smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C2CCCCC2)cc1OC ZINC000000622535 551502887 /nfs/dbraw/zinc/50/28/87/551502887.db2.gz SLOSJHPGHIZPKO-UHFFFAOYSA-N 0 0 559.685 3.100 50 0 KGAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000623695 551503231 /nfs/dbraw/zinc/50/32/31/551503231.db2.gz JDIGRZPGSFDCLJ-UHFFFAOYSA-N 0 0 592.674 3.141 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000000624082 551503426 /nfs/dbraw/zinc/50/34/26/551503426.db2.gz FKLGSTKJUCSIED-VVOOWDFBSA-N 0 0 585.432 3.021 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000000624083 551503387 /nfs/dbraw/zinc/50/33/87/551503387.db2.gz FKLGSTKJUCSIED-JUTHHCEFSA-N 0 0 585.432 3.021 50 0 KGAARN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000000624623 193857564 /nfs/dbraw/zinc/85/75/64/193857564.db2.gz OENQJTGBWYPLPM-UHFFFAOYSA-N 0 0 550.637 3.370 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1 ZINC000000625792 551503778 /nfs/dbraw/zinc/50/37/78/551503778.db2.gz XLMZESZHZZMXKM-JAORQVBISA-N 0 0 527.396 3.096 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 ZINC000000625795 551503764 /nfs/dbraw/zinc/50/37/64/551503764.db2.gz XLMZESZHZZMXKM-JCAJYURWSA-N 0 0 527.396 3.096 50 0 KGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(I)c(O)c(OC)c1 ZINC000000627107 551503934 /nfs/dbraw/zinc/50/39/34/551503934.db2.gz LLZSCLKMSCGUBK-UHFFFAOYSA-N 0 0 501.317 3.366 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 ZINC000000627408 193858132 /nfs/dbraw/zinc/85/81/32/193858132.db2.gz PDQQJYIAXYVVNB-WSDUQJHMSA-N 0 0 533.425 3.158 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 ZINC000000627410 551504027 /nfs/dbraw/zinc/50/40/27/551504027.db2.gz PDQQJYIAXYVVNB-DDYRAIOVSA-N 0 0 533.425 3.158 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000627828 551504024 /nfs/dbraw/zinc/50/40/24/551504024.db2.gz GKFBTRPTNSFNOI-LWUPDDLQSA-N 0 0 536.606 3.131 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000627831 551503888 /nfs/dbraw/zinc/50/38/88/551503888.db2.gz GKFBTRPTNSFNOI-GJFKPFFXSA-N 0 0 536.606 3.131 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000627982 193858163 /nfs/dbraw/zinc/85/81/63/193858163.db2.gz KBLXIQCKFDJEIA-ZRELAVNMSA-N 0 0 557.422 3.105 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000627984 551504264 /nfs/dbraw/zinc/50/42/64/551504264.db2.gz KBLXIQCKFDJEIA-AFHVAHMMSA-N 0 0 557.422 3.105 50 0 KGAARN Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000628325 551504268 /nfs/dbraw/zinc/50/42/68/551504268.db2.gz MJVVGKXMFUNOTM-UHFFFAOYSA-N 0 0 505.593 3.364 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000628806 551504553 /nfs/dbraw/zinc/50/45/53/551504553.db2.gz OQQFLBLVTOPIEY-VVOOWDFBSA-N 0 0 587.448 3.113 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000628808 193858621 /nfs/dbraw/zinc/85/86/21/193858621.db2.gz OQQFLBLVTOPIEY-JUTHHCEFSA-N 0 0 587.448 3.113 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000630845 551504753 /nfs/dbraw/zinc/50/47/53/551504753.db2.gz OTBAFOGMTSLWRX-XQJRBFNUSA-N 0 0 502.951 3.218 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000630847 551504733 /nfs/dbraw/zinc/50/47/33/551504733.db2.gz OTBAFOGMTSLWRX-RZXXJPOTSA-N 0 0 502.951 3.218 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000000630854 551504780 /nfs/dbraw/zinc/50/47/80/551504780.db2.gz UYHQXLLXHWTFIN-IGSWSUAKSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000000630856 551504777 /nfs/dbraw/zinc/50/47/77/551504777.db2.gz UYHQXLLXHWTFIN-YMSBRDKKSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1 ZINC000000630859 551504816 /nfs/dbraw/zinc/50/48/16/551504816.db2.gz GBSOUWJFSRQPPA-CBYYHRJHSA-N 0 0 536.606 3.129 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OC)c4)c(=O)n32)cc1 ZINC000000630862 551504704 /nfs/dbraw/zinc/50/47/04/551504704.db2.gz GBSOUWJFSRQPPA-PNZYDNNZSA-N 0 0 536.606 3.129 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)cc1 ZINC000000630863 551504800 /nfs/dbraw/zinc/50/48/00/551504800.db2.gz BXILVDOHHFKSOJ-RWTNITNYSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC)cc4OC)c(=O)n32)cc1 ZINC000000630866 193858936 /nfs/dbraw/zinc/85/89/36/193858936.db2.gz BXILVDOHHFKSOJ-MFUBYVTQSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)cc1 ZINC000000630899 551505070 /nfs/dbraw/zinc/50/50/70/551505070.db2.gz VGVPEYUTLHGMPT-IGSWSUAKSA-N 0 0 506.580 3.121 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)cc4)c(=O)n32)cc1 ZINC000000630901 193858907 /nfs/dbraw/zinc/85/89/07/193858907.db2.gz VGVPEYUTLHGMPT-YMSBRDKKSA-N 0 0 506.580 3.121 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000630904 551505055 /nfs/dbraw/zinc/50/50/55/551505055.db2.gz HOJHCFATFLZVEO-DLBLZJNESA-N 0 0 508.596 3.214 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000630906 193858923 /nfs/dbraw/zinc/85/89/23/193858923.db2.gz HOJHCFATFLZVEO-FCKOQQNDSA-N 0 0 508.596 3.214 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000631297 193859307 /nfs/dbraw/zinc/85/93/07/193859307.db2.gz OADHIXRXNCJKQV-WLGHQHAYSA-N 0 0 506.580 3.122 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000000631298 193859435 /nfs/dbraw/zinc/85/94/35/193859435.db2.gz OADHIXRXNCJKQV-NLZIUFDSSA-N 0 0 506.580 3.122 50 0 KGAARN COc1cc(/C=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1OC ZINC000000631438 551505026 /nfs/dbraw/zinc/50/50/26/551505026.db2.gz AGHUOVWNGCFLGM-JAORQVBISA-N 0 0 514.625 3.274 50 0 KGAARN COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc(OC)c1OC ZINC000000631441 551505458 /nfs/dbraw/zinc/50/54/58/551505458.db2.gz AGHUOVWNGCFLGM-JCAJYURWSA-N 0 0 514.625 3.274 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000631447 551505414 /nfs/dbraw/zinc/50/54/14/551505414.db2.gz JGUHZBJRSZMGOQ-JAYSWQADSA-N 0 0 566.632 3.140 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000631449 551505455 /nfs/dbraw/zinc/50/54/55/551505455.db2.gz JGUHZBJRSZMGOQ-KEQCBNTKSA-N 0 0 566.632 3.140 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000631649 193859718 /nfs/dbraw/zinc/85/97/18/193859718.db2.gz MUGPFXMYOJNGBA-INJUALFYSA-N 0 0 525.627 3.255 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000631650 551505410 /nfs/dbraw/zinc/50/54/10/551505410.db2.gz MUGPFXMYOJNGBA-HVUZKSCUSA-N 0 0 525.627 3.255 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000631651 551505401 /nfs/dbraw/zinc/50/54/01/551505401.db2.gz MUGPFXMYOJNGBA-VNSJDZJPSA-N 0 0 525.627 3.255 50 0 KGAARN Cn1c2nc(SCC(=O)c3ccc(Cl)cc3)n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000000632669 193860273 /nfs/dbraw/zinc/86/02/73/193860273.db2.gz FDBPRPIOJHUUEQ-MRXNPFEDSA-N 0 0 535.409 3.145 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000632809 551505679 /nfs/dbraw/zinc/50/56/79/551505679.db2.gz JLORHVZDKQOHHA-LJJBLSSYSA-N 0 0 518.522 3.360 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000000632812 551505576 /nfs/dbraw/zinc/50/55/76/551505576.db2.gz JLORHVZDKQOHHA-CVGPFBNFSA-N 0 0 518.522 3.360 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000633306 551505583 /nfs/dbraw/zinc/50/55/83/551505583.db2.gz MKZJVSVQMWLNEU-XSZPGNIMSA-N 0 0 536.606 3.131 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000633308 551505675 /nfs/dbraw/zinc/50/56/75/551505675.db2.gz MKZJVSVQMWLNEU-XXMKCSCWSA-N 0 0 536.606 3.131 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000634974 551505843 /nfs/dbraw/zinc/50/58/43/551505843.db2.gz AIKKBHZJBNYDBO-AQIZGWBQSA-N 0 0 536.606 3.131 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000634976 551505921 /nfs/dbraw/zinc/50/59/21/551505921.db2.gz AIKKBHZJBNYDBO-ZDGAQAAHSA-N 0 0 536.606 3.131 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1 ZINC000000635389 551506092 /nfs/dbraw/zinc/50/60/92/551506092.db2.gz FNQLYXVGOKZZLS-IGSWSUAKSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1 ZINC000000635391 551506040 /nfs/dbraw/zinc/50/60/40/551506040.db2.gz FNQLYXVGOKZZLS-YMSBRDKKSA-N 0 0 508.596 3.213 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635432 551506058 /nfs/dbraw/zinc/50/60/58/551506058.db2.gz NYQIUVYFJBUTBB-VZIOXZNFSA-N 0 0 526.998 3.386 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635435 551506079 /nfs/dbraw/zinc/50/60/79/551506079.db2.gz NYQIUVYFJBUTBB-QCHPHUCNSA-N 0 0 526.998 3.386 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635497 193860844 /nfs/dbraw/zinc/86/08/44/193860844.db2.gz RVFHETIGTDUGCK-JUTHHCEFSA-N 0 0 526.998 3.386 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635499 551506131 /nfs/dbraw/zinc/50/61/31/551506131.db2.gz RVFHETIGTDUGCK-VVOOWDFBSA-N 0 0 526.998 3.386 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000000635598 551506101 /nfs/dbraw/zinc/50/61/01/551506101.db2.gz YXLDQDNPXKGCBX-KEQCBNTKSA-N 0 0 566.632 3.140 50 0 KGAARN COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1 ZINC000000635622 193861302 /nfs/dbraw/zinc/86/13/02/193861302.db2.gz QZROVZLBHCDQON-NFYDWNOTSA-N 0 0 550.633 3.377 50 0 KGAARN COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1 ZINC000000635625 551506107 /nfs/dbraw/zinc/50/61/07/551506107.db2.gz 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000000708773 551532666 /nfs/dbraw/zinc/53/26/66/551532666.db2.gz PAIPNHFAHXJDCO-OFVJEAJMSA-N 0 0 507.612 3.390 50 0 KGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000000709579 551532913 /nfs/dbraw/zinc/53/29/13/551532913.db2.gz VKXVFNRURSIKQD-UHFFFAOYSA-N 0 0 509.433 3.096 50 0 KGAARN COc1ccccc1N(CCOC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000000709807 551532884 /nfs/dbraw/zinc/53/28/84/551532884.db2.gz YGHGHZJRAUIGRX-IBGZPJMESA-N 0 0 519.579 3.247 50 0 KGAARN COc1ccccc1N(CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000000709808 551532862 /nfs/dbraw/zinc/53/28/62/551532862.db2.gz YGHGHZJRAUIGRX-LJQANCHMSA-N 0 0 519.579 3.247 50 0 KGAARN COc1ccc(-n2c(-c3ccc(Br)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC ZINC000000717716 551534785 /nfs/dbraw/zinc/53/47/85/551534785.db2.gz QJCZYAIDUJFRKC-UHFFFAOYSA-N 0 0 510.348 3.122 50 0 KGAARN COc1ccc(CCn2c(-c3ccc(Br)cc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1OC ZINC000000718207 551535173 /nfs/dbraw/zinc/53/51/73/551535173.db2.gz PWBSITIIMHJHHC-UHFFFAOYSA-N 0 0 538.402 3.376 50 0 biogenic KGAARN Cn1c2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O ZINC000000718482 551535222 /nfs/dbraw/zinc/53/52/22/551535222.db2.gz VDZRDUZGHBQIFJ-UHFFFAOYSA-N 0 0 537.495 3.251 50 0 biogenic,in-vitro KGAARN CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc1OCC ZINC000000718557 551535573 /nfs/dbraw/zinc/53/55/73/551535573.db2.gz MUYOLNPGJSRMIZ-UHFFFAOYSA-N 0 0 586.114 3.384 50 0 KGAARN Cn1c2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000000718625 551535560 /nfs/dbraw/zinc/53/55/60/551535560.db2.gz RQLIMVRAHDQVTK-UHFFFAOYSA-N 0 0 519.671 3.231 50 0 KGAARN CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)cc1OCC ZINC000000719721 551536439 /nfs/dbraw/zinc/53/64/39/551536439.db2.gz FREFFXLKMPCBOK-UHFFFAOYSA-N 0 0 586.114 3.384 50 0 biogenic KGAARN 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O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1 ZINC000000724641 551538064 /nfs/dbraw/zinc/53/80/64/551538064.db2.gz SCOKIPCKARCMIW-UHFFFAOYSA-N 0 0 506.076 3.017 50 0 KGAARN Cc1c(NC(=S)N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000725095 551537977 /nfs/dbraw/zinc/53/79/77/551537977.db2.gz QPKJDLNVFMAUGV-KRWDZBQOSA-N 0 0 502.811 3.490 50 0 KGAARN Cc1c(NC(=S)N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c(=O)n(-c2ccccc2)n1C ZINC000000725096 551538022 /nfs/dbraw/zinc/53/80/22/551538022.db2.gz QPKJDLNVFMAUGV-QGZVFWFLSA-N 0 0 502.811 3.490 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccccc1OCC ZINC000000726206 551538425 /nfs/dbraw/zinc/53/84/25/551538425.db2.gz WRAFILZIMLFCKH-FCKOQQNDSA-N 0 0 508.596 3.214 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000000726208 551538420 /nfs/dbraw/zinc/53/84/20/551538420.db2.gz WRAFILZIMLFCKH-DLBLZJNESA-N 0 0 508.596 3.214 50 0 KGAARN 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0 0 577.622 3.282 50 0 KGAARN CN1O[C@@H]2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@H]1c1coc2ccccc2c1=O ZINC000001393892 551661020 /nfs/dbraw/zinc/66/10/20/551661020.db2.gz BEXYXJIGSNKGHN-LMMKCTJWSA-N 0 0 522.867 3.244 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001409481 551663915 /nfs/dbraw/zinc/66/39/15/551663915.db2.gz OGYQDWICIWOFMB-PNZYDNNZSA-N 0 0 547.633 3.316 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001409483 551663887 /nfs/dbraw/zinc/66/38/87/551663887.db2.gz OGYQDWICIWOFMB-CBYYHRJHSA-N 0 0 547.633 3.316 50 0 KGAARN Cc1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000001414174 551666318 /nfs/dbraw/zinc/66/63/18/551666318.db2.gz UNEMJGYGPZZZRI-UHFFFAOYSA-N 0 0 519.561 3.412 50 0 KGAARN COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCc2ccccc2)cc1OC ZINC000001414671 551666403 /nfs/dbraw/zinc/66/64/03/551666403.db2.gz JSSQHAUZULZHMR-JLPGSUDCSA-N 0 0 562.648 3.400 50 0 KGAARN Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2)c2ccccc2c1=O ZINC000001420943 551668417 /nfs/dbraw/zinc/66/84/17/551668417.db2.gz RWAZXMXSNLLCGV-UHFFFAOYSA-N 0 0 537.576 3.062 50 0 KGAARN CCCC12CN(S(=O)(=O)c3ccc(C)cc3)CC(C)(CN(S(=O)(=O)c3ccc(C)cc3)C1)C2=O ZINC000001421094 551668362 /nfs/dbraw/zinc/66/83/62/551668362.db2.gz MCJWWHPFVHYDNR-UHFFFAOYSA-N 0 0 504.674 3.374 50 0 KGAARN CN1C2=C(C(=O)N(c3ccc(N4CC5=C(C4=O)[C@@H](c4ccc(O)cc4)NC(=O)N5C)cc3)C2)[C@@H](c2ccc(O)cc2)NC1=O ZINC000001425496 551669255 /nfs/dbraw/zinc/66/92/55/551669255.db2.gz CTBXRKCFBZGCOB-VSGBNLITSA-N 0 0 592.612 3.092 50 0 KGAARN CN1C2=C(C(=O)N(c3ccc(N4CC5=C(C4=O)[C@H](c4ccc(O)cc4)NC(=O)N5C)cc3)C2)[C@H](c2ccc(O)cc2)NC1=O ZINC000001425499 551669321 /nfs/dbraw/zinc/66/93/21/551669321.db2.gz CTBXRKCFBZGCOB-NSOVKSMOSA-N 0 0 592.612 3.092 50 0 KGAARN Cn1c2nc(SCC(=O)Nc3ccccc3F)n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O ZINC000001425919 551669305 /nfs/dbraw/zinc/66/93/05/551669305.db2.gz CGTYJHMTHJRTKY-UHFFFAOYSA-N 0 0 521.496 3.371 50 0 KGAARN CCOC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000001427108 551669385 /nfs/dbraw/zinc/66/93/85/551669385.db2.gz AUIXGUJTVAKULZ-UHFFFAOYSA-N 0 0 502.449 3.470 50 0 KGAARN Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001429008 551669696 /nfs/dbraw/zinc/66/96/96/551669696.db2.gz RXWMGFVLZOIXTL-UHFFFAOYSA-N 0 0 506.926 3.416 50 0 KGAARN COC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001442248 551673472 /nfs/dbraw/zinc/67/34/72/551673472.db2.gz FHNAEWLRCLGCMD-QFIPXVFZSA-N 0 0 510.568 3.245 50 0 KGAARN COC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001442250 551673510 /nfs/dbraw/zinc/67/35/10/551673510.db2.gz FHNAEWLRCLGCMD-JOCHJYFZSA-N 0 0 510.568 3.245 50 0 KGAARN COc1ccc(N2C[C@@H](C(=O)OCCN(C3=NS(=O)(=O)c4ccccc43)c3ccccc3)CC2=O)cc1 ZINC000001462439 551679626 /nfs/dbraw/zinc/67/96/26/551679626.db2.gz YECUCUWSPABVGG-IBGZPJMESA-N 0 0 519.579 3.247 50 0 KGAARN COc1ccc(N2C[C@H](C(=O)OCCN(C3=NS(=O)(=O)c4ccccc43)c3ccccc3)CC2=O)cc1 ZINC000001462440 551679660 /nfs/dbraw/zinc/67/96/60/551679660.db2.gz YECUCUWSPABVGG-LJQANCHMSA-N 0 0 519.579 3.247 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000001466793 551679964 /nfs/dbraw/zinc/67/99/64/551679964.db2.gz XHHDIVPMSCJDPV-HOGKFDNTSA-N 0 0 519.648 3.257 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3\c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000001466795 551680017 /nfs/dbraw/zinc/68/00/17/551680017.db2.gz XHHDIVPMSCJDPV-MOBKVPTQSA-N 0 0 519.648 3.257 50 0 KGAARN O=S(=O)(c1ccc2c(c1)Cc1cc(S(=O)(=O)n3nnc4ccccc43)ccc1-2)n1nnc2ccccc21 ZINC000001471048 551680434 /nfs/dbraw/zinc/68/04/34/551680434.db2.gz ZAPYFKNAWJOCAF-UHFFFAOYSA-N 0 0 528.575 3.221 50 0 KGAARN O=C(NCCN1CCOCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br ZINC000001507264 551683179 /nfs/dbraw/zinc/68/31/79/551683179.db2.gz VOUIOLRTPBHMKM-UHFFFAOYSA-N 0 0 504.332 3.301 50 0 KGAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1OC ZINC000001746960 551692138 /nfs/dbraw/zinc/69/21/38/551692138.db2.gz ZSJCVLHBRIMFRH-LICLKQGHSA-N 0 0 501.586 3.418 50 0 KGAARN CCOC(=O)CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(OCC(=O)NC)cc3)c3ccccc32)ccc1C ZINC000001748113 551692438 /nfs/dbraw/zinc/69/24/38/551692438.db2.gz SMXDTYAWSPQQLE-UHFFFAOYSA-N 0 0 563.636 3.315 50 0 KGAARN CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000001755385 551693569 /nfs/dbraw/zinc/69/35/69/551693569.db2.gz GOPJXWHWLXBUFC-IEUUHXEXSA-N 0 0 572.708 3.425 50 0 KGAARN CCOC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000001755390 551693532 /nfs/dbraw/zinc/69/35/32/551693532.db2.gz GOPJXWHWLXBUFC-IURUZKCNSA-N 0 0 572.708 3.425 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001755758 551693476 /nfs/dbraw/zinc/69/34/76/551693476.db2.gz FOKBQHSJPQRBAZ-LJJBLSSYSA-N 0 0 526.998 3.004 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001755762 551693564 /nfs/dbraw/zinc/69/35/64/551693564.db2.gz FOKBQHSJPQRBAZ-CVGPFBNFSA-N 0 0 526.998 3.004 50 0 KGAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cc(=O)c2c(O)c(-c3ccc4c(c3)OCCO4)coc-2c1 ZINC000001758814 551694100 /nfs/dbraw/zinc/69/41/00/551694100.db2.gz VUAWWDOTSSJERT-OAQYLSRUSA-N 0 0 531.517 3.216 50 0 biogenic KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001760260 551694154 /nfs/dbraw/zinc/69/41/54/551694154.db2.gz KLDVWMTTXCLKPL-ZCCPQQFYSA-N 0 0 583.622 3.347 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001760265 551694062 /nfs/dbraw/zinc/69/40/62/551694062.db2.gz KLDVWMTTXCLKPL-ULWNEYHBSA-N 0 0 583.622 3.347 50 0 KGAARN COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000001773349 551696930 /nfs/dbraw/zinc/69/69/30/551696930.db2.gz FIQCHKMDYGMAHF-YVJFHRMNSA-N 0 0 558.681 3.035 50 0 KGAARN COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000001773351 551696927 /nfs/dbraw/zinc/69/69/27/551696927.db2.gz FIQCHKMDYGMAHF-YLXJWSIRSA-N 0 0 558.681 3.035 50 0 KGAARN COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000001773353 551697114 /nfs/dbraw/zinc/69/71/14/551697114.db2.gz FIQCHKMDYGMAHF-ICBIFTLVSA-N 0 0 558.681 3.035 50 0 KGAARN COC(=O)C1=c2sc(=Cc3ccc(C)cc3)c(=O)n2C(=N)C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000001773355 551697132 /nfs/dbraw/zinc/69/71/32/551697132.db2.gz FIQCHKMDYGMAHF-PSJJOBAMSA-N 0 0 558.681 3.035 50 0 KGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000001774440 551697098 /nfs/dbraw/zinc/69/70/98/551697098.db2.gz RXRRKDKDGWJWFV-UIOOFZCWSA-N 0 0 519.623 3.266 50 0 biogenic KGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000001774441 551697077 /nfs/dbraw/zinc/69/70/77/551697077.db2.gz RXRRKDKDGWJWFV-FTJBHMTQSA-N 0 0 519.623 3.266 50 0 biogenic KGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000001774443 551697115 /nfs/dbraw/zinc/69/71/15/551697115.db2.gz RXRRKDKDGWJWFV-IZZNHLLZSA-N 0 0 519.623 3.266 50 0 biogenic KGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000001774444 551697125 /nfs/dbraw/zinc/69/71/25/551697125.db2.gz RXRRKDKDGWJWFV-CLJLJLNGSA-N 0 0 519.623 3.266 50 0 biogenic KGAARN O=C(CN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1cccc(Cl)c1 ZINC000001777708 1059534730 /nfs/dbraw/zinc/53/47/30/1059534730.db2.gz ORDHZJVAUPAUKA-FZFLATATSA-N 0 0 548.067 3.084 50 0 KGAARN NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC3=C(Cl)C(=O)N(CCc4ccccc4)C3=O)c2)cc1 ZINC000001785748 551700186 /nfs/dbraw/zinc/70/01/86/551700186.db2.gz GQLFUNKXCZTXOA-UHFFFAOYSA-N 0 0 524.986 3.060 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001789798 551701283 /nfs/dbraw/zinc/70/12/83/551701283.db2.gz HTOBCWKEKUJSMZ-LJJBLSSYSA-N 0 0 529.014 3.095 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001789802 551701242 /nfs/dbraw/zinc/70/12/42/551701242.db2.gz HTOBCWKEKUJSMZ-CVGPFBNFSA-N 0 0 529.014 3.095 50 0 KGAARN CC1=C(C(=O)Nc2ccc(I)cc2)[C@@H](c2ccc3c(c2)OCO3)n2nc(CCCO)nc2N1 ZINC000001795610 551702634 /nfs/dbraw/zinc/70/26/34/551702634.db2.gz CWKNFYKNEWOTTC-OAQYLSRUSA-N 0 0 559.364 3.464 50 0 KGAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000001805274 551704612 /nfs/dbraw/zinc/70/46/12/551704612.db2.gz MNJDRJDVPXLKOQ-UGUGFTGJSA-N 0 0 501.608 3.232 50 0 KGAARN CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000001805277 551704563 /nfs/dbraw/zinc/70/45/63/551704563.db2.gz MNJDRJDVPXLKOQ-FEYWKWKCSA-N 0 0 501.608 3.232 50 0 KGAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(=O)OC)[C@H]1c1c(F)cccc1Cl ZINC000001806027 551704580 /nfs/dbraw/zinc/70/45/80/551704580.db2.gz MAZYNDWSXCTATA-FJJYYWMZSA-N 0 0 567.397 3.135 50 0 KGAARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3c(F)cccc3Cl)sc2=C(C(=O)OC)[C@@H]1c1c(F)cccc1Cl ZINC000001806030 551704595 /nfs/dbraw/zinc/70/45/95/551704595.db2.gz MAZYNDWSXCTATA-CFINBHSISA-N 0 0 567.397 3.135 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001807204 551704718 /nfs/dbraw/zinc/70/47/18/551704718.db2.gz OCPKOPHWUIZPTB-UHFFFAOYSA-N 0 0 502.574 3.205 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000001816491 551707656 /nfs/dbraw/zinc/70/76/56/551707656.db2.gz MUGPFXMYOJNGBA-VOZFUJEASA-N 0 0 525.627 3.255 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001819032 551708470 /nfs/dbraw/zinc/70/84/70/551708470.db2.gz UNUFEFGDNSZXOU-IGSWSUAKSA-N 0 0 557.024 3.012 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001819034 551708453 /nfs/dbraw/zinc/70/84/53/551708453.db2.gz UNUFEFGDNSZXOU-YMSBRDKKSA-N 0 0 557.024 3.012 50 0 KGAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001819250 551708461 /nfs/dbraw/zinc/70/84/61/551708461.db2.gz SZOCUXZJSLIMRK-MRXNPFEDSA-N 0 0 500.602 3.466 50 0 KGAARN COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 ZINC000001819251 551708462 /nfs/dbraw/zinc/70/84/62/551708462.db2.gz SZOCUXZJSLIMRK-INIZCTEOSA-N 0 0 500.602 3.466 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccccc1Cl ZINC000001821499 551708824 /nfs/dbraw/zinc/70/88/24/551708824.db2.gz HIKPNDXMVLQGHP-LJJBLSSYSA-N 0 0 526.998 3.004 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccccc1Cl ZINC000001821501 551708798 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543.645 3.359 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C(C)=O)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002059859 551741672 /nfs/dbraw/zinc/74/16/72/551741672.db2.gz LHQPYVLSNMVZNI-QQYUXEJHSA-N 0 0 543.645 3.359 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002059861 551741696 /nfs/dbraw/zinc/74/16/96/551741696.db2.gz MLRRSDVPXNWUKH-FEYWKWKCSA-N 0 0 515.635 3.442 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(C)C3=O)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002059863 551741668 /nfs/dbraw/zinc/74/16/68/551741668.db2.gz MLRRSDVPXNWUKH-UGUGFTGJSA-N 0 0 515.635 3.442 50 0 KGAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059905 551741978 /nfs/dbraw/zinc/74/19/78/551741978.db2.gz HIHOLPTWARFTOX-SADKCHQCSA-N 0 0 507.999 3.188 50 0 KGAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N=3)C1=O ZINC000002059907 551741950 /nfs/dbraw/zinc/74/19/50/551741950.db2.gz HIHOLPTWARFTOX-AGGMBTAESA-N 0 0 507.999 3.188 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002059968 551741984 /nfs/dbraw/zinc/74/19/84/551741984.db2.gz UUQPIUOHSCBRME-WLJFKGHSSA-N 0 0 541.423 3.486 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002059970 551741957 /nfs/dbraw/zinc/74/19/57/551741957.db2.gz UUQPIUOHSCBRME-VLOXRPPESA-N 0 0 541.423 3.486 50 0 KGAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063847 551744539 /nfs/dbraw/zinc/74/45/39/551744539.db2.gz HNWJNTOYVAMQOQ-UGUGFTGJSA-N 0 0 501.608 3.315 50 0 KGAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063849 551744536 /nfs/dbraw/zinc/74/45/36/551744536.db2.gz HNWJNTOYVAMQOQ-FEYWKWKCSA-N 0 0 501.608 3.315 50 0 KGAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063863 551744814 /nfs/dbraw/zinc/74/48/14/551744814.db2.gz LVHVQKYFNUSVRV-QQYUXEJHSA-N 0 0 531.634 3.324 50 0 KGAARN CCCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000002063865 551744797 /nfs/dbraw/zinc/74/47/97/551744797.db2.gz LVHVQKYFNUSVRV-MYXKAAJQSA-N 0 0 531.634 3.324 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002063930 551744780 /nfs/dbraw/zinc/74/47/80/551744780.db2.gz GOGSCQZGRREEMW-SADKCHQCSA-N 0 0 507.999 3.188 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002063932 551744845 /nfs/dbraw/zinc/74/48/45/551744845.db2.gz GOGSCQZGRREEMW-AGGMBTAESA-N 0 0 507.999 3.188 50 0 KGAARN COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068169 551746082 /nfs/dbraw/zinc/74/60/82/551746082.db2.gz QTQVIERYYHKCCU-AMZMEHNNSA-N 0 0 505.162 3.065 50 0 KGAARN COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068172 551746046 /nfs/dbraw/zinc/74/60/46/551746046.db2.gz QTQVIERYYHKCCU-FBIZOPLVSA-N 0 0 505.162 3.065 50 0 KGAARN CCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068173 551746086 /nfs/dbraw/zinc/74/60/86/551746086.db2.gz ODQYFUXNJBTGBK-HTAFUYNTSA-N 0 0 519.189 3.455 50 0 KGAARN CCOC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002068174 551746038 /nfs/dbraw/zinc/74/60/38/551746038.db2.gz ODQYFUXNJBTGBK-OTXOEQGISA-N 0 0 519.189 3.455 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000002071013 551747118 /nfs/dbraw/zinc/74/71/18/551747118.db2.gz FYTSRBFNSFQQGM-WVWKGNOCSA-N 0 0 512.609 3.184 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000002071014 551747078 /nfs/dbraw/zinc/74/70/78/551747078.db2.gz FYTSRBFNSFQQGM-VLOXRPPESA-N 0 0 512.609 3.184 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000002071015 551747085 /nfs/dbraw/zinc/74/70/85/551747085.db2.gz FYTSRBFNSFQQGM-IMEWXKHHSA-N 0 0 512.609 3.184 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2[C@H]1c1cccs1 ZINC000002071016 551747074 /nfs/dbraw/zinc/74/70/74/551747074.db2.gz FYTSRBFNSFQQGM-WLJFKGHSSA-N 0 0 512.609 3.184 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 ZINC000002075590 551749704 /nfs/dbraw/zinc/74/97/04/551749704.db2.gz WZXRESFMWPKZET-SQWSFHKJSA-N 0 0 576.412 3.117 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000002075592 551749688 /nfs/dbraw/zinc/74/96/88/551749688.db2.gz WZXRESFMWPKZET-JKALPCAWSA-N 0 0 576.412 3.117 50 0 KGAARN CCOc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002087547 551757013 /nfs/dbraw/zinc/75/70/13/551757013.db2.gz LKQXDSSDFXZCGS-MEYXWREJSA-N 0 0 570.646 3.187 50 0 biogenic KGAARN CCOc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002087550 551757091 /nfs/dbraw/zinc/75/70/91/551757091.db2.gz LKQXDSSDFXZCGS-MODXFSQWSA-N 0 0 570.646 3.187 50 0 biogenic KGAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1 ZINC000002089283 551758353 /nfs/dbraw/zinc/75/83/53/551758353.db2.gz XKGCASCABXIEAL-ZCCPQQFYSA-N 0 0 552.612 3.213 50 0 KGAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1 ZINC000002089285 551758342 /nfs/dbraw/zinc/75/83/42/551758342.db2.gz XKGCASCABXIEAL-ULWNEYHBSA-N 0 0 552.612 3.213 50 0 KGAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N32)cc1 ZINC000002092611 551759333 /nfs/dbraw/zinc/75/93/33/551759333.db2.gz QJIPBLDBFJECMF-VBOOUTDYSA-N 0 0 509.562 3.373 50 0 biogenic KGAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@H](O)c4ccccc4)CC(=O)N23)cc1 ZINC000002092613 551759325 /nfs/dbraw/zinc/75/93/25/551759325.db2.gz QJIPBLDBFJECMF-PNIUZAESSA-N 0 0 509.562 3.373 50 0 biogenic KGAARN COC(=O)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H](O)c4ccccc4)CC(=O)N32)cc1 ZINC000002092615 551759322 /nfs/dbraw/zinc/75/93/22/551759322.db2.gz QJIPBLDBFJECMF-OARDWFSCSA-N 0 0 509.562 3.373 50 0 biogenic KGAARN COC(=O)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C[C@@H](O)c4ccccc4)CC(=O)N23)cc1 ZINC000002092617 551759266 /nfs/dbraw/zinc/75/92/66/551759266.db2.gz QJIPBLDBFJECMF-BXTSTYNKSA-N 0 0 509.562 3.373 50 0 biogenic KGAARN CCOC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002094245 551760305 /nfs/dbraw/zinc/76/03/05/551760305.db2.gz SHCLQYDJEBZSTH-VTZPFEBOSA-N 0 0 528.609 3.404 50 0 biogenic KGAARN CC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000002095149 551761074 /nfs/dbraw/zinc/76/10/74/551761074.db2.gz UIZBDNLQEIRAGG-SLSDLSHTSA-N 0 0 513.598 3.185 50 0 biogenic KGAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc(Cl)cc3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000002107014 551764745 /nfs/dbraw/zinc/76/47/45/551764745.db2.gz PAQDFCWFNIOKLG-HNMNOHOESA-N 0 0 531.012 3.433 50 0 KGAARN CC(C)[C@@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)N1C(=O)c2ccccc2C1=O ZINC000002107492 551764733 /nfs/dbraw/zinc/76/47/33/551764733.db2.gz BYLPAFIYZWIQCN-QFIPXVFZSA-N 0 0 554.650 3.090 50 0 KGAARN CC(C)[C@H](C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)N1C(=O)c2ccccc2C1=O ZINC000002107494 551764734 /nfs/dbraw/zinc/76/47/34/551764734.db2.gz BYLPAFIYZWIQCN-JOCHJYFZSA-N 0 0 554.650 3.090 50 0 KGAARN Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000002110695 551767098 /nfs/dbraw/zinc/76/70/98/551767098.db2.gz IBWNNXVKFROASK-YKGWIAGDSA-N 0 0 518.610 3.341 50 0 biogenic KGAARN O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc(Cl)cc3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)C1 ZINC000002114744 551769211 /nfs/dbraw/zinc/76/92/11/551769211.db2.gz PAQDFCWFNIOKLG-CGQTXMLISA-N 0 0 531.012 3.433 50 0 KGAARN COC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000002127302 551772255 /nfs/dbraw/zinc/77/22/55/551772255.db2.gz UABGSVNDWOGHBM-SCLBCKFNSA-N 0 0 515.592 3.355 50 0 KGAARN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1OC ZINC000002133432 551773065 /nfs/dbraw/zinc/77/30/65/551773065.db2.gz OZPJELXQAXGZCQ-JTSJOTPCSA-N 0 0 540.620 3.263 50 0 biogenic KGAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002145697 551776143 /nfs/dbraw/zinc/77/61/43/551776143.db2.gz FPRTZSGXKGQZBD-XMMPIXPASA-N 0 0 536.581 3.301 50 0 biogenic KGAARN COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccc(OC)c(OC)c3)c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002145699 551776138 /nfs/dbraw/zinc/77/61/38/551776138.db2.gz FPRTZSGXKGQZBD-DEOSSOPVSA-N 0 0 536.581 3.301 50 0 biogenic KGAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N32)cc(OC)c1OC ZINC000002149907 551777968 /nfs/dbraw/zinc/77/79/68/551777968.db2.gz GKZSVBLZGICNGG-GZAUMTHMSA-N 0 0 505.571 3.058 50 0 biogenic KGAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N32)cc(OC)c1OC ZINC000002149910 551777941 /nfs/dbraw/zinc/77/79/41/551777941.db2.gz GKZSVBLZGICNGG-HIIGZGGBSA-N 0 0 505.571 3.058 50 0 biogenic KGAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)cc(OC)c1OC ZINC000002149913 551777919 /nfs/dbraw/zinc/77/79/19/551777919.db2.gz GKZSVBLZGICNGG-GYDRKIPBSA-N 0 0 505.571 3.058 50 0 biogenic KGAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)cc(OC)c1OC ZINC000002149916 551777938 /nfs/dbraw/zinc/77/79/38/551777938.db2.gz GKZSVBLZGICNGG-JHACJNOPSA-N 0 0 505.571 3.058 50 0 biogenic KGAARN COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCCCO)CC(=O)N32)cc(OC)c1OC ZINC000002153558 551779366 /nfs/dbraw/zinc/77/93/66/551779366.db2.gz XMNIUZONIYFANF-LVXARBLLSA-N 0 0 507.587 3.041 50 0 biogenic KGAARN COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCCCO)CC(=O)N23)cc(OC)c1OC ZINC000002153560 551779355 /nfs/dbraw/zinc/77/93/55/551779355.db2.gz XMNIUZONIYFANF-HFZDXXHNSA-N 0 0 507.587 3.041 50 0 biogenic KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162581 551781015 /nfs/dbraw/zinc/78/10/15/551781015.db2.gz WRVKQMKLHZFGRH-FSFYKJEYSA-N 0 0 568.607 3.436 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc4c(c3)OCCO4)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162584 551781012 /nfs/dbraw/zinc/78/10/12/551781012.db2.gz WRVKQMKLHZFGRH-ZUCAMLDZSA-N 0 0 568.607 3.436 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162702 551781104 /nfs/dbraw/zinc/78/11/04/551781104.db2.gz NSGWRPMFWBPJDR-CJIXEESDSA-N 0 0 556.596 3.379 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162706 551781140 /nfs/dbraw/zinc/78/11/40/551781140.db2.gz NSGWRPMFWBPJDR-ZDZYTSRMSA-N 0 0 556.596 3.379 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162728 551781145 /nfs/dbraw/zinc/78/11/45/551781145.db2.gz PLHZSRCUEFQWMX-CJIXEESDSA-N 0 0 556.596 3.379 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162732 551781096 /nfs/dbraw/zinc/78/10/96/551781096.db2.gz PLHZSRCUEFQWMX-ZDZYTSRMSA-N 0 0 556.596 3.379 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000002162747 551781136 /nfs/dbraw/zinc/78/11/36/551781136.db2.gz XCOGTEDZJXWNIR-CJIXEESDSA-N 0 0 586.622 3.387 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000002162753 551781123 /nfs/dbraw/zinc/78/11/23/551781123.db2.gz XCOGTEDZJXWNIR-ZDZYTSRMSA-N 0 0 586.622 3.387 50 0 KGAARN O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1 ZINC000002162792 551781148 /nfs/dbraw/zinc/78/11/48/551781148.db2.gz RHFIXCKKYYGOKW-UHFFFAOYSA-N 0 0 511.658 3.433 50 0 KGAARN CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)sc2=N1 ZINC000002177430 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C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)Cn1nnc2ccccc21 ZINC000008694403 553119461 /nfs/dbraw/zinc/11/94/61/553119461.db2.gz SVVJBRQSLDVXKB-HXUWFJFHSA-N 0 0 516.577 3.463 50 0 KGAARN CC(C)[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000008694422 553119871 /nfs/dbraw/zinc/11/98/71/553119871.db2.gz JEXQVZUZKHYXQZ-NDEPHWFRSA-N 0 0 527.629 3.355 50 0 KGAARN CC(C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000008694423 553119838 /nfs/dbraw/zinc/11/98/38/553119838.db2.gz JEXQVZUZKHYXQZ-MUUNZHRXSA-N 0 0 527.629 3.355 50 0 KGAARN CC(C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000008694428 553119845 /nfs/dbraw/zinc/11/98/45/553119845.db2.gz GRHGKRGQPBGFJK-UHFFFAOYSA-N 0 0 513.602 3.109 50 0 KGAARN CC[C@@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000008694429 553119816 /nfs/dbraw/zinc/11/98/16/553119816.db2.gz LCIOJDBDQQSDFE-LJAQVGFWSA-N 0 0 527.629 3.499 50 0 KGAARN CC[C@](C)(C(=O)Nc1ccc(N2CCOCC2)cc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21 ZINC000008694430 553119830 /nfs/dbraw/zinc/11/98/30/553119830.db2.gz LCIOJDBDQQSDFE-GDLZYMKVSA-N 0 0 527.629 3.499 50 0 KGAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008695428 553121700 /nfs/dbraw/zinc/12/17/00/553121700.db2.gz SAPWBXNMMYHAGH-NRFANRHFSA-N 0 0 520.659 3.473 50 0 KGAARN Cc1cc(C)nc(SCC(=O)N(Cc2cccnc2)[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)n1 ZINC000008695429 553121725 /nfs/dbraw/zinc/12/17/25/553121725.db2.gz SAPWBXNMMYHAGH-OAQYLSRUSA-N 0 0 520.659 3.473 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000008695546 553121815 /nfs/dbraw/zinc/12/18/15/553121815.db2.gz WWQOTFOTKKTTMR-HZHYMEEXSA-N 0 0 527.602 3.348 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000008695547 553121915 /nfs/dbraw/zinc/12/19/15/553121915.db2.gz WWQOTFOTKKTTMR-VFHYMGCCSA-N 0 0 527.602 3.348 50 0 KGAARN 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/nfs/dbraw/zinc/13/30/42/553133042.db2.gz YIOUJXRPGJCSLE-UHFFFAOYSA-N 0 0 502.458 3.419 50 0 KGAARN COc1ccc(NC(=O)[C@@H](c2csnn2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000008748744 553134431 /nfs/dbraw/zinc/13/44/31/553134431.db2.gz KLEHUJYYPYRXIS-XMMPIXPASA-N 0 0 561.576 3.153 50 0 KGAARN COc1ccc(NC(=O)[C@H](c2csnn2)N(Cc2ccco2)C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000008748750 553134460 /nfs/dbraw/zinc/13/44/60/553134460.db2.gz KLEHUJYYPYRXIS-DEOSSOPVSA-N 0 0 561.576 3.153 50 0 KGAARN COc1ccccc1N(C[C@@H](O)CN(c1ccccc1C)S(C)(=O)=O)S(=O)(=O)c1ccccc1 ZINC000008753960 553135734 /nfs/dbraw/zinc/13/57/34/553135734.db2.gz OVBOUXYOOLZFRZ-FQEVSTJZSA-N 0 0 504.630 3.026 50 0 KGAARN COc1ccccc1N(C[C@H](O)CN(c1ccccc1C)S(C)(=O)=O)S(=O)(=O)c1ccccc1 ZINC000008753962 553135804 /nfs/dbraw/zinc/13/58/04/553135804.db2.gz OVBOUXYOOLZFRZ-HXUWFJFHSA-N 0 0 504.630 3.026 50 0 KGAARN O=S(=O)(c1nnn2c1nc(N1CCN(c3ccccn3)CC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000008756794 553136276 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CCOC(=O)c1sc(NC(=O)Cn2c(=O)c(CC)c(C)nc2-n2nc(C)cc2C)c(C(=O)OCC)c1C ZINC000008768916 553140188 /nfs/dbraw/zinc/14/01/88/553140188.db2.gz HLPGJKDQSZDWSR-UHFFFAOYSA-N 0 0 529.619 3.279 50 0 KGAARN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000008769665 553140563 /nfs/dbraw/zinc/14/05/63/553140563.db2.gz BKZLTYOZHKWWND-CYFREDJKSA-N 0 0 511.022 3.223 50 0 KGAARN COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3nnn(-c4ccccc4)c3-c3ccccc3)s2)cc1 ZINC000008770702 553141004 /nfs/dbraw/zinc/14/10/04/553141004.db2.gz BIOZFIFQEASLFE-HYOGKJQXSA-N 0 0 567.631 3.404 50 0 