.gz FJJRUUBRBMXBCW-FBRKSOCZSA-N 0 0 554.624 3.715 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408994048 1066249000 /nfs/dbraw/zinc/24/90/00/1066249000.db2.gz FJJRUUBRBMXBCW-ZPVURNRZSA-N 0 0 554.624 3.715 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nnnn4-c4ccccc4)o3)c(=O)n2[C@@H]1c1ccccc1 ZINC000408994310 1066654936 /nfs/dbraw/zinc/65/49/36/1066654936.db2.gz ZFRDOJMIPBTNKA-OFVJEAJMSA-N 0 0 570.656 3.518 40 0 KHABRN 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408997556 1066661245 /nfs/dbraw/zinc/66/12/45/1066661245.db2.gz NCZREZGUCZSASA-FBHQFGEZSA-N 0 0 527.440 3.960 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408997559 1066661412 /nfs/dbraw/zinc/66/14/12/1066661412.db2.gz NCZREZGUCZSASA-PZHBDVNGSA-N 0 0 527.440 3.960 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998157 1066660961 /nfs/dbraw/zinc/66/09/61/1066660961.db2.gz IFNPGCFICIBRFC-OXIKZWMZSA-N 0 0 526.614 3.953 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998160 1066660899 /nfs/dbraw/zinc/66/08/99/1066660899.db2.gz IFNPGCFICIBRFC-QEYQTOMISA-N 0 0 526.614 3.953 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408998481 1066248848 /nfs/dbraw/zinc/24/88/48/1066248848.db2.gz UPZPBJFWTFTRKL-FBRKSOCZSA-N 0 0 554.624 3.870 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408998483 1066660944 /nfs/dbraw/zinc/66/09/44/1066660944.db2.gz UPZPBJFWTFTRKL-ZPVURNRZSA-N 0 0 554.624 3.870 40 0 KHABRN O=C(COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)c1ccc(F)cc1 ZINC000408998673 1066249057 /nfs/dbraw/zinc/24/90/57/1066249057.db2.gz NNHPSXXNZWWOKS-NRFANRHFSA-N 0 0 567.376 3.746 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000408998693 1066660966 /nfs/dbraw/zinc/66/09/66/1066660966.db2.gz RXHFARKEPUASOK-CVGPFBNFSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000408998696 1066660919 /nfs/dbraw/zinc/66/09/19/1066660919.db2.gz RXHFARKEPUASOK-LJJBLSSYSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000408999582 1066249625 /nfs/dbraw/zinc/24/96/25/1066249625.db2.gz UZVITZAOTYKLKX-ABBNRAPFSA-N 0 0 542.661 4.000 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000408999585 1066660862 /nfs/dbraw/zinc/66/08/62/1066660862.db2.gz UZVITZAOTYKLKX-CSJROMOCSA-N 0 0 542.661 4.000 40 0 KHABRN Cc1cc(NC(=O)C(=O)NCCN2CCN(Cc3c(Cl)cccc3Cl)CC2)ccc1Br ZINC000408999665 1066660835 /nfs/dbraw/zinc/66/08/35/1066660835.db2.gz VJIQYJBFZTYMIW-UHFFFAOYSA-N 0 0 528.278 3.937 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408999748 1066660960 /nfs/dbraw/zinc/66/09/60/1066660960.db2.gz XPFYEVPNGKVKCM-QPWQWLJXSA-N 0 0 554.624 3.870 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408999755 1066660976 /nfs/dbraw/zinc/66/09/76/1066660976.db2.gz XPFYEVPNGKVKCM-ZYSRDMNZSA-N 0 0 554.624 3.870 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(Br)cc1 ZINC000409000218 1066660890 /nfs/dbraw/zinc/66/08/90/1066660890.db2.gz MYVQWZMXYPNUSR-BXBOZWQASA-N 0 0 552.244 3.916 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(Br)cc1 ZINC000409000222 1066660949 /nfs/dbraw/zinc/66/09/49/1066660949.db2.gz MYVQWZMXYPNUSR-QWSHFYNQSA-N 0 0 552.244 3.916 40 0 KHABRN O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409000511 1066660939 /nfs/dbraw/zinc/66/09/39/1066660939.db2.gz XFGJZQLBVXITAE-QFIPXVFZSA-N 0 0 534.419 3.540 40 0 KHABRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409000745 1066660288 /nfs/dbraw/zinc/66/02/88/1066660288.db2.gz FQQMZKIZYOVWFT-CZAAIQMYSA-N 0 0 526.440 3.876 40 0 KHABRN C[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409000746 1066660248 /nfs/dbraw/zinc/66/02/48/1066660248.db2.gz FQQMZKIZYOVWFT-DQLDELGASA-N 0 0 526.440 3.876 40 0 KHABRN C[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409000747 1066249579 /nfs/dbraw/zinc/24/95/79/1066249579.db2.gz FQQMZKIZYOVWFT-HBGVWJBISA-N 0 0 526.440 3.876 40 0 KHABRN C[C@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 ZINC000409000748 1066249655 /nfs/dbraw/zinc/24/96/55/1066249655.db2.gz FQQMZKIZYOVWFT-NDXORKPFSA-N 0 0 526.440 3.876 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000944 1066660228 /nfs/dbraw/zinc/66/02/28/1066660228.db2.gz OARYXUZTIMRXJF-FBRKSOCZSA-N 0 0 556.640 3.961 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000946 1066660217 /nfs/dbraw/zinc/66/02/17/1066660217.db2.gz OARYXUZTIMRXJF-ZPVURNRZSA-N 0 0 556.640 3.961 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409000960 1066249473 /nfs/dbraw/zinc/24/94/73/1066249473.db2.gz ZGURLZIOHYBLSD-HTCWZNLXSA-N 0 0 572.639 3.667 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409000962 1066249721 /nfs/dbraw/zinc/24/97/21/1066249721.db2.gz ZGURLZIOHYBLSD-WWFXOLRUSA-N 0 0 572.639 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IDLKOSBKHNCDTG-NLZIUFDSSA-N 0 0 522.623 3.603 40 0 KHABRN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1 ZINC000409032074 1066680663 /nfs/dbraw/zinc/68/06/63/1066680663.db2.gz IDLKOSBKHNCDTG-WLGHQHAYSA-N 0 0 522.623 3.603 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032113 1066679900 /nfs/dbraw/zinc/67/99/00/1066679900.db2.gz IXCLAYDALQQKBU-GVMLUORFSA-N 0 0 550.633 3.519 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032115 1066255312 /nfs/dbraw/zinc/25/53/12/1066255312.db2.gz IXCLAYDALQQKBU-KMBIYUNPSA-N 0 0 550.633 3.519 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032154 1066680555 /nfs/dbraw/zinc/68/05/55/1066680555.db2.gz IOSUFLKJKNENIL-GGARDQMFSA-N 0 0 689.581 3.917 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000409032155 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AVNOJHRXTPXUHW-WVWKGNOCSA-N 0 0 573.465 3.587 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000409079521 1066262320 /nfs/dbraw/zinc/26/23/20/1066262320.db2.gz KQLLYJRJFDZOLX-ABBNRAPFSA-N 0 0 541.629 3.987 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1O ZINC000409079525 1066709043 /nfs/dbraw/zinc/70/90/43/1066709043.db2.gz KQLLYJRJFDZOLX-CSJROMOCSA-N 0 0 541.629 3.987 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079938 1066709130 /nfs/dbraw/zinc/70/91/30/1066709130.db2.gz KHDKWURXWJZYBY-PMPAQKPWSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409079942 1066709069 /nfs/dbraw/zinc/70/90/69/1066709069.db2.gz KHDKWURXWJZYBY-SPVXFMEISA-N 0 0 603.491 3.682 40 0 KHABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NC[C@H]1CCCO1 ZINC000409080565 1066709012 /nfs/dbraw/zinc/70/90/12/1066709012.db2.gz FGYYCVZVTBPGBW-GOSISDBHSA-N 0 0 501.830 3.589 40 0 KHABRN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1CCCO1 ZINC000409080567 1066709232 /nfs/dbraw/zinc/70/92/32/1066709232.db2.gz FGYYCVZVTBPGBW-SFHVURJKSA-N 0 0 501.830 3.589 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409080991 1066713514 /nfs/dbraw/zinc/71/35/14/1066713514.db2.gz OSDUXDGEWLNUKF-JEYMYLTASA-N 0 0 659.555 3.910 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409080994 1066713308 /nfs/dbraw/zinc/71/33/08/1066713308.db2.gz OSDUXDGEWLNUKF-JSXXSUDDSA-N 0 0 659.555 3.910 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081066 1066713455 /nfs/dbraw/zinc/71/34/55/1066713455.db2.gz GCQSCVDMGOGDMZ-JGTYQCAFSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081068 1066261902 /nfs/dbraw/zinc/26/19/02/1066261902.db2.gz GCQSCVDMGOGDMZ-LYRGBEMXSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409081433 1066261928 /nfs/dbraw/zinc/26/19/28/1066261928.db2.gz OEXXMWLDVNRECN-SEXPAEGTSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409081436 1066712919 /nfs/dbraw/zinc/71/29/19/1066712919.db2.gz OEXXMWLDVNRECN-XOBACGFXSA-N 0 0 603.491 3.595 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1 ZINC000409081641 1066712890 /nfs/dbraw/zinc/71/28/90/1066712890.db2.gz HJNRCIZDFQACAU-ASSGYOTOSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1 ZINC000409081642 1066712961 /nfs/dbraw/zinc/71/29/61/1066712961.db2.gz HJNRCIZDFQACAU-OGRZUZBBSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)cc4OC)c(=O)n32)cc1 ZINC000409082009 1066712780 /nfs/dbraw/zinc/71/27/80/1066712780.db2.gz QUZJPTCZULLBHL-LCQSEVKBSA-N 0 0 571.655 3.908 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)cc4OC)c(=O)n32)cc1 ZINC000409082012 1066712911 /nfs/dbraw/zinc/71/29/11/1066712911.db2.gz QUZJPTCZULLBHL-UQDCTOEPSA-N 0 0 571.655 3.908 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409082025 1066712739 /nfs/dbraw/zinc/71/27/39/1066712739.db2.gz QVYSZSGWHCOFSY-SEXPAEGTSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409082030 1066712869 /nfs/dbraw/zinc/71/28/69/1066712869.db2.gz QVYSZSGWHCOFSY-XOBACGFXSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082077 1066712810 /nfs/dbraw/zinc/71/28/10/1066712810.db2.gz PERVQZLLAABRKE-FJWZAKCXSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082081 1066712902 /nfs/dbraw/zinc/71/29/02/1066712902.db2.gz PERVQZLLAABRKE-RQLGBQGVSA-N 0 0 557.466 3.968 40 0 KHABRN COC(=O)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409082118 1066712969 /nfs/dbraw/zinc/71/29/69/1066712969.db2.gz RQYZQOKHDKBYPM-ASSGYOTOSA-N 0 0 539.613 3.669 40 0 KHABRN COC(=O)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409082122 1066712727 /nfs/dbraw/zinc/71/27/27/1066712727.db2.gz RQYZQOKHDKBYPM-OGRZUZBBSA-N 0 0 539.613 3.669 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409082512 1066261912 /nfs/dbraw/zinc/26/19/12/1066261912.db2.gz SSCRXLJJCRGDEL-AHNSQEAUSA-N 0 0 613.692 3.833 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1OC ZINC000409082519 1066712879 /nfs/dbraw/zinc/71/28/79/1066712879.db2.gz SSCRXLJJCRGDEL-ZNRKBWGRSA-N 0 0 613.692 3.833 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082645 1066712218 /nfs/dbraw/zinc/71/22/18/1066712218.db2.gz SENVCYPARSJYFE-NWKGEQBZSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082649 1066262036 /nfs/dbraw/zinc/26/20/36/1066262036.db2.gz SENVCYPARSJYFE-YOKWNPFVSA-N 0 0 573.465 3.587 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)cc1 ZINC000409082682 1066712272 /nfs/dbraw/zinc/71/22/72/1066712272.db2.gz SIVPKNKYAHSTNA-ASSGYOTOSA-N 0 0 511.603 3.891 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)cc1 ZINC000409082685 1066712794 /nfs/dbraw/zinc/71/27/94/1066712794.db2.gz SIVPKNKYAHSTNA-OGRZUZBBSA-N 0 0 511.603 3.891 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409082908 1066712172 /nfs/dbraw/zinc/71/21/72/1066712172.db2.gz KAUMFMFDRDYVCV-JGTYQCAFSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409082913 1066712298 /nfs/dbraw/zinc/71/22/98/1066712298.db2.gz KAUMFMFDRDYVCV-LYRGBEMXSA-N 0 0 603.491 3.595 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n32)cc1 ZINC000409082930 1066712185 /nfs/dbraw/zinc/71/21/85/1066712185.db2.gz UFBGHIMPMLORDK-GVMLUORFSA-N 0 0 525.586 3.611 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc5c(c4)OCO5)c(=O)n32)cc1 ZINC000409082934 1066712159 /nfs/dbraw/zinc/71/21/59/1066712159.db2.gz UFBGHIMPMLORDK-KMBIYUNPSA-N 0 0 525.586 3.611 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083227 1066712147 /nfs/dbraw/zinc/71/21/47/1066712147.db2.gz VBIJKWAVHDDNJZ-PMPAQKPWSA-N 0 0 633.517 3.691 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083232 1066712286 /nfs/dbraw/zinc/71/22/86/1066712286.db2.gz VBIJKWAVHDDNJZ-SPVXFMEISA-N 0 0 633.517 3.691 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409083479 1066712243 /nfs/dbraw/zinc/71/22/43/1066712243.db2.gz ATPDSZZFRVXNJA-SOUQWLJBSA-N 0 0 586.714 3.695 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409083480 1066712135 /nfs/dbraw/zinc/71/21/35/1066712135.db2.gz ATPDSZZFRVXNJA-TXSZGURLSA-N 0 0 586.714 3.695 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409083594 1066711530 /nfs/dbraw/zinc/71/15/30/1066711530.db2.gz SZRQABWCDQECKJ-NQDYMZAQSA-N 0 0 615.502 3.511 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)c(Br)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000409083598 1066711676 /nfs/dbraw/zinc/71/16/76/1066711676.db2.gz SZRQABWCDQECKJ-RTOMEVGKSA-N 0 0 615.502 3.511 40 0 KHABRN CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000409083634 1066711757 /nfs/dbraw/zinc/71/17/57/1066711757.db2.gz VPNKWLFQQPQSLC-UHFFFAOYSA-N 0 0 558.882 3.594 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083691 1066711665 /nfs/dbraw/zinc/71/16/65/1066711665.db2.gz OMEBICMMAQJTAO-KIHONOKQSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083697 1066261697 /nfs/dbraw/zinc/26/16/97/1066261697.db2.gz OMEBICMMAQJTAO-YLVTVWEBSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409083720 1066711703 /nfs/dbraw/zinc/71/17/03/1066711703.db2.gz OMXDBXROZLHGKC-NWKGEQBZSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409083725 1066711513 /nfs/dbraw/zinc/71/15/13/1066711513.db2.gz OMXDBXROZLHGKC-YOKWNPFVSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409083782 1066711586 /nfs/dbraw/zinc/71/15/86/1066711586.db2.gz VRCDGKIDDUONQA-JEYMYLTASA-N 0 0 659.555 3.910 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cc(OC)c(OCC)cc1Br)C(C(=O)OCC)=C(C)N=2 ZINC000409083787 1066711551 /nfs/dbraw/zinc/71/15/51/1066711551.db2.gz VRCDGKIDDUONQA-JSXXSUDDSA-N 0 0 659.555 3.910 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)cc4OC)c(=O)n32)cc1 ZINC000409083828 1066711794 /nfs/dbraw/zinc/71/17/94/1066711794.db2.gz VUWSZMLPATZMQV-QPJBPQEWSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)cc4OC)c(=O)n32)cc1 ZINC000409083836 1066711745 /nfs/dbraw/zinc/71/17/45/1066711745.db2.gz VUWSZMLPATZMQV-QTTRZTASSA-N 0 0 541.629 3.900 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083909 1066262043 /nfs/dbraw/zinc/26/20/43/1066262043.db2.gz VZHPMOAMWQVQCX-KIHONOKQSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409083914 1066711687 /nfs/dbraw/zinc/71/16/87/1066711687.db2.gz VZHPMOAMWQVQCX-YLVTVWEBSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br ZINC000409084377 1066711715 /nfs/dbraw/zinc/71/17/15/1066711715.db2.gz CRPSFYCENRTFKM-VCHYOVAHSA-N 0 0 595.244 3.993 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)o4)c(=O)n32)cc1 ZINC000409084473 1066711498 /nfs/dbraw/zinc/71/14/98/1066711498.db2.gz WRIJTDXQYGYPDY-UQTDQPHJSA-N 0 0 514.607 3.542 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)o4)c(=O)n32)cc1 ZINC000409084482 1066711638 /nfs/dbraw/zinc/71/16/38/1066711638.db2.gz WRIJTDXQYGYPDY-YHHBSCGTSA-N 0 0 514.607 3.542 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084506 1066711734 /nfs/dbraw/zinc/71/17/34/1066711734.db2.gz POBPCUQUYSVVTL-JGTYQCAFSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084511 1066711650 /nfs/dbraw/zinc/71/16/50/1066711650.db2.gz POBPCUQUYSVVTL-LYRGBEMXSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084786 1066711267 /nfs/dbraw/zinc/71/12/67/1066711267.db2.gz QNTOUKFHFFMLDM-NWKGEQBZSA-N 0 0 573.465 3.587 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084791 1066711200 /nfs/dbraw/zinc/71/12/00/1066711200.db2.gz QNTOUKFHFFMLDM-YOKWNPFVSA-N 0 0 573.465 3.587 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1 ZINC000409084906 1066711318 /nfs/dbraw/zinc/71/13/18/1066711318.db2.gz XVOVOKYAPZVBCF-ABBNRAPFSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1 ZINC000409084908 1066711379 /nfs/dbraw/zinc/71/13/79/1066711379.db2.gz XVOVOKYAPZVBCF-CSJROMOCSA-N 0 0 541.629 3.900 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409084978 1066711405 /nfs/dbraw/zinc/71/14/05/1066711405.db2.gz YBMMWKVCZFGYDA-FNUHDPNESA-N 0 0 543.439 3.578 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409084983 1066261983 /nfs/dbraw/zinc/26/19/83/1066261983.db2.gz YBMMWKVCZFGYDA-PZDOZLBDSA-N 0 0 543.439 3.578 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1 ZINC000409085134 1066711369 /nfs/dbraw/zinc/71/13/69/1066711369.db2.gz YUWYUHOTEURMKH-OWXSRONMSA-N 0 0 527.602 3.597 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OC)c4O)c(=O)n32)cc1 ZINC000409085141 1066711174 /nfs/dbraw/zinc/71/11/74/1066711174.db2.gz YUWYUHOTEURMKH-ZMIGGIFCSA-N 0 0 527.602 3.597 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409085563 1066710749 /nfs/dbraw/zinc/71/07/49/1066710749.db2.gz DJVAVYVREVUQNO-OLIAQGHGSA-N 0 0 564.708 3.704 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409085564 1066711327 /nfs/dbraw/zinc/71/13/27/1066711327.db2.gz DJVAVYVREVUQNO-WTDOPDLHSA-N 0 0 564.708 3.704 40 0 KHABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)OC)c(I)c3)C2=O)cc1 ZINC000409085631 1066710706 /nfs/dbraw/zinc/71/07/06/1066710706.db2.gz CHRBSYBUMGGOAU-YBFXNURJSA-N 0 0 596.399 3.917 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)C)c(=O)n2[C@H]1c1ccccc1OC ZINC000409085693 1066710540 /nfs/dbraw/zinc/71/05/40/1066710540.db2.gz CSYFITKNWXVCFE-ASSGYOTOSA-N 0 0 519.667 3.899 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)C)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409085694 1066710590 /nfs/dbraw/zinc/71/05/90/1066710590.db2.gz CSYFITKNWXVCFE-OGRZUZBBSA-N 0 0 519.667 3.899 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000409085845 1066262009 /nfs/dbraw/zinc/26/20/09/1066262009.db2.gz OPCNOWKCJQJJFH-MKWGYRPRSA-N 0 0 527.602 3.597 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(O)c(OC)c4)c(=O)n32)cc1 ZINC000409085847 1066710524 /nfs/dbraw/zinc/71/05/24/1066710524.db2.gz OPCNOWKCJQJJFH-OCEWKHMESA-N 0 0 527.602 3.597 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409086059 1066261804 /nfs/dbraw/zinc/26/18/04/1066261804.db2.gz QAKHOGNIYUWCFP-MRCZTLKWSA-N 0 0 563.857 3.928 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409086062 1066710571 /nfs/dbraw/zinc/71/05/71/1066710571.db2.gz QAKHOGNIYUWCFP-ZNQKWNQWSA-N 0 0 563.857 3.928 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086591 1066710175 /nfs/dbraw/zinc/71/01/75/1066710175.db2.gz FMAIGNQSVQHBGH-BJJGPXNVSA-N 0 0 561.454 3.870 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409086594 1066710684 /nfs/dbraw/zinc/71/06/84/1066710684.db2.gz FMAIGNQSVQHBGH-IOKRJLGCSA-N 0 0 561.454 3.870 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409086684 1066710209 /nfs/dbraw/zinc/71/02/09/1066710209.db2.gz WIWLWSMZGAGVSZ-FJSZTYFPSA-N 0 0 583.666 3.824 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 ZINC000409086687 1066710254 /nfs/dbraw/zinc/71/02/54/1066710254.db2.gz WIWLWSMZGAGVSZ-KEBLUXQBSA-N 0 0 583.666 3.824 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087098 1066710262 /nfs/dbraw/zinc/71/02/62/1066710262.db2.gz GGUHOZUFJHLWKJ-HKXGNNSISA-N 0 0 647.544 3.994 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087100 1066710146 /nfs/dbraw/zinc/71/01/46/1066710146.db2.gz GGUHOZUFJHLWKJ-VFAWPYSXSA-N 0 0 647.544 3.994 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409087128 1066710088 /nfs/dbraw/zinc/71/00/88/1066710088.db2.gz GKXMPIPBROOOJG-FLWFWKMMSA-N 0 0 570.067 3.503 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3Cl)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409087130 1066194301 /nfs/dbraw/zinc/19/43/01/1066194301.db2.gz GKXMPIPBROOOJG-HGKWLZTNSA-N 0 0 570.067 3.503 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087171 1066710271 /nfs/dbraw/zinc/71/02/71/1066710271.db2.gz GRNVLMYBENHCBT-PMPAQKPWSA-N 0 0 588.524 3.923 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087173 1066710137 /nfs/dbraw/zinc/71/01/37/1066710137.db2.gz GRNVLMYBENHCBT-SPVXFMEISA-N 0 0 588.524 3.923 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087218 1066710245 /nfs/dbraw/zinc/71/02/45/1066710245.db2.gz BHIZJDBUSUYYMC-KIHONOKQSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409087220 1066710234 /nfs/dbraw/zinc/71/02/34/1066710234.db2.gz BHIZJDBUSUYYMC-YLVTVWEBSA-N 0 0 573.465 3.674 