KGAARN COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3nnn(-c4ccc(F)cc4)c3C)s2)cc1 ZINC000008770741 553140993 /nfs/dbraw/zinc/14/09/93/553140993.db2.gz GKJVOCDBSCDMQX-PNHLSOANSA-N 0 0 521.578 3.338 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)C=C(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1 ZINC000008771822 553141309 /nfs/dbraw/zinc/14/13/09/553141309.db2.gz RXNKKOPVTCNIKB-UHFFFAOYSA-N 0 0 510.550 3.069 50 0 KGAARN O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000008773070 553141507 /nfs/dbraw/zinc/14/15/07/553141507.db2.gz GLOILQUMTZOHJA-UHFFFAOYSA-N 0 0 500.417 3.277 50 0 KGAARN CCOc1cc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)ccc1OCC(=O)N1CCOCC1 ZINC000008773135 553141501 /nfs/dbraw/zinc/14/15/01/553141501.db2.gz OUZDCASZKHFZGF-UHFFFAOYSA-N 0 0 526.373 3.129 50 0 KGAARN CCOc1ccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)c(OC)c4)C3=O)CC2=O)cc1 ZINC000008773150 553141566 /nfs/dbraw/zinc/14/15/66/553141566.db2.gz NDHSJFXRLLFLGU-NLKUQUHMSA-N 0 0 539.610 3.308 50 0 KGAARN CCOc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C\c4ccc(OC)c(OC)c4)C3=O)CC2=O)cc1 ZINC000008773151 553141541 /nfs/dbraw/zinc/14/15/41/553141541.db2.gz NDHSJFXRLLFLGU-PVFDWLMNSA-N 0 0 539.610 3.308 50 0 KGAARN CCCCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000008773155 553141558 /nfs/dbraw/zinc/14/15/58/553141558.db2.gz SQEWZIXOGBCZIM-UHFFFAOYSA-N 0 0 563.684 3.380 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000008774492 553142099 /nfs/dbraw/zinc/14/20/99/553142099.db2.gz YDAUPXMZSDTYOR-UNOMPAQXSA-N 0 0 570.476 3.481 50 0 aggregator KGAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000008774701 553142350 /nfs/dbraw/zinc/14/23/50/553142350.db2.gz FZJVVSGUPCHUGG-UHFFFAOYSA-N 0 0 517.648 3.235 50 0 KGAARN COc1ccc(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl ZINC000008774736 553142389 /nfs/dbraw/zinc/14/23/89/553142389.db2.gz QYIBZXMTOIPDDS-BQYQJAHWSA-N 0 0 511.314 3.230 50 0 KGAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000008774754 553142336 /nfs/dbraw/zinc/14/23/36/553142336.db2.gz XXNYDHCOOMHITD-VWLOTQADSA-N 0 0 521.595 3.480 50 0 aggregator KGAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000008774759 553142384 /nfs/dbraw/zinc/14/23/84/553142384.db2.gz XXNYDHCOOMHITD-RUZDIDTESA-N 0 0 521.595 3.480 50 0 aggregator KGAARN Cn1c2nc(NCCc3c[nH]c4ccccc34)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000008775655 553142369 /nfs/dbraw/zinc/14/23/69/553142369.db2.gz ODNYPSLFSFQMIZ-UHFFFAOYSA-N 0 0 507.392 3.380 50 0 KGAARN O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000008788804 553144983 /nfs/dbraw/zinc/14/49/83/553144983.db2.gz JRBJEDOXHGVGOS-SVBPBHIXSA-N 0 0 511.622 3.073 50 0 biogenic KGAARN CCOC(=O)N1CCN(c2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000008789088 553145403 /nfs/dbraw/zinc/14/54/03/553145403.db2.gz FGXJMTJPMFNIPL-NRFANRHFSA-N 0 0 525.602 3.142 50 0 biogenic KGAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008791467 553147024 /nfs/dbraw/zinc/14/70/24/553147024.db2.gz IUQKPEWTPWWDDM-BDFQYQKBSA-N 0 0 508.578 3.468 50 0 biogenic KGAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791468 553147044 /nfs/dbraw/zinc/14/70/44/553147044.db2.gz IUQKPEWTPWWDDM-ZWAUOJDLSA-N 0 0 508.578 3.468 50 0 biogenic KGAARN COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21 ZINC000008791553 553147076 /nfs/dbraw/zinc/14/70/76/553147076.db2.gz UDVYPIVONXPYJD-KYPHJKQUSA-N 0 0 502.615 3.321 50 0 biogenic KGAARN COCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000008791554 553147057 /nfs/dbraw/zinc/14/70/57/553147057.db2.gz UDVYPIVONXPYJD-GNKBHMEESA-N 0 0 502.615 3.321 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000008791559 553147277 /nfs/dbraw/zinc/14/72/77/553147277.db2.gz KRFNIBVBZRNIBR-NMNXAZNXSA-N 0 0 514.626 3.464 50 0 biogenic KGAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC ZINC000008791565 553147227 /nfs/dbraw/zinc/14/72/27/553147227.db2.gz OPGBRKUVCJTXEJ-GFUVIIAASA-N 0 0 502.615 3.321 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000008791609 553147236 /nfs/dbraw/zinc/14/72/36/553147236.db2.gz HDXGXPZKHKFKEG-VRKGNZAUSA-N 0 0 508.578 3.468 50 0 biogenic KGAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2C(N)=O)C1 ZINC000008793175 553147949 /nfs/dbraw/zinc/14/79/49/553147949.db2.gz SHSCKCJBUJSNRV-IYBDPMFKSA-N 0 0 504.678 3.144 50 0 KGAARN CCOc1ccc(CCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4)cc32)cc1OCC ZINC000008811412 553149109 /nfs/dbraw/zinc/14/91/09/553149109.db2.gz XAJOPYHTUUHZIK-UHFFFAOYSA-N 0 0 513.616 3.083 50 0 KGAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCc1ccccc1)C(=O)CS2 ZINC000008812633 553150084 /nfs/dbraw/zinc/15/00/84/553150084.db2.gz WDDPAICSAPKHRD-UHFFFAOYSA-N 0 0 501.674 3.437 50 0 KGAARN COc1cccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)c1 ZINC000008812969 553150595 /nfs/dbraw/zinc/15/05/95/553150595.db2.gz SHXGXERSPYYJBT-UHFFFAOYSA-N 0 0 517.673 3.404 50 0 KGAARN COc1ccccc1N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000008813575 553151168 /nfs/dbraw/zinc/15/11/68/553151168.db2.gz GZDWBTKOXBYWBR-UHFFFAOYSA-N 0 0 528.675 3.087 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000008813578 553151194 /nfs/dbraw/zinc/15/11/94/553151194.db2.gz DRFIWCFDDDIOHN-KKXNLOMOSA-N 0 0 515.632 3.378 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000008813581 553151085 /nfs/dbraw/zinc/15/10/85/553151085.db2.gz DRFIWCFDDDIOHN-QHGAOEGBSA-N 0 0 515.632 3.378 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1 ZINC000008813606 553151065 /nfs/dbraw/zinc/15/10/65/553151065.db2.gz PEIFCQUQGJIIFD-UHFFFAOYSA-N 0 0 500.665 3.372 50 0 KGAARN CCN(CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)c1cccc(C)c1 ZINC000008814041 553151309 /nfs/dbraw/zinc/15/13/09/553151309.db2.gz KMZNUBYRLLSPFI-UHFFFAOYSA-N 0 0 530.716 3.251 50 0 KGAARN O=C(CN1C(=O)S/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O)Nc1ccccc1F ZINC000008815762 553151615 /nfs/dbraw/zinc/15/16/15/553151615.db2.gz MQHNNDIAFKGAAF-LPYMAVHISA-N 0 0 522.558 3.314 50 0 KGAARN COc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c2)cc1 ZINC000008826770 553156384 /nfs/dbraw/zinc/15/63/84/553156384.db2.gz PZKIUUUZCVWOFW-UHFFFAOYSA-N 0 0 510.568 3.496 50 0 KGAARN COc1ccccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000008828703 553157175 /nfs/dbraw/zinc/15/71/75/553157175.db2.gz WNUQKYGJFCRVFN-INIZCTEOSA-N 0 0 503.602 3.246 50 0 KGAARN COc1ccccc1O[C@H](C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 ZINC000008828704 553157164 /nfs/dbraw/zinc/15/71/64/553157164.db2.gz WNUQKYGJFCRVFN-MRXNPFEDSA-N 0 0 503.602 3.246 50 0 KGAARN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CSc1ccc(Br)cc1C ZINC000008828843 553157247 /nfs/dbraw/zinc/15/72/47/553157247.db2.gz YXRXKCBESWSZNU-UHFFFAOYSA-N 0 0 557.488 3.361 50 0 KGAARN CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CCc1ccccc1 ZINC000008829627 553157691 /nfs/dbraw/zinc/15/76/91/553157691.db2.gz DTAHJXUCIFQZMS-UHFFFAOYSA-N 0 0 501.678 3.447 50 0 KGAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)c1C ZINC000008830343 553157964 /nfs/dbraw/zinc/15/79/64/553157964.db2.gz RCNCYXSNBIHEOC-UHFFFAOYSA-N 0 0 547.684 3.159 50 0 KGAARN Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn32)cc1 ZINC000008830372 553158157 /nfs/dbraw/zinc/15/81/57/553158157.db2.gz WZLSDKXAYZKCSD-UHFFFAOYSA-N 0 0 539.668 3.294 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1/C=C/c1ccccc1 ZINC000008830461 553158194 /nfs/dbraw/zinc/15/81/94/553158194.db2.gz ASUHOHWGJZCYSJ-LIVWCMTASA-N 0 0 520.607 3.489 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1/C=C/c1ccccc1 ZINC000008830462 553158217 /nfs/dbraw/zinc/15/82/17/553158217.db2.gz ASUHOHWGJZCYSJ-QKPSTGNCSA-N 0 0 520.607 3.489 50 0 KGAARN COc1ccccc1OS(=O)(=O)c1cc(S(=O)(=O)Oc2ccccc2OC)c(OC)cc1OC ZINC000008834296 553160876 /nfs/dbraw/zinc/16/08/76/553160876.db2.gz RGVJZCYXUWYCRI-UHFFFAOYSA-N 0 0 510.542 3.256 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)cc1 ZINC000008834805 553161022 /nfs/dbraw/zinc/16/10/22/553161022.db2.gz ISKOHGRYYXFEPN-XPCGLTFESA-N 0 0 506.580 3.121 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC(C)=O)c4)c(=O)n32)cc1 ZINC000008834806 553161100 /nfs/dbraw/zinc/16/11/00/553161100.db2.gz ISKOHGRYYXFEPN-MGSPXPDISA-N 0 0 506.580 3.121 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)cc1 ZINC000008834807 553161121 /nfs/dbraw/zinc/16/11/21/553161121.db2.gz VGVPEYUTLHGMPT-XPCGLTFESA-N 0 0 506.580 3.121 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC(C)=O)cc4)c(=O)n32)cc1 ZINC000008834808 553161045 /nfs/dbraw/zinc/16/10/45/553161045.db2.gz VGVPEYUTLHGMPT-MGSPXPDISA-N 0 0 506.580 3.121 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000008834809 553161084 /nfs/dbraw/zinc/16/10/84/553161084.db2.gz UYHQXLLXHWTFIN-XPCGLTFESA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1 ZINC000008834810 553161289 /nfs/dbraw/zinc/16/12/89/553161289.db2.gz UYHQXLLXHWTFIN-MGSPXPDISA-N 0 0 508.596 3.213 50 0 KGAARN CCCCn1c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000008846396 553166225 /nfs/dbraw/zinc/16/62/25/553166225.db2.gz FVMZKTWAWBQYBD-UHFFFAOYSA-N 0 0 501.943 3.133 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008855074 553167042 /nfs/dbraw/zinc/16/70/42/553167042.db2.gz HMEVQGOVSJJWNC-QDNAUZDWSA-N 0 0 511.559 3.059 50 0 KGAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)co2)n1 ZINC000008860140 553169917 /nfs/dbraw/zinc/16/99/17/553169917.db2.gz XZGWRSCGNNAMQH-UHFFFAOYSA-N 0 0 501.586 3.343 50 0 KGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000008860143 553169901 /nfs/dbraw/zinc/16/99/01/553169901.db2.gz XCBAUKYFUXGELV-UHFFFAOYSA-N 0 0 565.648 3.160 50 0 KGAARN COCCNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)n1 ZINC000008860346 553170131 /nfs/dbraw/zinc/17/01/31/553170131.db2.gz QMENAJHVSSDZED-UHFFFAOYSA-N 0 0 500.577 3.095 50 0 KGAARN CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)n1 ZINC000008868287 553170794 /nfs/dbraw/zinc/17/07/94/553170794.db2.gz IMWUMOJWRGHUJU-GHMZBOCLSA-N 0 0 515.082 3.207 50 0 KGAARN CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)n1 ZINC000008868290 553170846 /nfs/dbraw/zinc/17/08/46/553170846.db2.gz IMWUMOJWRGHUJU-WDEREUQCSA-N 0 0 515.082 3.207 50 0 KGAARN CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)n1 ZINC000008868293 553170766 /nfs/dbraw/zinc/17/07/66/553170766.db2.gz IMWUMOJWRGHUJU-MNOVXSKESA-N 0 0 515.082 3.207 50 0 KGAARN CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)n1 ZINC000008868295 553170817 /nfs/dbraw/zinc/17/08/17/553170817.db2.gz IMWUMOJWRGHUJU-QWRGUYRKSA-N 0 0 515.082 3.207 50 0 KGAARN COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccccc2)cc1 ZINC000008868963 553171041 /nfs/dbraw/zinc/17/10/41/553171041.db2.gz STIJQUNBRSSYAI-JOCHJYFZSA-N 0 0 516.579 3.145 50 0 KGAARN COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(Cc3ccccc3)C(=S)N2NC(=O)c2ccccc2)cc1 ZINC000008868964 553170999 /nfs/dbraw/zinc/17/09/99/553170999.db2.gz STIJQUNBRSSYAI-QFIPXVFZSA-N 0 0 516.579 3.145 50 0 KGAARN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(OC)c3)N(NC(=O)c3ccccc3)C2=S)cc1 ZINC000008869677 553171241 /nfs/dbraw/zinc/17/12/41/553171241.db2.gz JYIPJKMTUYDUKQ-QFIPXVFZSA-N 0 0 504.568 3.380 50 0 KGAARN CCn1cc(C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)c(=O)c2cc3c(cc21)OCO3 ZINC000008877898 553175553 /nfs/dbraw/zinc/17/55/53/553175553.db2.gz MJPSZPAYNTUNOY-VWLOTQADSA-N 0 0 502.571 3.345 50 0 biogenic KGAARN CCn1cc(C(=O)N[C@@H](C)C(=O)N(C)CCc2c[nH]c3cc(OC)ccc23)c(=O)c2cc3c(cc21)OCO3 ZINC000008878921 553175868 /nfs/dbraw/zinc/17/58/68/553175868.db2.gz VCHLHQYDNRTDAP-INIZCTEOSA-N 0 0 518.570 3.059 50 0 biogenic KGAARN COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc(OC(C)=O)c(OC(C)=O)c4oc3=O)c2c1 ZINC000008879623 553175960 /nfs/dbraw/zinc/17/59/60/553175960.db2.gz FVQRKANOYSQKLF-UHFFFAOYSA-N 0 0 506.511 3.343 50 0 biogenic KGAARN CC(=O)c1ccc2c(c1)OCCOCCOCCOc1ccc(C(C)=O)cc1OCCOCCOCCO2 ZINC000008892743 553176729 /nfs/dbraw/zinc/17/67/29/553176729.db2.gz PXLCVHQNQODOPE-UHFFFAOYSA-N 0 0 532.586 3.387 50 0 KGAARN COc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 ZINC000008893997 553177153 /nfs/dbraw/zinc/17/71/53/553177153.db2.gz DVCMQLQKFZCXJV-OAQYLSRUSA-N 0 0 500.646 3.115 50 0 KGAARN COc1ccc2nc(N3CCN(C(=O)[C@@H]4CCCN4S(=O)(=O)c4ccc(C)cc4)CC3)sc2c1 ZINC000008894019 553177151 /nfs/dbraw/zinc/17/71/51/553177151.db2.gz DVCMQLQKFZCXJV-NRFANRHFSA-N 0 0 500.646 3.115 50 0 KGAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 ZINC000008904257 553183449 /nfs/dbraw/zinc/18/34/49/553183449.db2.gz MGCWSBPDMXDYNZ-OAHLLOKOSA-N 0 0 510.601 3.219 50 0 KGAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)s2)cc1 ZINC000008904260 553183417 /nfs/dbraw/zinc/18/34/17/553183417.db2.gz MGCWSBPDMXDYNZ-HNNXBMFYSA-N 0 0 510.601 3.219 50 0 KGAARN CCc1ccc(CN2C(=O)CN(S(=O)(=O)c3ccc(OC)cc3)C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000008911642 553184077 /nfs/dbraw/zinc/18/40/77/553184077.db2.gz XJHCVZZCIRIPNL-NDEPHWFRSA-N 0 0 527.687 3.498 50 0 KGAARN CCc1ccc(CN2C(=O)CN(S(=O)(=O)c3ccc(OC)cc3)C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000008911643 553184071 /nfs/dbraw/zinc/18/40/71/553184071.db2.gz XJHCVZZCIRIPNL-MUUNZHRXSA-N 0 0 527.687 3.498 50 0 KGAARN CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)[C@@H](c2ccccc2)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000008914077 553185771 /nfs/dbraw/zinc/18/57/71/553185771.db2.gz WIHTVHXADSLDPA-XMMPIXPASA-N 0 0 504.550 3.461 50 0 KGAARN CC(=O)N1N=C(c2ccc(-c3ccccc3)cc2)[C@H](c2ccccc2)n2c1nc1c2c(=O)n(C)c(=O)n1C ZINC000008914078 553185778 /nfs/dbraw/zinc/18/57/78/553185778.db2.gz WIHTVHXADSLDPA-DEOSSOPVSA-N 0 0 504.550 3.461 50 0 KGAARN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000008917845 553187270 /nfs/dbraw/zinc/18/72/70/553187270.db2.gz MDTPKYKICLONLN-UWJYYQICSA-N 0 0 506.619 3.447 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(C)cc2)CC1 ZINC000008917963 553187356 /nfs/dbraw/zinc/18/73/56/553187356.db2.gz GVQUBSXHLDSMOK-RXVVDRJESA-N 0 0 520.696 3.323 50 0 biogenic KGAARN Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000008918250 553187786 /nfs/dbraw/zinc/18/77/86/553187786.db2.gz IBWNNXVKFROASK-CHJDUVSTSA-N 0 0 518.610 3.341 50 0 biogenic KGAARN CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCC2)CC1 ZINC000008918399 553188310 /nfs/dbraw/zinc/18/83/10/553188310.db2.gz LJMIGLLGYMRVAO-DEOSSOPVSA-N 0 0 539.677 3.017 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000008918437 553188303 /nfs/dbraw/zinc/18/83/03/553188303.db2.gz RJIKSAWBNAUULT-IPJJNNNSSA-N 0 0 534.723 3.254 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000008918438 553188294 /nfs/dbraw/zinc/18/82/94/553188294.db2.gz RJIKSAWBNAUULT-DXIQSLLYSA-N 0 0 534.723 3.254 50 0 biogenic KGAARN CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2)cc1 ZINC000008918501 553188580 /nfs/dbraw/zinc/18/85/80/553188580.db2.gz UTEQQEITINVAPB-AVRDEDQJSA-N 0 0 502.656 3.480 50 0 biogenic KGAARN COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008918821 553188772 /nfs/dbraw/zinc/18/87/72/553188772.db2.gz IDMVMSOZJXZPAU-UHFFFAOYSA-N 0 0 502.564 3.406 50 0 KGAARN CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)NC)C1 ZINC000008920402 553189292 /nfs/dbraw/zinc/18/92/92/553189292.db2.gz JIWSMFAXFVDYLB-UHFFFAOYSA-N 0 0 504.678 3.303 50 0 KGAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CN(C(C)C)CC2 ZINC000008920826 553189471 /nfs/dbraw/zinc/18/94/71/553189471.db2.gz DQDUSVROBKIAKS-UHFFFAOYSA-N 0 0 504.678 3.301 50 0 KGAARN CCOC(=O)CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 ZINC000008926163 553191068 /nfs/dbraw/zinc/19/10/68/553191068.db2.gz JQSBUFAJOIGBKK-UKTHLTGXSA-N 0 0 500.143 3.255 50 0 KGAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)cc1 ZINC000008927400 553191800 /nfs/dbraw/zinc/19/18/00/553191800.db2.gz RQADWJYXNKCJQL-JOCHJYFZSA-N 0 0 500.507 3.134 50 0 KGAARN Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4)C3)cc2)cc1 ZINC000008927402 553191821 /nfs/dbraw/zinc/19/18/21/553191821.db2.gz RQADWJYXNKCJQL-QFIPXVFZSA-N 0 0 500.507 3.134 50 0 KGAARN CCc1ccc(N2C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]3CC(=O)N(c4ccc(CC)cc4)C3)CC2=O)cc1 ZINC000008931799 553192623 /nfs/dbraw/zinc/19/26/23/553192623.db2.gz KZLJPIRBMRMRKR-DNQXCXABSA-N 0 0 532.685 3.476 50 0 KGAARN CC(=O)OCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1 ZINC000008934238 553192689 /nfs/dbraw/zinc/19/26/89/553192689.db2.gz UETCIBGEHNPVLF-GXDHUFHOSA-N 0 0 500.143 3.255 50 0 KGAARN CCOC(=O)CNC(=O)/C(=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)NC(=O)c1ccccc1 ZINC000008934349 553192592 /nfs/dbraw/zinc/19/25/92/553192592.db2.gz GWGJDMLAFUBHGB-JJIBRWJFSA-N 0 0 522.579 3.213 50 0 KGAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000008952718 553194303 /nfs/dbraw/zinc/19/43/03/553194303.db2.gz RMLQDOVGEFRCIP-IPJJNNNSSA-N 0 0 502.656 3.156 50 0 biogenic KGAARN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000008952719 553194352 /nfs/dbraw/zinc/19/43/52/553194352.db2.gz RMLQDOVGEFRCIP-DXIQSLLYSA-N 0 0 502.656 3.156 50 0 biogenic KGAARN O=C1[C@@H]2CC=C(Cl)C[C@@H]2C(=O)N1CN(Cc1ccccc1)CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000008955313 553194445 /nfs/dbraw/zinc/19/44/45/553194445.db2.gz LUCZBTVPCUMDBT-WOZUAGRISA-N 0 0 502.398 3.439 50 0 KGAARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000008964498 553194475 /nfs/dbraw/zinc/19/44/75/553194475.db2.gz YNIFGNHTUBRHLX-QWTBPSOFSA-N 0 0 507.580 3.267 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000008964499 553194505 /nfs/dbraw/zinc/19/45/05/553194505.db2.gz YNIFGNHTUBRHLX-PCVBXPLGSA-N 0 0 507.580 3.267 50 0 biogenic KGAARN C[C@]12C[C@@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)N1CCOCC1 ZINC000008964555 553194751 /nfs/dbraw/zinc/19/47/51/553194751.db2.gz GMQFYOHBEHRUEM-HZUWDXEBSA-N 0 0 507.718 3.140 50 0 biogenic KGAARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)N1CCOCC1 ZINC000008964556 553194752 /nfs/dbraw/zinc/19/47/52/553194752.db2.gz GMQFYOHBEHRUEM-GYWWUCTRSA-N 0 0 507.718 3.140 50 0 biogenic KGAARN CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(I)c2)CC1 ZINC000008983687 553196282 /nfs/dbraw/zinc/19/62/82/553196282.db2.gz CUJDAXVGIXIEOU-UHFFFAOYSA-N 0 0 507.328 3.458 50 0 KGAARN CC(=O)Oc1cc(OC(C)=O)c2c(C)c(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)oc2c1 ZINC000008991880 553197034 /nfs/dbraw/zinc/19/70/34/553197034.db2.gz KGTYJGXUXCTVRW-UHFFFAOYSA-N 0 0 512.946 3.497 50 0 KGAARN CCc1nnc(NC(=O)c2cn(CC)c3cc(N4CCN(C(=O)c5ccco5)CC4)c(F)cc3c2=O)s1 ZINC000008995057 553197068 /nfs/dbraw/zinc/19/70/68/553197068.db2.gz FLEXEDSLNDUWJX-UHFFFAOYSA-N 0 0 524.578 3.382 50 0 KGAARN CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009003900 553197927 /nfs/dbraw/zinc/19/79/27/553197927.db2.gz YNRODJYUGQJXAO-MOPGFXCFSA-N 0 0 505.021 3.022 50 0 KGAARN CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009003901 553197865 /nfs/dbraw/zinc/19/78/65/553197865.db2.gz YNRODJYUGQJXAO-OALUTQOASA-N 0 0 505.021 3.022 50 0 KGAARN 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CCc1c(C)sc2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n(-c3ccc(O)cc3C)c(=O)c12 ZINC000009003942 553197912 /nfs/dbraw/zinc/19/79/12/553197912.db2.gz NJZWGAULRSDCIH-HNNXBMFYSA-N 0 0 521.686 3.070 50 0 KGAARN Cc1sc2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n(-c3cc(C)ccc3C)c(=O)c2c1C ZINC000009003950 553198072 /nfs/dbraw/zinc/19/80/72/553198072.db2.gz BTTONUBAFSPTTJ-KRWDZBQOSA-N 0 0 505.687 3.418 50 0 KGAARN CCc1sc2nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000009003951 553198061 /nfs/dbraw/zinc/19/80/61/553198061.db2.gz FFTCIFGBACZKHE-KRWDZBQOSA-N 0 0 505.687 3.081 50 0 KGAARN CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000009003953 553198119 /nfs/dbraw/zinc/19/81/19/553198119.db2.gz VKHZEFXQLGQLBI-SFHVURJKSA-N 0 0 505.687 3.251 50 0 KGAARN COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000009008626 553199068 /nfs/dbraw/zinc/19/90/68/553199068.db2.gz JLORHVZDKQOHHA-YJADQXIJSA-N 0 0 518.522 3.360 50 0 KGAARN 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/nfs/dbraw/zinc/27/73/35/553277335.db2.gz BUGJIPAHAMQEKR-FQEVSTJZSA-N 0 0 506.603 3.083 50 0 KGAARN COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(c3cccc(C)c3)[C@H](C)C1)c2=O ZINC000009529816 553277357 /nfs/dbraw/zinc/27/73/57/553277357.db2.gz BUGJIPAHAMQEKR-HXUWFJFHSA-N 0 0 506.603 3.083 50 0 KGAARN CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N(C)CCc4ccccn4)CC3)c(=O)c2cc1OCC ZINC000009529837 553277339 /nfs/dbraw/zinc/27/73/39/553277339.db2.gz BKULPPCQOBYYRP-UHFFFAOYSA-N 0 0 508.619 3.390 50 0 KGAARN CCN(CCCNC(=O)Cc1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)c1cccc(C)c1 ZINC000009529934 553277300 /nfs/dbraw/zinc/27/73/00/553277300.db2.gz YJLVUJBJORFZRS-PKTZIBPZSA-N 0 0 500.690 3.251 50 0 KGAARN CCN(CCCNC(=O)Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)c1cccc(C)c1 ZINC000009529935 553277315 /nfs/dbraw/zinc/27/73/15/553277315.db2.gz YJLVUJBJORFZRS-GOTSBHOMSA-N 0 0 500.690 3.251 50 0 KGAARN CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000009530092 553277514 /nfs/dbraw/zinc/27/75/14/553277514.db2.gz JOZIDBBUTPYTAG-ICSRJNTNSA-N 0 0 510.037 3.461 50 0 KGAARN CCOc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000009530093 553277465 /nfs/dbraw/zinc/27/74/65/553277465.db2.gz JOZIDBBUTPYTAG-AZUAARDMSA-N 0 0 510.037 3.461 50 0 KGAARN CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OCC ZINC000009530142 553277806 /nfs/dbraw/zinc/27/78/06/553277806.db2.gz XPEFBGXUOCETDJ-OFNKIYASSA-N 0 0 517.673 3.445 50 0 KGAARN CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OCC ZINC000009530143 553277709 /nfs/dbraw/zinc/27/77/09/553277709.db2.gz XPEFBGXUOCETDJ-REWPJTCUSA-N 0 0 517.673 3.445 50 0 KGAARN CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OCC ZINC000009530144 553277784 /nfs/dbraw/zinc/27/77/84/553277784.db2.gz XPEFBGXUOCETDJ-NFBKMPQASA-N 0 0 517.673 3.445 50 0 KGAARN CCOc1ccc(CCNC(=O)c2ccc(C)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OCC ZINC000009530145 553277698 /nfs/dbraw/zinc/27/76/98/553277698.db2.gz XPEFBGXUOCETDJ-NZQKXSOJSA-N 0 0 517.673 3.445 50 0 KGAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000009546126 553278155 /nfs/dbraw/zinc/27/81/55/553278155.db2.gz YWPNLQVHWAYSNP-QHCPKHFHSA-N 0 0 518.364 3.020 50 0 KGAARN COc1cccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1 ZINC000009546127 553278150 /nfs/dbraw/zinc/27/81/50/553278150.db2.gz YWPNLQVHWAYSNP-HSZRJFAPSA-N 0 0 518.364 3.020 50 0 KGAARN CCOC(=O)N1CCN(C(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000009553461 553278500 /nfs/dbraw/zinc/27/85/00/553278500.db2.gz GJZNOYHEOZGVEZ-UHFFFAOYSA-N 0 0 524.437 3.254 50 0 KGAARN C[C@H](CNC(=O)COc1ccc(Br)cc1)NC(=O)COc1ccc(Br)cc1 ZINC000009553690 553278479 /nfs/dbraw/zinc/27/84/79/553278479.db2.gz FFKBUJGQELOXQS-CYBMUJFWSA-N 0 0 500.187 3.290 50 0 KGAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)c3ccccc3C(=O)N1CC2 ZINC000009559197 553279388 /nfs/dbraw/zinc/27/93/88/553279388.db2.gz 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CCOC(=O)c1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)cc1 ZINC000009578354 553281684 /nfs/dbraw/zinc/28/16/84/553281684.db2.gz IIGMVTMYCIFUAU-UHFFFAOYSA-N 0 0 504.572 3.004 50 0 KGAARN COc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)c(OC)c1 ZINC000009578460 553281819 /nfs/dbraw/zinc/28/18/19/553281819.db2.gz GJOOXNOOQGQMMM-UHFFFAOYSA-N 0 0 506.588 3.153 50 0 KGAARN COc1ccc(OC)c(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)c1 ZINC000009578463 553281816 /nfs/dbraw/zinc/28/18/16/553281816.db2.gz JYPOQHITJJVVSG-UHFFFAOYSA-N 0 0 506.588 3.153 50 0 KGAARN CCOC(=O)c1ccccc1NC(=O)CSc1ccc2nnc(CCNC(=O)c3ccc(C)cc3)n2n1 ZINC000009578487 553281812 /nfs/dbraw/zinc/28/18/12/553281812.db2.gz LNIRIAMPONWZDM-UHFFFAOYSA-N 0 0 518.599 3.313 50 0 KGAARN CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(C)cc4)n3n2)cc1 ZINC000009578495 553281860 /nfs/dbraw/zinc/28/18/60/553281860.db2.gz PTOXLQMBGOCFTC-UHFFFAOYSA-N 0 0 503.588 3.094 50 0 KGAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)N4CCCc5ccccc54)nn32)cc1 ZINC000009578560 553281854 /nfs/dbraw/zinc/28/18/54/553281854.db2.gz YEIUTXNOOGEVCX-UHFFFAOYSA-N 0 0 502.600 3.177 50 0 KGAARN CCOc1ccccc1NC(=O)CSc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 ZINC000009578603 553281851 /nfs/dbraw/zinc/28/18/51/553281851.db2.gz JZXZOHSVVQIMMH-UHFFFAOYSA-N 0 0 506.588 3.235 50 0 KGAARN CCOc1ccc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccc(OC)cc4)n3n2)cc1 ZINC000009578605 553281888 /nfs/dbraw/zinc/28/18/88/553281888.db2.gz MMMAVBKTPJVPHN-UHFFFAOYSA-N 0 0 506.588 3.235 50 0 KGAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc(C(C)=O)cc4)nn32)cc1 ZINC000009578614 553281884 /nfs/dbraw/zinc/28/18/84/553281884.db2.gz GSFULJRFCVBHDA-UHFFFAOYSA-N 0 0 504.572 3.039 50 0 KGAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)NCc4ccccc4Cl)nn32)cc1 ZINC000009578626 553281824 /nfs/dbraw/zinc/28/18/24/553281824.db2.gz QPCLLHPKPDZJML-UHFFFAOYSA-N 0 0 511.007 3.167 50 0 KGAARN COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4nc5ccccc5s4)nn32)cc1 ZINC000009578629 553281797 /nfs/dbraw/zinc/28/17/97/553281797.db2.gz JYFYJVKMXDRMLR-UHFFFAOYSA-N 0 0 519.612 3.446 50 0 KGAARN COc1cccc([C@@H]2OC(c3cc(I)ccc3OC(C)=O)=NN2C(C)=O)c1OC ZINC000009586193 553282633 /nfs/dbraw/zinc/28/26/33/553282633.db2.gz SEZLHVWQKUKNPH-FQEVSTJZSA-N 0 0 510.284 3.473 50 0 KGAARN COc1cccc([C@H]2OC(c3cc(I)ccc3OC(C)=O)=NN2C(C)=O)c1OC ZINC000009586197 553282653 /nfs/dbraw/zinc/28/26/53/553282653.db2.gz SEZLHVWQKUKNPH-HXUWFJFHSA-N 0 0 510.284 3.473 50 0 KGAARN CC(=O)Oc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(I)c3)O2)c1OC(C)=O ZINC000009587099 553282788 /nfs/dbraw/zinc/28/27/88/553282788.db2.gz MSSOYOFCXCCCGN-FQEVSTJZSA-N 0 0 508.268 3.381 50 0 KGAARN CC(=O)Oc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(I)c3)O2)c1OC(C)=O ZINC000009587103 553282776 /nfs/dbraw/zinc/28/27/76/553282776.db2.gz MSSOYOFCXCCCGN-HXUWFJFHSA-N 0 0 508.268 3.381 50 0 KGAARN COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c1 ZINC000009587271 553282829 /nfs/dbraw/zinc/28/28/29/553282829.db2.gz QWJUOXKRJUDNLI-NRFANRHFSA-N 0 0 504.337 3.303 50 0 KGAARN COc1ccc(OC(C)=O)c(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c1 ZINC000009587273 553282799 /nfs/dbraw/zinc/28/27/99/553282799.db2.gz QWJUOXKRJUDNLI-OAQYLSRUSA-N 0 0 504.337 3.303 50 0 KGAARN CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)c(=O)c2cc1OCC ZINC000009589891 553282762 /nfs/dbraw/zinc/28/27/62/553282762.db2.gz AMIWQKUPYTUFKR-UHFFFAOYSA-N 0 0 535.645 3.037 50 0 KGAARN COc1ccc(CCNC(=O)c2ccc(Cl)c(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)c2)cc1OC ZINC000009591448 553283197 /nfs/dbraw/zinc/28/31/97/553283197.db2.gz HBJCMRRJSNHUOJ-PXNSSMCTSA-N 0 0 510.037 3.010 50 0 KGAARN COc1ccc(CCNC(=O)c2ccc(Cl)c(NC3=N[C@H]4CS(=O)(=O)C[C@H]4S3)c2)cc1OC ZINC000009591451 553283276 /nfs/dbraw/zinc/28/32/76/553283276.db2.gz HBJCMRRJSNHUOJ-FXAWDEMLSA-N 0 0 510.037 3.010 50 0 KGAARN COc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1OC ZINC000009597559 553283985 /nfs/dbraw/zinc/28/39/85/553283985.db2.gz KCIMWIWIUKTNNR-UHFFFAOYSA-N 0 0 506.603 3.475 50 0 KGAARN 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COc1ccc(-c2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758144 553341835 /nfs/dbraw/zinc/34/18/35/553341835.db2.gz MIEYDNCJLGRJLQ-UHFFFAOYSA-N 0 0 531.516 3.452 50 0 KGAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758145 553341846 /nfs/dbraw/zinc/34/18/46/553341846.db2.gz TWYYYSJBQHZXOU-UHFFFAOYSA-N 0 0 531.516 3.452 50 0 KGAARN COc1ccc(-c2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000011758147 553341853 /nfs/dbraw/zinc/34/18/53/553341853.db2.gz LVUHNDFEEDYFCC-UHFFFAOYSA-N 0 0 547.515 3.332 50 0 KGAARN Cn1c(=O)c2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758175 553341816 /nfs/dbraw/zinc/34/18/16/553341816.db2.gz YPSPZGKRMLHIPT-UHFFFAOYSA-N 0 0 533.629 3.407 50 0 KGAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc(Br)cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758187 553341820 /nfs/dbraw/zinc/34/18/20/553341820.db2.gz SENURVPEABQZSA-UHFFFAOYSA-N 0 0 530.379 3.327 50 0 KGAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000011758191 553341838 /nfs/dbraw/zinc/34/18/38/553341838.db2.gz ALXKRKCKEZPQDS-UHFFFAOYSA-N 0 0 515.954 3.226 50 0 KGAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011758199 553342094 /nfs/dbraw/zinc/34/20/94/553342094.db2.gz JZOSEBYCHZQBLM-UHFFFAOYSA-N 0 0 535.479 3.463 50 0 KGAARN Cc1ccc2nc(NC(=O)CSc3nc(-c4ccc(F)cc4)nc4c3c(=O)n(C)c(=O)n4C)sc2c1 ZINC000011758202 553342082 /nfs/dbraw/zinc/34/20/82/553342082.db2.gz XORZWTPZAJHKKQ-UHFFFAOYSA-N 0 0 522.587 3.482 50 0 KGAARN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C ZINC000011758310 553342105 /nfs/dbraw/zinc/34/21/05/553342105.db2.gz LUUKVRTXFCFOQG-UHFFFAOYSA-N 0 0 503.993 3.149 50 0 KGAARN Cn1c(=O)c2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc(-c3cccs3)nc2n(C)c1=O ZINC000011758314 553342228 /nfs/dbraw/zinc/34/22/28/553342228.db2.gz GUCISCXDJDOYAQ-UHFFFAOYSA-N 0 0 523.518 3.385 50 0 KGAARN Cc1ccc2nc(NC(=O)CSc3nc(-c4cccs4)nc4c3c(=O)n(C)c(=O)n4C)sc2c1 ZINC000011758318 553342233 /nfs/dbraw/zinc/34/22/33/553342233.db2.gz JSJUETQPZNMRBE-UHFFFAOYSA-N 0 0 510.626 3.405 50 0 KGAARN CCOC(=O)N1CCN(C(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2CCc2ccccc2)CC1 ZINC000011758357 553342170 /nfs/dbraw/zinc/34/21/70/553342170.db2.gz IVJWVTDRKAOONU-UHFFFAOYSA-N 0 0 566.709 3.338 50 0 KGAARN CCOC(=O)CNC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(C(F)(F)F)c1 ZINC000011758381 553342182 /nfs/dbraw/zinc/34/21/82/553342182.db2.gz TYLXUBYDJLUBNE-UHFFFAOYSA-N 0 0 551.572 3.482 50 0 KGAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(F)c(F)c3)C2)c1C(=O)OC ZINC000011783331 553342408 /nfs/dbraw/zinc/34/24/08/553342408.db2.gz YOIAHWDAVYFXEB-JXFKEZNVSA-N 0 0 545.568 3.306 50 0 KGAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(Cc3ccc(C(C)C)cc3)C2)nn1 ZINC000011785458 553342690 /nfs/dbraw/zinc/34/26/90/553342690.db2.gz ONNIWAMBXDHYRV-VPUSJEBWSA-N 0 0 516.646 3.353 50 0 KGAARN O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)CC2)CC1 ZINC000011786236 553342791 /nfs/dbraw/zinc/34/27/91/553342791.db2.gz PTLXOCVYHKCLLQ-UHFFFAOYSA-N 0 0 544.583 3.416 50 0 KGAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(CCCc3ccccc3)C2)c1C(=O)OC ZINC000011787805 553342793 /nfs/dbraw/zinc/34/27/93/553342793.db2.gz IFIVJOGZKDAQTA-UNMCSNQZSA-N 0 0 537.642 3.460 50 0 KGAARN COc1ccc(CCN(C)C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1OC ZINC000011791104 553343282 /nfs/dbraw/zinc/34/32/82/553343282.db2.gz NSYDYSJMBSGDCE-YADHBBJMSA-N 0 0 535.641 3.396 50 0 KGAARN COc1ccc(CCN(C)C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)C2)cc1OC ZINC000011791105 553343347 /nfs/dbraw/zinc/34/33/47/553343347.db2.gz NSYDYSJMBSGDCE-VXKWHMMOSA-N 0 0 535.641 3.396 50 0 KGAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(NC(C)=O)cc3)C2)nn1 ZINC000011814066 553343455 /nfs/dbraw/zinc/34/34/55/553343455.db2.gz DWMYQNKCCLJXRP-REWPJTCUSA-N 0 0 508.604 3.199 50 0 KGAARN CSc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CCC[C@@H](C(N)=O)C5)CC4)c3C2=O)cc1 ZINC000011841314 553343793 /nfs/dbraw/zinc/34/37/93/553343793.db2.gz HTBXIVWAZPVJIL-GOSISDBHSA-N 0 0 506.628 3.149 50 0 KGAARN CSc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CCC[C@H](C(N)=O)C5)CC4)c3C2=O)cc1 ZINC000011841316 553343719 /nfs/dbraw/zinc/34/37/19/553343719.db2.gz HTBXIVWAZPVJIL-SFHVURJKSA-N 0 0 506.628 3.149 50 0 KGAARN COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)c2C1=O ZINC000011841585 553343768 /nfs/dbraw/zinc/34/37/68/553343768.db2.gz MMWOHURZVCJYKH-UHFFFAOYSA-N 0 0 504.631 3.111 50 0 KGAARN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 ZINC000011852158 553344158 /nfs/dbraw/zinc/34/41/58/553344158.db2.gz HRVBOAGGMKYEOL-UHFFFAOYSA-N 0 0 535.644 3.363 50 0 KGAARN COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc(OC)c1OC ZINC000011852254 553344422 /nfs/dbraw/zinc/34/44/22/553344422.db2.gz GGCAYDTZTQBEMJ-UHFFFAOYSA-N 0 0 540.627 3.410 50 0 KGAARN COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)cc1 ZINC000011852279 553344681 /nfs/dbraw/zinc/34/46/81/553344681.db2.gz NTTMYBHWTOYPTJ-UHFFFAOYSA-N 0 0 580.692 3.187 50 0 KGAARN CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2-c2ccccc2)s1 ZINC000011852281 553344673 /nfs/dbraw/zinc/34/46/73/553344673.db2.gz CJNBYPGEQUKPDW-UHFFFAOYSA-N 0 0 618.792 3.142 50 0 KGAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3)cs2)cc1 ZINC000011852367 553344812 /nfs/dbraw/zinc/34/48/12/553344812.db2.gz QBZNKCZYQWDLDX-UHFFFAOYSA-N 0 0 620.760 3.272 50 0 KGAARN COc1ccc(OC)c(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)c1 ZINC000011852480 553345122 /nfs/dbraw/zinc/34/51/22/553345122.db2.gz RUXPKSXJANBDPO-UHFFFAOYSA-N 0 0 540.627 3.167 50 0 KGAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1OC ZINC000011852721 553345565 /nfs/dbraw/zinc/34/55/65/553345565.db2.gz YTCXQZSSWJIECX-UHFFFAOYSA-N 0 0 506.631 3.204 50 0 KGAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)CC1 ZINC000011852930 553346082 /nfs/dbraw/zinc/34/60/82/553346082.db2.gz GTHZWGITNDWQKJ-UHFFFAOYSA-N 0 0 504.590 3.020 50 0 KGAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(cccc4OC)s3)cc2)CC1 ZINC000011852931 553346052 /nfs/dbraw/zinc/34/60/52/553346052.db2.gz CLDKQWJBGCJTSE-UHFFFAOYSA-N 0 0 504.590 3.020 50 0 KGAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(OCC)cc4s3)cc2)CC1 ZINC000011852932 553346077 /nfs/dbraw/zinc/34/60/77/553346077.db2.gz CIXUUKOHSLFTAR-UHFFFAOYSA-N 0 0 518.617 3.410 50 0 KGAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC(=S)N=c3sc4cc(Br)ccc4n3C)cc2)CC1 ZINC000011852943 553346060 /nfs/dbraw/zinc/34/60/60/553346060.db2.gz HJYSZBFJTKPJFG-ROMGYVFFSA-N 0 0 626.580 3.081 50 0 KGAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc1)CCC2 ZINC000011852966 553346245 /nfs/dbraw/zinc/34/62/45/553346245.db2.gz RSOUASQFOYAMNJ-UHFFFAOYSA-N 0 0 535.644 3.129 50 0 KGAARN CCOC(=O)c1c(C)c(OC(=O)CC)sc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1 ZINC000011852971 553346202 /nfs/dbraw/zinc/34/62/02/553346202.db2.gz FLMLYIMRRYUXLX-UHFFFAOYSA-N 0 0 581.669 3.264 50 0 KGAARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3c4ccccc4sc3C(=O)OC)cc2)CC1 ZINC000011852983 553346380 /nfs/dbraw/zinc/34/63/80/553346380.db2.gz UXEGKGYHZOBAAG-UHFFFAOYSA-N 0 0 531.612 3.403 50 0 KGAARN COc1ccc(Br)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000011853145 553346393 /nfs/dbraw/zinc/34/63/93/553346393.db2.gz NVRNJQDBJWPESF-ZDUSSCGKSA-N 0 0 598.335 3.313 50 0 KGAARN CCc1cc(=O)oc2c(C)c(OCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)ccc12 ZINC000011866531 553347006 /nfs/dbraw/zinc/34/70/06/553347006.db2.gz RFFSGZWUQPBRGH-UHFFFAOYSA-N 0 0 500.573 3.011 50 0 KGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1 ZINC000011866770 553346987 /nfs/dbraw/zinc/34/69/87/553346987.db2.gz FZLXLWIRTOJRIW-UHFFFAOYSA-N 0 0 554.596 3.468 50 0 KGAARN CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000011867020 553347189 /nfs/dbraw/zinc/34/71/89/553347189.db2.gz ZYUIOQKHOLFHGB-SWGGMNADSA-N 0 0 516.660 3.180 50 0 KGAARN CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000011867021 553347175 /nfs/dbraw/zinc/34/71/75/553347175.db2.gz ZYUIOQKHOLFHGB-JTPXSGRQSA-N 0 0 516.660 3.180 50 0 KGAARN CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000011867022 553347146 /nfs/dbraw/zinc/34/71/46/553347146.db2.gz ZYUIOQKHOLFHGB-JNMBUGSCSA-N 0 0 516.660 3.180 50 0 KGAARN CSCC[C@H](NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000011867023 553347150 /nfs/dbraw/zinc/34/71/50/553347150.db2.gz ZYUIOQKHOLFHGB-FBIATWESSA-N 0 0 516.660 3.180 50 0 KGAARN Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867039 553347288 /nfs/dbraw/zinc/34/72/88/553347288.db2.gz IBWNNXVKFROASK-RCRUUEGKSA-N 0 0 518.610 3.341 50 0 biogenic KGAARN Cc1c2ccc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc(=O)c1Cc1ccccc1 ZINC000011867040 553347281 /nfs/dbraw/zinc/34/72/81/553347281.db2.gz IBWNNXVKFROASK-SMSORMJASA-N 0 0 518.610 3.341 50 0 biogenic KGAARN COc1ccc(OCC(=O)N2CCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)CC2)cc1 