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409087356 1066713345 /nfs/dbraw/zinc/71/33/45/1066713345.db2.gz CGOKXXSDCCVAAM-BLJGQIRFSA-N 0 0 615.502 3.511 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)c(Br)c1)C(C(=O)OCC)=C(C)N=2 ZINC000409087360 1066713324 /nfs/dbraw/zinc/71/33/24/1066713324.db2.gz CGOKXXSDCCVAAM-MLJBDGAYSA-N 0 0 615.502 3.511 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409087916 1066720558 /nfs/dbraw/zinc/72/05/58/1066720558.db2.gz VADTZOKCACLIPS-IDQDRXHYSA-N 0 0 685.334 3.888 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409087918 1066720546 /nfs/dbraw/zinc/72/05/46/1066720546.db2.gz VADTZOKCACLIPS-KEBMYNNESA-N 0 0 685.334 3.888 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409088011 1066262458 /nfs/dbraw/zinc/26/24/58/1066262458.db2.gz VOHDIUGEIRPCNI-FJWZAKCXSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409088013 1066194065 /nfs/dbraw/zinc/19/40/65/1066194065.db2.gz VOHDIUGEIRPCNI-RQLGBQGVSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409088142 1066720012 /nfs/dbraw/zinc/72/00/12/1066720012.db2.gz DSMBNADXBBQESK-PRWBYUBPSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409088143 1066194322 /nfs/dbraw/zinc/19/43/22/1066194322.db2.gz DSMBNADXBBQESK-SRKIZSPNSA-N 0 0 513.413 3.569 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088308 1066719879 /nfs/dbraw/zinc/71/98/79/1066719879.db2.gz WRWACDDNBJSWCT-HDWLGTTHSA-N 0 0 590.496 3.627 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409088310 1066720037 /nfs/dbraw/zinc/72/00/37/1066720037.db2.gz WRWACDDNBJSWCT-ZVANETARSA-N 0 0 590.496 3.627 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000409088408 1066720028 /nfs/dbraw/zinc/72/00/28/1066720028.db2.gz LNNUUYLQKZHYAN-DUBROFONSA-N 0 0 569.064 3.995 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000409088409 1066719842 /nfs/dbraw/zinc/71/98/42/1066719842.db2.gz LNNUUYLQKZHYAN-QUYTYNJFSA-N 0 0 569.064 3.995 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409088433 1066720091 /nfs/dbraw/zinc/72/00/91/1066720091.db2.gz LVSSONAUMOSMHY-NLZIUFDSSA-N 0 0 600.535 3.892 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409088434 1066720057 /nfs/dbraw/zinc/72/00/57/1066720057.db2.gz LVSSONAUMOSMHY-WLGHQHAYSA-N 0 0 600.535 3.892 40 0 KHABRN NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000409088811 1066719892 /nfs/dbraw/zinc/71/98/92/1066719892.db2.gz HECZCIWBCBPGFQ-UHFFFAOYSA-N 0 0 572.890 3.580 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089375 1066719513 /nfs/dbraw/zinc/71/95/13/1066719513.db2.gz JASWYLLAANOVOC-NWKGEQBZSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089379 1066719371 /nfs/dbraw/zinc/71/93/71/1066719371.db2.gz JASWYLLAANOVOC-YOKWNPFVSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089631 1066719440 /nfs/dbraw/zinc/71/94/40/1066719440.db2.gz JHXLXOZVAVPNFK-RLGZEVEKSA-N 0 0 647.544 3.994 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089635 1066719523 /nfs/dbraw/zinc/71/95/23/1066719523.db2.gz JHXLXOZVAVPNFK-WLPTYJMBSA-N 0 0 647.544 3.994 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(C)c4C)c(=O)n32)cc1 ZINC000409089660 1066719467 /nfs/dbraw/zinc/71/94/67/1066719467.db2.gz NKEGFAVBCAOBAN-MKWGYRPRSA-N 0 0 512.635 3.838 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(C)c4C)c(=O)n32)cc1 ZINC000409089664 1066719480 /nfs/dbraw/zinc/71/94/80/1066719480.db2.gz NKEGFAVBCAOBAN-OCEWKHMESA-N 0 0 512.635 3.838 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089752 1066262529 /nfs/dbraw/zinc/26/25/29/1066262529.db2.gz JWLAZVMCHQTLIO-KIHONOKQSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409089754 1066719234 /nfs/dbraw/zinc/71/92/34/1066719234.db2.gz JWLAZVMCHQTLIO-YLVTVWEBSA-N 0 0 603.491 3.682 40 0 KHABRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C1=O ZINC000409089926 1066719303 /nfs/dbraw/zinc/71/93/03/1066719303.db2.gz PEUIAQBXJFVTQF-CEITULEQSA-N 0 0 505.330 3.685 40 0 KHABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C1=O ZINC000409089927 1066719405 /nfs/dbraw/zinc/71/94/05/1066719405.db2.gz PEUIAQBXJFVTQF-WWNSAXIVSA-N 0 0 505.330 3.685 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409090067 1066718905 /nfs/dbraw/zinc/71/89/05/1066718905.db2.gz QFBNURAJRRTFNT-UQTDQPHJSA-N 0 0 501.608 3.858 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409090070 1066719487 /nfs/dbraw/zinc/71/94/87/1066719487.db2.gz QFBNURAJRRTFNT-YHHBSCGTSA-N 0 0 501.608 3.858 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090271 1066718951 /nfs/dbraw/zinc/71/89/51/1066718951.db2.gz LVSXXXQTMIQCGW-SEXPAEGTSA-N 0 0 647.544 3.994 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409090272 1066718921 /nfs/dbraw/zinc/71/89/21/1066718921.db2.gz LVSXXXQTMIQCGW-XOBACGFXSA-N 0 0 647.544 3.994 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409090313 1066718912 /nfs/dbraw/zinc/71/89/12/1066718912.db2.gz OWPZKRACQZBAAW-NWKGEQBZSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409090314 1066718890 /nfs/dbraw/zinc/71/88/90/1066718890.db2.gz OWPZKRACQZBAAW-YOKWNPFVSA-N 0 0 557.466 3.886 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409090347 1066718932 /nfs/dbraw/zinc/71/89/32/1066718932.db2.gz MMMKTHJXKQOZAW-MHJKTRQGSA-N 0 0 689.581 3.919 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)c(OCC)cc2Br)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000409090349 1066718974 /nfs/dbraw/zinc/71/89/74/1066718974.db2.gz MMMKTHJXKQOZAW-UZIXBVKBSA-N 0 0 689.581 3.919 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409090526 1066718955 /nfs/dbraw/zinc/71/89/55/1066718955.db2.gz NRVQTVXLRCCSDR-XOYGFPHKSA-N 0 0 557.466 3.968 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409090527 1066718908 /nfs/dbraw/zinc/71/89/08/1066718908.db2.gz NRVQTVXLRCCSDR-YJADQXIJSA-N 0 0 557.466 3.968 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000409090984 1066718832 /nfs/dbraw/zinc/71/88/32/1066718832.db2.gz OEFHDDXDXKAWDJ-ABBNRAPFSA-N 0 0 541.629 3.900 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000409090985 1066262544 /nfs/dbraw/zinc/26/25/44/1066262544.db2.gz OEFHDDXDXKAWDJ-CSJROMOCSA-N 0 0 541.629 3.900 40 0 KHABRN CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br ZINC000409091255 1066718844 /nfs/dbraw/zinc/71/88/44/1066718844.db2.gz SDMOGXUFEKGZML-VCHYOVAHSA-N 0 0 550.793 3.884 40 0 KHABRN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4OC)c(=O)n32)cc1 ZINC000409091256 1066718885 /nfs/dbraw/zinc/71/88/85/1066718885.db2.gz SDZIUNSGHYIEQI-ASSGYOTOSA-N 0 0 571.655 3.908 40 0 KHABRN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4OC)c(=O)n32)cc1 ZINC000409091259 1066718927 /nfs/dbraw/zinc/71/89/27/1066718927.db2.gz SDZIUNSGHYIEQI-OGRZUZBBSA-N 0 0 571.655 3.908 40 0 KHABRN COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000409091273 1066262276 /nfs/dbraw/zinc/26/22/76/1066262276.db2.gz SGIRDFZYPLJTSM-UHFFFAOYSA-N 0 0 511.600 3.534 40 0 KHABRN COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000409091436 1066718444 /nfs/dbraw/zinc/71/84/44/1066718444.db2.gz UKAGCTHTRJHDMD-HZHRSRAPSA-N 0 0 528.565 3.861 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409091455 1066718422 /nfs/dbraw/zinc/71/84/22/1066718422.db2.gz UOAGSJNIHZADFX-FGGAIWKESA-N 0 0 573.513 3.534 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N(C)C)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409091457 1066718299 /nfs/dbraw/zinc/71/82/99/1066718299.db2.gz UOAGSJNIHZADFX-VOSMRYOYSA-N 0 0 573.513 3.534 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409091688 1066718209 /nfs/dbraw/zinc/71/82/09/1066718209.db2.gz RLUCOJVWHNXQKW-IMEWXKHHSA-N 0 0 603.491 3.595 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409091690 1066718388 /nfs/dbraw/zinc/71/83/88/1066718388.db2.gz RLUCOJVWHNXQKW-WVWKGNOCSA-N 0 0 603.491 3.595 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409091790 1066718380 /nfs/dbraw/zinc/71/83/80/1066718380.db2.gz USGVBBHXNCKGRU-MGSPXPDISA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409091791 1066718289 /nfs/dbraw/zinc/71/82/89/1066718289.db2.gz USGVBBHXNCKGRU-XPCGLTFESA-N 0 0 526.058 3.774 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409091797 1066718397 /nfs/dbraw/zinc/71/83/97/1066718397.db2.gz UVRDVXRCOGOEKM-BUDOKORBSA-N 0 0 533.469 3.939 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3sccc3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409091798 1066263461 /nfs/dbraw/zinc/26/34/61/1066263461.db2.gz UVRDVXRCOGOEKM-OBXYEHHASA-N 0 0 533.469 3.939 40 0 KHABRN COC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Br ZINC000409091912 1066327535 /nfs/dbraw/zinc/32/75/35/1066327535.db2.gz VQUGTIGDNUCZFD-AWNIVKPZSA-N 0 0 551.209 3.751 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC ZINC000409091928 1066717616 /nfs/dbraw/zinc/71/76/16/1066717616.db2.gz VUQBFPTVPCBKSC-NTEUORMPSA-N 0 0 505.330 3.688 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092285 1066717800 /nfs/dbraw/zinc/71/78/00/1066717800.db2.gz VDKAVHHNCGQZQO-DJTCXORXSA-N 0 0 647.544 3.994 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)cc(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409092286 1066717870 /nfs/dbraw/zinc/71/78/70/1066717870.db2.gz VDKAVHHNCGQZQO-LNXFQTKESA-N 0 0 647.544 3.994 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409092481 1066717768 /nfs/dbraw/zinc/71/77/68/1066717768.db2.gz YXYUKUFHYWNBQV-CINCIDGWSA-N 0 0 568.095 3.699 40 0 KHABRN CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409092482 1066717715 /nfs/dbraw/zinc/71/77/15/1066717715.db2.gz YXYUKUFHYWNBQV-WALVNQSHSA-N 0 0 568.095 3.699 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000409092508 1066717632 /nfs/dbraw/zinc/71/76/32/1066717632.db2.gz WNYDWEINXRIEDA-XOYGFPHKSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 ZINC000409092509 1066194135 /nfs/dbraw/zinc/19/41/35/1066194135.db2.gz WNYDWEINXRIEDA-YJADQXIJSA-N 0 0 587.492 3.977 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409092585 1066717677 /nfs/dbraw/zinc/71/76/77/1066717677.db2.gz XEJPFTVJLIRQDD-JJEHFPDLSA-N 0 0 576.538 3.945 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)s3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409092587 1066717851 /nfs/dbraw/zinc/71/78/51/1066717851.db2.gz XEJPFTVJLIRQDD-OOIVEFLKSA-N 0 0 576.538 3.945 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409093059 1066262641 /nfs/dbraw/zinc/26/26/41/1066262641.db2.gz ZASXCBSJGMSZJK-LCQSEVKBSA-N 0 0 579.719 3.917 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409093060 1066717758 /nfs/dbraw/zinc/71/77/58/1066717758.db2.gz ZASXCBSJGMSZJK-UQDCTOEPSA-N 0 0 579.719 3.917 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093086 1066194210 /nfs/dbraw/zinc/19/42/10/1066194210.db2.gz XFXTXBPYUBVINU-SEXPAEGTSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093087 1066717134 /nfs/dbraw/zinc/71/71/34/1066717134.db2.gz XFXTXBPYUBVINU-XOBACGFXSA-N 0 0 587.492 3.977 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093117 1066717203 /nfs/dbraw/zinc/71/72/03/1066717203.db2.gz XSYVTSMXUDULDM-PMPAQKPWSA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093118 1066717240 /nfs/dbraw/zinc/71/72/40/1066717240.db2.gz XSYVTSMXUDULDM-SPVXFMEISA-N 0 0 603.491 3.682 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093403 1066717216 /nfs/dbraw/zinc/71/72/16/1066717216.db2.gz ZREUPUYVKJGXBB-FLWFWKMMSA-N 0 0 617.518 3.985 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br ZINC000409093404 1066717264 /nfs/dbraw/zinc/71/72/64/1066717264.db2.gz ZREUPUYVKJGXBB-HGKWLZTNSA-N 0 0 617.518 3.985 40 0 KHABRN CCOc1c(I)cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OC ZINC000409093599 1066717308 /nfs/dbraw/zinc/71/73/08/1066717308.db2.gz APPUUOPZGRMFIQ-YVLHZVERSA-N 0 0 535.338 3.538 40 0 KHABRN COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1Br ZINC000409093790 1066717283 /nfs/dbraw/zinc/71/72/83/1066717283.db2.gz BPKAXEOTUKKFJL-RQZCQDPDSA-N 0 0 581.217 3.603 40 0 KHABRN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)o4)c(=O)n32)c1 ZINC000409093821 1066717163 /nfs/dbraw/zinc/71/71/63/1066717163.db2.gz ANKGLZKAKYZASC-CBIIRDDDSA-N 0 0 548.646 3.730 40 0 KHABRN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)o4)c(=O)n32)c1 ZINC000409093822 1066717125 /nfs/dbraw/zinc/71/71/25/1066717125.db2.gz ANKGLZKAKYZASC-QFXXMJIKSA-N 0 0 548.646 3.730 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409093855 1066717104 /nfs/dbraw/zinc/71/71/04/1066717104.db2.gz AZCUDJSVVGFXFU-JDCXBEBJSA-N 0 0 619.969 3.949 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409093856 1066717171 /nfs/dbraw/zinc/71/71/71/1066717171.db2.gz AZCUDJSVVGFXFU-QFVBLGFASA-N 0 0 619.969 3.949 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409094167 1066716685 /nfs/dbraw/zinc/71/66/85/1066716685.db2.gz COZKJIRXEGGZAB-MGSPXPDISA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409094168 1066716776 /nfs/dbraw/zinc/71/67/76/1066716776.db2.gz COZKJIRXEGGZAB-XPCGLTFESA-N 0 0 526.058 3.774 40 0 KHABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409094182 1066716790 /nfs/dbraw/zinc/71/67/90/1066716790.db2.gz CRTYTKBUDLDZBD-ASSGYOTOSA-N 0 0 535.666 3.520 40 0 KHABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409094183 1066716667 /nfs/dbraw/zinc/71/66/67/1066716667.db2.gz CRTYTKBUDLDZBD-OGRZUZBBSA-N 0 0 535.666 3.520 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409094215 1066716829 /nfs/dbraw/zinc/71/68/29/1066716829.db2.gz CBZWJFPALOVAHU-MGSPXPDISA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409094216 1066716739 /nfs/dbraw/zinc/71/67/39/1066716739.db2.gz CBZWJFPALOVAHU-XPCGLTFESA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409094549 1066716128 /nfs/dbraw/zinc/71/61/28/1066716128.db2.gz FRDPIULQJFCWPU-AQIZGWBQSA-N 0 0 677.561 3.743 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409094552 1066716155 /nfs/dbraw/zinc/71/61/55/1066716155.db2.gz FRDPIULQJFCWPU-ZDGAQAAHSA-N 0 0 677.561 3.743 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094555 1066716195 /nfs/dbraw/zinc/71/61/95/1066716195.db2.gz DRNBVASVKMPJEJ-NLZIUFDSSA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094556 1066716238 /nfs/dbraw/zinc/71/62/38/1066716238.db2.gz DRNBVASVKMPJEJ-WLGHQHAYSA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409094567 1066716186 /nfs/dbraw/zinc/71/61/86/1066716186.db2.gz FUTHAPHGBCRTJO-JDCXBEBJSA-N 0 0 556.084 3.783 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409094568 1066716113 /nfs/dbraw/zinc/71/61/13/1066716113.db2.gz FUTHAPHGBCRTJO-QFVBLGFASA-N 0 0 556.084 3.783 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)[nH]c4ccccc43)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409094575 1066715991 /nfs/dbraw/zinc/71/59/91/1066715991.db2.gz DZMXLUJLHILEIC-QPJBPQEWSA-N 0 0 544.677 3.911 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)[nH]c4ccccc43)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409094576 1066716084 /nfs/dbraw/zinc/71/60/84/1066716084.db2.gz DZMXLUJLHILEIC-QTTRZTASSA-N 0 0 544.677 3.911 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409094714 1066716162 /nfs/dbraw/zinc/71/61/62/1066716162.db2.gz FNJHZUBYGFBGDS-NLZIUFDSSA-N 0 0 570.509 3.883 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409094716 1066716098 /nfs/dbraw/zinc/71/60/98/1066716098.db2.gz FNJHZUBYGFBGDS-WLGHQHAYSA-N 0 0 570.509 3.883 40 0 KHABRN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409094845 1066262297 /nfs/dbraw/zinc/26/22/97/1066262297.db2.gz GISYXCRFDTYDRE-RGVLZGJSSA-N 0 0 502.520 3.840 40 0 KHABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OCC)cc3)C2=O)cc1OC ZINC000409095002 1066716209 /nfs/dbraw/zinc/71/62/09/1066716209.db2.gz GGSBLQKVVYTOTP-FYJGNVAPSA-N 0 0 514.556 3.711 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095161 1066715699 /nfs/dbraw/zinc/71/56/99/1066715699.db2.gz HATPCVVSWUXMNK-ABBNRAPFSA-N 0 0 528.678 3.912 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(C)c4ccccc34)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095162 1066715646 /nfs/dbraw/zinc/71/56/46/1066715646.db2.gz HATPCVVSWUXMNK-CSJROMOCSA-N 0 0 528.678 3.912 40 0 KHABRN COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409095202 1066716172 /nfs/dbraw/zinc/71/61/72/1066716172.db2.gz AAFFUHODOPKVOD-HYARGMPZSA-N 0 0 532.528 3.692 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409095454 1066715442 /nfs/dbraw/zinc/71/54/42/1066715442.db2.gz HXURSUPKHNJJSY-MGSPXPDISA-N 0 0 570.509 3.883 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409095459 1066715429 /nfs/dbraw/zinc/71/54/29/1066715429.db2.gz HXURSUPKHNJJSY-XPCGLTFESA-N 0 0 570.509 3.883 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095625 1066263223 /nfs/dbraw/zinc/26/32/23/1066263223.db2.gz ILVXVFZBTSKHPF-JDCXBEBJSA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095630 1066715472 /nfs/dbraw/zinc/71/54/72/1066715472.db2.gz ILVXVFZBTSKHPF-QFVBLGFASA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409095651 1066715574 /nfs/dbraw/zinc/71/55/74/1066715574.db2.gz INCZPEFRIGUOST-JDCXBEBJSA-N 0 0 524.042 3.544 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409095658 1066715703 /nfs/dbraw/zinc/71/57/03/1066715703.db2.gz INCZPEFRIGUOST-QFVBLGFASA-N 0 0 524.042 3.544 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409095729 1066715547 /nfs/dbraw/zinc/71/55/47/1066715547.db2.gz INOHAPBWNARATI-DBLMTGOPSA-N 0 0 587.698 3.988 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409095733 1066715457 /nfs/dbraw/zinc/71/54/57/1066715457.db2.gz INOHAPBWNARATI-GKKFRVOYSA-N 0 0 587.698 3.988 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409095882 1066715079 /nfs/dbraw/zinc/71/50/79/1066715079.db2.gz IWTKFQOXLPCULG-JDCXBEBJSA-N 0 0 587.483 3.717 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(I)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409095886 1066715048 /nfs/dbraw/zinc/71/50/48/1066715048.db2.gz IWTKFQOXLPCULG-QFVBLGFASA-N 0 0 587.483 3.717 40 0 KHABRN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409095922 1066714939 /nfs/dbraw/zinc/71/49/39/1066714939.db2.gz BSVOAALCLROGCM-MBXGISOLSA-N 0 0 519.667 3.901 40 0 KHABRN CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409095926 1066714916 /nfs/dbraw/zinc/71/49/16/1066714916.db2.gz BSVOAALCLROGCM-OKGRRGNVSA-N 0 0 519.667 3.901 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409096058 1066714828 /nfs/dbraw/zinc/71/48/28/1066714828.db2.gz CGWXPWVQMCZTKB-AQIZGWBQSA-N 0 0 600.535 3.892 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409096064 1066715005 /nfs/dbraw/zinc/71/50/05/1066715005.db2.gz CGWXPWVQMCZTKB-ZDGAQAAHSA-N 0 0 600.535 3.892 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409096340 1066714435 /nfs/dbraw/zinc/71/44/35/1066714435.db2.gz KUCSYOOYUUHTNQ-CINCIDGWSA-N 0 0 568.095 3.699 40 0 KHABRN CCOC(=O)COc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409096342 1066714530 /nfs/dbraw/zinc/71/45/30/1066714530.db2.gz KUCSYOOYUUHTNQ-WALVNQSHSA-N 0 0 568.095 3.699 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409096350 1066714380 /nfs/dbraw/zinc/71/43/80/1066714380.db2.gz KVYFMQARJXBXLP-AQIZGWBQSA-N 0 0 600.535 3.892 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000409096353 1066714453 /nfs/dbraw/zinc/71/44/53/1066714453.db2.gz KVYFMQARJXBXLP-ZDGAQAAHSA-N 0 0 600.535 3.892 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)o3)sc2=N1 ZINC000409096395 1066714361 /nfs/dbraw/zinc/71/43/61/1066714361.db2.gz KGIAEPZACQSCPM-BCHRQABDSA-N 0 0 606.682 3.855 