ZINC000011881601 1059558048 /nfs/dbraw/zinc/55/80/48/1059558048.db2.gz KSECKXVGFOJJEA-UHFFFAOYSA-N 0 0 503.530 3.358 50 0 KGAARN COCCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N(C)CCc4ccc(OC)c(OC)c4)C3)c2C1=O ZINC000011881949 553348564 /nfs/dbraw/zinc/34/85/64/553348564.db2.gz QIKHEMCJQRMXCA-OAQYLSRUSA-N 0 0 523.630 3.254 50 0 KGAARN COCCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N(C)CCc4ccc(OC)c(OC)c4)C3)c2C1=O ZINC000011881950 553348511 /nfs/dbraw/zinc/34/85/11/553348511.db2.gz QIKHEMCJQRMXCA-NRFANRHFSA-N 0 0 523.630 3.254 50 0 KGAARN COc1ccccc1CC(=O)N1CCN(c2cccc3c2C(=O)N(Cc2cccc(OC)c2OC)C3=O)CC1 ZINC000011964922 553349748 /nfs/dbraw/zinc/34/97/48/553349748.db2.gz GVYNWLNMBXLLES-UHFFFAOYSA-N 0 0 529.593 3.400 50 0 KGAARN COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3cccc4c3C(=O)N(C[C@@H]3CCCO3)C4=O)CC1)CC2 ZINC000011966324 553349798 /nfs/dbraw/zinc/34/97/98/553349798.db2.gz SJFCNKLHEGRQIU-QFIPXVFZSA-N 0 0 533.625 3.280 50 0 KGAARN COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3cccc4c3C(=O)N(C[C@H]3CCCO3)C4=O)CC1)CC2 ZINC000011966326 553349767 /nfs/dbraw/zinc/34/97/67/553349767.db2.gz SJFCNKLHEGRQIU-JOCHJYFZSA-N 0 0 533.625 3.280 50 0 KGAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3csc(C)n3)c(N3CCOCC3)nc2c1 ZINC000011970928 1059558071 /nfs/dbraw/zinc/55/80/71/1059558071.db2.gz YKJUHWBJRPXSGM-UHFFFAOYSA-N 0 0 523.659 3.500 50 0 KGAARN COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc(C)s3)C2)c1C(=O)OC ZINC000011975989 553349786 /nfs/dbraw/zinc/34/97/86/553349786.db2.gz SBAKIKIICOGECB-LPHOPBHVSA-N 0 0 529.644 3.397 50 0 KGAARN O=C([C@@H]1CCCO1)N(CCCN1CCCC1=O)Cc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 ZINC000011999640 1059557794 /nfs/dbraw/zinc/55/77/94/1059557794.db2.gz IRGIWCMKQWJTGQ-SANMLTNESA-N 0 0 506.647 3.080 50 0 KGAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccccc3OC)C2)nn1 ZINC000012005014 553349905 /nfs/dbraw/zinc/34/99/05/553349905.db2.gz XDVDSNFDVKZIQS-CTNGQTDRSA-N 0 0 517.508 3.224 50 0 KGAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc(OC)cc3)C2)nn1 ZINC000012005227 553349912 /nfs/dbraw/zinc/34/99/12/553349912.db2.gz LRXHICVZOFIXAP-KNQAVFIVSA-N 0 0 517.508 3.224 50 0 KGAARN C[C@@H](CNC(=O)COc1ccc(Br)cc1)NC(=O)COc1ccc(Br)cc1 ZINC000012040136 553350477 /nfs/dbraw/zinc/35/04/77/553350477.db2.gz FFKBUJGQELOXQS-ZDUSSCGKSA-N 0 0 500.187 3.290 50 0 KGAARN COC(=O)c1cn([C@@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)N(Cc3cc(C)c(OC)cc3C)C2)nn1 ZINC000012041620 1059558342 /nfs/dbraw/zinc/55/83/42/1059558342.db2.gz KLBZWAOTTZIATM-VWNXMTODSA-N 0 0 505.575 3.175 50 0 KGAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc(F)cc3)C2)nn1 ZINC000012056045 553350674 /nfs/dbraw/zinc/35/06/74/553350674.db2.gz OSLGWCNVYABQKW-FPOVZHCZSA-N 0 0 505.472 3.355 50 0 KGAARN CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)n1 ZINC000012062486 553350641 /nfs/dbraw/zinc/35/06/41/553350641.db2.gz QKMRXXIXROSHNU-UHFFFAOYSA-N 0 0 512.038 3.249 50 0 KGAARN O=C(COc1ccc(Cl)cc1)NCCn1ncc2c1ncn(Cc1ccc(Br)cc1)c2=O ZINC000012071330 553350864 /nfs/dbraw/zinc/35/08/64/553350864.db2.gz NJHHDTPUPJWACF-UHFFFAOYSA-N 0 0 516.783 3.252 50 0 KGAARN COc1cc(/C=C\C(=O)NCCn2ncc3c2ncn(Cc2cccc(Cl)c2)c3=O)cc(OC)c1OC ZINC000012071441 553350816 /nfs/dbraw/zinc/35/08/16/553350816.db2.gz BIEJHJWYSQWLKE-FPLPWBNLSA-N 0 0 523.977 3.150 50 0 KGAARN COc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)c(OC)c1C ZINC000012099233 553351154 /nfs/dbraw/zinc/35/11/54/553351154.db2.gz PNQUQZCVJVEEPH-UXHICEINSA-N 0 0 504.513 3.150 50 0 KGAARN COc1ccccc1CCN1C(=O)c2cccc(N3CCC(C(=O)N(C)Cc4nonc4C)CC3)c2C1=O ZINC000012099670 553351209 /nfs/dbraw/zinc/35/12/09/553351209.db2.gz IGYASQGQNQAOAV-UHFFFAOYSA-N 0 0 517.586 3.100 50 0 KGAARN COc1cc(CN(C(=O)Cn2ccc(C)n2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000012131919 1059558845 /nfs/dbraw/zinc/55/88/45/1059558845.db2.gz RBWFNAZHABCNEY-NRFANRHFSA-N 0 0 511.648 3.284 50 0 KGAARN CC(=O)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)CC1 ZINC000012135874 553351749 /nfs/dbraw/zinc/35/17/49/553351749.db2.gz YBYDVSBEZCIKMH-UHFFFAOYSA-N 0 0 509.006 3.043 50 0 KGAARN CC1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)CCC(=O)OCCc3ccccc3)cc2)CC1 ZINC000012137253 553351897 /nfs/dbraw/zinc/35/18/97/553351897.db2.gz FCSFOEDGVSMATJ-UHFFFAOYSA-N 0 0 517.673 3.486 50 0 KGAARN COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000012139777 553352062 /nfs/dbraw/zinc/35/20/62/553352062.db2.gz LTJXKBRUNYMYIV-IZZNHLLZSA-N 0 0 515.566 3.118 50 0 KGAARN COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000012139778 553352064 /nfs/dbraw/zinc/35/20/64/553352064.db2.gz LTJXKBRUNYMYIV-UIOOFZCWSA-N 0 0 515.566 3.118 50 0 KGAARN COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000012139779 553352078 /nfs/dbraw/zinc/35/20/78/553352078.db2.gz LTJXKBRUNYMYIV-CLJLJLNGSA-N 0 0 515.566 3.118 50 0 KGAARN COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)c3ccccc3C(=O)N1CC2 ZINC000012139780 553352080 /nfs/dbraw/zinc/35/20/80/553352080.db2.gz LTJXKBRUNYMYIV-FTJBHMTQSA-N 0 0 515.566 3.118 50 0 KGAARN COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)NC[C@H]2CCCO2)cc1OC ZINC000012139960 553352044 /nfs/dbraw/zinc/35/20/44/553352044.db2.gz OGXHGDVYDVLNBD-LJQANCHMSA-N 0 0 524.595 3.153 50 0 KGAARN CCOc1ccc(CN2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)cc1 ZINC000012150791 553352534 /nfs/dbraw/zinc/35/25/34/553352534.db2.gz VQYDGSRFDCUFSY-URXFXBBRSA-N 0 0 512.010 3.291 50 0 KGAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)N(Cc3ccc4ncccc4c3)C2)nn1 ZINC000012151683 1059558914 /nfs/dbraw/zinc/55/89/14/1059558914.db2.gz PCDJFAOZDZMYIC-DHLKQENFSA-N 0 0 519.005 3.441 50 0 KGAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(SC)cc3)C2)cc1 ZINC000012156933 553353051 /nfs/dbraw/zinc/35/30/51/553353051.db2.gz XWDJGVPMRFPTCP-YSZBQJHXSA-N 0 0 506.715 3.456 50 0 KGAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(SC)cc3)C2)cc1 ZINC000012156939 553352973 /nfs/dbraw/zinc/35/29/73/553352973.db2.gz XWDJGVPMRFPTCP-NMNUPHIUSA-N 0 0 506.715 3.456 50 0 KGAARN COc1cc(CN(C(=O)Cn2nccc2C)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000012166489 1059558883 /nfs/dbraw/zinc/55/88/83/1059558883.db2.gz VMXPRCKZUULZHY-NRFANRHFSA-N 0 0 511.648 3.284 50 0 KGAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccccc3OC)C2)nn1 ZINC000012185125 1059558796 /nfs/dbraw/zinc/55/87/96/1059558796.db2.gz XDVDSNFDVKZIQS-FPOVZHCZSA-N 0 0 517.508 3.224 50 0 KGAARN NC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)C1 ZINC000012217184 553354394 /nfs/dbraw/zinc/35/43/94/553354394.db2.gz VTTGMVGXNULTJV-LJQANCHMSA-N 0 0 509.006 3.077 50 0 KGAARN NC(=O)[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)C1 ZINC000012217185 553354384 /nfs/dbraw/zinc/35/43/84/553354384.db2.gz VTTGMVGXNULTJV-IBGZPJMESA-N 0 0 509.006 3.077 50 0 KGAARN Cc1cc(C)n(CCCNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)n1 ZINC000012217374 553354350 /nfs/dbraw/zinc/35/43/50/553354350.db2.gz ULTSUGMQKAHROI-FGZHOGPDSA-N 0 0 521.662 3.476 50 0 KGAARN Cc1cc(C)n(CCCNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N([C@@H]3CCOC(C)(C)C3)C4=O)C2)n1 ZINC000012217375 553354273 /nfs/dbraw/zinc/35/42/73/553354273.db2.gz ULTSUGMQKAHROI-FCHUYYIVSA-N 0 0 521.662 3.476 50 0 KGAARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc3c2C(=O)N(CCc2ccc(F)cc2)C3=O)CC1 ZINC000012218012 1059558779 /nfs/dbraw/zinc/55/87/79/1059558779.db2.gz BTOLTFKJRPTGIO-UHFFFAOYSA-N 0 0 501.514 3.356 50 0 KGAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(C/C=C/c3ccco3)C2)nn1 ZINC000012219223 553354538 /nfs/dbraw/zinc/35/45/38/553354538.db2.gz DVCWWCKQBMGJGP-IFHWPTJOSA-N 0 0 503.481 3.322 50 0 KGAARN CCOC(=O)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccs3)C4=O)CC2)CC1 ZINC000012243897 553354785 /nfs/dbraw/zinc/35/47/85/553354785.db2.gz ARPJCTODSDWVRO-UHFFFAOYSA-N 0 0 510.616 3.061 50 0 KGAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000012244451 553354828 /nfs/dbraw/zinc/35/48/28/553354828.db2.gz PBWGGQQYMJOWLU-PTUXOGIPSA-N 0 0 504.674 3.051 50 0 KGAARN COc1ccc(S[C@@H]2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C3)N(Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000012244452 553354827 /nfs/dbraw/zinc/35/48/27/553354827.db2.gz PBWGGQQYMJOWLU-PMOQBDJRSA-N 0 0 504.674 3.051 50 0 KGAARN COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)CN1Cc1ccc(OCc2ccccc2)cc1 ZINC000012244472 553354746 /nfs/dbraw/zinc/35/47/46/553354746.db2.gz FQLSWXDCMBPBJP-BDYUSTAISA-N 0 0 512.614 3.435 50 0 KGAARN CCOc1ccccc1CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000012245124 553355106 /nfs/dbraw/zinc/35/51/06/553355106.db2.gz WFWRZLYHDFASHY-GMAHTHKFSA-N 0 0 512.010 3.291 50 0 KGAARN O=C(C1CCN(c2cccc3c2C(=O)N(Cc2cccnc2)C3=O)CC1)N1CCN(c2ccccc2)CC1 ZINC000012246791 553355090 /nfs/dbraw/zinc/35/50/90/553355090.db2.gz WDWNQHNNTXZWEP-UHFFFAOYSA-N 0 0 509.610 3.443 50 0 KGAARN COc1cc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)ccc1OCc1ccccc1 ZINC000012281222 553356314 /nfs/dbraw/zinc/35/63/14/553356314.db2.gz HAVJFTNIYXTXTJ-FTJBHMTQSA-N 0 0 512.614 3.435 50 0 KGAARN COc1cc(CN(C(=O)c2cc(C)nn2C)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C ZINC000012281986 1059559273 /nfs/dbraw/zinc/55/92/73/1059559273.db2.gz PEUOVZSEJIVLKD-FQEVSTJZSA-N 0 0 511.648 3.435 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1 ZINC000012294065 553356981 /nfs/dbraw/zinc/35/69/81/553356981.db2.gz CQKLTZUKVLMVEH-XOYGFPHKSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OC)c(=O)n32)cc1 ZINC000012294067 553356997 /nfs/dbraw/zinc/35/69/97/553356997.db2.gz CQKLTZUKVLMVEH-YJADQXIJSA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1 ZINC000012294075 553356969 /nfs/dbraw/zinc/35/69/69/553356969.db2.gz FNQLYXVGOKZZLS-MGSPXPDISA-N 0 0 508.596 3.213 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(OC)ccc4OC)c(=O)n32)cc1 ZINC000012294076 553356967 /nfs/dbraw/zinc/35/69/67/553356967.db2.gz FNQLYXVGOKZZLS-XPCGLTFESA-N 0 0 508.596 3.213 50 0 KGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1N ZINC000012311402 553357351 /nfs/dbraw/zinc/35/73/51/553357351.db2.gz PXTWPLZHPSGIMW-UHFFFAOYSA-N 0 0 512.636 3.332 50 0 KGAARN C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012311487 553357376 /nfs/dbraw/zinc/35/73/76/553357376.db2.gz ZGPYSFHZEBPGQP-GOSISDBHSA-N 0 0 504.580 3.229 50 0 KGAARN C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012311488 553357322 /nfs/dbraw/zinc/35/73/22/553357322.db2.gz ZGPYSFHZEBPGQP-SFHVURJKSA-N 0 0 504.580 3.229 50 0 KGAARN Cc1ccc(NC=C2C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 ZINC000012311953 1060001987 /nfs/dbraw/zinc/00/19/87/1060001987.db2.gz MPMWTCFBVSSYGT-HKWRFOASSA-N 0 0 510.597 3.112 50 0 KGAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012312200 553358063 /nfs/dbraw/zinc/35/80/63/553358063.db2.gz BQIPULFYIQDESR-UHFFFAOYSA-N 0 0 508.552 3.127 50 0 KGAARN Nc1[nH]c(=S)[nH]c(=O)c1C(c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(N)[nH]c(=S)[nH]c1=O ZINC000012340712 553358751 /nfs/dbraw/zinc/35/87/51/553358751.db2.gz IEFGWMVBZCOAKE-UHFFFAOYSA-N 0 0 516.612 3.376 50 0 KGAARN COCCn1c2c(cc(F)cc2F)s/c1=N/C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012354627 553359260 /nfs/dbraw/zinc/35/92/60/553359260.db2.gz FFQHJRRRQGAHBV-BSYVCWPDSA-N 0 0 501.602 3.217 50 0 KGAARN COC(=O)Cn1c2ccc(Cl)cc2s/c1=N/C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012354631 553359211 /nfs/dbraw/zinc/35/92/11/553359211.db2.gz DCKUYNMHWXAMKZ-LSDHQDQOSA-N 0 0 514.050 3.119 50 0 KGAARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1nc(Cn2c3ccccc3nc2C(F)(F)F)no1 ZINC000012360429 553359252 /nfs/dbraw/zinc/35/92/52/553359252.db2.gz JQHVGYSSHWTTPX-UHFFFAOYSA-N 0 0 500.481 3.249 50 0 KGAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)c(Cl)cc2Cl)cc1OC ZINC000012371307 553360283 /nfs/dbraw/zinc/36/02/83/553360283.db2.gz QRNDEIWTAPOIHL-HNNXBMFYSA-N 0 0 517.431 3.440 50 0 KGAARN COc1ccc(CCNC(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)c(Cl)cc2Cl)cc1OC ZINC000012371308 553360293 /nfs/dbraw/zinc/36/02/93/553360293.db2.gz QRNDEIWTAPOIHL-OAHLLOKOSA-N 0 0 517.431 3.440 50 0 KGAARN CS(=O)(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccnc5cc(Cl)ccc54)CC3)ccc21 ZINC000012371830 553360648 /nfs/dbraw/zinc/36/06/48/553360648.db2.gz GADRTHYPBJRCSY-UHFFFAOYSA-N 0 0 521.064 3.111 50 0 KGAARN Cc1c(NS(=O)(=O)c2ccc3oc4cc(-n5cnnn5)ccc4c3c2)c(=O)n(-c2ccccc2)n1C ZINC000012372100 553360679 /nfs/dbraw/zinc/36/06/79/553360679.db2.gz HUGIKIDEHYJUGT-UHFFFAOYSA-N 0 0 501.528 3.160 50 0 KGAARN O=S(=O)(CCc1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCOCC2)o1)c1ccc(Cl)cc1 ZINC000012374492 553360874 /nfs/dbraw/zinc/36/08/74/553360874.db2.gz VRTIGPRUBFVKFD-UHFFFAOYSA-N 0 0 514.984 3.153 50 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ZINC000012659135 553411352 /nfs/dbraw/zinc/41/13/52/553411352.db2.gz BJCACCQONYDYDB-UHFFFAOYSA-N 0 0 511.025 3.324 50 0 KGAARN CN(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2-n2cnc3ccccc32)cc1 ZINC000012659191 553411354 /nfs/dbraw/zinc/41/13/54/553411354.db2.gz WDVIALJEKBEDSB-UHFFFAOYSA-N 0 0 505.600 3.365 50 0 KGAARN COC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012659463 553411369 /nfs/dbraw/zinc/41/13/69/553411369.db2.gz IZJKGRBRKWWWLE-AHSOYAGWSA-N 0 0 515.647 3.345 50 0 biogenic KGAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](OC(=O)c1cccnc1Cl)c1ccccc1 ZINC000012659906 553411528 /nfs/dbraw/zinc/41/15/28/553411528.db2.gz NEQUCJICLSTUOI-OAQYLSRUSA-N 0 0 515.975 3.293 50 0 KGAARN O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](OC(=O)c1cccnc1Cl)c1ccccc1 ZINC000012659908 553411499 /nfs/dbraw/zinc/41/14/99/553411499.db2.gz NEQUCJICLSTUOI-NRFANRHFSA-N 0 0 515.975 3.293 50 0 KGAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)Nc1ccc(F)c(F)c1 ZINC000012659915 553411728 /nfs/dbraw/zinc/41/17/28/553411728.db2.gz CABIBYQPDGCISA-UHFFFAOYSA-N 0 0 515.538 3.271 50 0 KGAARN Cn1c(N)c(C(=O)CSc2nnc(Cc3cccc4ccccc43)n2C2CCCCC2)c(=O)n(C)c1=O ZINC000012660348 553411726 /nfs/dbraw/zinc/41/17/26/553411726.db2.gz YFJJTVRUBGKCMY-UHFFFAOYSA-N 0 0 518.643 3.482 50 0 KGAARN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)N[C@@H]1CCCc2ccccc21 ZINC000012660458 553411749 /nfs/dbraw/zinc/41/17/49/553411749.db2.gz YULNGCLZYKGTGF-HXUWFJFHSA-N 0 0 527.565 3.254 50 0 KGAARN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)N[C@H]1CCCc2ccccc21 ZINC000012660459 553411744 /nfs/dbraw/zinc/41/17/44/553411744.db2.gz YULNGCLZYKGTGF-FQEVSTJZSA-N 0 0 527.565 3.254 50 0 KGAARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000012660612 553411919 /nfs/dbraw/zinc/41/19/19/553411919.db2.gz YNIFGNHTUBRHLX-SABDPVTBSA-N 0 0 507.580 3.267 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000012660615 553411853 /nfs/dbraw/zinc/41/18/53/553411853.db2.gz YNIFGNHTUBRHLX-FNVQEOSCSA-N 0 0 507.580 3.267 50 0 biogenic KGAARN CCOc1ccccc1-n1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2ccccc2c1=O ZINC000012660683 553411902 /nfs/dbraw/zinc/41/19/02/553411902.db2.gz OABATMOCOLFSAQ-UHFFFAOYSA-N 0 0 510.597 3.163 50 0 KGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012662128 553412416 /nfs/dbraw/zinc/41/24/16/553412416.db2.gz QYDXVBGVULNLOC-SANMLTNESA-N 0 0 522.671 3.227 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000012662437 553412601 /nfs/dbraw/zinc/41/26/01/553412601.db2.gz PSNULGYZTFJKLW-JXFKEZNVSA-N 0 0 524.659 3.154 50 0 biogenic KGAARN Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000012662918 553412594 /nfs/dbraw/zinc/41/25/94/553412594.db2.gz QGBIKFGUVOZZIK-ZEQRLZLVSA-N 0 0 528.694 3.390 50 0 biogenic KGAARN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1S(=O)(=O)N(C)C ZINC000012681832 553412742 /nfs/dbraw/zinc/41/27/42/553412742.db2.gz XZHYUVPEXHVWBZ-UHFFFAOYSA-N 0 0 500.042 3.326 50 0 KGAARN CCCCCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000012689183 553413025 /nfs/dbraw/zinc/41/30/25/553413025.db2.gz GXSFYOLHGCDGKX-UHFFFAOYSA-N 0 0 523.590 3.386 50 0 KGAARN O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012695054 553413114 /nfs/dbraw/zinc/41/31/14/553413114.db2.gz NCLIVAZZQWCKMK-UHFFFAOYSA-N 0 0 521.014 3.084 50 0 KGAARN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000012695153 553413151 /nfs/dbraw/zinc/41/31/51/553413151.db2.gz SONBMQWDVCLKFV-UHFFFAOYSA-N 0 0 518.595 3.334 50 0 KGAARN Cc1ccccc1Nc1nc(N)nc(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)n1 ZINC000012696341 553413332 /nfs/dbraw/zinc/41/33/32/553413332.db2.gz VVNFOBRTXIXPPJ-UHFFFAOYSA-N 0 0 508.435 3.319 50 0 KGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c(C)c1 ZINC000012700644 553413355 /nfs/dbraw/zinc/41/33/55/553413355.db2.gz VPSMFHKXEFIOEI-UHFFFAOYSA-N 0 0 502.596 3.149 50 0 KGAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnc5ccccc5c4=O)cc3)CC2)c1 ZINC000012700681 553413590 /nfs/dbraw/zinc/41/35/90/553413590.db2.gz GWARISJJBBUAMD-UHFFFAOYSA-N 0 0 502.596 3.149 50 0 KGAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012700832 553413577 /nfs/dbraw/zinc/41/35/77/553413577.db2.gz GDYCWJWLWZOCMF-XMMPIXPASA-N 0 0 517.698 3.094 50 0 KGAARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012700834 553413612 /nfs/dbraw/zinc/41/36/12/553413612.db2.gz GDYCWJWLWZOCMF-DEOSSOPVSA-N 0 0 517.698 3.094 50 0 KGAARN COc1ccc(CN2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)c(OC)c1C ZINC000012726550 553420424 /nfs/dbraw/zinc/42/04/24/553420424.db2.gz KQWNAMGXRLFNMF-UHFFFAOYSA-N 0 0 517.630 3.444 50 0 KGAARN COc1ccc(NC(=O)CCc2c(C)nc3nc(CNC(=O)c4cccc(F)c4)nn3c2C)cc1OC ZINC000012727182 553420322 /nfs/dbraw/zinc/42/03/22/553420322.db2.gz HIFIVURXPRKCSY-UHFFFAOYSA-N 0 0 506.538 3.399 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(COc3ccc(OC)cc3)n2C)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012740727 553420545 /nfs/dbraw/zinc/42/05/45/553420545.db2.gz NKUDDGXXFFRSTM-OAQYLSRUSA-N 0 0 513.576 3.268 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(COc3ccc(OC)cc3)n2C)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012740729 553420530 /nfs/dbraw/zinc/42/05/30/553420530.db2.gz NKUDDGXXFFRSTM-NRFANRHFSA-N 0 0 513.576 3.268 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(COc3ccc(Cl)cc3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000012741566 553420575 /nfs/dbraw/zinc/42/05/75/553420575.db2.gz KYERJDXNYKEATM-LJQANCHMSA-N 0 0 518.983 3.089 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(COc3ccc(Cl)cc3)n2N)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000012741568 553420517 /nfs/dbraw/zinc/42/05/17/553420517.db2.gz KYERJDXNYKEATM-IBGZPJMESA-N 0 0 518.983 3.089 50 0 KGAARN CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000012799854 553421003 /nfs/dbraw/zinc/42/10/03/553421003.db2.gz XMAOLLOAQGTCFH-UHFFFAOYSA-N 0 0 511.394 3.138 50 0 KGAARN CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1-c1ccccc1 ZINC000012809877 553421011 /nfs/dbraw/zinc/42/10/11/553421011.db2.gz OLCWZJAIEFQOPT-UHFFFAOYSA-N 0 0 506.053 3.244 50 0 KGAARN CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012823701 553421133 /nfs/dbraw/zinc/42/11/33/553421133.db2.gz DCGIPAXNRVNMGS-UHFFFAOYSA-N 0 0 507.016 3.404 50 0 KGAARN CCOc1ccc(CCNC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1OCC ZINC000012825379 553421206 /nfs/dbraw/zinc/42/12/06/553421206.db2.gz QKFKIXJTHXFHHY-UHFFFAOYSA-N 0 0 518.632 3.174 50 0 KGAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC000012825704 553421210 /nfs/dbraw/zinc/42/12/10/553421210.db2.gz KTUNSPOMYSGDRN-UHFFFAOYSA-N 0 0 507.008 3.391 50 0 KGAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)CC1 ZINC000012848902 553421918 /nfs/dbraw/zinc/42/19/18/553421918.db2.gz UYRMRQXVIYLNOS-UHFFFAOYSA-N 0 0 505.640 3.425 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c(=O)[nH]c1=O ZINC000012849520 553421956 /nfs/dbraw/zinc/42/19/56/553421956.db2.gz QARCXAJDXDVMGI-UHFFFAOYSA-N 0 0 503.559 3.022 50 0 KGAARN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCOc3ccc(Cl)cc3)c2)CC1 ZINC000012851504 553422040 /nfs/dbraw/zinc/42/20/40/553422040.db2.gz UINMGICZUPYDIS-UHFFFAOYSA-N 0 0 500.448 3.471 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(=O)[nH]c1=O ZINC000012852354 553422063 /nfs/dbraw/zinc/42/20/63/553422063.db2.gz LPDVXNKDFZDXRV-UHFFFAOYSA-N 0 0 507.016 3.404 50 0 KGAARN O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000012853398 553422045 /nfs/dbraw/zinc/42/20/45/553422045.db2.gz DSAFLTMZPTURGV-UHFFFAOYSA-N 0 0 506.422 3.113 50 0 KGAARN O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000012853759 553422083 /nfs/dbraw/zinc/42/20/83/553422083.db2.gz RQFIMPVJPIHEBO-UHFFFAOYSA-N 0 0 502.980 3.216 50 0 KGAARN CS(=O)(=O)N1CCN(c2ccccc2NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000012855053 553422103 /nfs/dbraw/zinc/42/21/03/553422103.db2.gz YBWYHLQVXCEHLF-UHFFFAOYSA-N 0 0 508.669 3.413 50 0 KGAARN Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000012860494 553422769 /nfs/dbraw/zinc/42/27/69/553422769.db2.gz KIBOHUOIMRICOL-REWPJTCUSA-N 0 0 516.683 3.294 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000012862050 553422935 /nfs/dbraw/zinc/42/29/35/553422935.db2.gz LHGGZNRIQJLDSO-UGKGYDQZSA-N 0 0 534.723 3.001 50 0 biogenic KGAARN COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000012866604 553423622 /nfs/dbraw/zinc/42/36/22/553423622.db2.gz AQDXQSNIMYPFAK-AVRDEDQJSA-N 0 0 518.655 3.235 50 0 biogenic KGAARN CCCCCN(C(=O)CCC(=O)OCCOc1cccc(Cl)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012866756 553423646 /nfs/dbraw/zinc/42/36/46/553423646.db2.gz ZCYXTMKVEGMLJB-UHFFFAOYSA-N 0 0 523.030 3.498 50 0 KGAARN COc1ccccc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000012866816 553423656 /nfs/dbraw/zinc/42/36/56/553423656.db2.gz MPLKPTVWFMZJAW-RXVVDRJESA-N 0 0 518.655 3.316 50 0 biogenic KGAARN CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012868054 553423845 /nfs/dbraw/zinc/42/38/45/553423845.db2.gz YYWZEKSSSPHSJW-IBGZPJMESA-N 0 0 514.623 3.345 50 0 KGAARN CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccc(C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012868059 553423869 /nfs/dbraw/zinc/42/38/69/553423869.db2.gz YYWZEKSSSPHSJW-LJQANCHMSA-N 0 0 514.623 3.345 50 0 KGAARN CCCCCN(C(=O)CCC(=O)O[C@@H](C)C(=O)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012869073 553423873 /nfs/dbraw/zinc/42/38/73/553423873.db2.gz NJURXKCQENRNNF-SFHVURJKSA-N 0 0 500.596 3.037 50 0 KGAARN CCCCCN(C(=O)CCC(=O)O[C@H](C)C(=O)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012869081 553423880 /nfs/dbraw/zinc/42/38/80/553423880.db2.gz NJURXKCQENRNNF-GOSISDBHSA-N 0 0 500.596 3.037 50 0 KGAARN CCCCCN(C(=O)CCC(=O)OCCOc1ccc(OCC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012869928 553423826 /nfs/dbraw/zinc/42/38/26/553423826.db2.gz QNMVZZZTTYWTQY-UHFFFAOYSA-N 0 0 532.638 3.243 50 0 KGAARN Cc1noc(C)c1CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F ZINC000012872722 553424208 /nfs/dbraw/zinc/42/42/08/553424208.db2.gz WZMZZOIGDQCVHP-UHFFFAOYSA-N 0 0 523.555 3.125 50 0 KGAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)CSc1nnc([C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000012873091 553424406 /nfs/dbraw/zinc/42/44/06/553424406.db2.gz UABGSVNDWOGHBM-UGSOOPFHSA-N 0 0 515.592 3.355 50 0 biogenic KGAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1 ZINC000012875251 553424582 /nfs/dbraw/zinc/42/45/82/553424582.db2.gz FFHNSVBMDCTNMS-NRFANRHFSA-N 0 0 507.616 3.128 50 0 KGAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)cc1 ZINC000012875259 553424525 /nfs/dbraw/zinc/42/45/25/553424525.db2.gz FFHNSVBMDCTNMS-OAQYLSRUSA-N 0 0 507.616 3.128 50 0 KGAARN CC(C)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000012877193 553424906 /nfs/dbraw/zinc/42/49/06/553424906.db2.gz LGHWEYMIURUVDB-XZOQPEGZSA-N 0 0 532.657 3.221 50 0 biogenic KGAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000012877260 553424915 /nfs/dbraw/zinc/42/49/15/553424915.db2.gz QWCRVGDQYFCGQM-SANMLTNESA-N 0 0 528.631 3.056 50 0 KGAARN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000012877266 553424894 /nfs/dbraw/zinc/42/48/94/553424894.db2.gz QWCRVGDQYFCGQM-AREMUKBSSA-N 0 0 528.631 3.056 50 0 KGAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2OC)cc1 ZINC000012880293 553425250 /nfs/dbraw/zinc/42/52/50/553425250.db2.gz WVZSUZPBJOCLBA-KRWDZBQOSA-N 0 0 527.599 3.250 50 0 KGAARN CCOc1ccc(NC(=O)COc2ccc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2OC)cc1 ZINC000012880301 553425453 /nfs/dbraw/zinc/42/54/53/553425453.db2.gz WVZSUZPBJOCLBA-QGZVFWFLSA-N 0 0 527.599 3.250 50 0 KGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887165 553426182 /nfs/dbraw/zinc/42/61/82/553426182.db2.gz LZHWTBSLFVCYEU-OFVPBTNNSA-N 0 0 514.626 3.464 50 0 biogenic KGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887180 553426185 /nfs/dbraw/zinc/42/61/85/553426185.db2.gz LZHWTBSLFVCYEU-FVEFYNANSA-N 0 0 514.626 3.464 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887441 553426238 /nfs/dbraw/zinc/42/62/38/553426238.db2.gz KRFNIBVBZRNIBR-IPOMGBOCSA-N 0 0 514.626 3.464 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887448 553426252 /nfs/dbraw/zinc/42/62/52/553426252.db2.gz KRFNIBVBZRNIBR-HGGVDMMUSA-N 0 0 514.626 3.464 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000012887456 553426227 /nfs/dbraw/zinc/42/62/27/553426227.db2.gz KRFNIBVBZRNIBR-DKSDRHEWSA-N 0 0 514.626 3.464 50 0 biogenic KGAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC ZINC000012887471 553426356 /nfs/dbraw/zinc/42/63/56/553426356.db2.gz OPGBRKUVCJTXEJ-PCWBSFAKSA-N 0 0 502.615 3.321 50 0 biogenic KGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC ZINC000012887476 553426349 /nfs/dbraw/zinc/42/63/49/553426349.db2.gz OPGBRKUVCJTXEJ-KJPXCWHJSA-N 0 0 502.615 3.321 50 0 biogenic KGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCCCOC ZINC000012887483 553426328 /nfs/dbraw/zinc/42/63/28/553426328.db2.gz OPGBRKUVCJTXEJ-WRSRFLKKSA-N 0 0 502.615 3.321 50 0 biogenic KGAARN CCCCCN(C(=O)CCC(=O)OCCOc1cccc(C)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012887617 553426324 /nfs/dbraw/zinc/42/63/24/553426324.db2.gz ZKESXMZJZWHHFJ-UHFFFAOYSA-N 0 0 502.612 3.153 50 0 KGAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1 ZINC000012887638 553426332 /nfs/dbraw/zinc/42/63/32/553426332.db2.gz HDXGXPZKHKFKEG-CCXQXCJASA-N 0 0 508.578 3.468 50 0 biogenic KGAARN CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000012887826 553426340 /nfs/dbraw/zinc/42/63/40/553426340.db2.gz MKYGYEGRROZEKQ-WRSRFLKKSA-N 0 0 500.599 3.074 50 0 biogenic KGAARN CC[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000012888533 553426351 /nfs/dbraw/zinc/42/63/51/553426351.db2.gz MIJFYFCMXLDURB-USAOXFDNSA-N 0 0 517.663 3.027 50 0 biogenic KGAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC ZINC000012891689 553426580 /nfs/dbraw/zinc/42/65/80/553426580.db2.gz IGOIBHLCOXTSIE-UHFFFAOYSA-N 0 0 530.647 3.319 50 0 KGAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)CCOc1ccc(OCC)cc1 ZINC000012894121 553426598 /nfs/dbraw/zinc/42/65/98/553426598.db2.gz HFEXFUCEHIDRNW-UHFFFAOYSA-N 0 0 506.577 3.285 50 0 KGAARN CCCCCN(C(=O)CCC(=O)OCCOc1ccccc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012902477 553426719 /nfs/dbraw/zinc/42/67/19/553426719.db2.gz JMRWWILFWIQBAU-UHFFFAOYSA-N 0 0 523.030 3.498 50 0 KGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1=O ZINC000012903185 553426908 /nfs/dbraw/zinc/42/69/08/553426908.db2.gz FWVJPCNVFIQQCI-SANMLTNESA-N 0 0 528.631 3.056 50 0 KGAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1=O ZINC000012903192 553426814 /nfs/dbraw/zinc/42/68/14/553426814.db2.gz FWVJPCNVFIQQCI-AREMUKBSSA-N 0 0 528.631 3.056 50 0 KGAARN CC(C)CN(C(=O)COC(=O)CCSc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012903209 553426933 /nfs/dbraw/zinc/42/69/33/553426933.db2.gz UYLZIIINQDFTTF-UHFFFAOYSA-N 0 0 528.606 3.021 50 0 KGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000012904671 553426936 /nfs/dbraw/zinc/42/69/36/553426936.db2.gz DSKRJEKQXUULQF-DEOSSOPVSA-N 0 0 519.023 3.310 50 0 KGAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)C1=O ZINC000012904676 553426899 /nfs/dbraw/zinc/42/68/99/553426899.db2.gz DSKRJEKQXUULQF-XMMPIXPASA-N 0 0 519.023 3.310 50 0 KGAARN CCCCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012906646 553426896 /nfs/dbraw/zinc/42/68/96/553426896.db2.gz PHBUPYUVNFNGRJ-GOSISDBHSA-N 0 0 504.031 3.258 50 0 KGAARN CCCCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012906652 553426893 /nfs/dbraw/zinc/42/68/93/553426893.db2.gz PHBUPYUVNFNGRJ-SFHVURJKSA-N 0 0 504.031 3.258 50 0 KGAARN COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1 ZINC000012908407 553427066 /nfs/dbraw/zinc/42/70/66/553427066.db2.gz FXBJRYJGAPXBOM-QFIPXVFZSA-N 0 0 510.616 3.398 50 0 KGAARN COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1 ZINC000012908413 553427052 /nfs/dbraw/zinc/42/70/52/553427052.db2.gz FXBJRYJGAPXBOM-JOCHJYFZSA-N 0 0 510.616 3.398 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000012913392 553427105 /nfs/dbraw/zinc/42/71/05/553427105.db2.gz DUHQUQHGALQMLX-JOCHJYFZSA-N 0 0 505.619 3.469 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000012913399 553427086 /nfs/dbraw/zinc/42/70/86/553427086.db2.gz DUHQUQHGALQMLX-QFIPXVFZSA-N 0 0 505.619 3.469 50 0 KGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)C2=O)cc1 ZINC000012914584 553427101 /nfs/dbraw/zinc/42/71/01/553427101.db2.gz KLJXFCPPBSTYPD-XMMPIXPASA-N 0 0 519.023 3.229 50 0 KGAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)C2=O)cc1 ZINC000012914589 553427085 /nfs/dbraw/zinc/42/70/85/553427085.db2.gz KLJXFCPPBSTYPD-DEOSSOPVSA-N 0 0 519.023 3.229 50 0 KGAARN O=C(c1ccc(-n2cnc3ccccc3c2=O)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012917121 553427308 /nfs/dbraw/zinc/42/73/08/553427308.db2.gz OQRMRANRUFJLAU-UHFFFAOYSA-N 0 0 508.987 3.186 50 0 KGAARN COc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000012919014 553427279 /nfs/dbraw/zinc/42/72/79/553427279.db2.gz XFVYIRVFXAVOKZ-UHFFFAOYSA-N 0 0 524.437 3.391 50 0 KGAARN Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C ZINC000012923854 553427443 /nfs/dbraw/zinc/42/74/43/553427443.db2.gz ZAEJHFNRXXHASQ-UHFFFAOYSA-N 0 0 504.962 3.388 50 0 KGAARN COc1ccc(CCNC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)cc1OC ZINC000012924690 553427469 /nfs/dbraw/zinc/42/74/69/553427469.db2.gz KVYAUDZFBFRSIV-QHCPKHFHSA-N 0 0 524.643 3.489 50 0 KGAARN COc1ccc(CCNC(=O)c2cccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)c2)cc1OC ZINC000012924694 553427484 /nfs/dbraw/zinc/42/74/84/553427484.db2.gz KVYAUDZFBFRSIV-HSZRJFAPSA-N 0 0 524.643 3.489 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(-c3cccc(Cl)c3)n2N)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000012925728 553427464 /nfs/dbraw/zinc/42/74/64/553427464.db2.gz NZGDQQOBBCUTHY-LJQANCHMSA-N 0 0 514.995 3.284 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(-c3cccc(Cl)c3)n2N)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000012925732 553427552 /nfs/dbraw/zinc/42/75/52/553427552.db2.gz NZGDQQOBBCUTHY-IBGZPJMESA-N 0 0 514.995 3.284 50 0 KGAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)cc1 ZINC000012926086 553427495 /nfs/dbraw/zinc/42/74/95/553427495.db2.gz SLWQFHTVHRGNOB-HSZRJFAPSA-N 0 0 505.706 3.462 50 0 KGAARN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)CC2)cc1 ZINC000012926091 553427567 /nfs/dbraw/zinc/42/75/67/553427567.db2.gz SLWQFHTVHRGNOB-QHCPKHFHSA-N 0 0 505.706 3.462 50 0 KGAARN CCCCCN(C(=O)CCC(=O)OCc1cc(C(C)=O)ccc1OC)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012927157 553427515 /nfs/dbraw/zinc/42/75/15/553427515.db2.gz KPBNUXPUDDTIHT-UHFFFAOYSA-N 0 0 530.622 3.177 50 0 KGAARN CCCCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000012927176 553427505 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O=C([C@@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCN(c2ccccc2F)CC1 ZINC000014993306 553524178 /nfs/dbraw/zinc/52/41/78/553524178.db2.gz XAHXXHSEWIWOAQ-RTWAWAEBSA-N 0 0 520.605 3.166 50 0 KGAARN O=C([C@H]1CCCN(c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3=O)C1)N1CCN(c2ccccc2F)CC1 ZINC000014993309 553524165 /nfs/dbraw/zinc/52/41/65/553524165.db2.gz XAHXXHSEWIWOAQ-SFTDATJTSA-N 0 0 520.605 3.166 50 0 KGAARN COc1ccc(OC)c(CN2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)c1 ZINC000014994624 553524340 /nfs/dbraw/zinc/52/43/40/553524340.db2.gz PMROPIUBMAEMKC-UHFFFAOYSA-N 0 0 503.603 3.136 50 0 KGAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)CC1 ZINC000014995387 553524335 /nfs/dbraw/zinc/52/43/35/553524335.db2.gz FKEUZPCNUGNNNE-JOCHJYFZSA-N 0 0 520.652 3.045 50 0 KGAARN CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)CC1 ZINC000014995390 553524317 /nfs/dbraw/zinc/52/43/17/553524317.db2.gz FKEUZPCNUGNNNE-QFIPXVFZSA-N 0 0 520.652 3.045 50 0 KGAARN CN(Cc1cscn1)Cc1cccc(OCCN2CCN(C(=O)[C@@H]3Cc4ccccc4CN3C)CC2)c1 ZINC000014996677 1059559311 /nfs/dbraw/zinc/55/93/11/1059559311.db2.gz OOSPTDVUVBMJKO-NDEPHWFRSA-N 0 0 519.715 3.355 50 0 KGAARN CN(Cc1cscn1)Cc1cccc(OCCN2CCN(C(=O)[C@H]3Cc4ccccc4CN3C)CC2)c1 ZINC000014996682 1059559494 /nfs/dbraw/zinc/55/94/94/1059559494.db2.gz OOSPTDVUVBMJKO-MUUNZHRXSA-N 0 0 519.715 3.355 50 0 KGAARN COCCCN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)c2C1=O ZINC000014997553 553524644 /nfs/dbraw/zinc/52/46/44/553524644.db2.gz PLLYYCNRJOPYNF-HXUWFJFHSA-N 0 0 508.594 3.023 50 0 KGAARN COCCCN1C(=O)c2cccc(N3CCC[C@H](C(=O)N4CCN(c5ccc(F)cc5)CC4)C3)c2C1=O ZINC000014997556 553524574 /nfs/dbraw/zinc/52/45/74/553524574.db2.gz PLLYYCNRJOPYNF-FQEVSTJZSA-N 0 0 508.594 3.023 50 0 KGAARN COc1cc(CC(=O)NCc2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)cc(OC)c1OC ZINC000014998750 553524622 /nfs/dbraw/zinc/52/46/22/553524622.db2.gz NDAQXTKWCBWZIT-FQEVSTJZSA-N 0 0 512.632 3.482 50 0 KGAARN COc1cc(CC(=O)NCc2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cc(OC)c1OC ZINC000014998753 553524607 /nfs/dbraw/zinc/52/46/07/553524607.db2.gz NDAQXTKWCBWZIT-HXUWFJFHSA-N 0 0 512.632 3.482 50 0 KGAARN O=C(NCC1(O)CCCCC1)C1CCN(c2cccc3c2C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)CC1 ZINC000015001917 553524951 /nfs/dbraw/zinc/52/49/51/553524951.db2.gz NZAFJTPKMLXGSD-UHFFFAOYSA-N 0 0 519.598 3.239 50 0 KGAARN COc1ccc2cc(CN(CCCN3CCCC3=O)C(=O)c3cncs3)c(N3CCOCC3)nc2c1 ZINC000015004552 1060022058 /nfs/dbraw/zinc/02/20/58/1060022058.db2.gz HBZBHOQAXIZAJZ-UHFFFAOYSA-N 0 0 509.632 3.191 50 0 KGAARN COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)c5csc(C)n5)CC4)c3C2=O)c1OC ZINC000015005079 553525185 /nfs/dbraw/zinc/52/51/85/553525185.db2.gz NDXGDRRADYUUET-UHFFFAOYSA-N 0 0 506.584 3.227 50 0 KGAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@@H]3CCCO3)C(=O)c3ccco3)cc12 ZINC000015008311 1060022034 /nfs/dbraw/zinc/02/20/34/1060022034.db2.gz HUZTWFQAXVUALK-NRFANRHFSA-N 0 0 522.602 3.335 50 0 KGAARN COc1ccc(OC)c2nc(N3CCN(C(C)=O)CC3)c(CN(C[C@H]3CCCO3)C(=O)c3ccco3)cc12 ZINC000015008313 1060022947 /nfs/dbraw/zinc/02/29/47/1060022947.db2.gz HUZTWFQAXVUALK-OAQYLSRUSA-N 0 0 522.602 3.335 50 0 KGAARN CCc1ccc(N2C[C@H](C(=O)NCC(C)(C)CNC(=O)[C@H]3CC(=O)N(c4ccc(CC)cc4)C3)CC2=O)cc1 ZINC000015014170 553525608 /nfs/dbraw/zinc/52/56/08/553525608.db2.gz KZLJPIRBMRMRKR-PSWAGMNNSA-N 0 0 532.685 3.476 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000015018599 553526446 /nfs/dbraw/zinc/52/64/46/553526446.db2.gz WHLRSCHFSJUROT-DLBLZJNESA-N 0 0 508.596 3.214 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000015018600 553526443 /nfs/dbraw/zinc/52/64/43/553526443.db2.gz WHLRSCHFSJUROT-FCKOQQNDSA-N 0 0 508.596 3.214 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000015018603 553526436 /nfs/dbraw/zinc/52/64/36/553526436.db2.gz AOZHHIKGSGXOEV-DLBLZJNESA-N 0 0 508.596 3.214 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000015018604 553526463 /nfs/dbraw/zinc/52/64/63/553526463.db2.gz AOZHHIKGSGXOEV-FCKOQQNDSA-N 0 0 508.596 3.214 50 0 KGAARN COCCOC(=O)[C@@H]1[C@H](c2ccc(F)c(Oc3ccccc3)c2)[C@H](C(=O)OCCOC)C(=O)C[C@]1(C)O ZINC000015021645 553526655 /nfs/dbraw/zinc/52/66/55/553526655.db2.gz CFVOTOSUBYRPIK-INADMSBESA-N 0 0 518.534 3.037 50 0 KGAARN COCCOC(=O)[C@@H]1[C@@H](c2ccc(F)c(Oc3ccccc3)c2)[C@H](C(=O)OCCOC)C(=O)C[C@]1(C)O ZINC000015021651 553526704 /nfs/dbraw/zinc/52/67/04/553526704.db2.gz CFVOTOSUBYRPIK-LAOBSVPGSA-N 0 0 518.534 3.037 50 0 KGAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)c(N3CCOCC3)nc2c1 ZINC000015070347 1060023362 /nfs/dbraw/zinc/02/33/62/1060023362.db2.gz LFKFOYCBDKEHAR-QHCPKHFHSA-N 0 0 506.603 3.207 50 0 KGAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cc(C)c(C)[nH]c3=O)c(N3CCOCC3)nc2c1 ZINC000015070349 1060022980 /nfs/dbraw/zinc/02/29/80/1060022980.db2.gz LFKFOYCBDKEHAR-HSZRJFAPSA-N 0 0 506.603 3.207 50 0 KGAARN COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)CCn3nc(C)cc3C)c(N3CCOCC3)nc2c1 ZINC000015072603 1060023385 /nfs/dbraw/zinc/02/33/85/1060023385.db2.gz QALODBHFHZNTFS-VWLOTQADSA-N 0 0 507.635 3.491 50 0 KGAARN COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)CCn3nc(C)cc3C)c(N3CCOCC3)nc2c1 ZINC000015072606 1060023335 /nfs/dbraw/zinc/02/33/35/1060023335.db2.gz QALODBHFHZNTFS-RUZDIDTESA-N 0 0 507.635 3.491 50 0 KGAARN COc1cc(NC(C)=O)c(CNC(=O)CSc2ccccn2)cc1CNC(=O)CSc1ccccn1 ZINC000015108667 553528050 /nfs/dbraw/zinc/52/80/50/553528050.db2.gz SNOCCRZTHSWRLT-UHFFFAOYSA-N 0 0 525.656 3.261 50 0 KGAARN O=C(OCCOc1ccc(Br)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015152885 553528452 /nfs/dbraw/zinc/52/84/52/553528452.db2.gz CHUIVTQELOZTIR-UHFFFAOYSA-N 0 0 504.786 3.359 50 0 KGAARN O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000015153299 553528435 /nfs/dbraw/zinc/52/84/35/553528435.db2.gz JIFNHQKWGKBDCV-UHFFFAOYSA-N 0 0 522.623 3.136 50 0 KGAARN Cc1ccc(C)c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 ZINC000015230981 553529891 /nfs/dbraw/zinc/52/98/91/553529891.db2.gz CVUKVUQLYWLIBS-DEOSSOPVSA-N 0 0 513.641 3.006 50 0 KGAARN Cc1ccc(C)c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1 ZINC000015230983 553529912 /nfs/dbraw/zinc/52/99/12/553529912.db2.gz CVUKVUQLYWLIBS-XMMPIXPASA-N 0 0 513.641 3.006 50 0 KGAARN COc1ccc(CC(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000015307206 553531346 /nfs/dbraw/zinc/53/13/46/553531346.db2.gz HSMNHBARTYVCSN-QFIPXVFZSA-N 0 0 506.559 3.439 50 0 KGAARN COc1ccc(CC(=O)NN2C(=S)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000015307211 553531357 /nfs/dbraw/zinc/53/13/57/553531357.db2.gz HSMNHBARTYVCSN-JOCHJYFZSA-N 0 0 506.559 3.439 50 0 KGAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000015315976 553531524 /nfs/dbraw/zinc/53/15/24/553531524.db2.gz XEZJCEQYQNHCGV-IBGZPJMESA-N 0 0 513.616 3.323 50 0 KGAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1S(=O)(=O)N1CCCCCC1 ZINC000015315978 553531466 /nfs/dbraw/zinc/53/14/66/553531466.db2.gz XEZJCEQYQNHCGV-LJQANCHMSA-N 0 0 513.616 3.323 50 0 KGAARN COc1ccc(-n2nnnc2C2(N3CCN(C(=O)c4ccco4)CC3)C3CC4CC(C3)CC2C4)cc1OC ZINC000015414086 553532555 /nfs/dbraw/zinc/53/25/55/553532555.db2.gz HWNHQQSHBLYJMD-UHFFFAOYSA-N 0 0 518.618 3.382 50 0 KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N(C)Cc4ccccc4)cc1)N(C)CC3)OCO2 ZINC000015414779 553532846 /nfs/dbraw/zinc/53/28/46/553532846.db2.gz AFSJPHIBYRFSFB-XMMPIXPASA-N 0 0 512.570 3.249 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N(C)Cc4ccccc4)cc1)N(C)CC3)OCO2 ZINC000015414782 553532802 /nfs/dbraw/zinc/53/28/02/553532802.db2.gz AFSJPHIBYRFSFB-DEOSSOPVSA-N 0 0 512.570 3.249 50 0 biogenic KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCc5ccccc54)cc1)N(C)CC3)OCO2 ZINC000015414864 553532809 /nfs/dbraw/zinc/53/28/09/553532809.db2.gz NKAJTUFEWCOYAP-XMMPIXPASA-N 0 0 510.554 3.180 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCc5ccccc54)cc1)N(C)CC3)OCO2 ZINC000015414867 553532778 /nfs/dbraw/zinc/53/27/78/553532778.db2.gz NKAJTUFEWCOYAP-DEOSSOPVSA-N 0 0 510.554 3.180 50 0 biogenic KGAARN COc1cccc(NC(=O)c2ccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c1 ZINC000015414904 553532839 /nfs/dbraw/zinc/53/28/39/553532839.db2.gz MQBQHWWHNQMAIO-HSZRJFAPSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1cccc(NC(=O)c2ccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c1 ZINC000015414907 553532668 /nfs/dbraw/zinc/53/26/68/553532668.db2.gz MQBQHWWHNQMAIO-QHCPKHFHSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1ccccc1NC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000015414982 553532898 /nfs/dbraw/zinc/53/28/98/553532898.db2.gz KXBQGIHRSMVHIK-HSZRJFAPSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1ccccc1NC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000015414985 553532771 /nfs/dbraw/zinc/53/27/71/553532771.db2.gz KXBQGIHRSMVHIK-QHCPKHFHSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NC4CCCCCC4)c1)N(C)CC3)OCO2 ZINC000015415362 553532979 /nfs/dbraw/zinc/53/29/79/553532979.db2.gz ABUNLTFIYKNXON-HSZRJFAPSA-N 0 0 504.591 3.430 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NC4CCCCCC4)c1)N(C)CC3)OCO2 ZINC000015415365 553533062 /nfs/dbraw/zinc/53/30/62/553533062.db2.gz ABUNLTFIYKNXON-QHCPKHFHSA-N 0 0 504.591 3.430 50 0 biogenic KGAARN COc1ccccc1NC(=O)c1cccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000015415383 553533007 /nfs/dbraw/zinc/53/30/07/553533007.db2.gz JSQUYAYSKNPMIJ-HSZRJFAPSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1ccccc1NC(=O)c1cccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000015415386 553533047 /nfs/dbraw/zinc/53/30/47/553533047.db2.gz JSQUYAYSKNPMIJ-QHCPKHFHSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1cccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1 ZINC000015415389 553532973 /nfs/dbraw/zinc/53/29/73/553532973.db2.gz UPAZTTDANZCRHQ-HSZRJFAPSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1cccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1 ZINC000015415392 553533013 /nfs/dbraw/zinc/53/30/13/553533013.db2.gz UPAZTTDANZCRHQ-QHCPKHFHSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1ccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)cc1 ZINC000015415395 553533020 /nfs/dbraw/zinc/53/30/20/553533020.db2.gz HPFATHDKOHHTEH-HSZRJFAPSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1ccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)cc1 ZINC000015415398 553533075 /nfs/dbraw/zinc/53/30/75/553533075.db2.gz HPFATHDKOHHTEH-QHCPKHFHSA-N 0 0 514.542 3.238 50 0 biogenic KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCc5ccccc54)c1)N(C)CC3)OCO2 ZINC000015415443 553533092 /nfs/dbraw/zinc/53/30/92/553533092.db2.gz GINSKDOTQMNTDT-XMMPIXPASA-N 0 0 510.554 3.180 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCc5ccccc54)c1)N(C)CC3)OCO2 ZINC000015415446 553532936 /nfs/dbraw/zinc/53/29/36/553532936.db2.gz GINSKDOTQMNTDT-DEOSSOPVSA-N 0 0 510.554 3.180 50 0 biogenic KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N[C@@H](C)c4ccccc4)c1)N(C)CC3)OCO2 ZINC000015415461 553532946 /nfs/dbraw/zinc/53/29/46/553532946.db2.gz UCVCSFZQHHAURG-BXKMTCNYSA-N 0 0 512.570 3.468 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N[C@@H](C)c4ccccc4)c1)N(C)CC3)OCO2 ZINC000015415464 553533030 /nfs/dbraw/zinc/53/30/30/553533030.db2.gz UCVCSFZQHHAURG-XDHUDOTRSA-N 0 0 512.570 3.468 50 0 biogenic KGAARN COc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)NC(=O)c3ccccc3Cl)C2=O)cc1OC ZINC000015623867 1059138394 /nfs/dbraw/zinc/13/83/94/1059138394.db2.gz GOWSOKQVMRQFPH-DABDWFRDSA-N 0 0 517.991 3.328 50 0 KGAARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000015634864 553533719 /nfs/dbraw/zinc/53/37/19/553533719.db2.gz RGEQGIDZRCSSGS-DEOSSOPVSA-N 0 0 503.580 3.317 50 0 KGAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cc(=O)[nH]c4ccccc43)C2=O)cc(OC)c1OC ZINC000015635020 1059534299 /nfs/dbraw/zinc/53/42/99/1059534299.db2.gz IRUFILZNVPUAIF-NDENLUEZSA-N 0 0 509.540 3.020 50 0 KGAARN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCN4CCOCC4)c(Cl)c3n2)cc1OC ZINC000015659633 553533894 /nfs/dbraw/zinc/53/38/94/553533894.db2.gz BOYQAHHWUAEPAM-UHFFFAOYSA-N 0 0 513.904 3.148 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000015659645 553533925 /nfs/dbraw/zinc/53/39/25/553533925.db2.gz KJDIKYQRIADKML-QMDZLVRISA-N 0 0 503.374 3.162 50 0 KGAARN CCCCN1C(=O)c2cc(C(=O)NCCc3ccc(OCC)cc3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000015723890 553535301 /nfs/dbraw/zinc/53/53/01/553535301.db2.gz IILMOQYCYBQHAE-NDEPHWFRSA-N 0 0 509.651 3.328 50 0 KGAARN CCCCN1C(=O)c2cc(C(=O)NCCc3ccc(OCC)cc3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000015723892 553535293 /nfs/dbraw/zinc/53/52/93/553535293.db2.gz IILMOQYCYBQHAE-MUUNZHRXSA-N 0 0 509.651 3.328 50 0 KGAARN CCOC(=O)C1CCN(C(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)CC1 ZINC000015732908 553535506 /nfs/dbraw/zinc/53/55/06/553535506.db2.gz PLILKBRYDTYFQX-UHFFFAOYSA-N 0 0 526.611 3.214 50 0 KGAARN COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)S2(=O)=O)cc1 ZINC000015732911 553535452 /nfs/dbraw/zinc/53/54/52/553535452.db2.gz DYQKOJZDVNEPRU-UHFFFAOYSA-N 0 0 520.563 3.457 50 0 KGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)C1 ZINC000015732917 553535730 /nfs/dbraw/zinc/53/57/30/553535730.db2.gz JEQXAQFKJWXHAF-JOCHJYFZSA-N 0 0 526.611 3.214 50 0 KGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CN3C(=O)C(C)=C(c4ccc(OC)cc4)S3(=O)=O)cc2)C1 ZINC000015732918 553535705 /nfs/dbraw/zinc/53/57/05/553535705.db2.gz JEQXAQFKJWXHAF-QFIPXVFZSA-N 0 0 526.611 3.214 50 0 KGAARN COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCC(=O)OCc1ccccc1 ZINC000015768159 553536068 /nfs/dbraw/zinc/53/60/68/553536068.db2.gz XHVOSJTXMZIOFQ-PXLXIMEGSA-N 0 0 502.523 3.445 50 0 KGAARN O=C(Nc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000015769164 553536082 /nfs/dbraw/zinc/53/60/82/553536082.db2.gz XCSUZGWICCUCIT-JOCHJYFZSA-N 0 0 520.032 3.043 50 0 KGAARN COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)cc1 ZINC000015785615 553536575 /nfs/dbraw/zinc/53/65/75/553536575.db2.gz HWZQQXNYBBJCAD-GOSISDBHSA-N 0 0 517.673 3.404 50 0 KGAARN COc1ccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)cc1 ZINC000015785616 553536569 /nfs/dbraw/zinc/53/65/69/553536569.db2.gz HWZQQXNYBBJCAD-SFHVURJKSA-N 0 0 517.673 3.404 50 0 KGAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@H](C)CC2=O)c1 ZINC000015785617 553536564 /nfs/dbraw/zinc/53/65/64/553536564.db2.gz OBNCSHAEWQTSLW-GOSISDBHSA-N 0 0 517.673 3.404 50 0 KGAARN COc1cccc(CNC(=O)CN2c3cc(S(=O)(=O)N4CCCCC4)ccc3S[C@@H](C)CC2=O)c1 ZINC000015785618 553536593 /nfs/dbraw/zinc/53/65/93/553536593.db2.gz OBNCSHAEWQTSLW-SFHVURJKSA-N 0 0 517.673 3.404 50 0 KGAARN COc1ccc(N2C(=O)[C@@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3ccccc3)C2=S)cc1 ZINC000015799040 553536784 /nfs/dbraw/zinc/53/67/84/553536784.db2.gz INIQVUPMEHXVBL-HSZRJFAPSA-N 0 0 502.596 3.091 50 0 KGAARN COc1ccc(N2C(=O)[C@H](CC(=O)NCCc3ccccc3)N(NC(=O)c3ccccc3)C2=S)cc1 ZINC000015799043 553536739 /nfs/dbraw/zinc/53/67/39/553536739.db2.gz INIQVUPMEHXVBL-QHCPKHFHSA-N 0 0 502.596 3.091 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CC(=O)OC)C2=S)cc1 ZINC000015799287 553536720 /nfs/dbraw/zinc/53/67/20/553536720.db2.gz YKLIMFVYNSSJHF-GOSISDBHSA-N 0 0 503.964 3.021 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC(=O)OC)C2=S)cc1 ZINC000015799289 553536786 /nfs/dbraw/zinc/53/67/86/553536786.db2.gz YKLIMFVYNSSJHF-SFHVURJKSA-N 0 0 503.964 3.021 50 0 KGAARN COc1ccc(OC)c(N(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000015822712 553536749 /nfs/dbraw/zinc/53/67/49/553536749.db2.gz ITWWSKSYBXPRQA-UHFFFAOYSA-N 0 0 523.655 3.404 50 0 KGAARN COc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000015827326 553537040 /nfs/dbraw/zinc/53/70/40/553537040.db2.gz JFLVBSIJXVPWSW-UHFFFAOYSA-N 0 0 511.556 3.164 50 0 KGAARN COc1cccc(CNC(=O)CN2c3ccccc3S(=O)(=O)N(c3ccc(OC)c(OC)c3)C2=O)c1 ZINC000015827343 553536985 /nfs/dbraw/zinc/53/69/85/553536985.db2.gz QFIOVVSZKOXMBN-UHFFFAOYSA-N 0 0 511.556 3.164 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NC1CCCCC1 ZINC000015827432 553537036 /nfs/dbraw/zinc/53/70/36/553537036.db2.gz FWRYPOSWHVAYRR-SFTDATJTSA-N 0 0 528.675 3.025 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@@H]1CCCO1)NC1CCCCC1 ZINC000015827434 553536997 /nfs/dbraw/zinc/53/69/97/553536997.db2.gz FWRYPOSWHVAYRR-RTWAWAEBSA-N 0 0 528.675 3.025 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)NC1CCCCC1 ZINC000015827436 553537050 /nfs/dbraw/zinc/53/70/50/553537050.db2.gz FWRYPOSWHVAYRR-LEWJYISDSA-N 0 0 528.675 3.025 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1C[C@H]1CCCO1)NC1CCCCC1 ZINC000015827438 553537057 /nfs/dbraw/zinc/53/70/57/553537057.db2.gz FWRYPOSWHVAYRR-NHCUHLMSSA-N 0 0 528.675 3.025 50 0 KGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000015857484 553537612 /nfs/dbraw/zinc/53/76/12/553537612.db2.gz NEFOMNBRNQSXNT-WTGUMLROSA-N 0 0 524.661 3.075 50 0 KGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000015857488 553537682 /nfs/dbraw/zinc/53/76/82/553537682.db2.gz NEFOMNBRNQSXNT-FGYAAKKASA-N 0 0 524.661 3.075 50 0 KGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@@H](C)O1 ZINC000015857491 553537596 /nfs/dbraw/zinc/53/75/96/553537596.db2.gz NEFOMNBRNQSXNT-XLLXOSNRSA-N 0 0 524.661 3.075 50 0 KGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)C[C@H](C)O1 ZINC000015857494 553537679 /nfs/dbraw/zinc/53/76/79/553537679.db2.gz NEFOMNBRNQSXNT-LWYYNNOASA-N 0 0 524.661 3.075 50 0 KGAARN O=C(C1CCN(c2ccc(-c3ccc(Br)s3)nn2)CC1)N1CCN(c2ncccn2)CC1 ZINC000015864570 553538844 /nfs/dbraw/zinc/53/88/44/553538844.db2.gz RRYVRGRDBYCOFB-UHFFFAOYSA-N 0 0 514.453 3.323 50 0 KGAARN Cc1nn(CC(=O)N2CCCC2)c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000015865881 553538952 /nfs/dbraw/zinc/53/89/52/553538952.db2.gz GRHUIJXVODUVKY-UHFFFAOYSA-N 0 0 522.071 3.124 50 0 KGAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000015866027 553539502 /nfs/dbraw/zinc/53/95/02/553539502.db2.gz RMYMNUZJKBQQEX-QGZVFWFLSA-N 0 0 505.593 3.070 50 0 KGAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000015866028 553539467 /nfs/dbraw/zinc/53/94/67/553539467.db2.gz RMYMNUZJKBQQEX-KRWDZBQOSA-N 0 0 505.593 3.070 50 0 KGAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000015866035 553539503 /nfs/dbraw/zinc/53/95/03/553539503.db2.gz NBEVMEHYBDWUMH-GOSISDBHSA-N 0 0 519.620 3.112 50 0 KGAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000015866036 553539497 /nfs/dbraw/zinc/53/94/97/553539497.db2.gz NBEVMEHYBDWUMH-SFHVURJKSA-N 0 0 519.620 3.112 50 0 KGAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(C)cc1Br ZINC000015866063 553539679 /nfs/dbraw/zinc/53/96/79/553539679.db2.gz IZEKJEHZIQSGPH-UHFFFAOYSA-N 0 0 500.415 3.289 50 0 KGAARN CCOC(=O)c1c(C)n(CC)c(C)c1S(=O)(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000015866065 553539671 /nfs/dbraw/zinc/53/96/71/553539671.db2.gz UDGZZNUHGBVBEB-UHFFFAOYSA-N 0 0 500.415 3.289 50 0 KGAARN COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCC(C)CC4)c(=O)c3c2C)cc(OC)c1OC ZINC000015879907 553539852 /nfs/dbraw/zinc/53/98/52/553539852.db2.gz SZZDXHZECQZMRR-UHFFFAOYSA-N 0 0 514.604 3.303 50 0 KGAARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCCN1CCOCC1 ZINC000015880078 553540013 /nfs/dbraw/zinc/54/00/13/553540013.db2.gz AEXPFVYHFSSIHI-CJLVFECKSA-N 0 0 500.393 3.054 50 0 KGAARN COc1ccc(C2=NN(C(=O)CSc3nnc4[nH]c(=O)cc(C)n43)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000015881759 553539903 /nfs/dbraw/zinc/53/99/03/553539903.db2.gz UMPSPILBYKHWHM-NRFANRHFSA-N 0 0 504.572 3.213 50 0 KGAARN 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O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)NC1CCCC1 ZINC000020643954 553683770 /nfs/dbraw/zinc/68/37/70/553683770.db2.gz YTNNHZFOALSIDI-UHFFFAOYSA-N 0 0 519.671 3.286 50 0 KGAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000020643978 553683802 /nfs/dbraw/zinc/68/38/02/553683802.db2.gz RVRZVAQKWYGOPK-HXUWFJFHSA-N 0 0 507.660 3.142 50 0 KGAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000020643980 553683774 /nfs/dbraw/zinc/68/37/74/553683774.db2.gz RVRZVAQKWYGOPK-FQEVSTJZSA-N 0 0 507.660 3.142 50 0 KGAARN CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1 ZINC000020644064 553683776 /nfs/dbraw/zinc/68/37/76/553683776.db2.gz RBOVXEFKHMMWCB-UHFFFAOYSA-N 0 0 500.068 3.144 50 0 KGAARN CCCN(CCC)C(=O)CSc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccco1 ZINC000020644107 553684031 /nfs/dbraw/zinc/68/40/31/553684031.db2.gz RMNPJTBZADXSOZ-UHFFFAOYSA-N 0 0 500.621 3.155 50 0 KGAARN CCCCN(CC)C(=O)CSc1nc2cc(C(=O)NCCOC)ccc2c(=O)n1Cc1ccco1 ZINC000020644109 553684026 /nfs/dbraw/zinc/68/40/26/553684026.db2.gz DEIHSXPCHXCGIX-UHFFFAOYSA-N 0 0 500.621 3.155 50 0 KGAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)N(C)Cc1ccccc1)n(Cc1ccco1)c2=O ZINC000020644116 553684019 /nfs/dbraw/zinc/68/40/19/553684019.db2.gz LSWMCCXEBWAHPS-UHFFFAOYSA-N 0 0 520.611 3.165 50 0 KGAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1)NCCCN1CCOCC1 ZINC000020644148 553684028 /nfs/dbraw/zinc/68/40/28/553684028.db2.gz DDOSASRPGLCGPV-UHFFFAOYSA-N 0 0 526.634 3.129 50 0 KGAARN CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020644266 553684366 /nfs/dbraw/zinc/68/43/66/553684366.db2.gz VQVYFKJZOIFJBW-GOSISDBHSA-N 0 0 526.659 3.170 50 0 KGAARN CC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1 ZINC000020644268 553684337 /nfs/dbraw/zinc/68/43/37/553684337.db2.gz VQVYFKJZOIFJBW-SFHVURJKSA-N 0 0 526.659 3.170 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)NC1CCCC1 ZINC000020644291 553684335 /nfs/dbraw/zinc/68/43/35/553684335.db2.gz UXTCBKOJVCNKNL-IBGZPJMESA-N 0 0 510.616 3.098 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c(=O)n1Cc1ccco1)NC1CCCC1 ZINC000020644293 553684372 /nfs/dbraw/zinc/68/43/72/553684372.db2.gz UXTCBKOJVCNKNL-LJQANCHMSA-N 0 0 510.616 3.098 50 0 KGAARN CCOC(Cn1c(SCC(=O)N2CCN(c3ccccc3OC)CC2)nc2ccccc2c1=O)OCC ZINC000020644300 553684339 /nfs/dbraw/zinc/68/43/39/553684339.db2.gz PKXFYXYVCWEVHK-UHFFFAOYSA-N 0 0 526.659 3.245 50 0 KGAARN O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 ZINC000020644350 553684346 /nfs/dbraw/zinc/68/43/46/553684346.db2.gz ACHKFOCJDCDHMG-UHFFFAOYSA-N 0 0 517.586 3.360 50 0 KGAARN O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(F)cc1 ZINC000020663102 553685924 /nfs/dbraw/zinc/68/59/24/553685924.db2.gz GQJZXGZVIFEIAS-WNUQGJNESA-N 0 0 501.514 3.133 50 0 biogenic KGAARN COc1ccc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC ZINC000020663110 553685945 /nfs/dbraw/zinc/68/59/45/553685945.db2.gz JSNPMCCWIJQJQG-CHFVUIEWSA-N 0 0 517.557 3.421 50 0 biogenic KGAARN O=C(N/C(=C\c1ccc2c(c1)OCO2)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1F ZINC000020663118 553685949 /nfs/dbraw/zinc/68/59/49/553685949.db2.gz XPJAJBARXPEGFZ-YLKQRKHXSA-N 0 0 501.514 3.133 50 0 biogenic KGAARN COc1cc(/C=C(\NC(=O)C2CCCCC2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1OC(C)=O ZINC000020663148 553685913 /nfs/dbraw/zinc/68/59/13/553685913.db2.gz HUINUEJLAVVRHE-IBPFXZHGSA-N 0 0 533.625 3.466 50 0 biogenic KGAARN COc1ccc(C(=O)N/C(=C\c2cc(OC)ccc2OC)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020663156 553685906 /nfs/dbraw/zinc/68/59/06/553685906.db2.gz KNNADIQDNGPJEK-YJFDKCLYSA-N 0 0 529.593 3.291 50 0 biogenic KGAARN CC(=O)Oc1cccc(/C=C(\NC(=O)c2ccccc2C)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000020663175 553685869 /nfs/dbraw/zinc/68/58/69/553685869.db2.gz NQRVVEHXSUSJJN-VAAFBKRLSA-N 0 0 511.578 3.499 50 0 biogenic KGAARN CCOC(=O)N1CCC(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000020663382 553685916 /nfs/dbraw/zinc/68/59/16/553685916.db2.gz CMUWAHQAJVJFMY-UHFFFAOYSA-N 0 0 516.645 3.411 50 0 KGAARN CCOC(=O)N1CCN(c2c(C(=O)OC)cnc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc32)CC1 ZINC000020676833 553687454 /nfs/dbraw/zinc/68/74/54/553687454.db2.gz FMMIIGWZJRIVTM-UHFFFAOYSA-N 0 0 518.636 3.253 50 0 KGAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2ccccc2C(F)(F)F)C(=O)CO3)CC1 ZINC000020677170 553687380 /nfs/dbraw/zinc/68/73/80/553687380.db2.gz IGADKHAPDHCULR-UHFFFAOYSA-N 0 0 511.522 3.490 50 0 KGAARN COc1cc(CN(C(=S)NCC(=O)NCc2ccc3c(c2)OCO3)C2CCCC2)cc(OC)c1OC ZINC000020679765 553687975 /nfs/dbraw/zinc/68/79/75/553687975.db2.gz GEJBFQLVMVQBLR-UHFFFAOYSA-N 0 0 515.632 3.377 50 0 KGAARN O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020683208 553688607 /nfs/dbraw/zinc/68/86/07/553688607.db2.gz SPPDXRMJEISHAZ-KAGYGMCKSA-N 0 0 516.623 3.234 50 0 KGAARN O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NC(=S)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000020683213 553688664 /nfs/dbraw/zinc/68/86/64/553688664.db2.gz SPPDXRMJEISHAZ-CBQOVEMMSA-N 0 0 516.623 3.234 50 0 KGAARN COc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCCC4)cc32)cc1 ZINC000020687604 553689682 /nfs/dbraw/zinc/68/96/82/553689682.db2.gz WUUDLCBXKBADEI-UHFFFAOYSA-N 0 0 503.646 3.015 50 0 KGAARN COc1ccccc1CNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000020687627 553689656 /nfs/dbraw/zinc/68/96/56/553689656.db2.gz ZPFMPGNWGOOJDP-UHFFFAOYSA-N 0 0 503.646 3.015 50 0 KGAARN COc1cccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCCC4)cc32)c1 ZINC000020688094 553689703 /nfs/dbraw/zinc/68/97/03/553689703.db2.gz MQQJSFHHJYYZCI-UHFFFAOYSA-N 0 0 503.646 3.015 50 0 KGAARN O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)NCCc1ccc(Cl)cc1 ZINC000020688785 553689670 /nfs/dbraw/zinc/68/96/70/553689670.db2.gz FKYLPEOOHAXIDX-UHFFFAOYSA-N 0 0 508.065 3.312 50 0 KGAARN CCCC(=O)Nc1cc(C(=O)N2CCN(C(=O)OCC)CC2)ccc1S(=O)(=O)c1ccc(C)cc1 ZINC000020723513 553689628 /nfs/dbraw/zinc/68/96/28/553689628.db2.gz RGVASHBFJLENAO-UHFFFAOYSA-N 0 0 501.605 3.481 50 0 KGAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000020727368 553690706 /nfs/dbraw/zinc/69/07/06/553690706.db2.gz SIHUPMFYIHHPKY-UHFFFAOYSA-N 0 0 507.612 3.160 50 0 KGAARN Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(CCCN3CCOCC3)Cc3ccco3)cc2)cc1 ZINC000020728068 553691012 /nfs/dbraw/zinc/69/10/12/553691012.db2.gz WILAHUVJSPHCQL-UHFFFAOYSA-N 0 0 511.644 3.431 50 0 KGAARN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCCN1CCOCC1 ZINC000020728971 553691255 /nfs/dbraw/zinc/69/12/55/553691255.db2.gz KQLFBFXZRGPCDR-RCCKNPSSSA-N 0 0 502.434 3.377 50 0 KGAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000020756193 553695091 /nfs/dbraw/zinc/69/50/91/553695091.db2.gz ZVQLXYGZMAGWFS-LJQANCHMSA-N 0 0 507.660 3.125 50 0 KGAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000020756200 553695153 /nfs/dbraw/zinc/69/51/53/553695153.db2.gz ZVQLXYGZMAGWFS-IBGZPJMESA-N 0 0 507.660 3.125 50 0 KGAARN COc1cc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)cc(OC)c1OC ZINC000020756275 553695268 /nfs/dbraw/zinc/69/52/68/553695268.db2.gz DYXSCPVVPOOVRI-AWEZNQCLSA-N 0 0 514.604 3.446 50 0 KGAARN CCN1CCN(C(=O)c2sc3ncn(CC(=O)Nc4cccc(C(F)(F)F)c4)c(=O)c3c2C)CC1 ZINC000020757467 553695246 /nfs/dbraw/zinc/69/52/46/553695246.db2.gz JVSIQGGWGJTPPI-UHFFFAOYSA-N 0 0 507.538 3.202 50 0 KGAARN COc1ccc(CCNC(=O)c2sc3ncn(CC(=O)N4C[C@H](C)C[C@@H](C)C4)c(=O)c3c2C)cc1OC ZINC000020758042 553695427 /nfs/dbraw/zinc/69/54/27/553695427.db2.gz BBGSVFNWIYUTBC-IAGOWNOFSA-N 0 0 526.659 3.261 50 0 KGAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000020758097 553695432 /nfs/dbraw/zinc/69/54/32/553695432.db2.gz OARHBNDWJLHROZ-WOJBJXKFSA-N 0 0 521.687 3.229 50 0 KGAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12 ZINC000020758102 553695510 /nfs/dbraw/zinc/69/55/10/553695510.db2.gz OARHBNDWJLHROZ-BGYRXZFFSA-N 0 0 521.687 3.229 50 0 KGAARN Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000020758113 553695515 /nfs/dbraw/zinc/69/55/15/553695515.db2.gz OARHBNDWJLHROZ-PMACEKPBSA-N 0 0 521.687 3.229 50 0 KGAARN O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020760286 553695527 /nfs/dbraw/zinc/69/55/27/553695527.db2.gz ZQAOTKSSVLXSQQ-RDGATRHJSA-N 0 0 528.078 3.398 50 0 KGAARN O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020760291 553695419 /nfs/dbraw/zinc/69/54/19/553695419.db2.gz ZQAOTKSSVLXSQQ-RCZVLFRGSA-N 0 0 528.078 3.398 50 0 KGAARN O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020760296 553695490 /nfs/dbraw/zinc/69/54/90/553695490.db2.gz ZQAOTKSSVLXSQQ-DHLKQENFSA-N 0 0 528.078 3.398 50 0 KGAARN O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020760301 553695521 /nfs/dbraw/zinc/69/55/21/553695521.db2.gz ZQAOTKSSVLXSQQ-WIOPSUGQSA-N 0 0 528.078 3.398 50 0 KGAARN COc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000020760795 553695806 /nfs/dbraw/zinc/69/58/06/553695806.db2.gz DQOVDNNUWFTIJS-SFOWLQBLSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000020760801 553695850 /nfs/dbraw/zinc/69/58/50/553695850.db2.gz DQOVDNNUWFTIJS-ZASNTINBSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1cccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000020760806 553695821 /nfs/dbraw/zinc/69/58/21/553695821.db2.gz DQOVDNNUWFTIJS-GBRARVNLSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1cccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c1 ZINC000020760811 553695875 /nfs/dbraw/zinc/69/58/75/553695875.db2.gz DQOVDNNUWFTIJS-ZRIOWSNCSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1cccc(N2CCN(C(=O)c3ccc(CNc4c(=O)c(=O)c4N4CCC(C)CC4)cc3)CC2)c1 ZINC000020760833 553695839 /nfs/dbraw/zinc/69/58/39/553695839.db2.gz XMTJVPNPPZNUJA-UHFFFAOYSA-N 0 0 502.615 3.102 50 0 KGAARN O=C(CNC(=O)c1ncccc1C(=O)NCCc1cc2ccccc2[nH]1)NCCc1cc2ccccc2[nH]1 ZINC000020761173 553695882 /nfs/dbraw/zinc/69/58/82/553695882.db2.gz XQHNCEITVGHMOX-UHFFFAOYSA-N 0 0 508.582 3.105 50 0 biogenic KGAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020762669 553696092 /nfs/dbraw/zinc/69/60/92/553696092.db2.gz TXJYMBKKUNROPH-SFOWLQBLSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020762673 553696099 /nfs/dbraw/zinc/69/60/99/553696099.db2.gz TXJYMBKKUNROPH-ZASNTINBSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020762678 553696069 /nfs/dbraw/zinc/69/60/69/553696069.db2.gz TXJYMBKKUNROPH-GBRARVNLSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000020762683 553696116 /nfs/dbraw/zinc/69/61/16/553696116.db2.gz TXJYMBKKUNROPH-ZRIOWSNCSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020762920 553696181 /nfs/dbraw/zinc/69/61/81/553696181.db2.gz KHTZZYKUGADTOA-SFOWLQBLSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020762925 553696150 /nfs/dbraw/zinc/69/61/50/553696150.db2.gz KHTZZYKUGADTOA-ZASNTINBSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccccc1N1C(=O)[C@H]2[C@@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020762930 553696106 /nfs/dbraw/zinc/69/61/06/553696106.db2.gz KHTZZYKUGADTOA-GBRARVNLSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccccc1N1C(=O)[C@H]2[C@H](C(C)C)N[C@@]3(c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2C1=O ZINC000020762935 553696134 /nfs/dbraw/zinc/69/61/34/553696134.db2.gz KHTZZYKUGADTOA-ZRIOWSNCSA-N 0 0 506.562 3.385 50 0 biogenic KGAARN COc1ccc([C@@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000020766022 553697218 /nfs/dbraw/zinc/69/72/18/553697218.db2.gz HKZRSWLNPLLROG-XMMPIXPASA-N 0 0 528.627 3.490 50 0 biogenic KGAARN COc1ccc([C@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000020766026 553697221 /nfs/dbraw/zinc/69/72/21/553697221.db2.gz HKZRSWLNPLLROG-DEOSSOPVSA-N 0 0 528.627 3.490 50 0 biogenic KGAARN CCOC(=O)N1CCC(NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000020766111 553697174 /nfs/dbraw/zinc/69/71/74/553697174.db2.gz XOVNNCCRFWDIIJ-HSZRJFAPSA-N 0 0 503.621 3.150 50 0 KGAARN CCOC(=O)N1CCC(NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)CC1 ZINC000020766115 553697249 /nfs/dbraw/zinc/69/72/49/553697249.db2.gz XOVNNCCRFWDIIJ-QHCPKHFHSA-N 0 0 503.621 3.150 50 0 KGAARN CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000020766958 553697548 /nfs/dbraw/zinc/69/75/48/553697548.db2.gz QNMINMPDYVMTNX-UHFFFAOYSA-N 0 0 502.457 3.490 50 0 KGAARN CCOc1ccc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1 ZINC000020768809 553698077 /nfs/dbraw/zinc/69/80/77/553698077.db2.gz TWCHVESJDCSWBL-UHFFFAOYSA-N 0 0 512.566 3.471 50 0 KGAARN COc1ccccc1-c1ccc(C(=O)NCCN2CCOCC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000020774394 553698152 /nfs/dbraw/zinc/69/81/52/553698152.db2.gz YDULOKDLHYYXII-UHFFFAOYSA-N 0 0 519.621 3.285 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c1=O ZINC000020780546 553698086 /nfs/dbraw/zinc/69/80/86/553698086.db2.gz YHRQWHMGBNKIIR-UHFFFAOYSA-N 0 0 514.504 3.375 50 0 KGAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)cc1OC ZINC000020783620 1060024014 /nfs/dbraw/zinc/02/40/14/1060024014.db2.gz MTKLYKFXWOAMTG-UHFFFAOYSA-N 0 0 527.643 3.201 50 0 KGAARN COc1ccc(OC)c(S(=O)(=O)N(Cc2cccc(OCCN3CCOCC3)c2)Cc2ccccn2)c1 ZINC000020783664 1060023975 /nfs/dbraw/zinc/02/39/75/1060023975.db2.gz QQWGGDMAAGGQQT-UHFFFAOYSA-N 0 0 527.643 3.201 50 0 KGAARN COc1ccc(-c2noc(N3CCC(C(=O)NN4CCN(c5cccc(Cl)c5)CC4)CC3)n2)cc1OC ZINC000020847901 553699102 /nfs/dbraw/zinc/69/91/02/553699102.db2.gz RDQCFBPYGBGVCP-UHFFFAOYSA-N 0 0 527.025 3.477 50 0 KGAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(CC(C)C)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020848890 553699158 /nfs/dbraw/zinc/69/91/58/553699158.db2.gz FTHIMTSPXXQPFO-HSZRJFAPSA-N 0 0 502.589 3.157 50 0 KGAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(CC(C)C)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000020848893 553699128 /nfs/dbraw/zinc/69/91/28/553699128.db2.gz FTHIMTSPXXQPFO-QHCPKHFHSA-N 0 0 502.589 3.157 50 0 KGAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020848896 553699056 /nfs/dbraw/zinc/69/90/56/553699056.db2.gz NTHXCMYKRYYORZ-JOCHJYFZSA-N 0 0 502.589 3.256 50 0 KGAARN COC(=O)C1=C(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000020848899 553699176 /nfs/dbraw/zinc/69/91/76/553699176.db2.gz NTHXCMYKRYYORZ-QFIPXVFZSA-N 0 0 502.589 3.256 50 0 KGAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000020849069 553699416 /nfs/dbraw/zinc/69/94/16/553699416.db2.gz VTHVIYTUQXINTA-QGZVFWFLSA-N 0 0 515.407 3.164 50 0 KGAARN CCOC(=O)C1=C(CS(=O)(=O)c2ccc(Br)s2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000020849072 553699338 /nfs/dbraw/zinc/69/93/38/553699338.db2.gz VTHVIYTUQXINTA-KRWDZBQOSA-N 0 0 515.407 3.164 50 0 KGAARN CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)cc3)=C2C(=O)OC)cc1 ZINC000020849075 553699385 /nfs/dbraw/zinc/69/93/85/553699385.db2.gz OCDDPDPEPLUUKM-IBGZPJMESA-N 0 0 509.378 3.103 50 0 KGAARN CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)cc3)=C2C(=O)OC)cc1 ZINC000020849078 553699358 /nfs/dbraw/zinc/69/93/58/553699358.db2.gz OCDDPDPEPLUUKM-LJQANCHMSA-N 0 0 509.378 3.103 50 0 KGAARN Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)C(=O)N1 ZINC000020854874 553700241 /nfs/dbraw/zinc/70/02/41/553700241.db2.gz UFIIJXJDIWNHHH-YIXXDRMTSA-N 0 0 520.611 3.385 50 0 KGAARN COc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(C)c3C)[C@@](C)(C(=O)NCc3ccccc3)C2)cc1 ZINC000020864056 553700382 /nfs/dbraw/zinc/70/03/82/553700382.db2.gz ZWLIJIYAFDOUBA-MUUNZHRXSA-N 0 0 521.639 3.425 50 0 KGAARN COc1ccc(S(=O)(=O)N2CC(=O)N(c3cccc(C)c3C)[C@](C)(C(=O)NCc3ccccc3)C2)cc1 ZINC000020864060 553700358 /nfs/dbraw/zinc/70/03/58/553700358.db2.gz ZWLIJIYAFDOUBA-NDEPHWFRSA-N 0 0 521.639 3.425 50 0 KGAARN O=C(c1cccc(Cl)c1)N1CCC(c2nc3c(nnn3Cc3ccc4c(c3)OCCO4)c(=O)[nH]2)CC1 ZINC000020869134 553700768 /nfs/dbraw/zinc/70/07/68/553700768.db2.gz COHFWAQRLDONJS-UHFFFAOYSA-N 0 0 506.950 3.007 50 0 KGAARN Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCN3CCOCC3)s2)cc1 ZINC000020869247 553700726 /nfs/dbraw/zinc/70/07/26/553700726.db2.gz YDWGYJZJNRZORW-UHFFFAOYSA-N 0 0 521.686 3.170 50 0 KGAARN COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1OC ZINC000020900538 553701377 /nfs/dbraw/zinc/70/13/77/553701377.db2.gz SJYLJVQVSQFMNP-UHFFFAOYSA-N 0 0 517.542 3.463 50 0 KGAARN O=S(=O)(c1c(F)cccc1F)N(Cc1cccc(OCCN2CCOCC2)c1)Cc1ccccn1 ZINC000020909664 1060024647 /nfs/dbraw/zinc/02/46/47/1060024647.db2.gz CKOHLCNFKPIACN-UHFFFAOYSA-N 0 0 503.571 3.462 50 0 KGAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O ZINC000020918257 553703858 /nfs/dbraw/zinc/70/38/58/553703858.db2.gz JFMVYSQDLVBEIA-RBTNQOKQSA-N 0 0 507.587 3.377 50 0 KGAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O ZINC000020918266 553703878 /nfs/dbraw/zinc/70/38/78/553703878.db2.gz JFMVYSQDLVBEIA-KMRXNPHXSA-N 0 0 507.587 3.377 50 0 KGAARN COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O ZINC000020918272 553703842 /nfs/dbraw/zinc/70/38/42/553703842.db2.gz JFMVYSQDLVBEIA-LYZGTLIUSA-N 0 0 507.587 3.377 50 0 KGAARN COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC[C@H]1CCCO1)N(Cc1cccc(OC)c1OC)C3=O ZINC000020918278 553703863 /nfs/dbraw/zinc/70/38/63/553703863.db2.gz JFMVYSQDLVBEIA-PIKZIKFNSA-N 0 0 507.587 3.377 50 0 KGAARN O=C(CCc1nc(CN2CCN(C(=O)c3ccccc3Br)CC2)no1)N1CCCCCC1 ZINC000020936705 553704395 /nfs/dbraw/zinc/70/43/95/553704395.db2.gz QHCWEZWZMMBVCB-UHFFFAOYSA-N 0 0 504.429 3.125 50 0 KGAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(CCOc4cccc(CN5CCOCC5)c4)CC3)cc2)n1 ZINC000020995533 1060024823 /nfs/dbraw/zinc/02/48/23/1060024823.db2.gz ZLNJROVDZNCEKO-UHFFFAOYSA-N 0 0 517.674 3.217 50 0 KGAARN CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cc(OC)c(OC)c(OC)c4)CC3)c(C)o2)cc1 ZINC000021021134 553705593 /nfs/dbraw/zinc/70/55/93/553705593.db2.gz AIUQJXDSVMPALO-UHFFFAOYSA-N 0 0 523.590 3.385 50 0 KGAARN O=C([C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021026417 553705856 /nfs/dbraw/zinc/70/58/56/553705856.db2.gz ZYSJPBUPJOCAMZ-MRXNPFEDSA-N 0 0 508.570 3.249 50 0 KGAARN O=C([C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021026427 553705943 /nfs/dbraw/zinc/70/59/43/553705943.db2.gz ZYSJPBUPJOCAMZ-INIZCTEOSA-N 0 0 508.570 3.249 50 0 KGAARN O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)Nc1ccc(Br)cc1F ZINC000021112013 553706623 /nfs/dbraw/zinc/70/66/23/553706623.db2.gz RDBLQQLIPMPHCB-UHFFFAOYSA-N 0 0 510.385 3.194 50 0 KGAARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(Br)c1 ZINC000021112089 553706662 /nfs/dbraw/zinc/70/66/62/553706662.db2.gz XEIAAJWWTGNQTQ-UHFFFAOYSA-N 0 0 506.422 3.364 50 0 KGAARN Cc1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1Br ZINC000021112130 553706657 /nfs/dbraw/zinc/70/66/57/553706657.db2.gz DLWZRPQYHJNCQX-UHFFFAOYSA-N 0 0 506.422 3.364 50 0 KGAARN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1OC ZINC000021114146 553706753 /nfs/dbraw/zinc/70/67/53/553706753.db2.gz FETARVWLYYMKRU-LJQANCHMSA-N 0 0 501.605 3.042 50 0 KGAARN COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C2)cc1OC ZINC000021114151 553706802 /nfs/dbraw/zinc/70/68/02/553706802.db2.gz FETARVWLYYMKRU-IBGZPJMESA-N 0 0 501.605 3.042 50 0 KGAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(N(C)C)c2)C1 ZINC000021116571 553707091 /nfs/dbraw/zinc/70/70/91/553707091.db2.gz NJJYHASQXFNRED-LJQANCHMSA-N 0 0 504.653 3.232 50 0 KGAARN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C)c(N(C)C)c2)C1 ZINC000021116577 553707035 /nfs/dbraw/zinc/70/70/35/553707035.db2.gz NJJYHASQXFNRED-IBGZPJMESA-N 0 0 504.653 3.232 50 0 KGAARN COc1ccc(NC(=O)CS[C@@H]2NN=C(CCC(=O)N3CCCC3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000021161633 553708358 /nfs/dbraw/zinc/70/83/58/553708358.db2.gz ZFWNLJRQJKNPJW-AREMUKBSSA-N 0 0 525.631 3.054 50 0 KGAARN COc1ccc(NC(=O)CS[C@H]2NN=C(CCC(=O)N3CCCC3)C(=O)N2c2ccccc2)c(OC)c1 ZINC000021161638 553708315 /nfs/dbraw/zinc/70/83/15/553708315.db2.gz ZFWNLJRQJKNPJW-SANMLTNESA-N 0 0 525.631 3.054 50 0 KGAARN 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COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(C)n(C)n3)CC2)c2cccc(OC)c2)cc1 ZINC000023434944 553776845 /nfs/dbraw/zinc/77/68/45/553776845.db2.gz BHFFTKOWDXCNQO-AREMUKBSSA-N 0 0 506.603 3.240 50 0 KGAARN COC(=O)c1ccc(CO[C@@H](CN2CCN(C(=O)c3cc(C)nn3C)CC2)c2cccc(OC)c2)cc1 ZINC000023435654 553776731 /nfs/dbraw/zinc/77/67/31/553776731.db2.gz OTTLLQWVZSLEEA-SANMLTNESA-N 0 0 506.603 3.240 50 0 KGAARN COC(=O)c1ccc(CO[C@H](CN2CCN(C(=O)c3cc(C)nn3C)CC2)c2cccc(OC)c2)cc1 ZINC000023435657 553776777 /nfs/dbraw/zinc/77/67/77/553776777.db2.gz OTTLLQWVZSLEEA-AREMUKBSSA-N 0 0 506.603 3.240 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000023437774 553777417 /nfs/dbraw/zinc/77/74/17/553777417.db2.gz NNDVUMGDZBMXEN-UHFFFAOYSA-N 0 0 507.978 3.426 50 0 KGAARN COc1ccc(CCNC(=O)N2CCN(c3ncccc3NC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000023437980 553777390 /nfs/dbraw/zinc/77/73/90/553777390.db2.gz FUZLPPDHYSHMRP-UHFFFAOYSA-N 0 0 503.559 3.146 50 0 KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1OC ZINC000023438303 553777398 /nfs/dbraw/zinc/77/73/98/553777398.db2.gz SPTBSUJIMBUUEF-UHFFFAOYSA-N 0 0 521.593 3.242 50 0 KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)NCc3ccccc3F)CC2)cc1OC ZINC000023439133 553777726 /nfs/dbraw/zinc/77/77/26/553777726.db2.gz PXXVWQUHKRYJLS-UHFFFAOYSA-N 0 0 521.593 3.242 50 0 KGAARN O=C(COc1cccc(Cl)c1)N1CCN(c2ncccc2C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000023439598 553777981 /nfs/dbraw/zinc/77/79/81/553777981.db2.gz PFHJHEANKOSYTK-UHFFFAOYSA-N 0 0 508.962 3.121 50 0 KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccccc3OC)CC2)cc1OC ZINC000023441575 553778728 /nfs/dbraw/zinc/77/87/28/553778728.db2.gz GZDXOBCQIUEFLJ-UHFFFAOYSA-N 0 0 504.587 3.042 50 0 KGAARN COc1cccc(CNC(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000023443039 553779458 /nfs/dbraw/zinc/77/94/58/553779458.db2.gz UKMMVPUFEWHJEI-UHFFFAOYSA-N 0 0 533.629 3.112 50 0 biogenic KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1OC ZINC000023443420 553779413 /nfs/dbraw/zinc/77/94/13/553779413.db2.gz UBKJDFZCEGECNN-UHFFFAOYSA-N 0 0 510.541 3.312 50 0 biogenic KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)cc1OC ZINC000023444286 553779667 /nfs/dbraw/zinc/77/96/67/553779667.db2.gz NSYFZCXNYBNXEL-UHFFFAOYSA-N 0 0 517.630 3.100 50 0 biogenic KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cccc(F)c3F)CC2)cc1OC ZINC000023444838 553779607 /nfs/dbraw/zinc/77/96/07/553779607.db2.gz IWQLOSUUZVYYHX-UHFFFAOYSA-N 0 0 510.541 3.312 50 0 KGAARN O=C(c1cncc(Br)c1)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000023445359 553779987 /nfs/dbraw/zinc/77/99/87/553779987.db2.gz LLODRVQONOMBKV-UHFFFAOYSA-N 0 0 509.408 3.100 50 0 KGAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000023446165 553780288 /nfs/dbraw/zinc/78/02/88/553780288.db2.gz OENQURQXFCRJEO-UHFFFAOYSA-N 0 0 511.619 3.247 50 0 KGAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000023446683 553780618 /nfs/dbraw/zinc/78/06/18/553780618.db2.gz GXSVHRDTDUAOJC-UHFFFAOYSA-N 0 0 507.656 3.450 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000023447025 553780822 /nfs/dbraw/zinc/78/08/22/553780822.db2.gz LFNAASXLUCNYKE-UHFFFAOYSA-N 0 0 510.497 3.304 50 0 KGAARN COc1ccc(C(=O)N2CCN(c3ncccc3C(=O)NCCc3ccc(OC)c(OC)c3)CC2)cc1F ZINC000023447425 553780904 /nfs/dbraw/zinc/78/09/04/553780904.db2.gz SHTAXDNAMISROX-UHFFFAOYSA-N 0 0 522.577 3.181 50 0 KGAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)COc2ccccc2)CC1 ZINC000023448295 553781348 /nfs/dbraw/zinc/78/13/48/553781348.db2.gz RNEQUNMEWMOXMS-UHFFFAOYSA-N 0 0 527.618 3.083 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCCC(=O)OC)CC3)cc2)n(-c2ccccn2)n1 ZINC000023449012 553781415 /nfs/dbraw/zinc/78/14/15/553781415.db2.gz FWAIFRILGFMGCJ-UHFFFAOYSA-N 0 0 505.575 3.103 50 0 KGAARN COc1ccc(S(=O)(=O)N(C)CCc2ccccc2)cc1N1CCN(C(=O)COc2ccccc2)CC1 ZINC000023449070 553781356 /nfs/dbraw/zinc/78/13/56/553781356.db2.gz PWHNHXYJEBXHFS-UHFFFAOYSA-N 0 0 523.655 3.286 50 0 KGAARN CCOC(=O)CCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3ccccn3)cc2)CC1 ZINC000023449675 553781685 /nfs/dbraw/zinc/78/16/85/553781685.db2.gz PQSJFEXXYUCVHO-UHFFFAOYSA-N 0 0 505.575 3.103 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c(OC)c1 ZINC000023450088 553781846 /nfs/dbraw/zinc/78/18/46/553781846.db2.gz HBHASTZEHAHIAF-UHFFFAOYSA-N 0 0 500.552 3.001 50 0 KGAARN COc1ccc(CCNC(=O)c2cccnc2N2CCN(C(=O)c3cc(C)nn3C(C)(C)C)CC2)cc1OC ZINC000023450231 553781937 /nfs/dbraw/zinc/78/19/37/553781937.db2.gz UFWQKUJIAFFNLC-UHFFFAOYSA-N 0 0 534.661 3.294 50 0 KGAARN O=C(C1=NNC(=O)CC1)N1CCN(Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000023450777 553782281 /nfs/dbraw/zinc/78/22/81/553782281.db2.gz FZWIALIGMOQWLR-UHFFFAOYSA-N 0 0 512.492 3.333 50 0 KGAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c1 ZINC000023450845 553782221 /nfs/dbraw/zinc/78/22/21/553782221.db2.gz SBYDLSUWODNLCN-UHFFFAOYSA-N 0 0 500.552 3.001 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCCCC(=O)OC)CC3)cc2)n(-c2ccccn2)n1 ZINC000023451297 553782236 /nfs/dbraw/zinc/78/22/36/553782236.db2.gz BSDQOLLINNHADM-UHFFFAOYSA-N 0 0 519.602 3.493 50 0 KGAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000023451523 553782514 /nfs/dbraw/zinc/78/25/14/553782514.db2.gz ODEDXXSQKPNPBU-UHFFFAOYSA-N 0 0 515.582 3.457 50 0 KGAARN CCOC(=O)CCCC(=O)N1CCN(c2ccc(-c3cc(C(=O)OCC)nn3-c3ccccn3)cc2)CC1 ZINC000023451587 553782430 /nfs/dbraw/zinc/78/24/30/553782430.db2.gz XLIQPCNPHRFRJM-UHFFFAOYSA-N 0 0 519.602 3.493 50 0 KGAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)c2ccccc2F)CC1 ZINC000023451847 553782524 /nfs/dbraw/zinc/78/25/24/553782524.db2.gz KIMDZPSQRDQWFH-UHFFFAOYSA-N 0 0 515.582 3.457 50 0 KGAARN O=C(COc1c(F)c(F)c(F)c(F)c1F)N1CCN(c2nccc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000023451933 553782511 /nfs/dbraw/zinc/78/25/11/553782511.db2.gz FNYUYVMXPBMURH-UHFFFAOYSA-N 0 0 508.403 3.295 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1N1CCN(C(=O)c2ccno2)CC1 ZINC000023452017 553782530 /nfs/dbraw/zinc/78/25/30/553782530.db2.gz DZYUTTHSZIRWRO-UHFFFAOYSA-N 0 0 524.643 3.289 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccc(F)cc2)n1 ZINC000023452039 553782439 /nfs/dbraw/zinc/78/24/39/553782439.db2.gz PICVJXOMLGYBGL-UHFFFAOYSA-N 0 0 508.550 3.457 50 0 KGAARN COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1N1CCN(C(=O)Cc2cccs2)CC1 ZINC000023452100 553782465 /nfs/dbraw/zinc/78/24/65/553782465.db2.gz OJGIOPSCTYTBCO-UHFFFAOYSA-N 0 0 517.648 3.308 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)C(C)(C)OC(C)=O)CC3)cc2)n(-c2ccccn2)n1 ZINC000023452381 553782507 /nfs/dbraw/zinc/78/25/07/553782507.db2.gz BKFKMGRHIVJKRF-UHFFFAOYSA-N 0 0 505.575 3.101 50 0 KGAARN O=C(c1c(F)c(F)cc(F)c1F)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000023452390 553782501 /nfs/dbraw/zinc/78/25/01/553782501.db2.gz KYNKVFDXYJTNGI-UHFFFAOYSA-N 0 0 501.484 3.499 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2cccc(F)c2)n1 ZINC000023452824 553782777 /nfs/dbraw/zinc/78/27/77/553782777.db2.gz QKULLQFZKVBTJB-UHFFFAOYSA-N 0 0 508.550 3.457 50 0 KGAARN O=S(=O)(c1cccc(Cl)c1)N1CCN(c2nccc(-c3ccc(N4CCOCC4)cc3)n2)CC1 ZINC000023453897 553782977 /nfs/dbraw/zinc/78/29/77/553782977.db2.gz AJBDKHZMJUHNEC-UHFFFAOYSA-N 0 0 500.024 3.145 50 0 KGAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)Cc4ccccc4)CC3)c2)cc1 ZINC000023455058 553783546 /nfs/dbraw/zinc/78/35/46/553783546.db2.gz UDZPGMVWUUJIPX-UHFFFAOYSA-N 0 0 509.628 3.420 50 0 KGAARN CCCc1ccc(S(=O)(=O)N2CCN(c3nccc(-c4ccc(N5CCOCC5)cc4)n3)CC2)cc1 ZINC000023455284 553783753 /nfs/dbraw/zinc/78/37/53/553783753.db2.gz SUFMIFNQTNTLEO-UHFFFAOYSA-N 0 0 507.660 3.444 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccc(OC)cc2)n1 ZINC000023455899 553783801 /nfs/dbraw/zinc/78/38/01/553783801.db2.gz GJNJDTRTVIVSMR-UHFFFAOYSA-N 0 0 520.586 3.326 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)COc2ccccc2)CC1 ZINC000023456401 553784123 /nfs/dbraw/zinc/78/41/23/553784123.db2.gz HCFSSVBRLKBGQF-UHFFFAOYSA-N 0 0 521.639 3.170 50 0 KGAARN COc1ccc(CNC(=O)c2cccnc2N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000023456490 553784110 /nfs/dbraw/zinc/78/41/10/553784110.db2.gz HIKINWZFIUMHJU-UHFFFAOYSA-N 0 0 507.037 3.246 50 0 KGAARN CCOC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2cc(NC(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000023456961 553784381 /nfs/dbraw/zinc/78/43/81/553784381.db2.gz DCEUOKPVRGWZJR-UHFFFAOYSA-N 0 0 515.925 3.291 50 0 KGAARN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)COc4ccccc4)CC3)c2)cc1 ZINC000023457348 553784449 /nfs/dbraw/zinc/78/44/49/553784449.db2.gz OMEVJFQGWPRKCN-UHFFFAOYSA-N 0 0 525.627 3.257 50 0 KGAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000023457754 553784688 /nfs/dbraw/zinc/78/46/88/553784688.db2.gz RIFGXUNEXIXRMO-UHFFFAOYSA-N 0 0 508.575 3.412 50 0 KGAARN O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1)n2CCCN1CCOCC1)N1CCOCC1 ZINC000023458079 553784633 /nfs/dbraw/zinc/78/46/33/553784633.db2.gz DDIBGGPSPQFWRJ-UHFFFAOYSA-N 0 0 516.689 3.072 50 0 KGAARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)CCC(=O)OC)CC3)cc2)n(-c2ccccc2OC)n1 ZINC000023458209 553784624 /nfs/dbraw/zinc/78/46/24/553784624.db2.gz MEKHVFXIBTYDFC-UHFFFAOYSA-N 0 0 520.586 3.326 50 0 KGAARN CCOC(=O)c1nc2ccccc2nc1N1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000023458335 553784640 /nfs/dbraw/zinc/78/46/40/553784640.db2.gz JTCIONRPVNRJEY-UHFFFAOYSA-N 0 0 519.421 3.470 50 0 KGAARN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc1 ZINC000023459026 553785014 /nfs/dbraw/zinc/78/50/14/553785014.db2.gz WOEJDBOHAQRTKW-UHFFFAOYSA-N 0 0 526.615 3.261 50 0 KGAARN Cc1cc(C)c(S(=O)(=O)N2CCN(c3nccc(-c4ccc(N5CCOCC5)cc4)n3)CC2)c(C)c1 ZINC000023459124 553785176 /nfs/dbraw/zinc/78/51/76/553785176.db2.gz SBGGSNYSTRCIRH-UHFFFAOYSA-N 0 0 507.660 3.416 50 0 KGAARN 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N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)OC1CCCC1)C(=O)OC1CCCC1 ZINC000027081457 553825187 /nfs/dbraw/zinc/82/51/87/553825187.db2.gz QIFSPGPRHFNZNN-GOTSBHOMSA-N 0 0 612.587 3.362 50 0 KGAARN COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c1OCO2 ZINC000027527589 553830579 /nfs/dbraw/zinc/83/05/79/553830579.db2.gz IXUGOONUQLYOHS-FTGWKWNSSA-N 0 0 513.550 3.002 50 0 biogenic KGAARN O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000027527837 553830913 /nfs/dbraw/zinc/83/09/13/553830913.db2.gz MXWOMWDEEBKEOL-GJZGRUSLSA-N 0 0 502.335 3.368 50 0 KGAARN O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000027527838 553830957 /nfs/dbraw/zinc/83/09/57/553830957.db2.gz MXWOMWDEEBKEOL-LSDHHAIUSA-N 0 0 502.335 3.368 50 0 KGAARN O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000027527839 553830955 /nfs/dbraw/zinc/83/09/55/553830955.db2.gz MXWOMWDEEBKEOL-CABCVRRESA-N 0 0 502.335 3.368 50 0 KGAARN O=C(NCCN1CCOCC1)c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000027527840 553830974 /nfs/dbraw/zinc/83/09/74/553830974.db2.gz MXWOMWDEEBKEOL-HUUCEWRRSA-N 0 0 502.335 3.368 50 0 KGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000027528305 553831331 /nfs/dbraw/zinc/83/13/31/553831331.db2.gz OIRQGNVZEGESKR-RUZDIDTESA-N 0 0 522.623 3.413 50 0 KGAARN COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000027528306 553831309 /nfs/dbraw/zinc/83/13/09/553831309.db2.gz OIRQGNVZEGESKR-VWLOTQADSA-N 0 0 522.623 3.413 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000027530763 553831566 /nfs/dbraw/zinc/83/15/66/553831566.db2.gz QYBRVULKBOOGQR-RUZDIDTESA-N 0 0 509.628 3.058 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000027530764 553831592 /nfs/dbraw/zinc/83/15/92/553831592.db2.gz QYBRVULKBOOGQR-VWLOTQADSA-N 0 0 509.628 3.058 50 0 KGAARN CC(=O)c1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c2c1C ZINC000027795883 553836359 /nfs/dbraw/zinc/83/63/59/553836359.db2.gz HUBMIYZDUNXJKU-UHFFFAOYSA-N 0 0 508.647 3.303 50 0 KGAARN C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)c5cccnc5)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000028862157 553843873 /nfs/dbraw/zinc/84/38/73/553843873.db2.gz KZDOGGYMASNQGM-SBQWKNPYSA-N 0 0 509.599 3.158 50 0 biogenic KGAARN O=C(C1CCN(S(=O)(=O)c2cccc3nsnc32)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029747302 553846790 /nfs/dbraw/zinc/84/67/90/553846790.db2.gz RYQQSPCEXPJZDL-UHFFFAOYSA-N 0 0 539.605 3.460 50 0 KGAARN COC(=O)C1=CN(CCN2C=C(C(=O)OC)C(c3cccc(OC)c3)C(C(=O)OC)=C2)C=C(C(=O)OC)C1c1cccc(OC)c1 ZINC000029747409 553847339 /nfs/dbraw/zinc/84/73/39/553847339.db2.gz QARRAWQITWYRJI-UHFFFAOYSA-N 0 0 632.666 3.430 50 0 KGAARN CCOC(=O)C[C@@H](NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)c1ccc(OC)cc1 ZINC000029747418 553847349 /nfs/dbraw/zinc/84/73/49/553847349.db2.gz 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/nfs/dbraw/zinc/84/85/14/553848514.db2.gz PMFZESFCGSFNDS-BUZMGHMJSA-N 0 0 538.578 3.434 50 0 KGAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000029747813 553848890 /nfs/dbraw/zinc/84/88/90/553848890.db2.gz NOQRHJRECBOIJJ-IECPXTFPSA-N 0 0 627.675 3.364 50 0 KGAARN CCCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000029747814 553848889 /nfs/dbraw/zinc/84/88/89/553848889.db2.gz NOQRHJRECBOIJJ-UYUFHXMSSA-N 0 0 627.675 3.364 50 0 KGAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)c3ccccc32)cc1 ZINC000029747980 553849165 /nfs/dbraw/zinc/84/91/65/553849165.db2.gz FLYGXFYHXFTYKD-UHFFFAOYSA-N 0 0 547.637 3.495 50 0 KGAARN COc1cc(OC)cc(-n2nc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)c1 ZINC000029748094 553849559 /nfs/dbraw/zinc/84/95/59/553849559.db2.gz QKYAPUMMUUAZKO-UHFFFAOYSA-N 0 0 528.565 3.090 50 0 KGAARN COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC[C@@H]2CCCO2)OCO4)cc1OC ZINC000029748878 553850506 /nfs/dbraw/zinc/85/05/06/553850506.db2.gz HGVBQRBYMZEPHX-QFIPXVFZSA-N 0 0 640.759 3.449 50 0 KGAARN COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC[C@H]2CCCO2)OCO4)cc1OC ZINC000029748882 553850387 /nfs/dbraw/zinc/85/03/87/553850387.db2.gz HGVBQRBYMZEPHX-JOCHJYFZSA-N 0 0 640.759 3.449 50 0 KGAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000029748928 553850424 /nfs/dbraw/zinc/85/04/24/553850424.db2.gz VUCIVRTVIMTGFG-UHFFFAOYSA-N 0 0 556.616 3.040 50 0 KGAARN O=C([O-])CC[C@@H]1[NH2+][C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000029749036 553850824 /nfs/dbraw/zinc/85/08/24/553850824.db2.gz HKAUWMMVQGDEAJ-GYMZGOSFSA-N 0 0 527.552 3.206 50 0 KGAARN O=C(C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000029749134 553850989 /nfs/dbraw/zinc/85/09/89/553850989.db2.gz ZTYSBKOQJVEEDB-VWLOTQADSA-N 0 0 610.696 3.162 50 0 KGAARN O=C(C[C@H]1N=C2c3ccccc3N=C(SCC(=O)N3CCN(c4ccccc4)CC3)N2C1=O)NCc1ccc2c(c1)OCO2 ZINC000029749139 553851036 /nfs/dbraw/zinc/85/10/36/553851036.db2.gz ZTYSBKOQJVEEDB-RUZDIDTESA-N 0 0 610.696 3.162 50 0 KGAARN COC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(O)n1 ZINC000029749729 553852535 /nfs/dbraw/zinc/85/25/35/553852535.db2.gz ZTZGHIHYVPDDFA-UHFFFAOYSA-N 0 0 538.401 3.295 50 0 KGAARN COc1ccc(CN2CCN(C(=O)c3cnc4ccc(S(=O)(=O)Nc5ccccc5F)cc4c3O)CC2)c(OC)c1OC ZINC000029749785 553852900 /nfs/dbraw/zinc/85/29/00/553852900.db2.gz ULOVZOWAFOKHTF-UHFFFAOYSA-N 0 0 610.664 3.452 50 0 KGAARN COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(Br)cc3F)c2=O)cc1OC ZINC000029749874 553852920 /nfs/dbraw/zinc/85/29/20/553852920.db2.gz RRNMDLLKXMEWLI-UHFFFAOYSA-N 0 0 627.467 3.470 50 0 KGAARN CCCN(CCC)C(=O)Cn1c2ccccc2c(=O)n(CCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000029749904 553852831 /nfs/dbraw/zinc/85/28/31/553852831.db2.gz BJGRNVPDMCFLGZ-UHFFFAOYSA-N 0 0 536.629 3.027 50 0 KGAARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)cc1OC ZINC000029749925 553853193 /nfs/dbraw/zinc/85/31/93/553853193.db2.gz ZOCOCUIGYIFPGT-UHFFFAOYSA-N 0 0 597.672 3.074 50 0 KGAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1Br ZINC000029750005 553853208 /nfs/dbraw/zinc/85/32/08/553853208.db2.gz HEOSNZDUSGPFAW-KQWNVCNZSA-N 0 0 550.413 3.363 50 0 KGAARN Cc1cccc2nc(Cn3c4cc(C(=O)NC5CCCCC5)ccc4c(=O)n(Cc4ccc5c(c4)OCO5)c3=O)cc(=O)n12 ZINC000029752505 553853379 /nfs/dbraw/zinc/85/33/79/553853379.db2.gz KVNUCROTVGHRTI-UHFFFAOYSA-N 0 0 593.640 3.367 50 0 KGAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(Cc2ccc3c(c2)OCO3)c1=O)Nc1ccc2c(c1)OCCO2 ZINC000029752521 553853747 /nfs/dbraw/zinc/85/37/47/553853747.db2.gz AXAJSQRNMPDLJZ-UHFFFAOYSA-N 0 0 527.489 3.096 50 0 KGAARN Cc1sc2ncn(CC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000029752612 553854050 /nfs/dbraw/zinc/85/40/50/553854050.db2.gz BQXJTEOEHNJMCO-UHFFFAOYSA-N 0 0 617.713 3.498 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752882 553854697 /nfs/dbraw/zinc/85/46/97/553854697.db2.gz RSRGZCAMSZPUBW-IZZNHLLZSA-N 0 0 540.613 3.433 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752884 553854844 /nfs/dbraw/zinc/85/48/44/553854844.db2.gz RSRGZCAMSZPUBW-CLJLJLNGSA-N 0 0 540.613 3.433 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752886 553854698 /nfs/dbraw/zinc/85/46/98/553854698.db2.gz RSRGZCAMSZPUBW-UIOOFZCWSA-N 0 0 540.613 3.433 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N(C)[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC000029752888 553854829 /nfs/dbraw/zinc/85/48/29/553854829.db2.gz RSRGZCAMSZPUBW-FTJBHMTQSA-N 0 0 540.613 3.433 50 0 KGAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(=O)NCCc2ccccc2)cc1 ZINC000029752989 553855131 /nfs/dbraw/zinc/85/51/31/553855131.db2.gz LDUGZPAUDFPIIV-UHFFFAOYSA-N 0 0 641.841 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3.108 50 0 biogenic KGAARN COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c(OC)c1 ZINC000032109989 553863552 /nfs/dbraw/zinc/86/35/52/553863552.db2.gz RCJNHDMHVRQLQY-UHFFFAOYSA-N 0 0 506.558 3.077 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000032189097 553866988 /nfs/dbraw/zinc/86/69/88/553866988.db2.gz ABLFNUXKRXJKBS-AQIZGWBQSA-N 0 0 517.607 3.307 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000032189099 553866962 /nfs/dbraw/zinc/86/69/62/553866962.db2.gz ABLFNUXKRXJKBS-ZDGAQAAHSA-N 0 0 517.607 3.307 50 0 KGAARN NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000032578449 553869341 /nfs/dbraw/zinc/86/93/41/553869341.db2.gz KOWXSSKXABAXNX-UHFFFAOYSA-N 0 0 502.643 3.284 50 0 KGAARN COc1ccccc1CNC(=O)c1cnccc1C(=O)N[C@H](C(=O)NCc1ccccc1OC)C(C)C ZINC000032646463 553872153 /nfs/dbraw/zinc/87/21/53/553872153.db2.gz HYCAJRVWUFMSRF-VWLOTQADSA-N 0 0 504.587 3.100 50 0 KGAARN 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O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000032876722 553875599 /nfs/dbraw/zinc/87/55/99/553875599.db2.gz BBZBJOKTOIGDEU-UHFFFAOYSA-N 0 0 524.998 3.494 50 0 KGAARN CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000032910327 553875887 /nfs/dbraw/zinc/87/58/87/553875887.db2.gz XKDVJLYLSGDYQI-UHFFFAOYSA-N 0 0 502.589 3.323 50 0 KGAARN COc1ccc2oc(C(=O)OCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c(C)c2c1 ZINC000032910479 553875854 /nfs/dbraw/zinc/87/58/54/553875854.db2.gz VGFJFOTVXFVDKF-UHFFFAOYSA-N 0 0 500.573 3.057 50 0 KGAARN CCCOc1ccc(C(=O)CCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000032910517 553875914 /nfs/dbraw/zinc/87/59/14/553875914.db2.gz WGWGEABQHGPZHL-UHFFFAOYSA-N 0 0 530.643 3.131 50 0 KGAARN CCCCNc1nnc(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 ZINC000032910553 553875880 /nfs/dbraw/zinc/87/58/80/553875880.db2.gz SBRAAZCSKFNTJG-UHFFFAOYSA-N 0 0 506.075 3.155 50 0 KGAARN 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CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c(OC(C)=O)c1 ZINC000033355849 553937565 /nfs/dbraw/zinc/93/75/65/553937565.db2.gz ZXMOMKSVGSQKJM-JOCHJYFZSA-N 0 0 532.347 3.219 50 0 KGAARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(Br)cc3)O2)c(OC(C)=O)c1 ZINC000033355850 553937600 /nfs/dbraw/zinc/93/76/00/553937600.db2.gz ZXMOMKSVGSQKJM-QFIPXVFZSA-N 0 0 532.347 3.219 50 0 KGAARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@@H](CN(C(C)=O)c3ccc(I)cc3C)O2)c(OC(C)=O)c1 ZINC000033355851 553937606 /nfs/dbraw/zinc/93/76/06/553937606.db2.gz YINBFJLMVVYZOY-HSZRJFAPSA-N 0 0 593.374 3.370 50 0 KGAARN CC(=O)Oc1ccc(C2=NN(C(C)=O)[C@H](CN(C(C)=O)c3ccc(I)cc3C)O2)c(OC(C)=O)c1 ZINC000033355852 553937570 /nfs/dbraw/zinc/93/75/70/553937570.db2.gz YINBFJLMVVYZOY-QHCPKHFHSA-N 0 0 593.374 3.370 50 0 KGAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000033355885 553937947 /nfs/dbraw/zinc/93/79/47/553937947.db2.gz JAHLEFLXXJYBAR-UHFFFAOYSA-N 0 0 541.718 3.329 50 0 KGAARN 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Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1 ZINC000033356162 553939869 /nfs/dbraw/zinc/93/98/69/553939869.db2.gz AEXHEXORZBEOTR-UHFFFAOYSA-N 0 0 531.642 3.070 50 0 KGAARN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2Cl)N3)CC1 ZINC000033356258 553940124 /nfs/dbraw/zinc/94/01/24/553940124.db2.gz OYELDHWEZMUSNC-QFIPXVFZSA-N 0 0 534.034 3.103 50 0 KGAARN CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccccc2Cl)N3)CC1 ZINC000033356260 553940170 /nfs/dbraw/zinc/94/01/70/553940170.db2.gz OYELDHWEZMUSNC-JOCHJYFZSA-N 0 0 534.034 3.103 50 0 KGAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1Cl)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356265 553940148 /nfs/dbraw/zinc/94/01/48/553940148.db2.gz LTLRTCFBJUKQDX-VWLOTQADSA-N 0 0 597.093 3.374 50 0 KGAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1Cl)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033356266 553940113 /nfs/dbraw/zinc/94/01/13/553940113.db2.gz LTLRTCFBJUKQDX-RUZDIDTESA-N 0 0 597.093 3.374 50 0 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CC(=O)c1ccc(N2CCN(C(=O)[C@H](NS(=O)(=O)c3cccc4nsnc43)c3ccccc3)CC2)cc1 ZINC000033356364 553940969 /nfs/dbraw/zinc/94/09/69/553940969.db2.gz FOCMMDFNKKDTRX-XMMPIXPASA-N 0 0 535.651 3.262 50 0 KGAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2cc(C(=O)NC3CCCC3)ccc2c(=O)n(Cc2ccco2)c1=O ZINC000033356372 553940924 /nfs/dbraw/zinc/94/09/24/553940924.db2.gz PGBDICFPVCNDGP-UHFFFAOYSA-N 0 0 558.591 3.292 50 0 KGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3c2=O)C1 ZINC000033356392 553941131 /nfs/dbraw/zinc/94/11/31/553941131.db2.gz CRXBFQJFZLUMTO-JOCHJYFZSA-N 0 0 551.665 3.184 50 0 KGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3c2=O)C1 ZINC000033356393 553941111 /nfs/dbraw/zinc/94/11/11/553941111.db2.gz CRXBFQJFZLUMTO-QFIPXVFZSA-N 0 0 551.665 3.184 50 0 KGAARN CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000033356394 553941014 /nfs/dbraw/zinc/94/10/14/553941014.db2.gz GTLFGADHEFXBSZ-UHFFFAOYSA-N 0 0 545.617 3.427 50 0 KGAARN CCN1CCN(c2nc(Oc3ccc(OC)cc3)c3c(c2Cl)S(=O)(=O)CCN3C[C@@H]2CCCO2)CC1 ZINC000033356502 553942074 /nfs/dbraw/zinc/94/20/74/553942074.db2.gz ZYMCYGABLAERPS-FQEVSTJZSA-N 0 0 537.082 3.451 50 0 KGAARN CCN1CCN(c2nc(Oc3ccc(OC)cc3)c3c(c2Cl)S(=O)(=O)CCN3C[C@H]2CCCO2)CC1 ZINC000033356504 553942095 /nfs/dbraw/zinc/94/20/95/553942095.db2.gz ZYMCYGABLAERPS-HXUWFJFHSA-N 0 0 537.082 3.451 50 0 KGAARN CCOC(=O)N1CCN(c2nc(F)c3c(c2F)S(=O)(=O)CCN3Cc2cccc(Br)c2)CC1 ZINC000033356509 553942085 /nfs/dbraw/zinc/94/20/85/553942085.db2.gz UFFCJPGZGNWLCS-UHFFFAOYSA-N 0 0 545.406 3.195 50 0 KGAARN CCOC(=O)CSc1nc2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc2c(=O)n1Cc1ccccc1 ZINC000033356539 553942360 /nfs/dbraw/zinc/94/23/60/553942360.db2.gz PIUJJMHLPLUDLL-UHFFFAOYSA-N 0 0 538.626 3.014 50 0 KGAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)N2CCN(c4cccc(C(F)(F)F)c4)CC2)C(=O)CO3)CC1 ZINC000033356568 553942486 /nfs/dbraw/zinc/94/24/86/553942486.db2.gz YSLPWVCFJBZLSO-UHFFFAOYSA-N 0 0 580.629 3.200 50 0 KGAARN COc1ccc(CCNC(=O)C[C@H](C(=O)NCCc2ccc(OC)cc2OC)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000033356605 553942879 /nfs/dbraw/zinc/94/28/79/553942879.db2.gz RGBCVIOZKWATGJ-IEWVHIKDSA-N 0 0 610.704 3.496 50 0 biogenic KGAARN COc1ccc(CCNC(=O)C[C@@H](C(=O)NCCc2ccc(OC)cc2OC)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000033356606 553942841 /nfs/dbraw/zinc/94/28/41/553942841.db2.gz RGBCVIOZKWATGJ-DICHSLLOSA-N 0 0 610.704 3.496 50 0 biogenic KGAARN O=C(CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1-c1ccc(F)cc1)Nc1nccs1 ZINC000033356607 553942794 /nfs/dbraw/zinc/94/27/94/553942794.db2.gz NUAZSBUNDZQUAR-UHFFFAOYSA-N 0 0 601.711 3.308 50 0 KGAARN COc1ccc(CCNC(=O)C[C@H](C(=O)NCCc2ccc(OC)cc2OC)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000033356608 553942873 /nfs/dbraw/zinc/94/28/73/553942873.db2.gz RGBCVIOZKWATGJ-XYFQYJLHSA-N 0 0 610.704 3.496 50 0 biogenic KGAARN COc1ccc(CCNC(=O)C[C@@H](C(=O)NCCc2ccc(OC)cc2OC)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000033356609 553942827 /nfs/dbraw/zinc/94/28/27/553942827.db2.gz RGBCVIOZKWATGJ-HVIPQOSHSA-N 0 0 610.704 3.496 50 0 biogenic KGAARN NC(=O)C1(N2CCCCC2)CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)CC1 ZINC000033356660 553943342 /nfs/dbraw/zinc/94/33/42/553943342.db2.gz UJAGUWUUTWQNPB-UHFFFAOYSA-N 0 0 554.076 3.074 50 0 KGAARN O=C(c1ccco1)N1CCN(c2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccc(Cl)cc32)CC1 ZINC000033356661 553943388 /nfs/dbraw/zinc/94/33/88/553943388.db2.gz DJZBPKAFBZURFW-UHFFFAOYSA-N 0 0 522.974 3.319 50 0 KGAARN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000033356662 553943414 /nfs/dbraw/zinc/94/34/14/553943414.db2.gz GBXRIONXERFQKT-SANMLTNESA-N 0 0 695.849 3.306 50 0 KGAARN COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nnc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1 ZINC000033356664 553943376 /nfs/dbraw/zinc/94/33/76/553943376.db2.gz GBXRIONXERFQKT-AREMUKBSSA-N 0 0 695.849 3.306 50 0 KGAARN O=S(=O)(c1nnn2c1nc(N1CCC3(CC1)OCCO3)c1ccccc12)c1ccc(Br)cc1 ZINC000033356667 553943352 /nfs/dbraw/zinc/94/33/52/553943352.db2.gz UOBHUOKRXRLIEW-UHFFFAOYSA-N 0 0 530.404 3.216 50 0 KGAARN CC(=O)N1CCc2c(sc3c2c(=O)n(-c2ccc(F)cc2)c(=O)n3CC(=O)N2CCCc3ccccc32)C1 ZINC000033356674 553943451 /nfs/dbraw/zinc/94/34/51/553943451.db2.gz YSERLESFUQSBBB-UHFFFAOYSA-N 0 0 532.597 3.237 50 0 KGAARN CC(=O)c1cccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCCC3=CCCCC3)c2=O)CN(C(C)=O)CC4)c1 ZINC000033356675 553943348 /nfs/dbraw/zinc/94/33/48/553943348.db2.gz SWNPBMJBEQHUES-UHFFFAOYSA-N 0 0 548.665 3.328 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@@H]4CCCC[C@@H]4F)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356731 553943869 /nfs/dbraw/zinc/94/38/69/553943869.db2.gz VADJBCBPQMIIBO-XZOQPEGZSA-N 0 0 556.038 3.202 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@H]4CCCC[C@@H]4F)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356733 553943934 /nfs/dbraw/zinc/94/39/34/553943934.db2.gz VADJBCBPQMIIBO-GOTSBHOMSA-N 0 0 556.038 3.202 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@@H]4CCCC[C@H]4F)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356735 553943877 /nfs/dbraw/zinc/94/38/77/553943877.db2.gz VADJBCBPQMIIBO-DHIUTWEWSA-N 0 0 556.038 3.202 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN([C@H]4CCCC[C@H]4F)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356737 553943900 /nfs/dbraw/zinc/94/39/00/553943900.db2.gz VADJBCBPQMIIBO-PKTZIBPZSA-N 0 0 556.038 3.202 50 0 KGAARN COc1ccc2nc(NC(=O)Cn3cnc4ccc(S(=O)(=O)N5CCC(C)CC5)cc4c3=O)sc2c1 ZINC000033356793 553944536 /nfs/dbraw/zinc/94/45/36/553944536.db2.gz IJZHWYRXDVQXLP-UHFFFAOYSA-N 0 0 527.628 3.074 50 0 KGAARN Cc1nn(C)cc1[C@H](C(=O)NC1CCCCC1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000033356872 553945138 /nfs/dbraw/zinc/94/51/38/553945138.db2.gz MDEMMYCIEKPEPM-AREMUKBSSA-N 0 0 549.653 3.096 50 0 KGAARN Cc1nn(C)cc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000033356874 553945086 /nfs/dbraw/zinc/94/50/86/553945086.db2.gz MDEMMYCIEKPEPM-SANMLTNESA-N 0 0 549.653 3.096 50 0 KGAARN COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000033356921 553945730 /nfs/dbraw/zinc/94/57/30/553945730.db2.gz KSJKHNJEQMBFBV-WNCULLNHSA-N 0 0 581.622 3.049 50 0 KGAARN COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000033356924 553945683 /nfs/dbraw/zinc/94/56/83/553945683.db2.gz KSJKHNJEQMBFBV-HOFKKMOUSA-N 0 0 581.622 3.049 50 0 KGAARN COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000033356928 553945710 /nfs/dbraw/zinc/94/57/10/553945710.db2.gz KSJKHNJEQMBFBV-YIXXDRMTSA-N 0 0 581.622 3.049 50 0 KGAARN COc1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(F)cc2)cc1 ZINC000033356931 553945702 /nfs/dbraw/zinc/94/57/02/553945702.db2.gz KSJKHNJEQMBFBV-KCWPFWIISA-N 0 0 581.622 3.049 50 0 KGAARN CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)Nc2ccc(I)cc2)C(=O)CO3)CC1 ZINC000033357068 553946511 /nfs/dbraw/zinc/94/65/11/553946511.db2.gz RYBFRECFGRSDHV-UHFFFAOYSA-N 0 0 569.421 3.076 50 0 KGAARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCN(c2ccccn2)CC1 ZINC000033357124 553946855 /nfs/dbraw/zinc/94/68/55/553946855.db2.gz GCWIOKQIEUXJHJ-RSXGOPAZSA-N 0 0 668.776 3.401 50 0 KGAARN O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(F)cc2)c1)N1CCC2(CC1)OCCO2 ZINC000033357129 553946801 /nfs/dbraw/zinc/94/68/01/553946801.db2.gz SSMZFOYOJSSIHB-GGAORHGYSA-N 0 0 608.692 3.391 50 0 KGAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC4=CCCCC4)c(=O)c32)CC1 ZINC000033357182 553947071 /nfs/dbraw/zinc/94/70/71/553947071.db2.gz DBRDFRFOYKHNNT-UHFFFAOYSA-N 0 0 585.752 3.293 50 0 KGAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4cnc5ccccc5c4)c(=O)c32)CC1 ZINC000033357186 553947054 /nfs/dbraw/zinc/94/70/54/553947054.db2.gz TVTOTKWEFSBKBV-UHFFFAOYSA-N 0 0 604.714 3.473 50 0 KGAARN CCOC(=O)N1CCN(C(=O)c2cccc(NC(=O)C(=O)c3cc(Br)ccc3NC(C)=O)c2)CC1 ZINC000033357190 553947141 /nfs/dbraw/zinc/94/71/41/553947141.db2.gz UPGUIYACZXKMRT-UHFFFAOYSA-N 0 0 545.390 3.143 50 0 KGAARN COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000033357353 553947738 /nfs/dbraw/zinc/94/77/38/553947738.db2.gz FVWLWIUSOIHBPO-WUFINQPMSA-N 0 0 546.624 3.375 50 0 KGAARN COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000033357355 553947830 /nfs/dbraw/zinc/94/78/30/553947830.db2.gz FVWLWIUSOIHBPO-NSOVKSMOSA-N 0 0 546.624 3.375 50 0 KGAARN COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000033357358 553947781 /nfs/dbraw/zinc/94/77/81/553947781.db2.gz FVWLWIUSOIHBPO-VSGBNLITSA-N 0 0 546.624 3.375 50 0 KGAARN COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccccn4)CC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000033357361 553947824 /nfs/dbraw/zinc/94/78/24/553947824.db2.gz FVWLWIUSOIHBPO-IZLXSDGUSA-N 0 0 546.624 3.375 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000033357388 553948083 /nfs/dbraw/zinc/94/80/83/553948083.db2.gz NSZICWGFGXHNII-HXUWFJFHSA-N 0 0 561.458 3.093 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000033357390 553948103 /nfs/dbraw/zinc/94/81/03/553948103.db2.gz NSZICWGFGXHNII-FQEVSTJZSA-N 0 0 561.458 3.093 50 0 KGAARN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000033357392 553947982 /nfs/dbraw/zinc/94/79/82/553947982.db2.gz YXRNXMROUPXKPB-HXUWFJFHSA-N 0 0 533.448 3.315 50 0 KGAARN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCNC(C)=O)C2=S)cc1 ZINC000033357394 553948044 /nfs/dbraw/zinc/94/80/44/553948044.db2.gz YXRNXMROUPXKPB-FQEVSTJZSA-N 0 0 533.448 3.315 50 0 KGAARN COc1ccc(CN2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c(OC)c1OC ZINC000033357427 553948013 /nfs/dbraw/zinc/94/80/13/553948013.db2.gz RVFZPKUUOVCYKU-JOCHJYFZSA-N 0 0 559.710 3.008 50 0 KGAARN COc1ccc(CN2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3cccs3)CC2)c(OC)c1OC ZINC000033357429 553948022 /nfs/dbraw/zinc/94/80/22/553948022.db2.gz RVFZPKUUOVCYKU-QFIPXVFZSA-N 0 0 559.710 3.008 50 0 KGAARN COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3cc(=O)n4cc(Cl)ccc4n3)c2=O)cc1 ZINC000033357494 553948666 /nfs/dbraw/zinc/94/86/66/553948666.db2.gz PKILIBGIHIWEGF-UHFFFAOYSA-N 0 0 552.012 3.362 50 0 KGAARN COc1cc(OC)c(NC(=O)c2sc3ncn(CC(=O)N4CCN(c5ccccn5)CC4)c(=O)c3c2C)cc1Cl ZINC000033357544 553948889 /nfs/dbraw/zinc/94/88/89/553948889.db2.gz AGQVXICNAFRYTC-UHFFFAOYSA-N 0 0 583.070 3.433 50 0 KGAARN CCc1ccc(S(=O)(=O)c2nnn3c4ccsc4c(N4CCN(C(=O)c5ccco5)CC4)nc23)cc1 ZINC000033357547 553948982 /nfs/dbraw/zinc/94/89/82/553948982.db2.gz PGLRZZPNRRBDDT-UHFFFAOYSA-N 0 0 522.612 3.290 50 0 KGAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NCc1ccccc1 ZINC000033357746 553950694 /nfs/dbraw/zinc/95/06/94/553950694.db2.gz MYYNVFQLIMNSIA-UHFFFAOYSA-N 0 0 559.417 3.472 50 0 KGAARN O=C(CCn1c(=O)c2sccc2n(CC(=O)c2ccc(Br)cc2)c1=O)NCc1ccc2c(c1)OCO2 ZINC000033357747 553950663 /nfs/dbraw/zinc/95/06/63/553950663.db2.gz STWMJIYFXUDOSA-UHFFFAOYSA-N 0 0 570.421 3.305 50 0 KGAARN Cc1cccc2nc(Cn3c4ccsc4c(=O)n(CCCCCC(=O)NCc4ccc5c(c4)OCO5)c3=O)cc(=O)n12 ZINC000033357753 553950717 /nfs/dbraw/zinc/95/07/17/553950717.db2.gz CFYKNGKANYZCBE-UHFFFAOYSA-N 0 0 587.658 3.195 50 0 KGAARN CCOC(=O)c1cc(CSc2nc3cc(C(=O)OC)ccc3c(=O)n2CCc2ccc(S(N)(=O)=O)cc2)c2c(c1)COCO2 ZINC000033357806 553951069 /nfs/dbraw/zinc/95/10/69/553951069.db2.gz LNQBXQQCZSDCMI-UHFFFAOYSA-N 0 0 639.708 3.409 50 0 KGAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)CC1 ZINC000033357813 553951072 /nfs/dbraw/zinc/95/10/72/553951072.db2.gz GQGRRWILSLTBPQ-UHFFFAOYSA-N 0 0 529.622 3.230 50 0 KGAARN O=C(CSc1nc2ccccc2c(=O)n1CCn1c(=O)c2ccccc2nc1SCC(=O)N1CCCC1)N1CCCC1 ZINC000033357816 553951079 /nfs/dbraw/zinc/95/10/79/553951079.db2.gz QKSPBBJXJZALQE-UHFFFAOYSA-N 0 0 604.758 3.236 50 0 KGAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3ccccc3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1OC ZINC000033357820 553951178 /nfs/dbraw/zinc/95/11/78/553951178.db2.gz DGFCFBNMUMHPNR-UHFFFAOYSA-N 0 0 564.668 3.315 50 0 KGAARN O=C(CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccccc1Cl)NCCCN1CCOCC1 ZINC000033357835 553951075 /nfs/dbraw/zinc/95/10/75/553951075.db2.gz YFVJTGPJPKAXJL-UHFFFAOYSA-N 0 0 558.104 3.399 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000033357862 553951413 /nfs/dbraw/zinc/95/14/13/553951413.db2.gz HXPAMPHMYVLTQM-QHCPKHFHSA-N 0 0 568.671 3.142 50 0 KGAARN O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000033357863 553951448 /nfs/dbraw/zinc/95/14/48/553951448.db2.gz HXPAMPHMYVLTQM-HSZRJFAPSA-N 0 0 568.671 3.142 50 0 KGAARN NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CC2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000033357869 553951394 /nfs/dbraw/zinc/95/13/94/553951394.db2.gz KAFBOYVVERDHGR-UHFFFAOYSA-N 0 0 637.784 3.211 50 0 KGAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)NCc1cccnc1 ZINC000033357876 553951617 /nfs/dbraw/zinc/95/16/17/553951617.db2.gz NHSMKIFEQUIMMZ-AREMUKBSSA-N 0 0 603.657 3.143 50 0 KGAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)NCc1ccc2c(c1)OCO2)OCO3)C(=O)NCc1cccnc1 ZINC000033357877 553951613 /nfs/dbraw/zinc/95/16/13/553951613.db2.gz NHSMKIFEQUIMMZ-SANMLTNESA-N 0 0 603.657 3.143 50 0 KGAARN CC[C@@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)C(=O)NCc1cccnc1 ZINC000033357883 553951610 /nfs/dbraw/zinc/95/16/10/553951610.db2.gz GBXGQWFXELDYJA-MUUNZHRXSA-N 0 0 614.728 3.446 50 0 KGAARN CC[C@H](Sc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)C(=O)NCc1cccnc1 ZINC000033357884 553951635 /nfs/dbraw/zinc/95/16/35/553951635.db2.gz GBXGQWFXELDYJA-NDEPHWFRSA-N 0 0 614.728 3.446 50 0 KGAARN COc1cc2nc(SCc3cc(=O)n4cc(Br)ccc4n3)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2cc1OC ZINC000033357898 553951651 /nfs/dbraw/zinc/95/16/51/553951651.db2.gz CRLORQDGKRWFOK-UHFFFAOYSA-N 0 0 658.556 3.367 50 0 KGAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000033357960 553952199 /nfs/dbraw/zinc/95/21/99/553952199.db2.gz AVKYBGRZGBCNIP-UHFFFAOYSA-N 0 0 645.188 3.198 50 0 KGAARN NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(=O)c3sccc3nc2SCC(=O)c2ccc(F)cc2)cc1 ZINC000033357962 553952252 /nfs/dbraw/zinc/95/22/52/553952252.db2.gz WZDXQPDRHARJNI-UHFFFAOYSA-N 0 0 588.708 3.359 50 0 KGAARN COC(=O)c1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000033358008 553952814 /nfs/dbraw/zinc/95/28/14/553952814.db2.gz PABUYLCZBXKLDQ-MHZLTWQESA-N 0 0 610.685 3.330 50 0 KGAARN COC(=O)c1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000033358009 553952833 /nfs/dbraw/zinc/95/28/33/553952833.db2.gz PABUYLCZBXKLDQ-HHHXNRCGSA-N 0 0 610.685 3.330 50 0 KGAARN CCOC(=O)C(NC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(Br)o2)c1)C(=O)OCC ZINC000033358131 553953074 /nfs/dbraw/zinc/95/30/74/553953074.db2.gz VRVFJQBJBWYMKI-MJGOQNOKSA-N 0 0 655.502 3.304 50 0 KGAARN CCOC(=O)N1CCC(NC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)c3cccnc3)c2)CC1 ZINC000033358151 553953416 /nfs/dbraw/zinc/95/34/16/553953416.db2.gz 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COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000035962947 554111270 /nfs/dbraw/zinc/11/12/70/554111270.db2.gz CJZOVMFUQKPITB-MHZLTWQESA-N 0 0 522.621 3.473 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000035962950 554111268 /nfs/dbraw/zinc/11/12/68/554111268.db2.gz CJZOVMFUQKPITB-HHHXNRCGSA-N 0 0 522.621 3.473 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@H](c3ccccc3OC)C2)c1 ZINC000035963001 554111284 /nfs/dbraw/zinc/11/12/84/554111284.db2.gz FQGOAXYHCSWAJR-SANMLTNESA-N 0 0 522.646 3.198 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C(C)C)[C@@H](c3ccccc3OC)C2)c1 ZINC000035963003 554111290 /nfs/dbraw/zinc/11/12/90/554111290.db2.gz FQGOAXYHCSWAJR-AREMUKBSSA-N 0 0 522.646 3.198 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3OC)C2)c1 ZINC000035963005 554111280 /nfs/dbraw/zinc/11/12/80/554111280.db2.gz LHZQSKXWCHICLO-MHZLTWQESA-N 0 0 534.657 3.342 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3OC)C2)c1 ZINC000035963008 554111313 /nfs/dbraw/zinc/11/13/13/554111313.db2.gz