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)c(=Cc3ccc(Sc4nc(C)cc(=O)[nH]4)o3)sc2=N1 ZINC000409096401 1066714495 /nfs/dbraw/zinc/71/44/95/1066714495.db2.gz KGIAEPZACQSCPM-WSLHLDTKSA-N 0 0 606.682 3.855 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)ccc3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000409096448 1066714374 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COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)o4)c(=O)n32)c1 ZINC000409105729 1066725749 /nfs/dbraw/zinc/72/57/49/1066725749.db2.gz JGHQDFGNGABIIK-OBVMJLIASA-N 0 0 578.672 3.738 40 0 KHABRN COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)o4)c(=O)n32)c1 ZINC000409105733 1066725825 /nfs/dbraw/zinc/72/58/25/1066725825.db2.gz JGHQDFGNGABIIK-WNOSOOIWSA-N 0 0 578.672 3.738 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409105942 1066725221 /nfs/dbraw/zinc/72/52/21/1066725221.db2.gz KDFFZGRAGHLLDP-YBFXNURJSA-N 0 0 560.401 3.630 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc(I)c1O ZINC000409106077 1066725289 /nfs/dbraw/zinc/72/52/89/1066725289.db2.gz QHNVVGREFZXVOS-NLZIUFDSSA-N 0 0 647.535 3.821 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc(I)c1O ZINC000409106082 1066725297 /nfs/dbraw/zinc/72/52/97/1066725297.db2.gz QHNVVGREFZXVOS-WLGHQHAYSA-N 0 0 647.535 3.821 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409106229 1066725362 /nfs/dbraw/zinc/72/53/62/1066725362.db2.gz MZXAKUVAARSWKU-MFISQUFLSA-N 0 0 586.714 3.630 40 0 KHABRN CCOC(=O)Cn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)c2ccccc21 ZINC000409106231 1066725266 /nfs/dbraw/zinc/72/52/66/1066725266.db2.gz MZXAKUVAARSWKU-RGDUZTMSSA-N 0 0 586.714 3.630 40 0 KHABRN CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1OCC ZINC000409106340 1066725349 /nfs/dbraw/zinc/72/53/49/1066725349.db2.gz LKOOQULKSKYPFE-YBFXNURJSA-N 0 0 515.950 3.520 40 0 KHABRN COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1I ZINC000409106408 1066724794 /nfs/dbraw/zinc/72/47/94/1066724794.db2.gz NCCKISLTRUAIJK-WUXMJOGZSA-N 0 0 587.173 3.892 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC ZINC000409106484 1066724877 /nfs/dbraw/zinc/72/48/77/1066724877.db2.gz MJBZPHGDDOOUFS-QPJBPQEWSA-N 0 0 565.692 3.528 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)ccc1OC ZINC000409106489 1066725334 /nfs/dbraw/zinc/72/53/34/1066725334.db2.gz MJBZPHGDDOOUFS-QTTRZTASSA-N 0 0 565.692 3.528 40 0 KHABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409106563 1066724834 /nfs/dbraw/zinc/72/48/34/1066724834.db2.gz OBEOAKMWDWXLNQ-LBKCIFGTSA-N 0 0 505.640 3.511 40 0 KHABRN CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1 ZINC000409106566 1066724772 /nfs/dbraw/zinc/72/47/72/1066724772.db2.gz OBEOAKMWDWXLNQ-QXHVWWCLSA-N 0 0 505.640 3.511 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000409106657 1066264948 /nfs/dbraw/zinc/26/49/48/1066264948.db2.gz OOKZCXWHYZYUGZ-JGTYQCAFSA-N 0 0 586.508 3.589 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409106658 1066724817 /nfs/dbraw/zinc/72/48/17/1066724817.db2.gz OOKZCXWHYZYUGZ-LYRGBEMXSA-N 0 0 586.508 3.589 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409106684 1066724828 /nfs/dbraw/zinc/72/48/28/1066724828.db2.gz SLPZGIMECDMYPY-NLZIUFDSSA-N 0 0 617.509 3.725 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409106685 1066724738 /nfs/dbraw/zinc/72/47/38/1066724738.db2.gz SLPZGIMECDMYPY-WLGHQHAYSA-N 0 0 617.509 3.725 40 0 KHABRN CCOC(=O)COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OCC ZINC000409106926 1066264893 /nfs/dbraw/zinc/26/48/93/1066264893.db2.gz NMHOCDBAIGWQEM-CXUHLZMHSA-N 0 0 530.393 3.778 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000409107044 1066264815 /nfs/dbraw/zinc/26/48/15/1066264815.db2.gz OLAQGEKVOCALLA-NLZIUFDSSA-N 0 0 524.042 3.528 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000409107046 1066724726 /nfs/dbraw/zinc/72/47/26/1066724726.db2.gz OLAQGEKVOCALLA-WLGHQHAYSA-N 0 0 524.042 3.528 40 0 KHABRN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409107118 1066724290 /nfs/dbraw/zinc/72/42/90/1066724290.db2.gz VDDNHPZHWBOCBG-LBKCIFGTSA-N 0 0 505.640 3.511 40 0 KHABRN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1OC)C(C(=O)N(CC)CC)=C(C)N=2 ZINC000409107119 1066264936 /nfs/dbraw/zinc/26/49/36/1066264936.db2.gz VDDNHPZHWBOCBG-QXHVWWCLSA-N 0 0 505.640 3.511 40 0 KHABRN COc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409107199 1066724402 /nfs/dbraw/zinc/72/44/02/1066724402.db2.gz VRNIVTGESIAXGU-YBFXNURJSA-N 0 0 502.520 3.840 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc(I)c1O ZINC000409107278 1066724232 /nfs/dbraw/zinc/72/42/32/1066724232.db2.gz QOENDIYBOFMNJK-AQIZGWBQSA-N 0 0 677.561 3.830 40 0 KHABRN CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc(I)c1O ZINC000409107281 1066724326 /nfs/dbraw/zinc/72/43/26/1066724326.db2.gz QOENDIYBOFMNJK-ZDGAQAAHSA-N 0 0 677.561 3.830 40 0 KHABRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(Br)cc(I)c3O)C2=O)c1 ZINC000409107329 1066727703 /nfs/dbraw/zinc/72/77/03/1066727703.db2.gz RYBDUHVCFGHFNL-CHHVJCJISA-N 0 0 556.154 3.599 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409107410 1066731873 /nfs/dbraw/zinc/73/18/73/1066731873.db2.gz RRSPNLRDMNISGI-GOOXQAOHSA-N 0 0 507.681 3.834 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409107413 1066731835 /nfs/dbraw/zinc/73/18/35/1066731835.db2.gz RRSPNLRDMNISGI-KZVLXBEFSA-N 0 0 507.681 3.834 40 0 KHABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC(=O)OC)c(OC)c3)C2=O)cc1 ZINC000409107434 1066265313 /nfs/dbraw/zinc/26/53/13/1066265313.db2.gz PRTXCODCBINXGX-YBFXNURJSA-N 0 0 534.974 3.974 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107535 1066265441 /nfs/dbraw/zinc/26/54/41/1066265441.db2.gz SBTANOZECWSJOV-NWJPQEHXSA-N 0 0 544.677 3.924 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107539 1066731729 /nfs/dbraw/zinc/73/17/29/1066731729.db2.gz SBTANOZECWSJOV-YSFSTTGISA-N 0 0 544.677 3.924 40 0 KHABRN CCOC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1OCC ZINC000409107743 1066731778 /nfs/dbraw/zinc/73/17/78/1066731778.db2.gz SVUFXMLJBOOIIO-CAOOACKPSA-N 0 0 530.393 3.778 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409107773 1066731793 /nfs/dbraw/zinc/73/17/93/1066731793.db2.gz SZHHQFKRPACXME-DBLMTGOPSA-N 0 0 557.672 3.980 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409107776 1066265356 /nfs/dbraw/zinc/26/53/56/1066265356.db2.gz SZHHQFKRPACXME-GKKFRVOYSA-N 0 0 557.672 3.980 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108047 1066731650 /nfs/dbraw/zinc/73/16/50/1066731650.db2.gz URTDKGXAPPQGBY-NLZIUFDSSA-N 0 0 526.058 3.774 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OC)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108049 1066731770 /nfs/dbraw/zinc/73/17/70/1066731770.db2.gz URTDKGXAPPQGBY-WLGHQHAYSA-N 0 0 526.058 3.774 40 0 KHABRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[nH]4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000409108236 1066731885 /nfs/dbraw/zinc/73/18/85/1066731885.db2.gz SQIIPGGXFFPASK-DAMVKRJQSA-N 0 0 657.524 3.838 40 0 KHABRN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(Sc4nc(C)cc(=O)[nH]4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409108237 1066731741 /nfs/dbraw/zinc/73/17/41/1066731741.db2.gz SQIIPGGXFFPASK-QRYXZWMLSA-N 0 0 657.524 3.838 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409108327 1066731285 /nfs/dbraw/zinc/73/12/85/1066731285.db2.gz WBZGTTBOYCEFPX-FOOGSPQISA-N 0 0 749.624 3.676 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=c2/sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)N(CC)CC)=C(C)N=3)cc1OC ZINC000409108328 1066731080 /nfs/dbraw/zinc/73/10/80/1066731080.db2.gz WBZGTTBOYCEFPX-GWXSLXSZSA-N 0 0 749.624 3.676 40 0 KHABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1OCC(=O)OC ZINC000409108333 1066731236 /nfs/dbraw/zinc/73/12/36/1066731236.db2.gz WDDUCTVHEPKXCW-RQZCQDPDSA-N 0 0 507.312 3.632 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409108386 1066731293 /nfs/dbraw/zinc/73/12/93/1066731293.db2.gz XGENQMUMLAGGPA-CUPKDKKMSA-N 0 0 522.671 3.551 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000409108387 1066731143 /nfs/dbraw/zinc/73/11/43/1066731143.db2.gz XGENQMUMLAGGPA-MSMNXAATSA-N 0 0 522.671 3.551 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000409108506 1066731182 /nfs/dbraw/zinc/73/11/82/1066731182.db2.gz WIJXJLFCDUQNAB-AQIZGWBQSA-N 0 0 630.561 3.901 40 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1066729226 /nfs/dbraw/zinc/72/92/26/1066729226.db2.gz FJUYERQTVZGXOX-DWCUFGPVSA-N 0 0 630.476 3.749 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000409112206 1066729168 /nfs/dbraw/zinc/72/91/68/1066729168.db2.gz KUGXSHSGGCZYRL-DWCUFGPVSA-N 0 0 572.042 3.920 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000409112210 1066264905 /nfs/dbraw/zinc/26/49/05/1066264905.db2.gz FJUYERQTVZGXOX-SNCOZNQQSA-N 0 0 630.476 3.749 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000409112211 1066729127 /nfs/dbraw/zinc/72/91/27/1066729127.db2.gz KUGXSHSGGCZYRL-SNCOZNQQSA-N 0 0 572.042 3.920 40 0 KHABRN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)Nc4ccc(Cl)cc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000409112440 1066729207 /nfs/dbraw/zinc/72/92/07/1066729207.db2.gz GIPVMCHOSBUXAG-KZYHYKASSA-N 0 0 602.068 3.929 40 0 KHABRN 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ZINC000409114147 1066728715 /nfs/dbraw/zinc/72/87/15/1066728715.db2.gz CQTUHZOVBSKPOM-UHFFFAOYSA-N 0 0 530.444 3.826 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000409114214 1066728831 /nfs/dbraw/zinc/72/88/31/1066728831.db2.gz GLNBKFPHARHCEF-ONQGDUAMSA-N 0 0 566.683 3.896 40 0 KHABRN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000409114217 