LHZQSKXWCHICLO-HHHXNRCGSA-N 0 0 534.657 3.342 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@H](c3ccccc3)C2)c1 ZINC000035963032 554111305 /nfs/dbraw/zinc/11/13/05/554111305.db2.gz MVIMFQAXXXXSPC-MHZLTWQESA-N 0 0 504.631 3.334 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CCC3)[C@@H](c3ccccc3)C2)c1 ZINC000035963035 554111299 /nfs/dbraw/zinc/11/12/99/554111299.db2.gz MVIMFQAXXXXSPC-HHHXNRCGSA-N 0 0 504.631 3.334 50 0 KGAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(C)cc1 ZINC000035963156 554111267 /nfs/dbraw/zinc/11/12/67/554111267.db2.gz DRMMMUPTCLBOHB-SANMLTNESA-N 0 0 507.635 3.045 50 0 KGAARN CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(C)cc1 ZINC000035963158 554111292 /nfs/dbraw/zinc/11/12/92/554111292.db2.gz DRMMMUPTCLBOHB-AREMUKBSSA-N 0 0 507.635 3.045 50 0 KGAARN 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CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000035963176 554111509 /nfs/dbraw/zinc/11/15/09/554111509.db2.gz GZCHUINBPXQIRU-HHHXNRCGSA-N 0 0 537.661 3.135 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccccc3F)C2)c1 ZINC000035963177 554111490 /nfs/dbraw/zinc/11/14/90/554111490.db2.gz GJKLNRWBZRHIOD-SANMLTNESA-N 0 0 525.625 3.264 50 0 KGAARN COc1cccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccccc3F)C2)c1 ZINC000035963179 554111513 /nfs/dbraw/zinc/11/15/13/554111513.db2.gz GJKLNRWBZRHIOD-AREMUKBSSA-N 0 0 525.625 3.264 50 0 KGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccccc1F ZINC000035963181 554111528 /nfs/dbraw/zinc/11/15/28/554111528.db2.gz MSBDEPANAOUBGI-SANMLTNESA-N 0 0 525.625 3.266 50 0 KGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1F ZINC000035963182 554111495 /nfs/dbraw/zinc/11/14/95/554111495.db2.gz MSBDEPANAOUBGI-AREMUKBSSA-N 0 0 525.625 3.266 50 0 KGAARN 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/nfs/dbraw/zinc/11/95/28/554119528.db2.gz YPYWCXYVFAMCNF-PKTZIBPZSA-N 0 0 512.006 3.109 50 0 KGAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccccc1 ZINC000035986788 554119562 /nfs/dbraw/zinc/11/95/62/554119562.db2.gz YPYWCXYVFAMCNF-DHIUTWEWSA-N 0 0 512.006 3.109 50 0 KGAARN COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986809 554119545 /nfs/dbraw/zinc/11/95/45/554119545.db2.gz PMXBSQIBAYRAKY-NRFANRHFSA-N 0 0 520.413 3.230 50 0 KGAARN COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986810 554119536 /nfs/dbraw/zinc/11/95/36/554119536.db2.gz PMXBSQIBAYRAKY-OAQYLSRUSA-N 0 0 520.413 3.230 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)c1 ZINC000035986819 554119718 /nfs/dbraw/zinc/11/97/18/554119718.db2.gz YOHHEBPTEIFOKV-DEOSSOPVSA-N 0 0 503.555 3.078 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)c1 ZINC000035986820 554119637 /nfs/dbraw/zinc/11/96/37/554119637.db2.gz YOHHEBPTEIFOKV-XMMPIXPASA-N 0 0 503.555 3.078 50 0 KGAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986851 554119657 /nfs/dbraw/zinc/11/96/57/554119657.db2.gz FHBNQYJJYPUODJ-GOTSBHOMSA-N 0 0 512.006 3.109 50 0 KGAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986852 554119729 /nfs/dbraw/zinc/11/97/29/554119729.db2.gz FHBNQYJJYPUODJ-XZOQPEGZSA-N 0 0 512.006 3.109 50 0 KGAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986853 554119688 /nfs/dbraw/zinc/11/96/88/554119688.db2.gz FHBNQYJJYPUODJ-PKTZIBPZSA-N 0 0 512.006 3.109 50 0 KGAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3cccc(Cl)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986854 554119677 /nfs/dbraw/zinc/11/96/77/554119677.db2.gz FHBNQYJJYPUODJ-DHIUTWEWSA-N 0 0 512.006 3.109 50 0 KGAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986893 554119915 /nfs/dbraw/zinc/11/99/15/554119915.db2.gz ITAVORZTVXDHTL-KNQAVFIVSA-N 0 0 509.603 3.092 50 0 KGAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986894 554119958 /nfs/dbraw/zinc/11/99/58/554119958.db2.gz ITAVORZTVXDHTL-UGKGYDQZSA-N 0 0 509.603 3.092 50 0 KGAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986895 554119962 /nfs/dbraw/zinc/11/99/62/554119962.db2.gz ITAVORZTVXDHTL-DENIHFKCSA-N 0 0 509.603 3.092 50 0 KGAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1 ZINC000035986896 554119899 /nfs/dbraw/zinc/11/98/99/554119899.db2.gz ITAVORZTVXDHTL-SIKLNZKXSA-N 0 0 509.603 3.092 50 0 KGAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986911 554119924 /nfs/dbraw/zinc/11/99/24/554119924.db2.gz OKHBHCJGJFZDSR-DEOSSOPVSA-N 0 0 520.536 3.150 50 0 KGAARN O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccccc1 ZINC000035986912 554119875 /nfs/dbraw/zinc/11/98/75/554119875.db2.gz OKHBHCJGJFZDSR-XMMPIXPASA-N 0 0 520.536 3.150 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986931 554119956 /nfs/dbraw/zinc/11/99/56/554119956.db2.gz OTQCSAQIADWKJW-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986932 554119888 /nfs/dbraw/zinc/11/98/88/554119888.db2.gz OTQCSAQIADWKJW-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986941 554119948 /nfs/dbraw/zinc/11/99/48/554119948.db2.gz ONWHMOSGYCSDOX-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986942 554119938 /nfs/dbraw/zinc/11/99/38/554119938.db2.gz ONWHMOSGYCSDOX-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986943 554119954 /nfs/dbraw/zinc/11/99/54/554119954.db2.gz MJKNOMQEOUNXSB-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035986944 554119951 /nfs/dbraw/zinc/11/99/51/554119951.db2.gz MJKNOMQEOUNXSB-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986961 554120027 /nfs/dbraw/zinc/12/00/27/554120027.db2.gz DBKVUVURPJQBTD-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)cc1 ZINC000035986962 554120089 /nfs/dbraw/zinc/12/00/89/554120089.db2.gz DBKVUVURPJQBTD-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)CC(C)C)CC3)c1 ZINC000035986973 554120104 /nfs/dbraw/zinc/12/01/04/554120104.db2.gz PBFZTQRWVNHJLJ-QHCPKHFHSA-N 0 0 521.614 3.246 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)CC(C)C)CC3)c1 ZINC000035986974 554120115 /nfs/dbraw/zinc/12/01/15/554120115.db2.gz PBFZTQRWVNHJLJ-HSZRJFAPSA-N 0 0 521.614 3.246 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2cccc(C)c2)CC1 ZINC000035987013 554120077 /nfs/dbraw/zinc/12/00/77/554120077.db2.gz WVAPNXOIMWKNRE-DEOSSOPVSA-N 0 0 541.689 3.393 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@H]2COC3(CCN(C(=O)CC(C)(C)C)CC3)N2C(=O)c2cccc(C)c2)CC1 ZINC000035987014 554120121 /nfs/dbraw/zinc/12/01/21/554120121.db2.gz WVAPNXOIMWKNRE-XMMPIXPASA-N 0 0 541.689 3.393 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035987023 554120097 /nfs/dbraw/zinc/12/00/97/554120097.db2.gz CAYBFZTZWFEKMQ-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035987024 554120038 /nfs/dbraw/zinc/12/00/38/554120038.db2.gz CAYBFZTZWFEKMQ-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987033 554120093 /nfs/dbraw/zinc/12/00/93/554120093.db2.gz DIOBMVOSHZSJDU-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987034 554120036 /nfs/dbraw/zinc/12/00/36/554120036.db2.gz DIOBMVOSHZSJDU-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987045 554120044 /nfs/dbraw/zinc/12/00/44/554120044.db2.gz XMCLEXHNBPUMFL-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987046 554120070 /nfs/dbraw/zinc/12/00/70/554120070.db2.gz XMCLEXHNBPUMFL-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987047 554120326 /nfs/dbraw/zinc/12/03/26/554120326.db2.gz AWYQXQHAVUHGQY-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035987048 554120399 /nfs/dbraw/zinc/12/03/99/554120399.db2.gz AWYQXQHAVUHGQY-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987057 554120375 /nfs/dbraw/zinc/12/03/75/554120375.db2.gz AZDXOYDOSPJSLR-SANMLTNESA-N 0 0 512.610 3.109 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987058 554120405 /nfs/dbraw/zinc/12/04/05/554120405.db2.gz AZDXOYDOSPJSLR-AREMUKBSSA-N 0 0 512.610 3.109 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987067 554120351 /nfs/dbraw/zinc/12/03/51/554120351.db2.gz RXSZEOYZCLTRII-SANMLTNESA-N 0 0 512.610 3.109 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)Cc2ccccc2)CC3)c1 ZINC000035987068 554120381 /nfs/dbraw/zinc/12/03/81/554120381.db2.gz RXSZEOYZCLTRII-AREMUKBSSA-N 0 0 512.610 3.109 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000035987081 554120363 /nfs/dbraw/zinc/12/03/63/554120363.db2.gz NEYSOANUUYRRAW-ZCYQVOJMSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000035987082 554120343 /nfs/dbraw/zinc/12/03/43/554120343.db2.gz NEYSOANUUYRRAW-UKILVPOCSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000035987083 554120318 /nfs/dbraw/zinc/12/03/18/554120318.db2.gz NEYSOANUUYRRAW-NOZRDPDXSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2C)CC3)c1 ZINC000035987084 554120366 /nfs/dbraw/zinc/12/03/66/554120366.db2.gz NEYSOANUUYRRAW-ILBGXUMGSA-N 0 0 505.615 3.072 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccncc2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987091 554120338 /nfs/dbraw/zinc/12/03/38/554120338.db2.gz XDYWEMYKFMUJIE-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccncc2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987092 554120340 /nfs/dbraw/zinc/12/03/40/554120340.db2.gz XDYWEMYKFMUJIE-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987095 554120393 /nfs/dbraw/zinc/12/03/93/554120393.db2.gz SMCZJAFKRIDYDI-VWLOTQADSA-N 0 0 517.582 3.387 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987096 554120342 /nfs/dbraw/zinc/12/03/42/554120342.db2.gz SMCZJAFKRIDYDI-RUZDIDTESA-N 0 0 517.582 3.387 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987101 554120506 /nfs/dbraw/zinc/12/05/06/554120506.db2.gz BDDSCNMIFRQCES-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987102 554120548 /nfs/dbraw/zinc/12/05/48/554120548.db2.gz BDDSCNMIFRQCES-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987103 554120533 /nfs/dbraw/zinc/12/05/33/554120533.db2.gz HLGHVMDTLVHUOY-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2cccc(C)c2)c1 ZINC000035987104 554120500 /nfs/dbraw/zinc/12/05/00/554120500.db2.gz HLGHVMDTLVHUOY-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987145 554120558 /nfs/dbraw/zinc/12/05/58/554120558.db2.gz ZONAZICLIODKAW-SANMLTNESA-N 0 0 512.610 3.488 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987146 554120492 /nfs/dbraw/zinc/12/04/92/554120492.db2.gz ZONAZICLIODKAW-AREMUKBSSA-N 0 0 512.610 3.488 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987147 554120568 /nfs/dbraw/zinc/12/05/68/554120568.db2.gz RWFGIVPQBQOZQY-SANMLTNESA-N 0 0 512.610 3.488 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987148 554120580 /nfs/dbraw/zinc/12/05/80/554120580.db2.gz RWFGIVPQBQOZQY-AREMUKBSSA-N 0 0 512.610 3.488 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987151 554120498 /nfs/dbraw/zinc/12/04/98/554120498.db2.gz MGDLPTSXPYGJRH-DQEYMECFSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987152 554120544 /nfs/dbraw/zinc/12/05/44/554120544.db2.gz MGDLPTSXPYGJRH-LOSJGSFVSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987153 554120489 /nfs/dbraw/zinc/12/04/89/554120489.db2.gz MGDLPTSXPYGJRH-RPBOFIJWSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(C)c2)CC3)c1 ZINC000035987154 554120587 /nfs/dbraw/zinc/12/05/87/554120587.db2.gz MGDLPTSXPYGJRH-JWQCQUIFSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987167 554120565 /nfs/dbraw/zinc/12/05/65/554120565.db2.gz DVZPSGSHEIWEEJ-URXFXBBRSA-N 0 0 527.568 3.042 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987168 554120578 /nfs/dbraw/zinc/12/05/78/554120578.db2.gz DVZPSGSHEIWEEJ-XUZZJYLKSA-N 0 0 527.568 3.042 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987169 554120826 /nfs/dbraw/zinc/12/08/26/554120826.db2.gz DVZPSGSHEIWEEJ-QPPBQGQZSA-N 0 0 527.568 3.042 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000035987170 554120882 /nfs/dbraw/zinc/12/08/82/554120882.db2.gz DVZPSGSHEIWEEJ-ZJSXRUAMSA-N 0 0 527.568 3.042 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccncc2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987315 554120862 /nfs/dbraw/zinc/12/08/62/554120862.db2.gz UWMNAQHZIIMDHP-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccncc2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987316 554120852 /nfs/dbraw/zinc/12/08/52/554120852.db2.gz UWMNAQHZIIMDHP-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987331 554120848 /nfs/dbraw/zinc/12/08/48/554120848.db2.gz LPZZWVGVZVZPLN-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035987332 554120829 /nfs/dbraw/zinc/12/08/29/554120829.db2.gz LPZZWVGVZVZPLN-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987425 554121007 /nfs/dbraw/zinc/12/10/07/554121007.db2.gz KPOSTHLACPEYNF-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987426 554121038 /nfs/dbraw/zinc/12/10/38/554121038.db2.gz KPOSTHLACPEYNF-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2cccnc2)COC12CCN(C(=O)c1ccccc1F)CC2 ZINC000035987427 554121053 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/nfs/dbraw/zinc/12/13/60/554121360.db2.gz KORGVTVDQGNDEJ-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000035987465 554121282 /nfs/dbraw/zinc/12/12/82/554121282.db2.gz KDHNFSJEYLWJGC-UPVQGACJSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000035987466 554121348 /nfs/dbraw/zinc/12/13/48/554121348.db2.gz KDHNFSJEYLWJGC-LADGPHEKSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000035987467 554121318 /nfs/dbraw/zinc/12/13/18/554121318.db2.gz KDHNFSJEYLWJGC-VWNXMTODSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000035987468 554121311 /nfs/dbraw/zinc/12/13/11/554121311.db2.gz KDHNFSJEYLWJGC-ISKFKSNPSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035987538 554121336 /nfs/dbraw/zinc/12/13/36/554121336.db2.gz UJCNDYUJTPXETA-SANMLTNESA-N 0 0 512.610 3.488 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000035987539 554121324 /nfs/dbraw/zinc/12/13/24/554121324.db2.gz UJCNDYUJTPXETA-AREMUKBSSA-N 0 0 512.610 3.488 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000035987588 554121463 /nfs/dbraw/zinc/12/14/63/554121463.db2.gz XOOYCGDFPXUZOL-UPVQGACJSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000035987589 554121500 /nfs/dbraw/zinc/12/15/00/554121500.db2.gz XOOYCGDFPXUZOL-LADGPHEKSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000035987590 554121470 /nfs/dbraw/zinc/12/14/70/554121470.db2.gz XOOYCGDFPXUZOL-VWNXMTODSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NC[C@H]2CCCO2)COC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000035987591 554121508 /nfs/dbraw/zinc/12/15/08/554121508.db2.gz XOOYCGDFPXUZOL-ISKFKSNPSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccco2)COC12CCN(C(=O)Cc1cccs1)CC2 ZINC000035987594 554121526 /nfs/dbraw/zinc/12/15/26/554121526.db2.gz VKXBVPUDOGJISY-QHCPKHFHSA-N 0 0 507.612 3.368 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccco2)COC12CCN(C(=O)Cc1cccs1)CC2 ZINC000035987595 554121569 /nfs/dbraw/zinc/12/15/69/554121569.db2.gz VKXBVPUDOGJISY-HSZRJFAPSA-N 0 0 507.612 3.368 50 0 KGAARN Cc1ccccc1C(=O)N1[C@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)Cc1cccs1)CC2 ZINC000035987604 554121511 /nfs/dbraw/zinc/12/15/11/554121511.db2.gz YDRHKZIIHPHLKJ-DEOSSOPVSA-N 0 0 518.639 3.170 50 0 KGAARN Cc1ccccc1C(=O)N1[C@@H](C(=O)NCc2ccccn2)COC12CCN(C(=O)Cc1cccs1)CC2 ZINC000035987605 554121538 /nfs/dbraw/zinc/12/15/38/554121538.db2.gz YDRHKZIIHPHLKJ-XMMPIXPASA-N 0 0 518.639 3.170 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000035987666 554121865 /nfs/dbraw/zinc/12/18/65/554121865.db2.gz IEPZXCDMUUJPDF-QFIPXVFZSA-N 0 0 504.612 3.241 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000035987667 554121803 /nfs/dbraw/zinc/12/18/03/554121803.db2.gz IEPZXCDMUUJPDF-JOCHJYFZSA-N 0 0 504.612 3.241 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000035987668 554121768 /nfs/dbraw/zinc/12/17/68/554121768.db2.gz FOHMJCZXHNXGFE-QFIPXVFZSA-N 0 0 504.612 3.241 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccs2)CC3)cc1 ZINC000035987669 554121799 /nfs/dbraw/zinc/12/17/99/554121799.db2.gz FOHMJCZXHNXGFE-JOCHJYFZSA-N 0 0 504.612 3.241 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000035987678 554121835 /nfs/dbraw/zinc/12/18/35/554121835.db2.gz JYFBGLQNNDLGHS-URXFXBBRSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000035987679 554121873 /nfs/dbraw/zinc/12/18/73/554121873.db2.gz JYFBGLQNNDLGHS-XUZZJYLKSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000035987680 554121825 /nfs/dbraw/zinc/12/18/25/554121825.db2.gz JYFBGLQNNDLGHS-QPPBQGQZSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccccc2Cl)CC3)cc1 ZINC000035987681 554121788 /nfs/dbraw/zinc/12/17/88/554121788.db2.gz JYFBGLQNNDLGHS-ZJSXRUAMSA-N 0 0 526.033 3.417 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987690 554121860 /nfs/dbraw/zinc/12/18/60/554121860.db2.gz KWMDBZVMRRUHBJ-VWLOTQADSA-N 0 0 517.582 3.387 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987691 554121746 /nfs/dbraw/zinc/12/17/46/554121746.db2.gz KWMDBZVMRRUHBJ-RUZDIDTESA-N 0 0 517.582 3.387 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987698 554121795 /nfs/dbraw/zinc/12/17/95/554121795.db2.gz MMTLRSQTKCYZCF-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(C)cc2)cc1 ZINC000035987699 554121808 /nfs/dbraw/zinc/12/18/08/554121808.db2.gz MMTLRSQTKCYZCF-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987724 554121751 /nfs/dbraw/zinc/12/17/51/554121751.db2.gz CYCFPWLUMIICML-SANMLTNESA-N 0 0 512.610 3.488 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987725 554121779 /nfs/dbraw/zinc/12/17/79/554121779.db2.gz CYCFPWLUMIICML-AREMUKBSSA-N 0 0 512.610 3.488 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987734 554121856 /nfs/dbraw/zinc/12/18/56/554121856.db2.gz QIGHWJMXMNGUSB-SANMLTNESA-N 0 0 512.610 3.488 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987735 554121776 /nfs/dbraw/zinc/12/17/76/554121776.db2.gz QIGHWJMXMNGUSB-AREMUKBSSA-N 0 0 512.610 3.488 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987738 554121960 /nfs/dbraw/zinc/12/19/60/554121960.db2.gz VXQCLRLNKTYOPX-DQEYMECFSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987739 554121947 /nfs/dbraw/zinc/12/19/47/554121947.db2.gz VXQCLRLNKTYOPX-LOSJGSFVSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987740 554122028 /nfs/dbraw/zinc/12/20/28/554122028.db2.gz VXQCLRLNKTYOPX-RPBOFIJWSA-N 0 0 505.615 3.072 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000035987741 554122014 /nfs/dbraw/zinc/12/20/14/554122014.db2.gz VXQCLRLNKTYOPX-JWQCQUIFSA-N 0 0 505.615 3.072 50 0 KGAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1 ZINC000035987772 554121950 /nfs/dbraw/zinc/12/19/50/554121950.db2.gz ULHXITODLHQBFW-KNQAVFIVSA-N 0 0 507.587 3.112 50 0 KGAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1 ZINC000035987773 554121953 /nfs/dbraw/zinc/12/19/53/554121953.db2.gz ULHXITODLHQBFW-UGKGYDQZSA-N 0 0 507.587 3.112 50 0 KGAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1 ZINC000035987774 554122005 /nfs/dbraw/zinc/12/20/05/554122005.db2.gz ULHXITODLHQBFW-DENIHFKCSA-N 0 0 507.587 3.112 50 0 KGAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N1C(=O)c1ccc(C)cc1 ZINC000035987775 554121955 /nfs/dbraw/zinc/12/19/55/554121955.db2.gz ULHXITODLHQBFW-SIKLNZKXSA-N 0 0 507.587 3.112 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035987782 554122023 /nfs/dbraw/zinc/12/20/23/554122023.db2.gz KUMRGDZKDWAMRM-ZEQRLZLVSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035987783 554122046 /nfs/dbraw/zinc/12/20/46/554122046.db2.gz KUMRGDZKDWAMRM-BJKOFHAPSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035987784 554122279 /nfs/dbraw/zinc/12/22/79/554122279.db2.gz KUMRGDZKDWAMRM-RPWUZVMVSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2cccc(Cl)c2)CC3)cc1 ZINC000035987785 554122299 /nfs/dbraw/zinc/12/22/99/554122299.db2.gz KUMRGDZKDWAMRM-DNQXCXABSA-N 0 0 526.033 3.417 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1 ZINC000035987790 554122301 /nfs/dbraw/zinc/12/23/01/554122301.db2.gz VFUMEWRQADCKMD-DEOSSOPVSA-N 0 0 518.639 3.170 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccncc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1 ZINC000035987791 554122239 /nfs/dbraw/zinc/12/22/39/554122239.db2.gz VFUMEWRQADCKMD-XMMPIXPASA-N 0 0 518.639 3.170 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2C)c1 ZINC000035987818 554122243 /nfs/dbraw/zinc/12/22/43/554122243.db2.gz RMWFDJPRRQPASU-VWLOTQADSA-N 0 0 517.582 3.387 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2C)c1 ZINC000035987819 554122228 /nfs/dbraw/zinc/12/22/28/554122228.db2.gz RMWFDJPRRQPASU-RUZDIDTESA-N 0 0 517.582 3.387 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)c1 ZINC000035987826 554122275 /nfs/dbraw/zinc/12/22/75/554122275.db2.gz WUJQUURLLKSEKR-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)c1 ZINC000035987827 554122327 /nfs/dbraw/zinc/12/23/27/554122327.db2.gz WUJQUURLLKSEKR-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2C)c1 ZINC000035987828 554122271 /nfs/dbraw/zinc/12/22/71/554122271.db2.gz MVXUOEYXLPNDRQ-SANMLTNESA-N 0 0 528.609 3.189 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccccc2C)c1 ZINC000035987829 554122310 /nfs/dbraw/zinc/12/23/10/554122310.db2.gz MVXUOEYXLPNDRQ-AREMUKBSSA-N 0 0 528.609 3.189 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NC(C)C)N3C(=O)c2ccccc2C)cc1OC ZINC000035987848 554122268 /nfs/dbraw/zinc/12/22/68/554122268.db2.gz QXBIQVNGHBPDPN-QFIPXVFZSA-N 0 0 509.603 3.010 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccccc2C)cc1OC ZINC000035987849 554122258 /nfs/dbraw/zinc/12/22/58/554122258.db2.gz QXBIQVNGHBPDPN-JOCHJYFZSA-N 0 0 509.603 3.010 50 0 KGAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987850 554122305 /nfs/dbraw/zinc/12/23/05/554122305.db2.gz DDLKUUGDJITPEW-OFNKIYASSA-N 0 0 523.630 3.400 50 0 KGAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987851 554122314 /nfs/dbraw/zinc/12/23/14/554122314.db2.gz DDLKUUGDJITPEW-REWPJTCUSA-N 0 0 523.630 3.400 50 0 KGAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987852 554122312 /nfs/dbraw/zinc/12/23/12/554122312.db2.gz DDLKUUGDJITPEW-NFBKMPQASA-N 0 0 523.630 3.400 50 0 KGAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)N1C(=O)c1ccccc1C ZINC000035987853 554122308 /nfs/dbraw/zinc/12/23/08/554122308.db2.gz DDLKUUGDJITPEW-NZQKXSOJSA-N 0 0 523.630 3.400 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)cc1OC ZINC000035987854 554122282 /nfs/dbraw/zinc/12/22/82/554122282.db2.gz AKZIOQLFDSGARB-QHCPKHFHSA-N 0 0 521.614 3.108 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCCC2)N3C(=O)c2ccccc2C)cc1OC ZINC000035987855 554122254 /nfs/dbraw/zinc/12/22/54/554122254.db2.gz AKZIOQLFDSGARB-HSZRJFAPSA-N 0 0 521.614 3.108 50 0 KGAARN COc1cc(-c2ncc(C(=O)N3CCN(C)CC3)c(N3CCc4ccccc4C3)n2)cc(OC)c1OC ZINC000035987908 554122546 /nfs/dbraw/zinc/12/25/46/554122546.db2.gz CJDZDDVTSQZSIS-UHFFFAOYSA-N 0 0 503.603 3.120 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989300 554122891 /nfs/dbraw/zinc/12/28/91/554122891.db2.gz AXHXJVOAKQPDED-XMMPIXPASA-N 0 0 505.571 3.493 50 0 KGAARN CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000035989301 554122799 /nfs/dbraw/zinc/12/27/99/554122799.db2.gz AXHXJVOAKQPDED-DEOSSOPVSA-N 0 0 505.571 3.493 50 0 KGAARN O=C(NCc1ccco1)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989887 554122826 /nfs/dbraw/zinc/12/28/26/554122826.db2.gz JCIYZKPXDFCJTB-QHCPKHFHSA-N 0 0 509.509 3.348 50 0 KGAARN O=C(NCc1ccco1)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989888 554122900 /nfs/dbraw/zinc/12/29/00/554122900.db2.gz JCIYZKPXDFCJTB-HSZRJFAPSA-N 0 0 509.509 3.348 50 0 KGAARN O=C(NCc1ccccn1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989926 554123067 /nfs/dbraw/zinc/12/30/67/554123067.db2.gz MZHOAIAIBWNCNW-DEOSSOPVSA-N 0 0 520.536 3.150 50 0 KGAARN O=C(NCc1ccccn1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989927 554123129 /nfs/dbraw/zinc/12/31/29/554123129.db2.gz MZHOAIAIBWNCNW-XMMPIXPASA-N 0 0 520.536 3.150 50 0 KGAARN O=C(NCc1cccnc1)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989928 554123126 /nfs/dbraw/zinc/12/31/26/554123126.db2.gz XVHXNYPCOJDCCI-DEOSSOPVSA-N 0 0 520.536 3.150 50 0 KGAARN O=C(NCc1cccnc1)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1cccc(F)c1 ZINC000035989929 554123083 /nfs/dbraw/zinc/12/30/83/554123083.db2.gz XVHXNYPCOJDCCI-XMMPIXPASA-N 0 0 520.536 3.150 50 0 KGAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccccn1)N2C(=O)c1cccc(F)c1 ZINC000035989958 554123166 /nfs/dbraw/zinc/12/31/66/554123166.db2.gz RHWBZVZPIIXKNJ-VWLOTQADSA-N 0 0 516.573 3.319 50 0 KGAARN Cc1ccccc1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccccn1)N2C(=O)c1cccc(F)c1 ZINC000035989959 554123038 /nfs/dbraw/zinc/12/30/38/554123038.db2.gz RHWBZVZPIIXKNJ-RUZDIDTESA-N 0 0 516.573 3.319 50 0 KGAARN COCCNC(=O)c1cnc(-c2cc(OC)c(OC)c(OC)c2)nc1N1CCN(c2ccccc2F)CC1 ZINC000035989993 554123463 /nfs/dbraw/zinc/12/34/63/554123463.db2.gz VOPUGTHQBAVOSW-UHFFFAOYSA-N 0 0 525.581 3.011 50 0 KGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035990000 554123403 /nfs/dbraw/zinc/12/34/03/554123403.db2.gz BRXNCSMPSXTZGV-DEOSSOPVSA-N 0 0 521.545 3.217 50 0 KGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(F)cc2)CC3)c1 ZINC000035990001 554123426 /nfs/dbraw/zinc/12/34/26/554123426.db2.gz BRXNCSMPSXTZGV-XMMPIXPASA-N 0 0 521.545 3.217 50 0 KGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000035990046 554123459 /nfs/dbraw/zinc/12/34/59/554123459.db2.gz MYRVTOUTDDOIRJ-QHCPKHFHSA-N 0 0 508.619 3.003 50 0 KGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000035990047 554123394 /nfs/dbraw/zinc/12/33/94/554123394.db2.gz MYRVTOUTDDOIRJ-HSZRJFAPSA-N 0 0 508.619 3.003 50 0 KGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000035990048 554123493 /nfs/dbraw/zinc/12/34/93/554123493.db2.gz RXJSXRPYLZRMEH-QHCPKHFHSA-N 0 0 508.619 3.003 50 0 KGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)CC(C)(C)C)CC3)c1 ZINC000035990049 554123530 /nfs/dbraw/zinc/12/35/30/554123530.db2.gz RXJSXRPYLZRMEH-HSZRJFAPSA-N 0 0 508.619 3.003 50 0 KGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990056 554123510 /nfs/dbraw/zinc/12/35/10/554123510.db2.gz SKIJZHOLNJQZIZ-DEOSSOPVSA-N 0 0 521.545 3.217 50 0 KGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccccc2F)CC3)c1 ZINC000035990057 554123390 /nfs/dbraw/zinc/12/33/90/554123390.db2.gz SKIJZHOLNJQZIZ-XMMPIXPASA-N 0 0 521.545 3.217 50 0 KGAARN COc1cccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035990075 554123754 /nfs/dbraw/zinc/12/37/54/554123754.db2.gz KMURVQPOZIUARY-DEOSSOPVSA-N 0 0 521.545 3.217 50 0 KGAARN COc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccc(F)c2)CC3)c1 ZINC000035990076 554123768 /nfs/dbraw/zinc/12/37/68/554123768.db2.gz KMURVQPOZIUARY-XMMPIXPASA-N 0 0 521.545 3.217 50 0 KGAARN COCc1nc2c(c(C)nn2-c2ccccc2Cl)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000035990425 554123651 /nfs/dbraw/zinc/12/36/51/554123651.db2.gz XTLWRQSQGRRVRD-UHFFFAOYSA-N 0 0 513.023 3.435 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991836 554124316 /nfs/dbraw/zinc/12/43/16/554124316.db2.gz QMHXLTHNGNGMPQ-HSZRJFAPSA-N 0 0 514.985 3.450 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991837 554124377 /nfs/dbraw/zinc/12/43/77/554124377.db2.gz QMHXLTHNGNGMPQ-QHCPKHFHSA-N 0 0 514.985 3.450 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991840 554124390 /nfs/dbraw/zinc/12/43/90/554124390.db2.gz MLLUWTKZRGVHER-OAQYLSRUSA-N 0 0 503.024 3.373 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991841 554124272 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ZINC000035992044 554124822 /nfs/dbraw/zinc/12/48/22/554124822.db2.gz HYBKWPDYKRXCQS-IBVKSMDESA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000035992053 554124765 /nfs/dbraw/zinc/12/47/65/554124765.db2.gz VCIVDXPOIADLGK-KBMIEXCESA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000035992054 554124808 /nfs/dbraw/zinc/12/48/08/554124808.db2.gz VCIVDXPOIADLGK-CLOONOSVSA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000035992055 554124792 /nfs/dbraw/zinc/12/47/92/554124792.db2.gz OKILPFLEGPHHKP-KBMIEXCESA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000035992056 554125020 /nfs/dbraw/zinc/12/50/20/554125020.db2.gz OKILPFLEGPHHKP-CLOONOSVSA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000035992061 554125050 /nfs/dbraw/zinc/12/50/50/554125050.db2.gz RQRBNTQLDOWPLS-FQRUVTKNSA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C)cc1 ZINC000035992062 554125069 /nfs/dbraw/zinc/12/50/69/554125069.db2.gz RQRBNTQLDOWPLS-IBVKSMDESA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992063 554125062 /nfs/dbraw/zinc/12/50/62/554125062.db2.gz NHNFCIWRWZHXJS-NRFANRHFSA-N 0 0 510.557 3.409 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992064 554125053 /nfs/dbraw/zinc/12/50/53/554125053.db2.gz NHNFCIWRWZHXJS-OAQYLSRUSA-N 0 0 510.557 3.409 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992069 554125096 /nfs/dbraw/zinc/12/50/96/554125096.db2.gz ISGCUGHZIILPHY-NRFANRHFSA-N 0 0 508.541 3.163 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CC3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992070 554125032 /nfs/dbraw/zinc/12/50/32/554125032.db2.gz ISGCUGHZIILPHY-OAQYLSRUSA-N 0 0 508.541 3.163 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992071 554125027 /nfs/dbraw/zinc/12/50/27/554125027.db2.gz UDCJLRLFLLQWJA-IIBYNOLFSA-N 0 0 510.557 3.407 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992072 554125040 /nfs/dbraw/zinc/12/50/40/554125040.db2.gz UDCJLRLFLLQWJA-IERDGZPVSA-N 0 0 510.557 3.407 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992079 554125088 /nfs/dbraw/zinc/12/50/88/554125088.db2.gz RFKLARHLCGRBMN-MZNJEOGPSA-N 0 0 512.557 3.325 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992080 554125075 /nfs/dbraw/zinc/12/50/75/554125075.db2.gz RFKLARHLCGRBMN-OSPHWJPCSA-N 0 0 512.557 3.325 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992087 554125022 /nfs/dbraw/zinc/12/50/22/554125022.db2.gz ZYXSGZQSRALAPX-OPAMFIHVSA-N 0 0 500.596 3.247 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992088 554125077 /nfs/dbraw/zinc/12/50/77/554125077.db2.gz ZYXSGZQSRALAPX-ZHRRBRCNSA-N 0 0 500.596 3.247 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992091 554125038 /nfs/dbraw/zinc/12/50/38/554125038.db2.gz AWTQYDUOKRAXKR-IQGLISFBSA-N 0 0 524.593 3.194 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992092 554125082 /nfs/dbraw/zinc/12/50/82/554125082.db2.gz AWTQYDUOKRAXKR-CJAUYULYSA-N 0 0 524.593 3.194 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992097 554125043 /nfs/dbraw/zinc/12/50/43/554125043.db2.gz XMICKHZCZPICBF-KBMIEXCESA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992098 554125072 /nfs/dbraw/zinc/12/50/72/554125072.db2.gz XMICKHZCZPICBF-CLOONOSVSA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992103 554125035 /nfs/dbraw/zinc/12/50/35/554125035.db2.gz YRCUOIZTNGKUPY-MZNJEOGPSA-N 0 0 512.557 3.325 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992104 554125056 /nfs/dbraw/zinc/12/50/56/554125056.db2.gz YRCUOIZTNGKUPY-OSPHWJPCSA-N 0 0 512.557 3.325 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992155 554125309 /nfs/dbraw/zinc/12/53/09/554125309.db2.gz KFQLPNVLCLPOPI-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992156 554125342 /nfs/dbraw/zinc/12/53/42/554125342.db2.gz KFQLPNVLCLPOPI-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992163 554125328 /nfs/dbraw/zinc/12/53/28/554125328.db2.gz KNKBVLPPDBADNI-QFIPXVFZSA-N 0 0 500.596 3.249 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992164 554125334 /nfs/dbraw/zinc/12/53/34/554125334.db2.gz KNKBVLPPDBADNI-JOCHJYFZSA-N 0 0 500.596 3.249 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992167 554125313 /nfs/dbraw/zinc/12/53/13/554125313.db2.gz OWMFAYRJXVGWMB-VWLOTQADSA-N 0 0 524.593 3.196 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992168 554125315 /nfs/dbraw/zinc/12/53/15/554125315.db2.gz OWMFAYRJXVGWMB-RUZDIDTESA-N 0 0 524.593 3.196 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992173 554125337 /nfs/dbraw/zinc/12/53/37/554125337.db2.gz LKNFTYZBVOHMSC-VWLOTQADSA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992174 554125320 /nfs/dbraw/zinc/12/53/20/554125320.db2.gz LKNFTYZBVOHMSC-RUZDIDTESA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992177 554125302 /nfs/dbraw/zinc/12/53/02/554125302.db2.gz LSVMFSHOEHHXHY-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992178 554125317 /nfs/dbraw/zinc/12/53/17/554125317.db2.gz LSVMFSHOEHHXHY-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992179 554125292 /nfs/dbraw/zinc/12/52/92/554125292.db2.gz XXTHDYGRTYACPQ-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992180 554125339 /nfs/dbraw/zinc/12/53/39/554125339.db2.gz XXTHDYGRTYACPQ-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992185 554125347 /nfs/dbraw/zinc/12/53/47/554125347.db2.gz HOKCTHIYGPOQTO-VWLOTQADSA-N 0 0 524.593 3.196 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992186 554125262 /nfs/dbraw/zinc/12/52/62/554125262.db2.gz HOKCTHIYGPOQTO-RUZDIDTESA-N 0 0 524.593 3.196 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992205 554125281 /nfs/dbraw/zinc/12/52/81/554125281.db2.gz YPFPKALVRWEARD-KOSHJBKYSA-N 0 0 500.615 3.452 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)C3CCCC3)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992206 554125324 /nfs/dbraw/zinc/12/53/24/554125324.db2.gz YPFPKALVRWEARD-HOYKHHGWSA-N 0 0 500.615 3.452 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992241 554125563 /nfs/dbraw/zinc/12/55/63/554125563.db2.gz ZKXVAHUAVMMZGD-NRFANRHFSA-N 0 0 525.572 3.344 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992242 554125683 /nfs/dbraw/zinc/12/56/83/554125683.db2.gz ZKXVAHUAVMMZGD-OAQYLSRUSA-N 0 0 525.572 3.344 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992247 554125597 /nfs/dbraw/zinc/12/55/97/554125597.db2.gz INUZMJMRINEKGN-IIBYNOLFSA-N 0 0 525.572 3.343 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035992248 554125623 /nfs/dbraw/zinc/12/56/23/554125623.db2.gz INUZMJMRINEKGN-IERDGZPVSA-N 0 0 525.572 3.343 50 0 KGAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000035992259 554125706 /nfs/dbraw/zinc/12/57/06/554125706.db2.gz OHCAKXGRCDOVFO-VWLOTQADSA-N 0 0 521.618 3.339 50 0 KGAARN CCNC(=O)N1CCN(CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2C)CC1 ZINC000035992260 554125690 /nfs/dbraw/zinc/12/56/90/554125690.db2.gz OHCAKXGRCDOVFO-RUZDIDTESA-N 0 0 521.618 3.339 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035992279 554125648 /nfs/dbraw/zinc/12/56/48/554125648.db2.gz FJGXFQJLEIXJDM-VGSWGCGISA-N 0 0 503.619 3.243 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035992280 554125632 /nfs/dbraw/zinc/12/56/32/554125632.db2.gz FJGXFQJLEIXJDM-VGOFRKELSA-N 0 0 503.619 3.243 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992790 554126141 /nfs/dbraw/zinc/12/61/41/554126141.db2.gz MQUSWVAUXWSPJR-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992791 554126122 /nfs/dbraw/zinc/12/61/22/554126122.db2.gz MQUSWVAUXWSPJR-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992792 554126031 /nfs/dbraw/zinc/12/60/31/554126031.db2.gz SSAOYTSIDQMDRU-QFIPXVFZSA-N 0 0 500.596 3.249 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992793 554126166 /nfs/dbraw/zinc/12/61/66/554126166.db2.gz SSAOYTSIDQMDRU-JOCHJYFZSA-N 0 0 500.596 3.249 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992798 554126048 /nfs/dbraw/zinc/12/60/48/554126048.db2.gz ZDOPZSSBAGXNMU-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992799 554126027 /nfs/dbraw/zinc/12/60/27/554126027.db2.gz ZDOPZSSBAGXNMU-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992800 554126183 /nfs/dbraw/zinc/12/61/83/554126183.db2.gz LYXWCYZXCXPADF-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992801 554126018 /nfs/dbraw/zinc/12/60/18/554126018.db2.gz LYXWCYZXCXPADF-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992826 554126382 /nfs/dbraw/zinc/12/63/82/554126382.db2.gz PVXDYJRPQJFZGC-XMMPIXPASA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992827 554126421 /nfs/dbraw/zinc/12/64/21/554126421.db2.gz PVXDYJRPQJFZGC-DEOSSOPVSA-N 0 0 512.557 3.326 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992868 554126460 /nfs/dbraw/zinc/12/64/60/554126460.db2.gz MKTOXHLYFPQXJU-IIBYNOLFSA-N 0 0 506.047 3.368 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992869 554126470 /nfs/dbraw/zinc/12/64/70/554126470.db2.gz MKTOXHLYFPQXJU-IERDGZPVSA-N 0 0 506.047 3.368 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035992876 554126431 /nfs/dbraw/zinc/12/64/31/554126431.db2.gz IDFIELWVSCWBQK-OAQYLSRUSA-N 0 0 506.047 3.369 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035992877 554126463 /nfs/dbraw/zinc/12/64/63/554126463.db2.gz IDFIELWVSCWBQK-NRFANRHFSA-N 0 0 506.047 3.369 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035992890 554126390 /nfs/dbraw/zinc/12/63/90/554126390.db2.gz PCSSSLNCHIHFQT-VGSWGCGISA-N 0 0 503.619 3.243 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)NC(C)(C)C)[C@H](C)C2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035992891 554126418 /nfs/dbraw/zinc/12/64/18/554126418.db2.gz PCSSSLNCHIHFQT-VGOFRKELSA-N 0 0 503.619 3.243 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993363 554126674 /nfs/dbraw/zinc/12/66/74/554126674.db2.gz LHNGICLLRRJAMA-KBMIEXCESA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(F)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993364 554126604 /nfs/dbraw/zinc/12/66/04/554126604.db2.gz LHNGICLLRRJAMA-CLOONOSVSA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993373 554126691 /nfs/dbraw/zinc/12/66/91/554126691.db2.gz IEYFCLKWSUZSIK-FQRUVTKNSA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993374 554126729 /nfs/dbraw/zinc/12/67/29/554126729.db2.gz IEYFCLKWSUZSIK-IBVKSMDESA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993385 554126682 /nfs/dbraw/zinc/12/66/82/554126682.db2.gz VPGIIEONKNLOGH-KBMIEXCESA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3F)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993386 554126694 /nfs/dbraw/zinc/12/66/94/554126694.db2.gz VPGIIEONKNLOGH-CLOONOSVSA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993387 554126653 /nfs/dbraw/zinc/12/66/53/554126653.db2.gz SAFLMFDXGXBSDN-KBMIEXCESA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(F)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993388 554126747 /nfs/dbraw/zinc/12/67/47/554126747.db2.gz SAFLMFDXGXBSDN-CLOONOSVSA-N 0 0 508.594 3.494 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993393 554126743 /nfs/dbraw/zinc/12/67/43/554126743.db2.gz LXERVYQYLDYJII-FQRUVTKNSA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993394 554126756 /nfs/dbraw/zinc/12/67/56/554126756.db2.gz LXERVYQYLDYJII-IBVKSMDESA-N 0 0 520.630 3.363 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993395 554126718 /nfs/dbraw/zinc/12/67/18/554126718.db2.gz HGNVLEZKFKQYDM-RUZDIDTESA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc(F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993396 554126701 /nfs/dbraw/zinc/12/67/01/554126701.db2.gz HGNVLEZKFKQYDM-VWLOTQADSA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993413 554126639 /nfs/dbraw/zinc/12/66/39/554126639.db2.gz FWAXKBIIIHXEPJ-RUZDIDTESA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccccc3F)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993414 554126611 /nfs/dbraw/zinc/12/66/11/554126611.db2.gz FWAXKBIIIHXEPJ-VWLOTQADSA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000035993415 554127036 /nfs/dbraw/zinc/12/70/36/554127036.db2.gz FWSHVEOHDKDOGL-RUZDIDTESA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3cccc(F)c3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000035993416 554127063 /nfs/dbraw/zinc/12/70/63/554127063.db2.gz FWSHVEOHDKDOGL-VWLOTQADSA-N 0 0 508.594 3.496 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccs3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035993431 554127045 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CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@@H]1CCCO1 ZINC000036062886 554162234 /nfs/dbraw/zinc/16/22/34/554162234.db2.gz MBYKWWBNBIGJDZ-IBGZPJMESA-N 0 0 501.031 3.046 50 0 KGAARN CCCNC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C[C@H]1CCCO1 ZINC000036062888 554162245 /nfs/dbraw/zinc/16/22/45/554162245.db2.gz MBYKWWBNBIGJDZ-LJQANCHMSA-N 0 0 501.031 3.046 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)c4ccco4)CC3)nn2)cc1 ZINC000036064200 554163315 /nfs/dbraw/zinc/16/33/15/554163315.db2.gz XNKVZALFEJAWPU-UHFFFAOYSA-N 0 0 501.543 3.329 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc(F)cc4)C(=O)C4CC4)CC3)nn2)cc1 ZINC000036064218 554163482 /nfs/dbraw/zinc/16/34/82/554163482.db2.gz BGYVTTCNTKHAGJ-UHFFFAOYSA-N 0 0 503.578 3.379 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)NC(C)(C)C)CC3)nn2)cc1 ZINC000036064219 554163468 /nfs/dbraw/zinc/16/34/68/554163468.db2.gz MWPHZEGTNOEMIK-UHFFFAOYSA-N 0 0 506.607 3.404 50 0 KGAARN CCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036064305 554163511 /nfs/dbraw/zinc/16/35/11/554163511.db2.gz VMYXXQHEMAWNMY-UHFFFAOYSA-N 0 0 503.603 3.362 50 0 KGAARN CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)N4CCN(C)CC4)c3)n2)CC1 ZINC000036065188 554163844 /nfs/dbraw/zinc/16/38/44/554163844.db2.gz ZWSRXOPRNZMDQG-UHFFFAOYSA-N 0 0 510.708 3.123 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC(C)C)C(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000036065228 554163792 /nfs/dbraw/zinc/16/37/92/554163792.db2.gz OKVUMIDKAFQTPW-UHFFFAOYSA-N 0 0 531.613 3.328 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccc(OC)c4)C(C)C)CC3)nn2)cc1 ZINC000036065249 554164017 /nfs/dbraw/zinc/16/40/17/554164017.db2.gz OGBURKMEAMWXNM-UHFFFAOYSA-N 0 0 503.603 3.360 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4cccc(OC)c4)C4CC4)CC3)nn2)cc1 ZINC000036065257 554164034 /nfs/dbraw/zinc/16/40/34/554164034.db2.gz ZRPMBJXIAQTWHA-UHFFFAOYSA-N 0 0 501.587 3.114 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036065261 554164068 /nfs/dbraw/zinc/16/40/68/554164068.db2.gz CCMMAHFICZUWQD-VWLOTQADSA-N 0 0 515.614 3.122 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccccc4)CC3)nn2)cc1 ZINC000036065262 554164023 /nfs/dbraw/zinc/16/40/23/554164023.db2.gz CCMMAHFICZUWQD-RUZDIDTESA-N 0 0 515.614 3.122 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000036065263 554164051 /nfs/dbraw/zinc/16/40/51/554164051.db2.gz MUNSZHSBCFXBST-SANMLTNESA-N 0 0 529.641 3.431 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000036065264 554164059 /nfs/dbraw/zinc/16/40/59/554164059.db2.gz MUNSZHSBCFXBST-AREMUKBSSA-N 0 0 529.641 3.431 50 0 KGAARN CCCCN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc2c(c1)OCO2 ZINC000036065277 554163998 /nfs/dbraw/zinc/16/39/98/554163998.db2.gz YVPAISUPGXXINL-UHFFFAOYSA-N 0 0 531.613 3.472 50 0 KGAARN O=C(NCCN1CCOCC1)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccccc2Cl)n1 ZINC000036065748 554164841 /nfs/dbraw/zinc/16/48/41/554164841.db2.gz UKFNDNYGSHSKQD-UHFFFAOYSA-N 0 0 512.994 3.321 50 0 KGAARN COc1cccc(CN(Cc2nc(C(=O)N3CCN(C)CC3)co2)Cc2ccc3c(c2)OCO3)c1OC ZINC000036065821 554165020 /nfs/dbraw/zinc/16/50/20/554165020.db2.gz BECGLHMUEZGWNW-UHFFFAOYSA-N 0 0 508.575 3.011 50 0 KGAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)c1 ZINC000036065881 554164969 /nfs/dbraw/zinc/16/49/69/554164969.db2.gz BYNCOQXBWSGSLW-UHFFFAOYSA-N 0 0 506.603 3.285 50 0 KGAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066301 554165331 /nfs/dbraw/zinc/16/53/31/554165331.db2.gz NXBHZSCKPFUDDX-UETMDFGDSA-N 0 0 516.038 3.305 50 0 biogenic KGAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066302 554165359 /nfs/dbraw/zinc/16/53/59/554165359.db2.gz NXBHZSCKPFUDDX-ZKWJSJOJSA-N 0 0 516.038 3.305 50 0 biogenic 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554165536 /nfs/dbraw/zinc/16/55/36/554165536.db2.gz FITJFXQMIFIQFJ-JFHULYJISA-N 0 0 516.436 3.396 50 0 biogenic KGAARN CC(C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066332 554165471 /nfs/dbraw/zinc/16/54/71/554165471.db2.gz FITJFXQMIFIQFJ-GBHCNSOCSA-N 0 0 516.436 3.396 50 0 biogenic KGAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000036066353 554165538 /nfs/dbraw/zinc/16/55/38/554165538.db2.gz ZZSNZBVVUNKZBF-ZKNIRDGJSA-N 0 0 509.647 3.268 50 0 biogenic KGAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000036066354 554165564 /nfs/dbraw/zinc/16/55/64/554165564.db2.gz ZZSNZBVVUNKZBF-JBBRWPJWSA-N 0 0 509.647 3.268 50 0 biogenic KGAARN CC(=O)N1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3ccc(F)cc3F)n2)CC1 ZINC000036068092 554165488 /nfs/dbraw/zinc/16/54/88/554165488.db2.gz GARVFBZGJOTWAW-UHFFFAOYSA-N 0 0 512.513 3.188 50 0 KGAARN Cc1ccc(CN(Cc2nc(C(=O)NCCN3CCOCC3)co2)Cc2ccc3c(c2)OCO3)c(C)c1 ZINC000036068370 554165474 /nfs/dbraw/zinc/16/54/74/554165474.db2.gz KKSWDOGMBUSTFT-UHFFFAOYSA-N 0 0 506.603 3.285 50 0 KGAARN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccco1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036069250 554166112 /nfs/dbraw/zinc/16/61/12/554166112.db2.gz OWLRPBZSTZZQAT-UHFFFAOYSA-N 0 0 525.565 3.457 50 0 KGAARN CC(C)C(=O)N(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000036069252 554166079 /nfs/dbraw/zinc/16/60/79/554166079.db2.gz YZCWNVYFLCSTPS-UHFFFAOYSA-N 0 0 501.587 3.206 50 0 KGAARN O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000036069255 554166062 /nfs/dbraw/zinc/16/60/62/554166062.db2.gz LWPWFULZRAWMBE-UHFFFAOYSA-N 0 0 513.598 3.350 50 0 KGAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C(=O)c4ccc5c(c4)OCO5)C(C)C)CC3)nn2)cc1 ZINC000036069503 554166358 /nfs/dbraw/zinc/16/63/58/554166358.db2.gz DGPREAXVIXUSLJ-UHFFFAOYSA-N 0 0 501.587 3.380 50 0 KGAARN CCC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000036069703 554166605 /nfs/dbraw/zinc/16/66/05/554166605.db2.gz JIHKEAJEFMYWHA-UHFFFAOYSA-N 0 0 501.587 3.268 50 0 KGAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccc5c(c4)OCO5)C(=O)C4CC4)CC3)nn2)cc1 ZINC000036069705 554166630 /nfs/dbraw/zinc/16/66/30/554166630.db2.gz WEJAGOSGFQZAHE-UHFFFAOYSA-N 0 0 513.598 3.268 50 0 KGAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)cc1 ZINC000036069801 554166592 /nfs/dbraw/zinc/16/65/92/554166592.db2.gz OOQRXYJUMYOWBW-QFIPXVFZSA-N 0 0 505.644 3.484 50 0 KGAARN Cc1ccc(-c2ccc(N3CCN(C(=O)CN(C[C@H]4CCCO4)C(=O)c4cccs4)CC3)nn2)cc1 ZINC000036069803 554166656 /nfs/dbraw/zinc/16/66/56/554166656.db2.gz OOQRXYJUMYOWBW-JOCHJYFZSA-N 0 0 505.644 3.484 50 0 KGAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@@H]2CCCO2)cc1 ZINC000036069805 554166674 /nfs/dbraw/zinc/16/66/74/554166674.db2.gz FUOYOJSXHCCCOV-SANMLTNESA-N 0 0 529.641 3.431 50 0 KGAARN COc1ccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@H]2CCCO2)cc1 ZINC000036069808 554166612 /nfs/dbraw/zinc/16/66/12/554166612.db2.gz FUOYOJSXHCCCOV-AREMUKBSSA-N 0 0 529.641 3.431 50 0 KGAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@@H]2CCCO2)c1 ZINC000036069850 554166601 /nfs/dbraw/zinc/16/66/01/554166601.db2.gz CWWJGZUPDCPSBM-SANMLTNESA-N 0 0 529.641 3.431 50 0 KGAARN COc1cccc(C(=O)N(CC(=O)N2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)C[C@H]2CCCO2)c1 ZINC000036069853 554166636 /nfs/dbraw/zinc/16/66/36/554166636.db2.gz CWWJGZUPDCPSBM-AREMUKBSSA-N 0 0 529.641 3.431 50 0 KGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036069994 554166883 /nfs/dbraw/zinc/16/68/83/554166883.db2.gz SLZXVONFDXCIMC-UHFFFAOYSA-N 0 0 517.630 3.288 50 0 KGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000036070004 554166939 /nfs/dbraw/zinc/16/69/39/554166939.db2.gz IOXZEIFGKAHBDV-UHFFFAOYSA-N 0 0 505.594 3.419 50 0 KGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036070007 554166885 /nfs/dbraw/zinc/16/68/85/554166885.db2.gz SCOXKXBDJXIHSR-UHFFFAOYSA-N 0 0 505.594 3.419 50 0 KGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036070012 554166874 /nfs/dbraw/zinc/16/68/74/554166874.db2.gz JBXFNNLBXYMWLZ-UHFFFAOYSA-N 0 0 517.630 3.288 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(CC4CC4)C(=O)c4ccccc4F)CC3)nn2)cc1 ZINC000036070234 554167088 /nfs/dbraw/zinc/16/70/88/554167088.db2.gz RPCUXGDJTLWKMY-UHFFFAOYSA-N 0 0 503.578 3.492 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)C(C)C)CC3)nn2)c(OC)c1 ZINC000036070251 554167109 /nfs/dbraw/zinc/16/71/09/554167109.db2.gz SLZCHVVPFHYDLL-UHFFFAOYSA-N 0 0 507.591 3.087 50 0 KGAARN COc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccco4)C(=O)CC(C)C)CC3)nn2)c(OC)c1 ZINC000036070253 554167078 /nfs/dbraw/zinc/16/70/78/554167078.db2.gz FUPIZNOGTACHJD-UHFFFAOYSA-N 0 0 521.618 3.477 50 0 KGAARN 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COc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000036214925 554205968 /nfs/dbraw/zinc/20/59/68/554205968.db2.gz GNZSVGICWHIRAA-QHCPKHFHSA-N 0 0 520.051 3.170 50 0 KGAARN COc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000036214927 554206008 /nfs/dbraw/zinc/20/60/08/554206008.db2.gz GNZSVGICWHIRAA-HSZRJFAPSA-N 0 0 520.051 3.170 50 0 KGAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036215013 554206279 /nfs/dbraw/zinc/20/62/79/554206279.db2.gz HJGMHZILWYMUOH-NTKDMRAZSA-N 0 0 501.649 3.118 50 0 KGAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036215015 554206200 /nfs/dbraw/zinc/20/62/00/554206200.db2.gz HJGMHZILWYMUOH-YADARESESA-N 0 0 501.649 3.118 50 0 KGAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036215016 554206276 /nfs/dbraw/zinc/20/62/76/554206276.db2.gz HJGMHZILWYMUOH-DVECYGJZSA-N 0 0 501.649 3.118 50 0 KGAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000036215017 554206315 /nfs/dbraw/zinc/20/63/15/554206315.db2.gz HJGMHZILWYMUOH-CYFREDJKSA-N 0 0 501.649 3.118 50 0 KGAARN COCCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036215026 554206303 /nfs/dbraw/zinc/20/63/03/554206303.db2.gz IHQGLRJYRUJOFV-QHCPKHFHSA-N 0 0 522.067 3.000 50 0 KGAARN COCCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000036215028 554206294 /nfs/dbraw/zinc/20/62/94/554206294.db2.gz IHQGLRJYRUJOFV-HSZRJFAPSA-N 0 0 522.067 3.000 50 0 KGAARN Cc1cccc(C(=O)N[C@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000036215054 554206187 /nfs/dbraw/zinc/20/61/87/554206187.db2.gz LYPBFKZYAFJXTI-QHCPKHFHSA-N 0 0 504.052 3.470 50 0 KGAARN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCCC2)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000036215056 554206284 /nfs/dbraw/zinc/20/62/84/554206284.db2.gz LYPBFKZYAFJXTI-HSZRJFAPSA-N 0 0 504.052 3.470 50 0 KGAARN O=C(Nc1ccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1 ZINC000036215755 554206781 /nfs/dbraw/zinc/20/67/81/554206781.db2.gz IGWJIBDLGFVICB-DQEYMECFSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1ccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1 ZINC000036215759 554206770 /nfs/dbraw/zinc/20/67/70/554206770.db2.gz IGWJIBDLGFVICB-RPBOFIJWSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1ccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1 ZINC000036215761 554206679 /nfs/dbraw/zinc/20/66/79/554206679.db2.gz IGWJIBDLGFVICB-LOSJGSFVSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1ccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)cc1)c1ccco1 ZINC000036215764 554206656 /nfs/dbraw/zinc/20/66/56/554206656.db2.gz IGWJIBDLGFVICB-JWQCQUIFSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1 ZINC000036218213 554207711 /nfs/dbraw/zinc/20/77/11/554207711.db2.gz SQFPKUAEOYMWRX-DQEYMECFSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1cccc([C@@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1 ZINC000036218215 554207689 /nfs/dbraw/zinc/20/76/89/554207689.db2.gz SQFPKUAEOYMWRX-RPBOFIJWSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1 ZINC000036218217 554207782 /nfs/dbraw/zinc/20/77/82/554207782.db2.gz SQFPKUAEOYMWRX-LOSJGSFVSA-N 0 0 518.570 3.042 50 0 KGAARN O=C(Nc1cccc([C@H]2OC(=O)N(Cc3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c1)c1ccco1 ZINC000036218219 554207675 /nfs/dbraw/zinc/20/76/75/554207675.db2.gz SQFPKUAEOYMWRX-JWQCQUIFSA-N 0 0 518.570 3.042 50 0 KGAARN COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1Cl ZINC000036227436 554209727 /nfs/dbraw/zinc/20/97/27/554209727.db2.gz MJUZQRONJYLJTF-UHFFFAOYSA-N 0 0 502.818 3.056 50 0 KGAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000036227450 554209721 /nfs/dbraw/zinc/20/97/21/554209721.db2.gz DPLXUEDERYFGCN-UHFFFAOYSA-N 0 0 506.344 3.413 50 0 KGAARN O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000036227456 554209677 /nfs/dbraw/zinc/20/96/77/554209677.db2.gz BRKGSVSTEYNKQT-UHFFFAOYSA-N 0 0 506.344 3.413 50 0 KGAARN COc1ccc(CCNC(=O)[C@@H](C2CCCC2)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000036255643 554210541 /nfs/dbraw/zinc/21/05/41/554210541.db2.gz ZVHZZXUBTJPNQT-HHHXNRCGSA-N 0 0 509.647 3.388 50 0 KGAARN COc1ccc(CCNC(=O)[C@H](C2CCCC2)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000036255646 554210642 /nfs/dbraw/zinc/21/06/42/554210642.db2.gz ZVHZZXUBTJPNQT-MHZLTWQESA-N 0 0 509.647 3.388 50 0 KGAARN COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000036255742 554210979 /nfs/dbraw/zinc/21/09/79/554210979.db2.gz GLJFPJQMKPLJNB-HHHXNRCGSA-N 0 0 509.647 3.388 50 0 KGAARN COc1ccccc1CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000036255743 554211051 /nfs/dbraw/zinc/21/10/51/554211051.db2.gz GLJFPJQMKPLJNB-MHZLTWQESA-N 0 0 509.647 3.388 50 0 KGAARN O=C(NCCCN1CCOCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256057 554211030 /nfs/dbraw/zinc/21/10/30/554211030.db2.gz OARGYOWAOZZGNQ-QHCPKHFHSA-N 0 0 511.494 3.149 50 0 KGAARN O=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256060 554210878 /nfs/dbraw/zinc/21/08/78/554210878.db2.gz OARGYOWAOZZGNQ-HSZRJFAPSA-N 0 0 511.494 3.149 50 0 KGAARN O=C(NCCCN1CCOCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036256067 554210937 /nfs/dbraw/zinc/21/09/37/554210937.db2.gz LNEFNBJNDTYLMQ-QHCPKHFHSA-N 0 0 511.494 3.149 50 0 KGAARN O=C(NCCCN1CCOCC1)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036256070 554210953 /nfs/dbraw/zinc/21/09/53/554210953.db2.gz LNEFNBJNDTYLMQ-HSZRJFAPSA-N 0 0 511.494 3.149 50 0 KGAARN O=C(NCCCN1CCCC1=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036256359 554210858 /nfs/dbraw/zinc/21/08/58/554210858.db2.gz AGBLEABHFQSOPL-QHCPKHFHSA-N 0 0 508.585 3.151 50 0 KGAARN O=C(NCCCN1CCCC1=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036256360 554210899 /nfs/dbraw/zinc/21/08/99/554210899.db2.gz AGBLEABHFQSOPL-HSZRJFAPSA-N 0 0 508.585 3.151 50 0 KGAARN O=C(NCCCN1CCCC1=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256402 554210846 /nfs/dbraw/zinc/21/08/46/554210846.db2.gz MREAWUBQQGUQSY-QHCPKHFHSA-N 0 0 509.478 3.439 50 0 KGAARN O=C(NCCCN1CCCC1=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036256403 554210853 /nfs/dbraw/zinc/21/08/53/554210853.db2.gz MREAWUBQQGUQSY-HSZRJFAPSA-N 0 0 509.478 3.439 50 0 KGAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@H](O)CN1CCOCC1 ZINC000036302740 554212879 /nfs/dbraw/zinc/21/28/79/554212879.db2.gz ZMZNPIKTRWGSPJ-XMMPIXPASA-N 0 0 524.662 3.377 50 0 KGAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CCOC)C[C@@H](O)CN1CCOCC1 ZINC000036302743 554212916 /nfs/dbraw/zinc/21/29/16/554212916.db2.gz ZMZNPIKTRWGSPJ-DEOSSOPVSA-N 0 0 524.662 3.377 50 0 KGAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)CN1CCOCC1 ZINC000036304059 554213790 /nfs/dbraw/zinc/21/37/90/554213790.db2.gz JMXMYYWREXWKFJ-HSZRJFAPSA-N 0 0 516.589 3.393 50 0 KGAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)CN1CCOCC1 ZINC000036304062 554213905 /nfs/dbraw/zinc/21/39/05/554213905.db2.gz JMXMYYWREXWKFJ-QHCPKHFHSA-N 0 0 516.589 3.393 50 0 KGAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)CN1CCOCC1 ZINC000036304379 554214413 /nfs/dbraw/zinc/21/44/13/554214413.db2.gz XPPRETBAIGMWTD-XMMPIXPASA-N 0 0 510.635 3.123 50 0 KGAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)CN1CCOCC1 ZINC000036304381 554214492 /nfs/dbraw/zinc/21/44/92/554214492.db2.gz XPPRETBAIGMWTD-DEOSSOPVSA-N 0 0 510.635 3.123 50 0 KGAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036321658 554219900 /nfs/dbraw/zinc/21/99/00/554219900.db2.gz JIEYYYGZLRFRIC-ZHALLVOQSA-N 0 0 509.024 3.440 50 0 KGAARN CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O ZINC000036338664 554219954 /nfs/dbraw/zinc/21/99/54/554219954.db2.gz JWOGUUIOCYMBPV-VWIQTCEGSA-N 0 0 623.795 3.067 50 0 in-vitro KGAARN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)CN3CCOCC3)CC2)c1Cc1ccc(C)cc1 ZINC000036340063 554219791 /nfs/dbraw/zinc/21/97/91/554219791.db2.gz NSWDJXQTIFWVPL-MHZLTWQESA-N 0 0 531.701 3.004 50 0 KGAARN COCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)CN3CCOCC3)CC2)c1Cc1ccc(C)cc1 ZINC000036340066 554219909 /nfs/dbraw/zinc/21/99/09/554219909.db2.gz NSWDJXQTIFWVPL-HHHXNRCGSA-N 0 0 531.701 3.004 50 0 KGAARN COc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000036342406 554221676 /nfs/dbraw/zinc/22/16/76/554221676.db2.gz XNBZSWOPJXLONQ-DEOSSOPVSA-N 0 0 525.602 3.238 50 0 KGAARN COc1ccc(C2=NN(C(=O)CN3CCC4(CC3)OCCO4)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000036342407 554221488 /nfs/dbraw/zinc/22/14/88/554221488.db2.gz XNBZSWOPJXLONQ-XMMPIXPASA-N 0 0 525.602 3.238 50 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KGAARN CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@H](C)N5C(=O)C4CC4)CC3)CC2)cc1 ZINC000038139302 554259973 /nfs/dbraw/zinc/25/99/73/554259973.db2.gz NJCPXRBJOBQJGQ-NRFANRHFSA-N 0 0 578.735 3.326 50 0 KGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cc2C[C@H]1C ZINC000038139306 554259953 /nfs/dbraw/zinc/25/99/53/554259953.db2.gz XYZZSEFVOZAVHO-LJQANCHMSA-N 0 0 545.105 3.387 50 0 KGAARN CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cc2C[C@@H]1C ZINC000038139307 554260184 /nfs/dbraw/zinc/26/01/84/554260184.db2.gz XYZZSEFVOZAVHO-IBGZPJMESA-N 0 0 545.105 3.387 50 0 KGAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)CC1 ZINC000038139317 554260129 /nfs/dbraw/zinc/26/01/29/554260129.db2.gz IMQVPBIPMJQTCN-OAQYLSRUSA-N 0 0 566.724 3.132 50 0 KGAARN COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)CC1 ZINC000038139318 554260114 /nfs/dbraw/zinc/26/01/14/554260114.db2.gz IMQVPBIPMJQTCN-NRFANRHFSA-N 0 0 566.724 3.132 50 0 KGAARN CCCCCN(C(=O)CCC(=O)OCC(=O)Nc1cccc(SC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038139382 554260131 /nfs/dbraw/zinc/26/01/31/554260131.db2.gz IOBZCJOABGQQHY-UHFFFAOYSA-N 0 0 547.678 3.126 50 0 KGAARN Cc1ccc(SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSc2ccc(C)c(C)c2)cc1C ZINC000038139388 554260088 /nfs/dbraw/zinc/26/00/88/554260088.db2.gz KOKHLAZCNSEHJZ-UHFFFAOYSA-N 0 0 532.684 3.123 50 0 KGAARN Cc1ccc(C(=O)OCC(=O)N(CCc2ccccc2)Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000038139401 554260373 /nfs/dbraw/zinc/26/03/73/554260373.db2.gz XHYCLHWRSFFUKB-UHFFFAOYSA-N 0 0 536.650 3.444 50 0 KGAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(CCc1ccccc1)Cc1ccccc1 ZINC000038139404 554260369 /nfs/dbraw/zinc/26/03/69/554260369.db2.gz BKDBKMIQFGPGMU-UHFFFAOYSA-N 0 0 540.613 3.275 50 0 KGAARN COc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(C)c2c1 ZINC000038139412 554260360 /nfs/dbraw/zinc/26/03/60/554260360.db2.gz HIQITAVRMNVIKL-UHFFFAOYSA-N 0 0 534.569 3.076 50 0 KGAARN C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@H]4[C@@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O ZINC000038139432 554260426 /nfs/dbraw/zinc/26/04/26/554260426.db2.gz MYEJFUXQJGHEQK-KRWMJRNMSA-N 0 0 530.658 3.014 50 0 KGAARN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000038139436 554260628 /nfs/dbraw/zinc/26/06/28/554260628.db2.gz GJVAQJXAVRUOQT-UHFFFAOYSA-N 0 0 534.638 3.493 50 0 KGAARN Cc1ccc(C)c(SCC(=O)OCC(=O)NCCNC(=O)COC(=O)CSc2cc(C)ccc2C)c1 ZINC000038139451 554260630 /nfs/dbraw/zinc/26/06/30/554260630.db2.gz UFKAQLCUMBOILE-UHFFFAOYSA-N 0 0 532.684 3.123 50 0 KGAARN CC(C)CN(C(=O)COC(=O)c1ccccc1NCc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139554 554260877 /nfs/dbraw/zinc/26/08/77/554260877.db2.gz CIXCQOYCHYOLSN-UHFFFAOYSA-N 0 0 545.596 3.218 50 0 KGAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000038139611 554260846 /nfs/dbraw/zinc/26/08/46/554260846.db2.gz HVCOJAYYABUCJN-KRWDZBQOSA-N 0 0 538.464 3.476 50 0 KGAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000038139614 554260865 /nfs/dbraw/zinc/26/08/65/554260865.db2.gz HVCOJAYYABUCJN-QGZVFWFLSA-N 0 0 538.464 3.476 50 0 KGAARN CN(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139631 554261200 /nfs/dbraw/zinc/26/12/00/554261200.db2.gz UOEFLPDKPMZZGB-UHFFFAOYSA-N 0 0 548.983 3.219 50 0 KGAARN CCCCn1c(N)c(N(CCOC)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)c(=O)[nH]c1=O ZINC000038139634 554261133 /nfs/dbraw/zinc/26/11/33/554261133.db2.gz QBHFJBFVFJZBQI-UHFFFAOYSA-N 0 0 547.612 3.445 50 0 KGAARN CC(C)CN(C(=O)COC(=O)c1c2c(nc3ccccc31)CCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038139859 554261689 /nfs/dbraw/zinc/26/16/89/554261689.db2.gz GWHGYCWONNXGIV-UHFFFAOYSA-N 0 0 541.608 3.050 50 0 KGAARN COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000038140061 554262506 /nfs/dbraw/zinc/26/25/06/554262506.db2.gz ZXGIPJMCWZTGFW-ZEQRLZLVSA-N 0 0 544.693 3.090 50 0 biogenic KGAARN COc1ccc(C(=O)N/N=C/[C@]23CC[C@@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1 ZINC000038140243 554262473 /nfs/dbraw/zinc/26/24/73/554262473.db2.gz URYMLBRCBBBXTC-YRPQXPAVSA-N 0 0 552.668 3.124 50 0 biogenic KGAARN O=c1cc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2sc(-c3ccccc3F)nn21 ZINC000038140273 554262940 /nfs/dbraw/zinc/26/29/40/554262940.db2.gz KELZKPQXAWSFDV-UHFFFAOYSA-N 0 0 520.011 3.117 50 0 KGAARN COc1ccccc1-c1nn2c(nc(CN3CCN(C(=O)COc4ccccc4Cl)CC3)cc2=O)s1 ZINC000038140274 554262825 /nfs/dbraw/zinc/26/28/25/554262825.db2.gz PKQCUQBPODIFQM-UHFFFAOYSA-N 0 0 526.018 3.203 50 0 KGAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000038140289 554262838 /nfs/dbraw/zinc/26/28/38/554262838.db2.gz VFAWLHPUAWSITG-KJPXCWHJSA-N 0 0 532.666 3.171 50 0 biogenic KGAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000038140290 554262925 /nfs/dbraw/zinc/26/29/25/554262925.db2.gz VFAWLHPUAWSITG-PCWBSFAKSA-N 0 0 532.666 3.171 50 0 biogenic KGAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 ZINC000038140291 554262928 /nfs/dbraw/zinc/26/29/28/554262928.db2.gz VFAWLHPUAWSITG-WRSRFLKKSA-N 0 0 532.666 3.171 50 0 biogenic KGAARN CSCC[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 ZINC000038140292 554262882 /nfs/dbraw/zinc/26/28/82/554262882.db2.gz VFAWLHPUAWSITG-GFUVIIAASA-N 0 0 532.666 3.171 50 0 biogenic KGAARN COc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000038140306 554263066 /nfs/dbraw/zinc/26/30/66/554263066.db2.gz PVZBYDQBHWRHAE-UHFFFAOYSA-N 0 0 537.516 3.309 50 0 KGAARN CCCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000038140310 554263088 /nfs/dbraw/zinc/26/30/88/554263088.db2.gz SRBWLZUPZUQFLZ-UHFFFAOYSA-N 0 0 541.674 3.499 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)c(=O)[nH]c1=O ZINC000038140311 554263042 /nfs/dbraw/zinc/26/30/42/554263042.db2.gz RNQPZUBSBZGQOM-UHFFFAOYSA-N 0 0 541.674 3.355 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)[C@@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(=O)[nH]c1=O ZINC000038140315 554263070 /nfs/dbraw/zinc/26/30/70/554263070.db2.gz HLKSSBUQDLXMRG-OAHLLOKOSA-N 0 0 534.708 3.145 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H](C)SCc2nc3sc(C)c(C)c3c(=O)[nH]2)c(=O)[nH]c1=O ZINC000038140316 554263038 /nfs/dbraw/zinc/26/30/38/554263038.db2.gz HLKSSBUQDLXMRG-HNNXBMFYSA-N 0 0 534.708 3.145 50 0 KGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1=O ZINC000038140319 554263107 /nfs/dbraw/zinc/26/31/07/554263107.db2.gz BWTCYAHKGWKRIT-MHZLTWQESA-N 0 0 542.658 3.444 50 0 KGAARN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)C1=O ZINC000038140320 554263045 /nfs/dbraw/zinc/26/30/45/554263045.db2.gz BWTCYAHKGWKRIT-HHHXNRCGSA-N 0 0 542.658 3.444 50 0 KGAARN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)C2=O)cc1 ZINC000038140329 554263075 /nfs/dbraw/zinc/26/30/75/554263075.db2.gz ZGEKSBBSWYGBNC-HHHXNRCGSA-N 0 0 542.658 3.363 50 0 KGAARN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3OC(C)C)C2=O)cc1 ZINC000038140330 554263074 /nfs/dbraw/zinc/26/30/74/554263074.db2.gz ZGEKSBBSWYGBNC-MHZLTWQESA-N 0 0 542.658 3.363 50 0 KGAARN Cc1ccc(C(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1S(=O)(=O)N1CCCCC1 ZINC000038140433 554263673 /nfs/dbraw/zinc/26/36/73/554263673.db2.gz OFEGQHROWPOVOP-UHFFFAOYSA-N 0 0 529.036 3.022 50 0 KGAARN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000038140460 554263660 /nfs/dbraw/zinc/26/36/60/554263660.db2.gz DQSSOFJHFPOTQG-IBGZPJMESA-N 0 0 542.580 3.368 50 0 KGAARN O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000038140461 554263598 /nfs/dbraw/zinc/26/35/98/554263598.db2.gz DQSSOFJHFPOTQG-LJQANCHMSA-N 0 0 542.580 3.368 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)c(=O)[nH]c1=O ZINC000038140469 554263929 /nfs/dbraw/zinc/26/39/29/554263929.db2.gz VDJWHWJQNCPQRO-UHFFFAOYSA-N 0 0 541.674 3.437 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1 ZINC000038140476 554263952 /nfs/dbraw/zinc/26/39/52/554263952.db2.gz ZKOCAJIZMYTYLP-UHFFFAOYSA-N 0 0 530.628 3.003 50 0 KGAARN COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000038140486 554263980 /nfs/dbraw/zinc/26/39/80/554263980.db2.gz UFLKVIAUOKBOGN-UHFFFAOYSA-N 0 0 540.617 3.056 50 0 KGAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000038140487 554263912 /nfs/dbraw/zinc/26/39/12/554263912.db2.gz NXUOUZFSIKKYOH-HXUWFJFHSA-N 0 0 543.596 3.488 50 0 KGAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000038140488 554263846 /nfs/dbraw/zinc/26/38/46/554263846.db2.gz NXUOUZFSIKKYOH-FQEVSTJZSA-N 0 0 543.596 3.488 50 0 KGAARN COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(C)C ZINC000038140499 554263908 /nfs/dbraw/zinc/26/39/08/554263908.db2.gz TZDNQXHJIUCEPM-UPVQGACJSA-N 0 0 544.693 3.090 50 0 biogenic KGAARN CCOc1ccc(CCNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OCC ZINC000038140768 554264151 /nfs/dbraw/zinc/26/41/51/554264151.db2.gz WQDQHHINFFPIKJ-UHFFFAOYSA-N 0 0 546.686 3.404 50 0 KGAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)cs1 ZINC000038140779 554264222 /nfs/dbraw/zinc/26/42/22/554264222.db2.gz GWGLPOLYVCZUHV-UHFFFAOYSA-N 0 0 538.445 3.417 50 0 KGAARN CC(C)CN(C(=O)COC(=O)CCCc1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038140791 554264513 /nfs/dbraw/zinc/26/45/13/554264513.db2.gz XONUTGJWDZBUPM-UHFFFAOYSA-N 0 0 549.653 3.332 50 0 KGAARN CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1 ZINC000038140792 554264446 /nfs/dbraw/zinc/26/44/46/554264446.db2.gz ZRXFXNXZXIPTPP-UHFFFAOYSA-N 0 0 547.747 3.088 50 0 KGAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c1 ZINC000038140794 554264423 /nfs/dbraw/zinc/26/44/23/554264423.db2.gz YRLNDXMDFNJTSG-JOCHJYFZSA-N 0 0 537.642 3.218 50 0 KGAARN COc1cccc(NC(=O)CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCCC4)nc3O)cc2)c1 ZINC000038140795 554264529 /nfs/dbraw/zinc/26/45/29/554264529.db2.gz YRLNDXMDFNJTSG-QFIPXVFZSA-N 0 0 537.642 3.218 50 0 KGAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CSCC(=O)Nc2cccc(C)c2)c(=O)[nH]c1=O ZINC000038140807 554264458 /nfs/dbraw/zinc/26/44/58/554264458.db2.gz IMOPJBFKNPXFLT-UHFFFAOYSA-N 0 0 539.658 3.141 50 0 KGAARN O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000038140808 554264404 /nfs/dbraw/zinc/26/44/04/554264404.db2.gz JXODUFZUVUXSDI-UHFFFAOYSA-N 0 0 528.940 3.061 50 0 KGAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000038141525 554264887 /nfs/dbraw/zinc/26/48/87/554264887.db2.gz KKZXPKNNWWLGJN-HHHXNRCGSA-N 0 0 574.556 3.234 50 0 KGAARN COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N3)cc1OC ZINC000038141526 554264885 /nfs/dbraw/zinc/26/48/85/554264885.db2.gz KKZXPKNNWWLGJN-MHZLTWQESA-N 0 0 574.556 3.234 50 0 KGAARN CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@H]3CC=C4[C@H](CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C ZINC000038141744 554265161 /nfs/dbraw/zinc/26/51/61/554265161.db2.gz DGIGXLXLGBAJJN-CKWKLXOWSA-N 0 0 560.728 3.293 50 0 KGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000038144617 554266198 /nfs/dbraw/zinc/26/61/98/554266198.db2.gz PTILUJTVEPSKQN-UHFFFAOYSA-N 0 0 554.065 3.247 50 0 KGAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)N(Cc3ccncc3)C4=O)CC2)cc1 ZINC000038144620 554266149 /nfs/dbraw/zinc/26/61/49/554266149.db2.gz JUPKRAYQYDKUNL-UHFFFAOYSA-N 0 0 546.649 3.322 50 0 KGAARN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000038145494 554267380 /nfs/dbraw/zinc/26/73/80/554267380.db2.gz CXKDPEIDELMYIG-UHFFFAOYSA-N 0 0 599.779 3.414 50 0 KGAARN COc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000038145711 554267640 /nfs/dbraw/zinc/26/76/40/554267640.db2.gz MDDJPNBKUBXBCB-UHFFFAOYSA-N 0 0 544.626 3.284 50 0 KGAARN CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C ZINC000038145825 554268126 /nfs/dbraw/zinc/26/81/26/554268126.db2.gz MKNLDYHRVJHSHU-UHFFFAOYSA-N 0 0 543.624 3.432 50 0 KGAARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000038145845 554268290 /nfs/dbraw/zinc/26/82/90/554268290.db2.gz HYYNUHRATCNMRA-UHFFFAOYSA-N 0 0 548.640 3.459 50 0 KGAARN COc1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc(Cl)c1OC ZINC000038145886 554268529 /nfs/dbraw/zinc/26/85/29/554268529.db2.gz PRICAQRXQNTVFB-SOFGYWHQSA-N 0 0 537.034 3.064 50 0 KGAARN COc1ccc(N2C(=O)c3ccccc3/C(=C\NNS(=O)(=O)c3cc(C)ccc3C)C2=O)cc1OC ZINC000038146206 554269532 /nfs/dbraw/zinc/26/95/32/554269532.db2.gz SKFOVNFLUGXEKS-RCCKNPSSSA-N 0 0 507.568 3.332 50 0 KGAARN O=C(NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000038146227 554269844 /nfs/dbraw/zinc/26/98/44/554269844.db2.gz LTNMGTUDIQIHLM-UHFFFAOYSA-N 0 0 564.733 3.129 50 0 KGAARN O=C1CCCN1CCCNc1nc2c(S(=O)(=O)c3ccc(Br)cc3)nnn2c2ccccc21 ZINC000038146970 554269841 /nfs/dbraw/zinc/26/98/41/554269841.db2.gz ALPBOUKITXBOCV-UHFFFAOYSA-N 0 0 529.420 3.297 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)c(OC)c1 ZINC000038147004 554270233 /nfs/dbraw/zinc/27/02/33/554270233.db2.gz SWMROFPDELSDBZ-UHFFFAOYSA-N 0 0 562.026 3.135 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)cc1Cl ZINC000038147028 554270180 /nfs/dbraw/zinc/27/01/80/554270180.db2.gz AOJBMXJNBHESCG-UHFFFAOYSA-N 0 0 552.971 3.442 50 0 KGAARN CCN(CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21)c1ccccc1 ZINC000038147042 554270166 /nfs/dbraw/zinc/27/01/66/554270166.db2.gz HPCKSAFKBMIFMK-UHFFFAOYSA-N 0 0 543.624 3.166 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3c2=O)cc1Cl ZINC000038147068 554270108 /nfs/dbraw/zinc/27/01/08/554270108.db2.gz BHUDBFKLUMEWJT-UHFFFAOYSA-N 0 0 550.999 3.154 50 0 KGAARN O=C(NCC1N=NC(=S)N1c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000038148314 554270485 /nfs/dbraw/zinc/27/04/85/554270485.db2.gz RGEFBJMDXICJRS-UHFFFAOYSA-N 0 0 536.477 3.423 50 0 KGAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000038150020 554270879 /nfs/dbraw/zinc/27/08/79/554270879.db2.gz NQGFELFASZEDON-IBGZPJMESA-N 0 0 540.642 3.220 50 0 KGAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NC[C@H]2CCCO2)c(OC)c1 ZINC000038150021 554270883 /nfs/dbraw/zinc/27/08/83/554270883.db2.gz NQGFELFASZEDON-LJQANCHMSA-N 0 0 540.642 3.220 50 0 KGAARN COCCNC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(Cc1ccco1)c2=O ZINC000038150026 554270886 /nfs/dbraw/zinc/27/08/86/554270886.db2.gz YIWOKLYPOFGRJO-UHFFFAOYSA-N 0 0 552.609 3.162 50 0 KGAARN COc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1OC ZINC000038150046 554271208 /nfs/dbraw/zinc/27/12/08/554271208.db2.gz JMLRJTDEIQTOOL-UHFFFAOYSA-N 0 0 562.648 3.307 50 0 KGAARN COc1ccc(CN2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C)cc4)cc3)CC2)c(OC)c1OC ZINC000038150048 554271259 /nfs/dbraw/zinc/27/12/59/554271259.db2.gz RDSSXTFFZIQXFY-UHFFFAOYSA-N 0 0 553.681 3.457 50 0 KGAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000038150061 554271233 /nfs/dbraw/zinc/27/12/33/554271233.db2.gz ZEWXXHRGZPMWLL-KNQAVFIVSA-N 0 0 546.624 3.118 50 0 KGAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(Br)o2)c1 ZINC000038150064 554271271 /nfs/dbraw/zinc/27/12/71/554271271.db2.gz CVGDOVWPGVQUHZ-AEFFLSMTSA-N 0 0 555.429 3.456 50 0 KGAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)cc2)cc1OC ZINC000038151020 554271509 /nfs/dbraw/zinc/27/15/09/554271509.db2.gz QYLABLGNELJXFR-UHFFFAOYSA-N 0 0 539.610 3.254 50 0 KGAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c2ccc(F)cc2)cc1 ZINC000038151031 554271821 /nfs/dbraw/zinc/27/18/21/554271821.db2.gz OXELLXWHOPASHM-UHFFFAOYSA-N 0 0 527.574 3.141 50 0 KGAARN O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000038151080 554271691 /nfs/dbraw/zinc/27/16/91/554271691.db2.gz NUQRZCQCNZXQOX-UHFFFAOYSA-N 0 0 527.521 3.028 50 0 KGAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000038151093 554271701 /nfs/dbraw/zinc/27/17/01/554271701.db2.gz