1066728779 /nfs/dbraw/zinc/72/87/79/1066728779.db2.gz GLNBKFPHARHCEF-UUALVTFQSA-N 0 0 566.683 3.896 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C3/c4ccccc4N(C)C3=O)sc2=N1 ZINC000409114246 1066728760 /nfs/dbraw/zinc/72/87/60/1066728760.db2.gz GPOFIQZXKKFUAQ-BUANBSPESA-N 0 0 596.503 3.696 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C3/c4ccccc4N(C)C3=O)sc2=N1 ZINC000409114249 1066728691 /nfs/dbraw/zinc/72/86/91/1066728691.db2.gz GPOFIQZXKKFUAQ-COUQNMRISA-N 0 0 596.503 3.696 40 0 KHABRN Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=3)C(=O)N2 ZINC000409114277 1066728810 /nfs/dbraw/zinc/72/88/10/1066728810.db2.gz GSQQCYFBOYEZCR-MYXKAAJQSA-N 0 0 524.577 3.644 40 0 KHABRN Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccccc1)=C(C)N=3)C(=O)N2 ZINC000409114280 1066728800 /nfs/dbraw/zinc/72/88/00/1066728800.db2.gz GSQQCYFBOYEZCR-QQYUXEJHSA-N 0 0 524.577 3.644 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000409114324 1066728668 /nfs/dbraw/zinc/72/86/68/1066728668.db2.gz GVBXYIBAWIODJB-ORDRXGECSA-N 0 0 535.625 3.715 40 0 KHABRN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@H]1c1ccccc1 ZINC000409114328 1066728787 /nfs/dbraw/zinc/72/87/87/1066728787.db2.gz GVBXYIBAWIODJB-PIJNJCDPSA-N 0 0 535.625 3.715 40 0 KHABRN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C3\C(=O)Nc4ccc(Cl)cc43)sc2=N1 ZINC000409114511 1066728748 /nfs/dbraw/zinc/72/87/48/1066728748.db2.gz 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CBLZVALQIAPVMG-UHFFFAOYSA-N 0 0 514.600 3.575 40 0 KHABRN O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1 ZINC000409122926 1066732408 /nfs/dbraw/zinc/73/24/08/1066732408.db2.gz CMFLNPUDJJYCEL-BIFQTZPZSA-N 0 0 536.585 3.751 40 0 KHABRN O=C(Cn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21)NC[C@H]1CCCO1 ZINC000409122928 1066732300 /nfs/dbraw/zinc/73/23/00/1066732300.db2.gz CMFLNPUDJJYCEL-BRTCBXNNSA-N 0 0 536.585 3.751 40 0 KHABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000409122932 1066732359 /nfs/dbraw/zinc/73/23/59/1066732359.db2.gz CWXYEGAVXRKWNW-FYJGNVAPSA-N 0 0 578.018 3.790 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cc(C)ccc2C)cc1 ZINC000409122983 1066732314 /nfs/dbraw/zinc/73/23/14/1066732314.db2.gz CZOKTQXTTKHOHQ-UHFFFAOYSA-N 0 0 515.657 3.842 40 0 KHABRN CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccc(Br)cc23)C1=O ZINC000409123079 1066266019 /nfs/dbraw/zinc/26/60/19/1066266019.db2.gz DPIFPUDTDHAPRH-OCKHKDLRSA-N 0 0 506.422 3.955 40 0 KHABRN COc1ccccc1OCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2ccccc21 ZINC000409123109 1066732427 /nfs/dbraw/zinc/73/24/27/1066732427.db2.gz DZBHCNAIMLJIIH-JLPGSUDCSA-N 0 0 521.595 3.624 40 0 KHABRN O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O)N1CCOCC1 ZINC000409123305 1066732182 /nfs/dbraw/zinc/73/21/82/1066732182.db2.gz GBBBTQGYCNYNBG-DEDYPNTBSA-N 0 0 564.401 3.765 40 0 KHABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409123375 1066732220 /nfs/dbraw/zinc/73/22/20/1066732220.db2.gz GAADNYJKYYNASP-AYWVHJORSA-N 0 0 632.764 3.880 40 0 KHABRN C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409123379 1066732349 /nfs/dbraw/zinc/73/23/49/1066732349.db2.gz GAADNYJKYYNASP-HLADLETHSA-N 0 0 632.764 3.880 40 0 KHABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409123381 1066732243 /nfs/dbraw/zinc/73/22/43/1066732243.db2.gz GAADNYJKYYNASP-NGQVCNFZSA-N 0 0 632.764 3.880 40 0 KHABRN C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000409123383 1066732289 /nfs/dbraw/zinc/73/22/89/1066732289.db2.gz GAADNYJKYYNASP-QABMSTFYSA-N 0 0 632.764 3.880 40 0 KHABRN CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC ZINC000409123453 1066731825 /nfs/dbraw/zinc/73/18/25/1066731825.db2.gz GIHRVGOHKZTTCJ-HNEYUBDGSA-N 0 0 513.410 3.530 40 0 KHABRN CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC ZINC000409123455 1066731718 /nfs/dbraw/zinc/73/17/18/1066731718.db2.gz GIHRVGOHKZTTCJ-VVBXCHJUSA-N 0 0 513.410 3.530 40 0 KHABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000409123479 1066731677 /nfs/dbraw/zinc/73/16/77/1066731677.db2.gz CDFUGNXZLUQFPQ-NRFANRHFSA-N 0 0 515.566 3.665 40 0 KHABRN CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000409123483 1066732212 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CCN1C(=O)C(=Cc2cn(CC(=O)NCc3cccs3)c3ccc(Br)cc23)NC1=S ZINC000409124802 1066735464 /nfs/dbraw/zinc/73/54/64/1066735464.db2.gz LTURIULNPMZKQC-IUXPMGMMSA-N 0 0 503.447 3.859 40 0 KHABRN CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1I ZINC000409124886 1066735376 /nfs/dbraw/zinc/73/53/76/1066735376.db2.gz LFASHRYXMIABKE-MDWZMJQESA-N 0 0 617.199 3.520 40 0 KHABRN CCOC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)sc2c1CCCC2 ZINC000409125446 1066735388 /nfs/dbraw/zinc/73/53/88/1066735388.db2.gz FLYJCILFCPAESU-UHFFFAOYSA-N 0 0 501.026 3.870 40 0 KHABRN Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2Br)cc1 ZINC000409125616 1066735234 /nfs/dbraw/zinc/73/52/34/1066735234.db2.gz ACQDUBLUGUTJNU-FYJGNVAPSA-N 0 0 574.453 3.670 40 0 KHABRN CCOc1ccc(N2C(=O)C(=Cc3cn(CC(=O)NCCOC)c4ccc(Br)cc34)NC2=S)cc1 ZINC000409126101 1066735400 /nfs/dbraw/zinc/73/54/00/1066735400.db2.gz ASWAJPAHOHIEFX-MTJSOVHGSA-N 0 0 557.470 3.827 40 0 KHABRN COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000409126176 1066735418 /nfs/dbraw/zinc/73/54/18/1066735418.db2.gz BAGDOSIBURGLSL-UDWIEESQSA-N 0 0 520.966 3.962 40 0 KHABRN C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21 ZINC000409126466 1066734772 /nfs/dbraw/zinc/73/47/72/1066734772.db2.gz OHRNZQPSXNVGSW-MTEVNVADSA-N 0 0 589.512 3.700 40 0 KHABRN C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c2cc(Br)ccc21 ZINC000409126467 1066734822 /nfs/dbraw/zinc/73/48/22/1066734822.db2.gz OHRNZQPSXNVGSW-SLCIXIPPSA-N 0 0 589.512 3.700 40 0 KHABRN CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCCCOC)c4c3cccc4CC)N(CC(=O)OC)C2=S)cc1 ZINC000409126556 1066734904 /nfs/dbraw/zinc/73/49/04/1066734904.db2.gz CLWSIJJNSBIZHX-ONUIUJJFSA-N 0 0 592.718 3.903 40 0 KHABRN COC(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000409126652 1066734875 /nfs/dbraw/zinc/73/48/75/1066734875.db2.gz MCBFLGUHVHRYGL-UHFFFAOYSA-N 0 0 550.374 3.912 40 0 KHABRN COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n21 ZINC000409126670 1066734816 /nfs/dbraw/zinc/73/48/16/1066734816.db2.gz BLKKQEAYGBBBFK-HOGKFDNTSA-N 0 0 582.476 3.589 40 0 KHABRN COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C3/C(=O)Nc4ccc(C)cc43)c(=O)n21 ZINC000409126674 1066734920 /nfs/dbraw/zinc/73/49/20/1066734920.db2.gz BLKKQEAYGBBBFK-MOBKVPTQSA-N 0 0 582.476 3.589 40 0 KHABRN CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)sc2c1CCCC2 ZINC000409127201 1066734896 /nfs/dbraw/zinc/73/48/96/1066734896.db2.gz QIDPCYINNMHPRL-UHFFFAOYSA-N 0 0 501.026 3.870 40 0 KHABRN O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1 ZINC000409127227 1066266498 /nfs/dbraw/zinc/26/64/98/1066266498.db2.gz DBBGPWANZVXQBI-UHFFFAOYSA-N 0 0 506.365 3.803 40 0 KHABRN O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@@H]1CCCO1 ZINC000409127246 1066734742 /nfs/dbraw/zinc/73/47/42/1066734742.db2.gz QJUDHCHNOCKGES-POJBONIESA-N 0 0 539.455 3.961 40 0 KHABRN O=C(Cn1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21)NC[C@H]1CCCO1 ZINC000409127253 1066734808 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O=C(COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1Br)Nc1ccc(F)cc1 ZINC000409136159 1066266545 /nfs/dbraw/zinc/26/65/45/1066266545.db2.gz TVTBQUHUBIJUTG-UDWIEESQSA-N 0 0 578.416 3.501 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2cccc(C)c2)cc1 ZINC000409136326 1066736335 /nfs/dbraw/zinc/73/63/35/1066736335.db2.gz TYMHAUIHOCEYMY-UHFFFAOYSA-N 0 0 501.630 3.533 40 0 KHABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OC(C)C ZINC000409136367 1066736421 /nfs/dbraw/zinc/73/64/21/1066736421.db2.gz UCLKCNGBDVRCEN-GZTJUZNOSA-N 0 0 513.410 3.530 40 0 KHABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccc(C)c(C)c2)cc1 ZINC000409136552 1066736445 /nfs/dbraw/zinc/73/64/45/1066736445.db2.gz RTBYFKKOXGYAKM-UHFFFAOYSA-N 0 0 515.657 3.842 40 0 KHABRN Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(I)cc3)n2C)cc1 ZINC000409136560 1066266485 /nfs/dbraw/zinc/26/64/85/1066266485.db2.gz RTMNTXVONUYJBG-AWEZNQCLSA-N 0 0 535.411 3.950 40 0 KHABRN 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/nfs/dbraw/zinc/28/76/71/1066287671.db2.gz CMTGEFMZDVLUKY-NVNXTCNLSA-N 0 0 541.738 3.517 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)OC(C)C)c(Cl)c3)C2=O)o1 ZINC000409398282 1066288024 /nfs/dbraw/zinc/28/80/24/1066288024.db2.gz CNNNXMPNFUABHB-PXNMLYILSA-N 0 0 511.314 3.796 40 0 KHABRN CCOC(=O)COc1c(Br)cc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000409398350 1066829391 /nfs/dbraw/zinc/82/93/91/1066829391.db2.gz DBALKTGBELUSBO-CHHVJCJISA-N 0 0 541.738 3.517 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)OC(C)C)c(I)c3)C2=O)o1 ZINC000409398360 1066829450 /nfs/dbraw/zinc/82/94/50/1066829450.db2.gz DGVFBCXQBSYXGI-PXNMLYILSA-N 0 0 694.216 3.699 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@@H](C)C(=O)OC)c(Cl)c3Br)C2=O)o1 ZINC000409398364 1066285694 /nfs/dbraw/zinc/28/56/94/1066285694.db2.gz DIBIKLUPMBJDNJ-BNDQCTAISA-N 0 0 571.764 3.524 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@H](C)C(=O)OC)c(Cl)c3Br)C2=O)o1 ZINC000409398365 1066285605 /nfs/dbraw/zinc/28/56/05/1066285605.db2.gz DIBIKLUPMBJDNJ-QVASGMJFSA-N 0 0 571.764 3.524 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@H](C)C(=O)OC)c(Br)c3)C2=O)o1 ZINC000409398370 1066829480 /nfs/dbraw/zinc/82/94/80/1066829480.db2.gz DMICIDBVLPPSLJ-IIBSKXHVSA-N 0 0 586.189 3.624 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@@H](C)C(=O)OC)c(Br)c3)C2=O)o1 ZINC000409398371 1066829384 /nfs/dbraw/zinc/82/93/84/1066829384.db2.gz DMICIDBVLPPSLJ-SOOGHKCXSA-N 0 0 586.189 3.624 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)o1 ZINC000409398433 1066829457 /nfs/dbraw/zinc/82/94/57/1066829457.db2.gz AVZNJGCPXZMBRD-GRSHGNNSSA-N 0 0 557.918 3.978 40 0 KHABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(=O)Nc1cccc(F)c1 ZINC000409398456 1066285595 /nfs/dbraw/zinc/28/55/95/1066285595.db2.gz AZXCUDJNXPLXJU-JAIQZWGSSA-N 0 0 537.500 3.714 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OC(C)C)c(OC)c3)C2=O)o1 ZINC000409398481 1066829470 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/nfs/dbraw/zinc/82/89/40/1066828940.db2.gz FNAJNIACAQUIHX-RCEBRVLHSA-N 0 0 511.314 3.796 40 0 KHABRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl ZINC000409398651 1066828987 /nfs/dbraw/zinc/82/89/87/1066828987.db2.gz FNAJNIACAQUIHX-WIWNTQSISA-N 0 0 511.314 3.796 40 0 KHABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OC(C)=O ZINC000409398732 1066828999 /nfs/dbraw/zinc/82/89/99/1066828999.db2.gz GBZRUIPGNSNPMI-QPEQYQDCSA-N 0 0 541.738 3.899 40 0 KHABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCC(=O)OC(C)C ZINC000409398754 1066828975 /nfs/dbraw/zinc/82/89/75/1066828975.db2.gz GISLDUCMAXYIMG-MFOYZWKCSA-N 0 0 565.373 3.651 40 0 KHABRN CC[C@@H](C)Oc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000409398788 1066828367 /nfs/dbraw/zinc/82/83/67/1066828367.db2.gz CRCHQZAMTKIEDZ-DZZSIBQASA-N 0 0 554.337 3.950 40 0 KHABRN CC[C@H](C)Oc1c(I)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000409398789 1066828431 /nfs/dbraw/zinc/82/84/31/1066828431.db2.gz CRCHQZAMTKIEDZ-PFSWGADMSA-N 0 0 554.337 3.950 40 0 KHABRN CCOC(=O)COc1c(Cl)c(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000409398978 1066828421 /nfs/dbraw/zinc/82/84/21/1066828421.db2.gz GOUXHUGFMZOZPQ-QPEQYQDCSA-N 0 0 571.764 3.526 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)o1 ZINC000409399070 1066828299 /nfs/dbraw/zinc/82/82/99/1066828299.db2.gz FRGPTZZEIUHKKP-GRSHGNNSSA-N 0 0 649.369 3.929 40 0 KHABRN CCOC(=O)COc1c(Cl)c(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409399106 1066286270 /nfs/dbraw/zinc/28/62/70/1066286270.db2.gz HWUMJUVQOZLFTP-ZSOIEALJSA-N 0 0 585.791 3.916 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000409399115 1066828406 /nfs/dbraw/zinc/82/84/06/1066828406.db2.gz HXFNEBPJYUQHLS-UNOMPAQXSA-N 0 0 509.902 3.830 40 0 KHABRN CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409399128 1066828362 /nfs/dbraw/zinc/82/83/62/1066828362.db2.gz GASBXCBEGYVFGM-NWRYFCBHSA-N 0 0 520.922 3.542 40 0 KHABRN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409399130 1066828447 /nfs/dbraw/zinc/82/84/47/1066828447.db2.gz GASBXCBEGYVFGM-OMJMQIJPSA-N 0 0 520.922 3.542 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)o1 ZINC000409399133 1066828409 /nfs/dbraw/zinc/82/84/09/1066828409.db2.gz GBBHUJUBSRAHOB-ODLFYWEKSA-N 0 0 539.928 3.839 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)o1 ZINC000409399418 1066286512 /nfs/dbraw/zinc/28/65/12/1066286512.db2.gz IKNIRNLHPZYQHX-ODLFYWEKSA-N 0 0 584.379 3.948 40 0 KHABRN CCOC(=O)[C@H](C)Oc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409399445 1066827290 /nfs/dbraw/zinc/82/72/90/1066827290.db2.gz IUADAJBIZZMPGL-NWRYFCBHSA-N 0 0 565.373 3.651 40 0 KHABRN CCOC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OCC ZINC000409399447 1066827741 /nfs/dbraw/zinc/82/77/41/1066827741.db2.gz IUADAJBIZZMPGL-OMJMQIJPSA-N 0 0 565.373 3.651 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OCC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409399480 1066827831 /nfs/dbraw/zinc/82/78/31/1066827831.db2.gz IYQBJIWFRUKHED-DJKKODMXSA-N 0 0 557.918 3.978 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCC(=O)Nc3cccc(F)c3)C2=O)o1 ZINC000409399482 1066827726 /nfs/dbraw/zinc/82/77/26/1066827726.db2.gz IYQBJIWFRUKHED-OCKHKDLRSA-N 0 0 557.918 3.978 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)o1 ZINC000409399596 1066827262 /nfs/dbraw/zinc/82/72/62/1066827262.db2.gz KDLGYKQTVILNKO-ODLFYWEKSA-N 0 0 539.928 3.839 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409399609 1066827313 /nfs/dbraw/zinc/82/73/13/1066827313.db2.gz KNWFEPWXSFCTGG-ODLFYWEKSA-N 0 0 584.379 3.948 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409399610 1066286309 /nfs/dbraw/zinc/28/63/09/1066286309.db2.gz KNWFEPWXSFCTGG-YBFXNURJSA-N 0 0 584.379 3.948 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4cccc(F)c4)c(OC)c3)C2=O)o1 ZINC000409399613 1066827371 /nfs/dbraw/zinc/82/73/71/1066827371.db2.gz KSPPISMSFIRYPI-OCKHKDLRSA-N 0 0 557.918 3.978 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(I)c3)C2=O)o1 ZINC000409399629 1066827117 /nfs/dbraw/zinc/82/71/17/1066827117.db2.gz KHMLASYSTWRCRQ-ODLFYWEKSA-N 0 0 619.343 3.920 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)OC(C)C)c(Cl)c3Br)C2=O)o1 ZINC000409399633 1066827250 /nfs/dbraw/zinc/82/72/50/1066827250.db2.gz KHRHXJCOJVRTDE-AUWJEWJLSA-N 0 0 585.791 3.914 40 0 KHABRN CCOc1c(Cl)c(Br)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC ZINC000409399668 1066286456 /nfs/dbraw/zinc/28/64/56/1066286456.db2.gz KPEBWGJLFRFXPV-GHXNOFRVSA-N 0 0 513.728 3.982 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OC(C)(C)C)c(OC)c3)C2=O)o1 ZINC000409399702 1066827196 /nfs/dbraw/zinc/82/71/96/1066827196.db2.gz LYRKFXDRYZEOHA-DHDCSXOGSA-N 0 0 554.337 3.950 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC(C)=O)c(Cl)c3Br)C2=O)o1 ZINC000409399704 1066827323 /nfs/dbraw/zinc/82/73/23/1066827323.db2.gz KUWUQWXLMPHJGU-SDQBBNPISA-N 0 0 527.711 3.509 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC(C)=O)c(Br)c3Br)C2=O)o1 ZINC000409399770 1066286248 /nfs/dbraw/zinc/28/62/48/1066286248.db2.gz LPZJYVLKVPTUNA-SDQBBNPISA-N 0 0 572.162 3.618 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCC(=O)Nc4cccc(F)c4)c(OC)c3)C2=O)o1 ZINC000409399783 1066826660 /nfs/dbraw/zinc/82/66/60/1066826660.db2.gz MHFFRYOFFMSPAJ-OCKHKDLRSA-N 0 0 649.369 3.929 40 0 KHABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409399812 1066286413 /nfs/dbraw/zinc/28/64/13/1066286413.db2.gz MXDPEKRVZDRRDC-MOSHPQCFSA-N 0 0 519.510 3.575 40 0 KHABRN CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000409399837 1066286292 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/nfs/dbraw/zinc/82/66/76/1066826676.db2.gz MELHFAPKBMOIDX-DHDCSXOGSA-N 0 0 510.284 3.551 40 0 KHABRN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I ZINC000409399950 1066826687 /nfs/dbraw/zinc/82/66/87/1066826687.db2.gz MGLABBQNNJGYED-KPENOIPVSA-N 0 0 524.311 3.941 40 0 KHABRN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1I ZINC000409399952 1066826766 /nfs/dbraw/zinc/82/67/66/1066826766.db2.gz MGLABBQNNJGYED-YUSFRKCESA-N 0 0 524.311 3.941 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC)c(Br)c3Br)C2=O)o1 ZINC000409399970 1066826198 /nfs/dbraw/zinc/82/61/98/1066826198.db2.gz MLTSKFAADTZHQI-WDZFZDKYSA-N 0 0 544.152 3.701 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@H](C)C(=O)OC)c(Br)c3)C2=O)o1 ZINC000409399985 1066826126 /nfs/dbraw/zinc/82/61/26/1066826126.db2.gz MPYTYJRICZHFDT-IIBSKXHVSA-N 0 0 541.738 3.515 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@@H](C)C(=O)OC)c(Br)c3)C2=O)o1 ZINC000409399987 1066826157 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/nfs/dbraw/zinc/82/56/86/1066825686.db2.gz SUZCDTUUQRUJNT-VXLYETTFSA-N 0 0 557.918 3.978 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000409400547 1066825136 /nfs/dbraw/zinc/82/51/36/1066825136.db2.gz SZAQWSRRDUSHMW-UNOMPAQXSA-N 0 0 539.928 3.839 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1 ZINC000409400548 1066825095 /nfs/dbraw/zinc/82/50/95/1066825095.db2.gz SZAQWSRRDUSHMW-XDHOZWIPSA-N 0 0 539.928 3.839 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409400556 1066825585 /nfs/dbraw/zinc/82/55/85/1066825585.db2.gz TXSVPIYANXLQFD-ODLFYWEKSA-N 0 0 539.928 3.839 40 0 KHABRN COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OCC(=O)Nc3ccccc3)C2=O)o1 ZINC000409400557 1066825635 /nfs/dbraw/zinc/82/56/35/1066825635.db2.gz TXSVPIYANXLQFD-YBFXNURJSA-N 0 0 539.928 3.839 40 0 KHABRN CCOC(=O)[C@H](C)Oc1c(Br)cc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000409400588 1066287262 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3.556 40 0 biogenic,in-vitro KHABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)c(Br)o3)N2N1 ZINC000588224991 1066495005 /nfs/dbraw/zinc/49/50/05/1066495005.db2.gz FOZYMFLLLLKGMZ-KRWDZBQOSA-N 0 0 526.254 3.871 40 0 KHABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)c(Br)o3)N2N1 ZINC000588224992 1066494995 /nfs/dbraw/zinc/49/49/95/1066494995.db2.gz FOZYMFLLLLKGMZ-QGZVFWFLSA-N 0 0 526.254 3.871 40 0 KHABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)cc(OC)c3OC)N2N1 ZINC000588225127 1066495728 /nfs/dbraw/zinc/49/57/28/1066495728.db2.gz SIUOQRQKKBOVBA-NRFANRHFSA-N 0 0 517.449 3.533 40 0 KHABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)cc(OC)c3OC)N2N1 ZINC000588225128 1066495620 /nfs/dbraw/zinc/49/56/20/1066495620.db2.gz SIUOQRQKKBOVBA-OAQYLSRUSA-N 0 0 517.449 3.533 40 0 KHABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)c(OC)c(OCC)c3)N2N1 ZINC000588225153 1066495690 /nfs/dbraw/zinc/49/56/90/1066495690.db2.gz VZCNLVSQNVYAAK-JOCHJYFZSA-N 0 0 531.476 3.923 40 0 KHABRN CCCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)c(OC)c(OCC)c3)N2N1 ZINC000588225154 1066495717 /nfs/dbraw/zinc/49/57/17/1066495717.db2.gz VZCNLVSQNVYAAK-QFIPXVFZSA-N 0 0 531.476 3.923 40 0 KHABRN CCCCCCOc1ccccc1[C@H]1N=c2ccc(Br)cc2=C2C(=O)N=C(SC)NN21 ZINC000588225203 1066495650 /nfs/dbraw/zinc/49/56/50/1066495650.db2.gz ZNXCGUIMQGURPY-NRFANRHFSA-N 0 0 501.450 3.914 40 0 KHABRN CCCCCCOc1ccccc1[C@@H]1N=c2ccc(Br)cc2=C2C(=O)N=C(SC)NN21 ZINC000588225204 1066495680 /nfs/dbraw/zinc/49/56/80/1066495680.db2.gz ZNXCGUIMQGURPY-OAQYLSRUSA-N 0 0 501.450 3.914 40 0 KHABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@H](c3ccc(-c4ccc(Cl)cc4)o3)N2N1 ZINC000588225449 1066495594 /nfs/dbraw/zinc/49/55/94/1066495594.db2.gz HURKLFJRBCPKKI-IBGZPJMESA-N 0 0 501.793 3.869 40 0 KHABRN CSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N2N1 ZINC000588225450 1066495602 /nfs/dbraw/zinc/49/56/02/1066495602.db2.gz HURKLFJRBCPKKI-LJQANCHMSA-N 0 0 501.793 3.869 40 0 KHABRN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=c2ccccc2=C2C(=O)N=C(SCc3ccccc3)NN21 ZINC000588225498 1066494915 /nfs/dbraw/zinc/49/49/15/1066494915.db2.gz OAJRJFWSCCXENW-RUZDIDTESA-N 0 0 513.026 3.911 40 0 KHABRN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1N=c2ccccc2=C2C(=O)N=C(SCc3ccccc3)NN21 ZINC000588225499 1066494993 /nfs/dbraw/zinc/49/49/93/1066494993.db2.gz OAJRJFWSCCXENW-VWLOTQADSA-N 0 0 513.026 3.911 40 0 KHABRN CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(Br)c(OCc4ccccc4)c(OC)c3)N2N1 ZINC000588225561 1066494984 /nfs/dbraw/zinc/49/49/84/1066494984.db2.gz WLRIDBOUEROGOS-DEOSSOPVSA-N 0 0 551.466 3.933 40 0 KHABRN CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)c(OCc4ccccc4)c(OC)c3)N2N1 ZINC000588225562 1066494927 /nfs/dbraw/zinc/49/49/27/1066494927.db2.gz WLRIDBOUEROGOS-XMMPIXPASA-N 0 0 551.466 3.933 40 0 KHABRN CCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(Br)cc(Br)c3OC)N2N1 ZINC000588225588 1066495675 /nfs/dbraw/zinc/49/56/75/1066495675.db2.gz ARDQOOPAKLSNGE-GOSISDBHSA-N 0 0 538.265 3.506 40 0 KHABRN 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KHABRN CCCCCCSC1=NC(=O)C2=c3cc(Br)ccc3=N[C@@H](c3ccc4c(c3)OCO4)N2N1 ZINC000588226760 1066495684 /nfs/dbraw/zinc/49/56/84/1066495684.db2.gz ZJFBGSMNPBYXMB-OAQYLSRUSA-N 0 0 515.433 3.634 40 0 KHABRN CCOc1cc([C@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc(Cl)c1OCc1ccccc1 ZINC000588227007 1066193526 /nfs/dbraw/zinc/19/35/26/1066193526.db2.gz DVSOGTXBHIUIIQ-DEOSSOPVSA-N 0 0 507.015 3.824 40 0 KHABRN CCOc1cc([C@@H]2N=c3ccccc3=C3C(=O)N=C(SC)NN32)cc(Cl)c1OCc1ccccc1 ZINC000588227008 1066193361 /nfs/dbraw/zinc/19/33/61/1066193361.db2.gz DVSOGTXBHIUIIQ-XMMPIXPASA-N 0 0 507.015 3.824 40 0 KHABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(OCc4ccccc4)c(OC)c3)N2N1 ZINC000588228157 1066496697 /nfs/dbraw/zinc/49/66/97/1066496697.db2.gz AGJQAYSWOBRWSX-AREMUKBSSA-N 0 0 500.624 3.951 40 0 KHABRN CCCCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(OCc4ccccc4)c(OC)c3)N2N1 ZINC000588228158 1066496761 /nfs/dbraw/zinc/49/67/61/1066496761.db2.gz AGJQAYSWOBRWSX-SANMLTNESA-N 0 0 500.624 3.951 40 0 KHABRN 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/nfs/dbraw/zinc/87/58/71/1066875871.db2.gz UNJCWFPNPBBAQI-FZYNUTEISA-N 0 0 500.643 3.978 40 0 KHABRN CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCC1=CCCCC1)[C@@H]1[C@@H]3C[C@@H](Cn4c(=O)cccc43)CN21 ZINC001547206064 1066875830 /nfs/dbraw/zinc/87/58/30/1066875830.db2.gz UNJCWFPNPBBAQI-LGZHOBANSA-N 0 0 500.643 3.978 40 0 KHABRN CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCC1=CCCCC1)[C@@H]1[C@@H]3C[C@@H](Cn4c(=O)cccc43)CN21 ZINC001547206065 1066876063 /nfs/dbraw/zinc/87/60/63/1066876063.db2.gz UNJCWFPNPBBAQI-PXMCIRSJSA-N 0 0 500.643 3.978 40 0 KHABRN Cc1nn(-c2ccccc2)c2c1C(=O)[C@]1(C)c3c(c(-c4ccc5c(=O)[nH]c(=O)n(C)c5n4)c(O)c(C)c3O)OC1=C2 ZINC001547212320 1066876483 /nfs/dbraw/zinc/87/64/83/1066876483.db2.gz BRWAJNPWPKZNAE-PMERELPUSA-N 0 0 549.543 3.802 40 0 KHABRN O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548888913 1066877159 /nfs/dbraw/zinc/87/71/59/1066877159.db2.gz CJBIWKFNFDKPHZ-RLWLMLJZSA-N 0 0 662.662 3.999 40 0 KHABRN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccc(F)c(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548889061 1066877082 /nfs/dbraw/zinc/87/70/82/1066877082.db2.gz FSJKWSDOZVVYEA-YWEHKCAJSA-N 0 0 627.710 3.698 40 0 KHABRN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4cccc(F)c4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548889848 1066877163 /nfs/dbraw/zinc/87/71/63/1066877163.db2.gz KZPNIFXDDUPNRJ-VPUSJEBWSA-N 0 0 638.718 3.591 40 0 KHABRN O=C1NC2(CCN(Cc3ccc(F)c(F)c3)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889883 1066877143 /nfs/dbraw/zinc/87/71/43/1066877143.db2.gz LMFLEDQEPYMUIC-AMGIVPHBSA-N 0 0 633.664 3.967 40 0 KHABRN COc1cccc(NC(=O)N2CCC3(CC2)CCOc2cc(-c4ccc(F)cc4F)ccc2S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N3)c1 ZINC001548890186 1066877121 /nfs/dbraw/zinc/87/71/21/1066877121.db2.gz NCTCRXOTCTYTQD-KCWPFWIISA-N 0 0 656.708 3.730 40 0 KHABRN O=C(Nc1ccccc1)N1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890187 1066877062 /nfs/dbraw/zinc/87/70/62/1066877062.db2.gz NCZMLBKTLLWJOM-BVAGGSTKSA-N 0 0 626.682 3.721 40 0 KHABRN O=C(NC1CCCCC1)N1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890274 1066877057 /nfs/dbraw/zinc/87/70/57/1066877057.db2.gz NZZODQSYGMIUAT-BVAGGSTKSA-N 0 0 632.730 3.531 40 0 KHABRN O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCOc1cc(-c3ccc(F)cc3F)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890424 1066877042 /nfs/dbraw/zinc/87/70/42/1066877042.db2.gz PBYIHPWUXNRWRN-BVAGGSTKSA-N 0 0 644.672 3.860 40 0 KHABRN COc1cccc(-c2ccc3c(c2)OCCC2(CCN(C(=O)Nc4ccc(F)cc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)c1 ZINC001548890537 1066877681 /nfs/dbraw/zinc/87/76/81/1066877681.db2.gz RWBDYQFEOHZOME-KCWPFWIISA-N 0 0 656.708 3.730 40 0 KHABRN O=C1NC2(CCN(Cc3ccc(F)c(F)c3)CC2)CCOc2cc(-c3ccccc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890541 1066877738 /nfs/dbraw/zinc/87/77/38/1066877738.db2.gz RXIOBFZYZSCORX-SQHAQQRYSA-N 0 0 597.684 3.689 40 0 KHABRN O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890573 1066877748 /nfs/dbraw/zinc/87/77/48/1066877748.db2.gz TYSQILHCRJFBJM-FTJBHMTQSA-N 0 0 608.692 3.582 40 0 KHABRN O=C1NC2(CCN(Cc3ccncc3Cl)CC2)CCOc2cc(-c3ccc(F)cc3F)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548891153 1066877699 /nfs/dbraw/zinc/87/76/99/1066877699.db2.gz YDYCTRYWXWABPI-GJZUVCINSA-N 0 0 633.117 3.738 40 0 KHABRN CC(C)c1ccc2c(c1)OCCC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548891218 1066877733 /nfs/dbraw/zinc/87/77/33/1066877733.db2.gz YREDSXJEXMVCRF-PKTZIBPZSA-N 0 0 591.130 3.553 40 0 KHABRN O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)CCOc1cc(-c3ccccc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548891242 1066877553 /nfs/dbraw/zinc/87/75/53/1066877553.db2.gz YYKZSOMEAJRFPW-BVAGGSTKSA-N 0 0 626.682 3.721 40 0 KHABRN NC(=O)/C(CC1CC1)=C(/CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O ZINC001560403707 1066877628 /nfs/dbraw/zinc/87/76/28/1066877628.db2.gz COGXBFKVTLVBLZ-RIXQQTFQSA-N 0 0 516.495 3.982 40 0 KHABRN NC(=O)/C(CC1CC1)=C(\CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O ZINC001560403708 1066877723 /nfs/dbraw/zinc/87/77/23/1066877723.db2.gz COGXBFKVTLVBLZ-YJCCFKNTSA-N 0 0 516.495 3.982 40 0 KHABRN CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nn(C3CCC(O)CC3)c2n1 ZINC001560406041 1066878489 /nfs/dbraw/zinc/87/84/89/1066878489.db2.gz AGXUHDLGVMNDPT-UHFFFAOYSA-N 0 0 513.644 3.746 40 0 KHABRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)C(=O)C(NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC001560407453 1066878401 /nfs/dbraw/zinc/87/84/01/1066878401.db2.gz BIIDKCLZRHNXRE-BGEAYFOBSA-N 0 0 809.865 3.990 40 0 KHABRN CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)C(=O)C(NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC001560407456 1066878359 /nfs/dbraw/zinc/87/83/59/1066878359.db2.gz BIIDKCLZRHNXRE-MKDBVDBWSA-N 0 0 809.865 3.990 40 0 KHABRN COc1ccc(CN(C(=O)[C@@H]([NH3+])Cc2c(C)cc(C(N)=O)cc2C)C(C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-] ZINC001560408820 1066879019 /nfs/dbraw/zinc/87/90/19/1066879019.db2.gz PLFDFKGXEDSYGE-SANMLTNESA-N 0 0 568.654 3.998 40 0 KHABRN COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1C2=C2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4 ZINC001560408821 1066878813 /nfs/dbraw/zinc/87/88/13/1066878813.db2.gz ZNOPUXQAASETHE-BNEQNNDSSA-N 0 0 759.834 3.672 40 0 KHABRN COc1cccc(N2CCN(C3[NH+]=c4c(F)cccc4=C(CC(=O)[O-])N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 ZINC001560408823 1066879080 /nfs/dbraw/zinc/87/90/80/1066879080.db2.gz PVDZGMSMRGHWAR-UHFFFAOYSA-N 0 0 571.551 3.854 40 0 KHABRN O=C(CN1CCC(C(=O)Nc2ccc3[nH]nc(-c4ccncc4)c3c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001560410018 1066878935 /nfs/dbraw/zinc/87/89/35/1066878935.db2.gz NEDNXSPEYFNWJV-UHFFFAOYSA-N 0 0 586.680 3.649 40 0 KHABRN OC(COc1cccc2ncccc21)CN1CCN(C2=c3ccccc3=C3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC001560410172 1066878835 /nfs/dbraw/zinc/87/88/35/1066878835.db2.gz BARMHWBNXQMJPU-GDLZYMKVSA-N 0 0 524.591 3.889 40 0 KHABRN C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC001560411726 1066878885 /nfs/dbraw/zinc/87/88/85/1066878885.db2.gz HDVSPARFLLPWBO-UCXDOPSKSA-N 0 0 575.763 3.701 40 0 KHABRN COc1ccc([C@](OC[C@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2cccc(OC)c2)cc1 ZINC001569990102 1066879050 /nfs/dbraw/zinc/87/90/50/1066879050.db2.gz BAQYNHIPXQFDKH-GXVOWDDKSA-N 0 0 649.700 3.975 40 0 KHABRN COc1ccc([C@@](OC[C@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2cccc(OC)c2)cc1 ZINC001569990119 1066879801 /nfs/dbraw/zinc/87/98/01/1066879801.db2.gz BAQYNHIPXQFDKH-YLJVMGINSA-N 0 0 649.700 3.975 40 0 KHABRN [NH3+][C@@H](Cc1ccc(I)c(Oc2cc(I)c(O)c(I)c2)c1)C(=O)[O-] ZINC001569991432 1066879743 /nfs/dbraw/zinc/87/97/43/1066879743.db2.gz XOVGZFLABMNKPN-LBPRGKRZSA-N 0 0 650.976 3.953 40 0 KHABRN