RNYLDQZIDITITG-UHFFFAOYSA-N 0 0 544.413 3.154 50 0 KGAARN CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1[C@@H](CC)N(C)C ZINC000038151094 554271659 /nfs/dbraw/zinc/27/16/59/554271659.db2.gz ZKMJRPPMUHAAQX-HXUWFJFHSA-N 0 0 538.740 3.151 50 0 KGAARN CCCCn1c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)nnc1[C@H](CC)N(C)C ZINC000038151095 554271799 /nfs/dbraw/zinc/27/17/99/554271799.db2.gz ZKMJRPPMUHAAQX-FQEVSTJZSA-N 0 0 538.740 3.151 50 0 KGAARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000038151099 554271788 /nfs/dbraw/zinc/27/17/88/554271788.db2.gz LUZLBCIQVAOQOX-UHFFFAOYSA-N 0 0 528.581 3.186 50 0 KGAARN Cc1ccc(-c2cc(C(=O)OCC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c3ccccc3n2)o1 ZINC000038152199 554271938 /nfs/dbraw/zinc/27/19/38/554271938.db2.gz HJSKSSMQSXETFN-UHFFFAOYSA-N 0 0 539.548 3.104 50 0 KGAARN COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1OC ZINC000038152201 554272023 /nfs/dbraw/zinc/27/20/23/554272023.db2.gz NGRLJNDSHXZAFI-OAQYLSRUSA-N 0 0 540.642 3.407 50 0 KGAARN COc1ccc(CN(C)C(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3O)cc2)c(OC)c1OC ZINC000038152202 554271963 /nfs/dbraw/zinc/27/19/63/554271963.db2.gz NGRLJNDSHXZAFI-NRFANRHFSA-N 0 0 540.642 3.407 50 0 KGAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 ZINC000038152206 554271948 /nfs/dbraw/zinc/27/19/48/554271948.db2.gz SIKPENHLXVDOSV-UHFFFAOYSA-N 0 0 537.480 3.319 50 0 KGAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(S(=O)(=O)NCc4ccccc4)ccc3C)CC2)c1 ZINC000038152238 554272324 /nfs/dbraw/zinc/27/23/24/554272324.db2.gz LSZYGJKNNLPIES-UHFFFAOYSA-N 0 0 541.695 3.237 50 0 KGAARN CC(C)CN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152304 554272523 /nfs/dbraw/zinc/27/25/23/554272523.db2.gz DKZZRYCJAQWEST-UHFFFAOYSA-N 0 0 541.004 3.016 50 0 KGAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000038152369 554272823 /nfs/dbraw/zinc/27/28/23/554272823.db2.gz XDVOTIHQLQQIPJ-FQEVSTJZSA-N 0 0 531.622 3.357 50 0 KGAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000038152370 554272750 /nfs/dbraw/zinc/27/27/50/554272750.db2.gz XDVOTIHQLQQIPJ-HXUWFJFHSA-N 0 0 531.622 3.357 50 0 KGAARN COc1cc2ccccc2cc1C(=O)OCC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000038152758 554272858 /nfs/dbraw/zinc/27/28/58/554272858.db2.gz GPQWLVYOSNEIOJ-UHFFFAOYSA-N 0 0 530.581 3.175 50 0 KGAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c43)C2=O)c1 ZINC000038152764 554272762 /nfs/dbraw/zinc/27/27/62/554272762.db2.gz RPDWLEWZNUUWFB-UHFFFAOYSA-N 0 0 528.970 3.455 50 0 KGAARN COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c(OC)c1OC ZINC000038152766 554272833 /nfs/dbraw/zinc/27/28/33/554272833.db2.gz ZTXMZYMHSUHPTM-UHFFFAOYSA-N 0 0 539.654 3.496 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c(=O)[nH]c1=O ZINC000038152775 554273029 /nfs/dbraw/zinc/27/30/29/554273029.db2.gz ATFOHRTZYPPJOM-UHFFFAOYSA-N 0 0 541.674 3.355 50 0 KGAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000038152785 554273098 /nfs/dbraw/zinc/27/30/98/554273098.db2.gz TWXXVVBHTURDFD-IBGZPJMESA-N 0 0 531.622 3.357 50 0 KGAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000038152786 554273120 /nfs/dbraw/zinc/27/31/20/554273120.db2.gz TWXXVVBHTURDFD-LJQANCHMSA-N 0 0 531.622 3.357 50 0 KGAARN O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1c(Cl)cccc1C(F)(F)F ZINC000038152798 554273117 /nfs/dbraw/zinc/27/31/17/554273117.db2.gz HXGZQYVBZUMUDK-UHFFFAOYSA-N 0 0 524.876 3.314 50 0 KGAARN CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCCCN2CCOCC2)c2ccccc21 ZINC000038152815 554273460 /nfs/dbraw/zinc/27/34/60/554273460.db2.gz MZSBOCUDCYSOQL-ULJHMMPZSA-N 0 0 550.656 3.296 50 0 KGAARN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000038152909 554273473 /nfs/dbraw/zinc/27/34/73/554273473.db2.gz DFOSWWAVLWHXHL-UHFFFAOYSA-N 0 0 560.676 3.068 50 0 KGAARN CCOC(=O)CC(=O)C[C@H](O)C=Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C ZINC000038390944 554274686 /nfs/dbraw/zinc/27/46/86/554274686.db2.gz ABQHNLSQARCFAU-IENJSVCTSA-N 0 0 507.584 3.088 50 0 KGAARN CN(CCCNC(=O)C1=NOC2(C1)CCN(S(=O)(=O)c1ccc(Cl)s1)CC2)c1ccccc1 ZINC000038405901 554274665 /nfs/dbraw/zinc/27/46/65/554274665.db2.gz RQPTVOACPLFGAN-UHFFFAOYSA-N 0 0 511.069 3.344 50 0 KGAARN CN1CCN(c2nc3ccc(NC(=O)[C@@H]4CCCN(S(=O)(=O)c5cccs5)C4)cc3s2)CC1 ZINC000038511483 554274975 /nfs/dbraw/zinc/27/49/75/554274975.db2.gz HPZYDGLUMMRNNI-MRXNPFEDSA-N 0 0 505.691 3.149 50 0 KGAARN CN1CCN(c2nc3ccc(NC(=O)[C@H]4CCCN(S(=O)(=O)c5cccs5)C4)cc3s2)CC1 ZINC000038511485 554274883 /nfs/dbraw/zinc/27/48/83/554274883.db2.gz HPZYDGLUMMRNNI-INIZCTEOSA-N 0 0 505.691 3.149 50 0 KGAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3cc(O)c2[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000038549503 554275180 /nfs/dbraw/zinc/27/51/80/554275180.db2.gz JLRGPGPLPCPPTH-DEOSSOPVSA-N 0 0 511.328 3.298 50 0 biogenic KGAARN COCCOC(=O)C1=C(N)Oc2c3ccccc3cc(O)c2[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000038549505 554275126 /nfs/dbraw/zinc/27/51/26/554275126.db2.gz JLRGPGPLPCPPTH-XMMPIXPASA-N 0 0 511.328 3.298 50 0 biogenic KGAARN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[nH]c(=O)c21 ZINC000038828131 554277871 /nfs/dbraw/zinc/27/78/71/554277871.db2.gz JCSCQHBNFANYBY-IBGZPJMESA-N 0 0 501.543 3.022 50 0 KGAARN 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CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)cc21 ZINC000040450846 554285981 /nfs/dbraw/zinc/28/59/81/554285981.db2.gz DVPGFXJZSHCOOD-UHFFFAOYSA-N 0 0 520.449 3.075 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NC(C)(C)C)CC3)cc21 ZINC000040450847 554285945 /nfs/dbraw/zinc/28/59/45/554285945.db2.gz YLSFVAOUQYAXCJ-UHFFFAOYSA-N 0 0 500.459 3.064 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NC4CCCC4)CC3)cc21 ZINC000040450848 554285915 /nfs/dbraw/zinc/28/59/15/554285915.db2.gz QFXQSXMUVCLVLC-UHFFFAOYSA-N 0 0 512.470 3.208 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCCC(C)C)CC3)cc21 ZINC000040450852 554285949 /nfs/dbraw/zinc/28/59/49/554285949.db2.gz MOXBGHYSJCRHLV-UHFFFAOYSA-N 0 0 514.486 3.311 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N(CC)CC)CC3)cc21 ZINC000040450855 554286091 /nfs/dbraw/zinc/28/60/91/554286091.db2.gz IUODCVRDOROBPE-UHFFFAOYSA-N 0 0 500.459 3.017 50 0 KGAARN CCCCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)CC1 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/nfs/dbraw/zinc/32/92/83/554329283.db2.gz GUOSZPCCCLXSLC-UHFFFAOYSA-N 0 0 504.674 3.249 50 0 KGAARN CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C\c4ccccc4Br)sc3=N[C@@]12c1ccccc1 ZINC000053275967 554330652 /nfs/dbraw/zinc/33/06/52/554330652.db2.gz UJXGQTSCGXDWSB-IPDKQNQHSA-N 0 0 560.477 3.381 50 0 KGAARN CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(=O)/c(=C/c4ccccc4Br)sc3=N[C@@]12c1ccccc1 ZINC000053275968 554330669 /nfs/dbraw/zinc/33/06/69/554330669.db2.gz UJXGQTSCGXDWSB-COIWSGPDSA-N 0 0 560.477 3.381 50 0 KGAARN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3cc(Br)c(O)c(OC)c3)sc2=N[C@H]1c1ccc(O)c(OC)c1 ZINC000053288148 554331000 /nfs/dbraw/zinc/33/10/00/554331000.db2.gz AGLKALMWFDJORG-KEBMYNNESA-N 0 0 575.437 3.098 50 0 KGAARN CCOC(=O)C1=C(C)n2c(=O)/c(=C\c3cc(Br)c(O)c(OC)c3)sc2=N[C@@H]1c1ccc(O)c(OC)c1 ZINC000053288153 554330933 /nfs/dbraw/zinc/33/09/33/554330933.db2.gz AGLKALMWFDJORG-IDQDRXHYSA-N 0 0 575.437 3.098 50 0 KGAARN CCOc1cc(-c2nc3c(c(=O)[nH]c(=O)n3CCOC)n2Cc2ccccc2)cc(Br)c1OC ZINC000053356119 554344607 /nfs/dbraw/zinc/34/46/07/554344607.db2.gz PIRXAKFAYYENCE-UHFFFAOYSA-N 0 0 529.391 3.418 50 0 KGAARN COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C)c(Cl)c1)n(CCN1CCOCC1)c2=O ZINC000053366303 554347569 /nfs/dbraw/zinc/34/75/69/554347569.db2.gz QEUXPDFPKRJOMK-UHFFFAOYSA-N 0 0 531.034 3.208 50 0 KGAARN COCCn1cnc2c1c(=O)n(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000053392529 554348771 /nfs/dbraw/zinc/34/87/71/554348771.db2.gz VVHAMLVYBDIXKZ-UHFFFAOYSA-N 0 0 537.620 3.283 50 0 KGAARN CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 ZINC000053683151 554348794 /nfs/dbraw/zinc/34/87/94/554348794.db2.gz OZVBMTJYIDMWIL-AYFBDAFISA-N 0 0 654.606 3.193 50 0 fda KGAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)[nH]c1=O ZINC000056895979 554350995 /nfs/dbraw/zinc/35/09/95/554350995.db2.gz SNLFDNZGDWLQOA-UHFFFAOYSA-N 0 0 517.392 3.240 50 0 KGAARN COc1ccccc1N1CCN([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc2)CC1 ZINC000056896222 554350986 /nfs/dbraw/zinc/35/09/86/554350986.db2.gz FUXHVGIUGFALGR-QHCPKHFHSA-N 0 0 506.603 3.409 50 0 KGAARN COc1ccccc1N1CCN([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc2)CC1 ZINC000056896224 554351081 /nfs/dbraw/zinc/35/10/81/554351081.db2.gz FUXHVGIUGFALGR-HSZRJFAPSA-N 0 0 506.603 3.409 50 0 KGAARN Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000056918677 554351409 /nfs/dbraw/zinc/35/14/09/554351409.db2.gz YQAOVCSUQTUDKH-UHFFFAOYSA-N 0 0 513.429 3.111 50 0 KGAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945581 554351330 /nfs/dbraw/zinc/35/13/30/554351330.db2.gz LCHUDMHVPFINHM-VWLOTQADSA-N 0 0 503.578 3.238 50 0 aggregator KGAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 ZINC000056945582 554351446 /nfs/dbraw/zinc/35/14/46/554351446.db2.gz LCHUDMHVPFINHM-RUZDIDTESA-N 0 0 503.578 3.238 50 0 aggregator KGAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945843 554351289 /nfs/dbraw/zinc/35/12/89/554351289.db2.gz FIZURMAINAWCJS-VWLOTQADSA-N 0 0 503.578 3.238 50 0 KGAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 ZINC000056945844 554351405 /nfs/dbraw/zinc/35/14/05/554351405.db2.gz FIZURMAINAWCJS-RUZDIDTESA-N 0 0 503.578 3.238 50 0 KGAARN Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O ZINC000056966675 554351618 /nfs/dbraw/zinc/35/16/18/554351618.db2.gz GPMPUSATKKADKG-UHFFFAOYSA-N 0 0 513.429 3.111 50 0 KGAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000057010849 554351641 /nfs/dbraw/zinc/35/16/41/554351641.db2.gz ALXLHZPGFNDITL-UHFFFAOYSA-N 0 0 513.429 3.111 50 0 KGAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000057010866 554351616 /nfs/dbraw/zinc/35/16/16/554351616.db2.gz PEHCTHHMAOUCNU-UHFFFAOYSA-N 0 0 513.429 3.111 50 0 KGAARN Cn1c2nc(CN3CCN(c4ccccc4F)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000057010900 554351648 /nfs/dbraw/zinc/35/16/48/554351648.db2.gz ICUPWCKQZMATMS-UHFFFAOYSA-N 0 0 512.589 3.097 50 0 KGAARN Cn1c2nc(CN3CCN(c4ccc(F)cc4)CC3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000057010903 554351614 /nfs/dbraw/zinc/35/16/14/554351614.db2.gz KEUWHHGBBQIYKW-UHFFFAOYSA-N 0 0 512.589 3.097 50 0 KGAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000057010909 554351686 /nfs/dbraw/zinc/35/16/86/554351686.db2.gz WCDBGQIBKSOVMP-UHFFFAOYSA-N 0 0 513.429 3.111 50 0 KGAARN Cn1c2nc(CN3CCN(c4ccccc4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000057010916 554351621 /nfs/dbraw/zinc/35/16/21/554351621.db2.gz DSGRIQGBIHYRTA-UHFFFAOYSA-N 0 0 513.429 3.111 50 0 KGAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(c2ccccc2OC)CC1 ZINC000057050727 554352000 /nfs/dbraw/zinc/35/20/00/554352000.db2.gz UBSHSPGNGRHIMO-UHFFFAOYSA-N 0 0 501.381 3.486 50 0 KGAARN Cn1c2nc(CN3CCN(c4cccc(Cl)c4)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000057122050 554352813 /nfs/dbraw/zinc/35/28/13/554352813.db2.gz IOXLILKUHKHBIF-UHFFFAOYSA-N 0 0 507.038 3.042 50 0 KGAARN COc1cc(Cc2ccc(NC(=O)CSc3nncn3C)c(OC)c2)ccc1NC(=O)CSc1nncn1C ZINC000059089645 554372186 /nfs/dbraw/zinc/37/21/86/554372186.db2.gz FANJFICACWYOJT-UHFFFAOYSA-N 0 0 568.685 3.013 50 0 KGAARN COc1ccc(NC(=O)c2ccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c(OC)c1 ZINC000059101245 554377523 /nfs/dbraw/zinc/37/75/23/554377523.db2.gz ONMALTHBAFQVKL-XMMPIXPASA-N 0 0 544.568 3.246 50 0 biogenic KGAARN COc1ccc(NC(=O)c2ccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)c(OC)c1 ZINC000059101248 554377579 /nfs/dbraw/zinc/37/75/79/554377579.db2.gz ONMALTHBAFQVKL-DEOSSOPVSA-N 0 0 544.568 3.246 50 0 biogenic KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101644 554377815 /nfs/dbraw/zinc/37/78/15/554377815.db2.gz ZHXIUDWJNIUPIN-AREMUKBSSA-N 0 0 571.613 3.078 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)cc1)N(C)CC3)OCO2 ZINC000059101647 554377812 /nfs/dbraw/zinc/37/78/12/554377812.db2.gz ZHXIUDWJNIUPIN-SANMLTNESA-N 0 0 571.613 3.078 50 0 biogenic KGAARN CCOC(=O)c1cccc(NC(=O)c2cccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1 ZINC000059101810 554378033 /nfs/dbraw/zinc/37/80/33/554378033.db2.gz BJSYQEPKTZFMLV-DEOSSOPVSA-N 0 0 556.579 3.406 50 0 biogenic KGAARN CCOC(=O)c1cccc(NC(=O)c2cccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c2)c1 ZINC000059101813 554378114 /nfs/dbraw/zinc/37/81/14/554378114.db2.gz BJSYQEPKTZFMLV-XMMPIXPASA-N 0 0 556.579 3.406 50 0 biogenic KGAARN COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c1)N(C)CC3)OCO2 ZINC000059101901 554378023 /nfs/dbraw/zinc/37/80/23/554378023.db2.gz PWCYIIBPFNUUKQ-AREMUKBSSA-N 0 0 571.613 3.078 50 0 biogenic KGAARN COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c1)N(C)CC3)OCO2 ZINC000059101904 554378014 /nfs/dbraw/zinc/37/80/14/554378014.db2.gz PWCYIIBPFNUUKQ-SANMLTNESA-N 0 0 571.613 3.078 50 0 biogenic KGAARN COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)cc1 ZINC000059192678 554384438 /nfs/dbraw/zinc/38/44/38/554384438.db2.gz QYCOBOGWOMXAAF-UHFFFAOYSA-N 0 0 565.437 3.326 50 0 KGAARN CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000059303195 554388007 /nfs/dbraw/zinc/38/80/07/554388007.db2.gz AZDNCEYOFMNMSH-NNIGNNQHSA-N 0 0 572.847 3.395 50 0 KGAARN Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)N1CCN(c2ccccc2)CC1 ZINC000059503764 554399887 /nfs/dbraw/zinc/39/98/87/554399887.db2.gz UEVOSRKVDNUFCN-UHFFFAOYSA-N 0 0 566.083 3.226 50 0 KGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)c1 ZINC000059504103 554400484 /nfs/dbraw/zinc/40/04/84/554400484.db2.gz LAMPSABFRQDAKC-GASCZTMLSA-N 0 0 534.660 3.089 50 0 KGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)c1 ZINC000059504106 554400513 /nfs/dbraw/zinc/40/05/13/554400513.db2.gz LAMPSABFRQDAKC-GJZGRUSLSA-N 0 0 534.660 3.089 50 0 KGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)c1 ZINC000059504110 554400572 /nfs/dbraw/zinc/40/05/72/554400572.db2.gz LAMPSABFRQDAKC-HUUCEWRRSA-N 0 0 534.660 3.089 50 0 KGAARN CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccccn4)cc(C(=O)NCCCN4CCOCC4)c3c2)CC1 ZINC000059514514 554401568 /nfs/dbraw/zinc/40/15/68/554401568.db2.gz UEEHCKFENYQUMM-UHFFFAOYSA-N 0 0 537.686 3.170 50 0 KGAARN COc1ccc(C)cc1NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O ZINC000059515080 554402223 /nfs/dbraw/zinc/40/22/23/554402223.db2.gz UKZJTBADAGWDBW-UHFFFAOYSA-N 0 0 597.719 3.242 50 0 KGAARN CCC(=O)N1CCc2cc(S(=O)(=O)N(c3cccnc3)S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CC)ccc21 ZINC000059521980 554403362 /nfs/dbraw/zinc/40/33/62/554403362.db2.gz RAAIKXPENSUYCC-UHFFFAOYSA-N 0 0 568.677 3.264 50 0 KGAARN O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000059522175 554403307 /nfs/dbraw/zinc/40/33/07/554403307.db2.gz PHYABRXWIITFIR-UHFFFAOYSA-N 0 0 526.954 3.381 50 0 KGAARN O=C(c1ccco1)N1CCN(c2nc3c(S(=O)(=O)c4ccc(Br)cc4)nnn3c3ccccc32)CC1 ZINC000059522902 554403942 /nfs/dbraw/zinc/40/39/42/554403942.db2.gz VWHCARWPTCMCOK-UHFFFAOYSA-N 0 0 567.425 3.428 50 0 KGAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c(=O)c32)CC1 ZINC000059523447 554404590 /nfs/dbraw/zinc/40/45/90/554404590.db2.gz BNWWNJOUZMXGGH-IRFCIJBXSA-N 0 0 587.768 3.227 50 0 KGAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c32)CC1 ZINC000059523458 554404606 /nfs/dbraw/zinc/40/46/06/554404606.db2.gz BNWWNJOUZMXGGH-SVFBPWRDSA-N 0 0 587.768 3.227 50 0 KGAARN COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NC4CCCCCC4)c(=O)c32)CC1 ZINC000059523469 554404631 /nfs/dbraw/zinc/40/46/31/554404631.db2.gz PIUZZNBJKVUJGN-UHFFFAOYSA-N 0 0 573.741 3.125 50 0 KGAARN CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCCN4CCOCC4)c3c2)CC1 ZINC000059524255 554405368 /nfs/dbraw/zinc/40/53/68/554405368.db2.gz LAHQTHNUCAJION-UHFFFAOYSA-N 0 0 537.686 3.170 50 0 KGAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3c2=O)cc1OC ZINC000059524716 554405867 /nfs/dbraw/zinc/40/58/67/554405867.db2.gz WHQYGCKPIOPJIP-GASCZTMLSA-N 0 0 534.660 3.089 50 0 KGAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3c2=O)cc1OC ZINC000059524719 554405876 /nfs/dbraw/zinc/40/58/76/554405876.db2.gz WHQYGCKPIOPJIP-GJZGRUSLSA-N 0 0 534.660 3.089 50 0 KGAARN COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3c2=O)cc1OC ZINC000059524722 554405899 /nfs/dbraw/zinc/40/58/99/554405899.db2.gz WHQYGCKPIOPJIP-HUUCEWRRSA-N 0 0 534.660 3.089 50 0 KGAARN O=C(Cn1c(=O)n(CCC(=O)N2CCc3ccccc3C2)c(=O)c2ccccc21)NCc1ccccc1Cl ZINC000059524846 554406201 /nfs/dbraw/zinc/40/62/01/554406201.db2.gz SRUVJNYVKDSZIO-UHFFFAOYSA-N 0 0 531.012 3.108 50 0 KGAARN O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1)NCCc1ccccc1 ZINC000059524851 554406135 /nfs/dbraw/zinc/40/61/35/554406135.db2.gz PCKVYMDHUPIWBS-UHFFFAOYSA-N 0 0 557.610 3.110 50 0 KGAARN COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1OC ZINC000059560490 554407173 /nfs/dbraw/zinc/40/71/73/554407173.db2.gz GZCXSBHZCOUDSI-UHFFFAOYSA-N 0 0 505.600 3.102 50 0 KGAARN CCOc1ccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5cccc(OC)c5)sc4n3)CC2)cc1 ZINC000059560492 554407090 /nfs/dbraw/zinc/40/70/90/554407090.db2.gz YIVYBAXTFIKHBK-UHFFFAOYSA-N 0 0 505.600 3.183 50 0 KGAARN CC1=C(C(=O)Nc2ccc(I)cc2)[C@H](c2ccc3c(c2)OCO3)n2nc(CCCO)nc2N1 ZINC000059587061 554407677 /nfs/dbraw/zinc/40/76/77/554407677.db2.gz CWKNFYKNEWOTTC-NRFANRHFSA-N 0 0 559.364 3.464 50 0 KGAARN COc1ccc(OC)c(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000059595586 554407929 /nfs/dbraw/zinc/40/79/29/554407929.db2.gz XXKLTFPRCHRHMF-UHFFFAOYSA-N 0 0 573.643 3.404 50 0 KGAARN COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(I)cc3C)n2C)cc1OC ZINC000059595604 554408017 /nfs/dbraw/zinc/40/80/17/554408017.db2.gz JJFLHBKHAOHQLE-UHFFFAOYSA-N 0 0 581.436 3.406 50 0 KGAARN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccc(Cl)c2)cc1 ZINC000059595685 554408220 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CCn1c(=O)c(-c2noc(CCC(=O)N(C)c3ccc(C)c(C)c3)n2)nn(-c2ccc(Cl)cc2)c1=O ZINC000064888415 554519598 /nfs/dbraw/zinc/51/95/98/554519598.db2.gz IBTIWDNLFKSEPR-UHFFFAOYSA-N 0 0 508.966 3.330 50 0 KGAARN CCN(C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1)c1cccc(C)c1 ZINC000064888417 554519530 /nfs/dbraw/zinc/51/95/30/554519530.db2.gz JLGZSWDWBULZND-UHFFFAOYSA-N 0 0 508.966 3.412 50 0 KGAARN CCN(C(=O)CCc1nc(-c2nn(-c3ccc(Cl)cc3)c(=O)n(CC)c2=O)no1)c1ccccc1C ZINC000064888418 554519595 /nfs/dbraw/zinc/51/95/95/554519595.db2.gz PBOHJTWNHJIMQC-UHFFFAOYSA-N 0 0 508.966 3.412 50 0 KGAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064941232 554520418 /nfs/dbraw/zinc/52/04/18/554520418.db2.gz NFVJWBUCZUKNGL-QGZVFWFLSA-N 0 0 500.558 3.248 50 0 KGAARN CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000064941236 554520459 /nfs/dbraw/zinc/52/04/59/554520459.db2.gz NFVJWBUCZUKNGL-KRWDZBQOSA-N 0 0 500.558 3.248 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953068 554520728 /nfs/dbraw/zinc/52/07/28/554520728.db2.gz OJZFWIROZXPSEG-NDEPHWFRSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953071 554520734 /nfs/dbraw/zinc/52/07/34/554520734.db2.gz OJZFWIROZXPSEG-MUUNZHRXSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953112 554520722 /nfs/dbraw/zinc/52/07/22/554520722.db2.gz JAAFHGSGOVXVFS-LJAQVGFWSA-N 0 0 501.631 3.413 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953113 554520621 /nfs/dbraw/zinc/52/06/21/554520621.db2.gz JAAFHGSGOVXVFS-GDLZYMKVSA-N 0 0 501.631 3.413 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953119 554520678 /nfs/dbraw/zinc/52/06/78/554520678.db2.gz VGGMSIFEORTZEV-NDEPHWFRSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953120 554520716 /nfs/dbraw/zinc/52/07/16/554520716.db2.gz VGGMSIFEORTZEV-MUUNZHRXSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953159 554520726 /nfs/dbraw/zinc/52/07/26/554520726.db2.gz OSTJSLDKNDMRLP-LJAQVGFWSA-N 0 0 517.630 3.461 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953162 554520669 /nfs/dbraw/zinc/52/06/69/554520669.db2.gz OSTJSLDKNDMRLP-GDLZYMKVSA-N 0 0 517.630 3.461 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953163 554520660 /nfs/dbraw/zinc/52/06/60/554520660.db2.gz LNSHGMGUKWJPBE-LJAQVGFWSA-N 0 0 517.630 3.461 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953165 554520741 /nfs/dbraw/zinc/52/07/41/554520741.db2.gz LNSHGMGUKWJPBE-GDLZYMKVSA-N 0 0 517.630 3.461 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953179 554520885 /nfs/dbraw/zinc/52/08/85/554520885.db2.gz FNIZHESTLITFIZ-LJAQVGFWSA-N 0 0 533.629 3.080 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OC)cc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953181 554520951 /nfs/dbraw/zinc/52/09/51/554520951.db2.gz FNIZHESTLITFIZ-GDLZYMKVSA-N 0 0 533.629 3.080 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953189 554520945 /nfs/dbraw/zinc/52/09/45/554520945.db2.gz YTWLEXNKYRCBGG-LJAQVGFWSA-N 0 0 533.629 3.080 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3cc(OC)ccc3OC)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953191 554520964 /nfs/dbraw/zinc/52/09/64/554520964.db2.gz YTWLEXNKYRCBGG-GDLZYMKVSA-N 0 0 533.629 3.080 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953312 554520966 /nfs/dbraw/zinc/52/09/66/554520966.db2.gz KSJWMNDGYBDZLO-NDEPHWFRSA-N 0 0 505.594 3.244 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953315 554520888 /nfs/dbraw/zinc/52/08/88/554520888.db2.gz KSJWMNDGYBDZLO-MUUNZHRXSA-N 0 0 505.594 3.244 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953359 554520893 /nfs/dbraw/zinc/52/08/93/554520893.db2.gz OGYXLQGSPWEOPW-NDEPHWFRSA-N 0 0 521.593 3.292 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953361 554520996 /nfs/dbraw/zinc/52/09/96/554520996.db2.gz OGYXLQGSPWEOPW-MUUNZHRXSA-N 0 0 521.593 3.292 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953363 554520900 /nfs/dbraw/zinc/52/09/00/554520900.db2.gz YZQLBPMBCXKKSB-NDEPHWFRSA-N 0 0 521.593 3.292 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(OCC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953364 554520960 /nfs/dbraw/zinc/52/09/60/554520960.db2.gz YZQLBPMBCXKKSB-MUUNZHRXSA-N 0 0 521.593 3.292 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(CC)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953377 554520981 /nfs/dbraw/zinc/52/09/81/554520981.db2.gz WXTWWMRTHJDJIL-NDEPHWFRSA-N 0 0 505.594 3.456 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(CC)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1 ZINC000064953380 554520993 /nfs/dbraw/zinc/52/09/93/554520993.db2.gz WXTWWMRTHJDJIL-MUUNZHRXSA-N 0 0 505.594 3.456 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(Cl)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953412 554521234 /nfs/dbraw/zinc/52/12/34/554521234.db2.gz SWRQHNHVFRPHCH-MHZLTWQESA-N 0 0 524.021 3.416 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(Cl)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953413 554521181 /nfs/dbraw/zinc/52/11/81/554521181.db2.gz SWRQHNHVFRPHCH-HHHXNRCGSA-N 0 0 524.021 3.416 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3Cl)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953428 554521196 /nfs/dbraw/zinc/52/11/96/554521196.db2.gz KKXVSAYWNJMZHL-MHZLTWQESA-N 0 0 524.021 3.416 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3Cl)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953429 554521232 /nfs/dbraw/zinc/52/12/32/554521232.db2.gz KKXVSAYWNJMZHL-HHHXNRCGSA-N 0 0 524.021 3.416 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953447 554521198 /nfs/dbraw/zinc/52/11/98/554521198.db2.gz PDKIQEDUDJXWDS-NDEPHWFRSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953450 554521132 /nfs/dbraw/zinc/52/11/32/554521132.db2.gz PDKIQEDUDJXWDS-MUUNZHRXSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(C)c3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953469 554521142 /nfs/dbraw/zinc/52/11/42/554521142.db2.gz YTUNJZIMFKFYOE-NDEPHWFRSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3cccc(C)c3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953472 554521224 /nfs/dbraw/zinc/52/12/24/554521224.db2.gz YTUNJZIMFKFYOE-MUUNZHRXSA-N 0 0 503.603 3.071 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953481 554521215 /nfs/dbraw/zinc/52/12/15/554521215.db2.gz JPEYMDNWXZZGSA-LJAQVGFWSA-N 0 0 517.630 3.114 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953484 554521151 /nfs/dbraw/zinc/52/11/51/554521151.db2.gz JPEYMDNWXZZGSA-GDLZYMKVSA-N 0 0 517.630 3.114 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCC3=CCCCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953505 554521169 /nfs/dbraw/zinc/52/11/69/554521169.db2.gz CSGWVTRODKKUDX-NDEPHWFRSA-N 0 0 507.635 3.453 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCCC3=CCCCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953509 554521218 /nfs/dbraw/zinc/52/12/18/554521218.db2.gz CSGWVTRODKKUDX-MUUNZHRXSA-N 0 0 507.635 3.453 50 0 KGAARN CCCN1C(=O)c2c(C(=O)NCc3ccccc3OCC)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953523 554521435 /nfs/dbraw/zinc/52/14/35/554521435.db2.gz RZEQNBZCIPMIPN-LJAQVGFWSA-N 0 0 533.629 3.161 50 0 KGAARN 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CCn1cc(C(=O)Nc2ccc(N(C)C)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338260 554532132 /nfs/dbraw/zinc/53/21/32/554532132.db2.gz VHGPDXARWUXWAJ-UHFFFAOYSA-N 0 0 510.664 3.349 50 0 KGAARN CCn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338261 554532180 /nfs/dbraw/zinc/53/21/80/554532180.db2.gz KJQOENSZVYKICB-UHFFFAOYSA-N 0 0 511.604 3.012 50 0 KGAARN CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338264 554532213 /nfs/dbraw/zinc/53/22/13/554532213.db2.gz SMCGOTZJOCISIT-UHFFFAOYSA-N 0 0 525.631 3.054 50 0 KGAARN CCn1cc(C(=O)Nc2cccc(C(=O)OC)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338274 554532193 /nfs/dbraw/zinc/53/21/93/554532193.db2.gz JXXIVPFZUHWPCT-UHFFFAOYSA-N 0 0 525.631 3.070 50 0 KGAARN CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338279 554532163 /nfs/dbraw/zinc/53/21/63/554532163.db2.gz VOLBHICTHKXMCP-UHFFFAOYSA-N 0 0 525.631 3.070 50 0 KGAARN CCn1cc(C(=O)N2CCc3ccccc3C2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338342 554532517 /nfs/dbraw/zinc/53/25/17/554532517.db2.gz ZRMLJEZVKSCBLU-UHFFFAOYSA-N 0 0 507.660 3.229 50 0 KGAARN CCOc1ccccc1CNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000067338522 554532435 /nfs/dbraw/zinc/53/24/35/554532435.db2.gz NQKKBYALIDENIH-UHFFFAOYSA-N 0 0 525.675 3.359 50 0 KGAARN CCOc1cccc(CNC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)c1 ZINC000067338525 554532514 /nfs/dbraw/zinc/53/25/14/554532514.db2.gz BHGCYAYIIOEKIJ-UHFFFAOYSA-N 0 0 525.675 3.359 50 0 KGAARN CCOc1ccc(CNC(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067338526 554532760 /nfs/dbraw/zinc/53/27/60/554532760.db2.gz FZXLKVDUOUZYGL-UHFFFAOYSA-N 0 0 525.675 3.359 50 0 KGAARN CCn1cc(C(=O)NCc2ccc(F)cc2F)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338541 554532726 /nfs/dbraw/zinc/53/27/26/554532726.db2.gz XEYNGJBRTYNCRA-UHFFFAOYSA-N 0 0 517.602 3.239 50 0 KGAARN CCn1cc(C(=O)NCc2cc(F)cc(F)c2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338544 554532710 /nfs/dbraw/zinc/53/27/10/554532710.db2.gz SZLHCHVZISMFSY-UHFFFAOYSA-N 0 0 517.602 3.239 50 0 KGAARN CCn1cc(C(=O)NCCc2cccs2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338567 554532702 /nfs/dbraw/zinc/53/27/02/554532702.db2.gz JGKHZVIAVWLJFC-UHFFFAOYSA-N 0 0 501.678 3.065 50 0 KGAARN CCn1cc(C(=O)NCCCc2ccccc2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067338569 554532712 /nfs/dbraw/zinc/53/27/12/554532712.db2.gz QADODAUBRNQSKC-UHFFFAOYSA-N 0 0 509.676 3.393 50 0 KGAARN CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)NC)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000067664834 554532753 /nfs/dbraw/zinc/53/27/53/554532753.db2.gz SNNCONCKJDOFKX-DEOSSOPVSA-N 0 0 570.042 3.097 50 0 in-vitro KGAARN CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)NC)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000067664836 554532750 /nfs/dbraw/zinc/53/27/50/554532750.db2.gz SNNCONCKJDOFKX-XMMPIXPASA-N 0 0 570.042 3.097 50 0 in-vitro KGAARN CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO ZINC000068206930 554538446 /nfs/dbraw/zinc/53/84/46/554538446.db2.gz MJUVRTYWUMPBTR-MRXNPFEDSA-N 0 0 520.504 3.395 50 0 world KGAARN CCOC(=O)COCCOc1cc(Br)c(Br)cc1OCCOCC(=O)OCC ZINC000068600210 553592393 /nfs/dbraw/zinc/59/23/93/553592393.db2.gz HSLUUZZXJSQKSW-UHFFFAOYSA-N 0 0 528.190 3.129 50 0 KGAARN COc1ccc(OC)c(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)c1 ZINC000069382886 553593181 /nfs/dbraw/zinc/59/31/81/553593181.db2.gz DJZVUCWUNZBYHD-UHFFFAOYSA-N 0 0 508.600 3.059 50 0 KGAARN Cc1ccccc1N1C(SCCS(C)(=O)=O)=NN(CCS(C)(=O)=O)/C1=C1\C=Nc2ccccc21 ZINC000069700811 553593585 /nfs/dbraw/zinc/59/35/85/553593585.db2.gz ZMTQSDLRNKWFBX-QOCHGBHMSA-N 0 0 518.686 3.295 50 0 KGAARN Cc1cnn(CCN(CCCS(=O)(=O)c2ccc(F)cc2)CCCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000070008397 553593641 /nfs/dbraw/zinc/59/36/41/553593641.db2.gz KRESFPDDNTWTEK-UHFFFAOYSA-N 0 0 525.643 3.500 50 0 KGAARN CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000070664733 553594990 /nfs/dbraw/zinc/59/49/90/553594990.db2.gz WXFFEILSURAFKL-SHHGKLNCSA-N 0 0 506.507 3.027 50 0 biogenic KGAARN O=C(OC[C@H]1O[C@@H](n2ncc(Cl)nc2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000070665175 553595805 /nfs/dbraw/zinc/59/58/05/553595805.db2.gz FSALUYDNLZJSHA-WJNCPCKPSA-N 0 0 575.961 3.497 50 0 biogenic KGAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1 ZINC000070665458 553596307 /nfs/dbraw/zinc/59/63/07/553596307.db2.gz MIJMDMUBCDQQSU-GXBHVYDZSA-N 0 0 541.597 3.464 50 0 biogenic KGAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1 ZINC000070665462 553596340 /nfs/dbraw/zinc/59/63/40/553596340.db2.gz MIJMDMUBCDQQSU-NSJFTEMYSA-N 0 0 541.597 3.464 50 0 biogenic KGAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1 ZINC000070665465 553596303 /nfs/dbraw/zinc/59/63/03/553596303.db2.gz MIJMDMUBCDQQSU-RGQLOILYSA-N 0 0 541.597 3.464 50 0 biogenic KGAARN CC1(C)OC[C@@H]([C@H]2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)O1 ZINC000070665468 553596335 /nfs/dbraw/zinc/59/63/35/553596335.db2.gz MIJMDMUBCDQQSU-MWHNCMRYSA-N 0 0 541.597 3.464 50 0 biogenic KGAARN CC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000070665490 553596235 /nfs/dbraw/zinc/59/62/35/553596235.db2.gz GHYGFOPFBFIDQZ-VSGBNLITSA-N 0 0 574.630 3.376 50 0 biogenic KGAARN CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1)C(=O)OC(C)(C)C ZINC000070665763 553596854 /nfs/dbraw/zinc/59/68/54/553596854.db2.gz RTQRKQRIFDCLKZ-SDUSCBPUSA-N 0 0 539.673 3.170 50 0 biogenic KGAARN CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1 ZINC000070665844 553597207 /nfs/dbraw/zinc/59/72/07/553597207.db2.gz FAZUIGXOWOIOEH-HOZMCVABSA-N 0 0 506.507 3.027 50 0 biogenic KGAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)Nc3cc(OC)c(OC)c(OC)c3)co1)CC2 ZINC000070666109 553597989 /nfs/dbraw/zinc/59/79/89/553597989.db2.gz STLOPBBNJAXNLR-UHFFFAOYSA-N 0 0 540.569 3.259 50 0 biogenic KGAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CCc4cc(OC)c(OC)cc4C3)co1)CC2 ZINC000070666111 553598058 /nfs/dbraw/zinc/59/80/58/553598058.db2.gz XSDGBIOZLFLVET-UHFFFAOYSA-N 0 0 550.608 3.196 50 0 biogenic KGAARN CCCCCCOc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000070669772 553598581 /nfs/dbraw/zinc/59/85/81/553598581.db2.gz SAIBZJRVPYUMMD-RSFKBIFASA-N 0 0 524.563 3.108 50 0 biogenic KGAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669776 553598548 /nfs/dbraw/zinc/59/85/48/553598548.db2.gz HILTXDFKPYQKMP-MODXFSQWSA-N 0 0 568.630 3.071 50 0 biogenic KGAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669777 553598607 /nfs/dbraw/zinc/59/86/07/553598607.db2.gz HILTXDFKPYQKMP-MEYXWREJSA-N 0 0 568.630 3.071 50 0 biogenic KGAARN CCOc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000070669794 553598892 /nfs/dbraw/zinc/59/88/92/553598892.db2.gz HHGLGWBDWWOZDR-UDKTZTBJSA-N 0 0 540.620 3.178 50 0 biogenic KGAARN CCOc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000070669795 553598907 /nfs/dbraw/zinc/59/89/07/553598907.db2.gz HHGLGWBDWWOZDR-IKBQMQIHSA-N 0 0 540.620 3.178 50 0 biogenic KGAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669800 553598777 /nfs/dbraw/zinc/59/87/77/553598777.db2.gz AOXXHWWAXWKIAF-FXZPAHAQSA-N 0 0 554.647 3.351 50 0 biogenic KGAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(OC)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669801 553598786 /nfs/dbraw/zinc/59/87/86/553598786.db2.gz AOXXHWWAXWKIAF-MKVNITDJSA-N 0 0 554.647 3.351 50 0 biogenic KGAARN CCOc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(C)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000070670136 553600339 /nfs/dbraw/zinc/60/03/39/553600339.db2.gz STOQBZCABIRZJT-XNSHOJTPSA-N 0 0 554.647 3.487 50 0 biogenic KGAARN CCOc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3ccc(C)cc3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000070670137 553600307 /nfs/dbraw/zinc/60/03/07/553600307.db2.gz STOQBZCABIRZJT-JOUUIMRQSA-N 0 0 554.647 3.487 50 0 biogenic KGAARN COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000070671714 553601358 /nfs/dbraw/zinc/60/13/58/553601358.db2.gz QKRFQDXAJJWWGQ-QPPRZBLKSA-N 0 0 561.038 3.442 50 0 biogenic KGAARN COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000070671716 553601513 /nfs/dbraw/zinc/60/15/13/553601513.db2.gz QKRFQDXAJJWWGQ-PHKGMDLESA-N 0 0 561.038 3.442 50 0 biogenic KGAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070671981 553601409 /nfs/dbraw/zinc/60/14/09/553601409.db2.gz HKPSSLPHRDLRJR-YIIHMFSRSA-N 0 0 614.699 3.368 50 0 biogenic KGAARN CCc1ccc(N2C(=O)[N-]C(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070671983 553601346 /nfs/dbraw/zinc/60/13/46/553601346.db2.gz HKPSSLPHRDLRJR-XFBASLRHSA-N 0 0 614.699 3.368 50 0 biogenic KGAARN CCOc1ccccc1N1C(=O)[N-]C(=O)[C@](Cc2ccc(OC)cc2OC)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000070671984 553601447 /nfs/dbraw/zinc/60/14/47/553601447.db2.gz PEVSCFOOQCXDTB-BRGUJNTOSA-N 0 0 600.672 3.195 50 0 biogenic KGAARN CCOc1ccccc1N1C(=O)[N-]C(=O)[C@@](Cc2ccc(OC)cc2OC)(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C1=O ZINC000070671986 553601497 /nfs/dbraw/zinc/60/14/97/553601497.db2.gz PEVSCFOOQCXDTB-XUIUQNFFSA-N 0 0 600.672 3.195 50 0 biogenic KGAARN CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccccc2F)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000070672306 553602040 /nfs/dbraw/zinc/60/20/40/553602040.db2.gz ADONGWNEJQZVEA-KRZJEZTLSA-N 0 0 586.521 3.061 50 0 biogenic KGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)N3Cc4[nH]c5ccccc5c4C[C@H]3C(=O)OC)c(C)c2oc1=O ZINC000070680466 553604300 /nfs/dbraw/zinc/60/43/00/553604300.db2.gz GVIDCCZGUZAJAP-QHCPKHFHSA-N 0 0 532.549 3.112 50 0 biogenic KGAARN COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N23)c1 ZINC000070680571 553604354 /nfs/dbraw/zinc/60/43/54/553604354.db2.gz OUVMHTRJLYGUCD-OAHAWELDSA-N 0 0 539.544 3.461 50 0 biogenic KGAARN CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000070680611 553604691 /nfs/dbraw/zinc/60/46/91/553604691.db2.gz YVWNCHQJIKUGDZ-SANMLTNESA-N 0 0 556.754 3.474 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000070680853 553604624 /nfs/dbraw/zinc/60/46/24/553604624.db2.gz KHSQYUMOSOREJN-ZEQRLZLVSA-N 0 0 578.776 3.337 50 0 biogenic KGAARN Cc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070680864 553604612 /nfs/dbraw/zinc/60/46/12/553604612.db2.gz VOGOYZBRYAAJMC-NVQXNPDNSA-N 0 0 550.700 3.491 50 0 biogenic KGAARN COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000070680998 553604879 /nfs/dbraw/zinc/60/48/79/553604879.db2.gz JLPOTACFTSVRAG-UPVQGACJSA-N 0 0 578.776 3.337 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccccc2F)C(C)C)CC1 ZINC000070686521 553605263 /nfs/dbraw/zinc/60/52/63/553605263.db2.gz JFVUJPXYNVXDRV-GOTSBHOMSA-N 0 0 566.740 3.468 50 0 biogenic KGAARN COc1ccccc1CNC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000070686561 553605283 /nfs/dbraw/zinc/60/52/83/553605283.db2.gz ZFBGOFBGDIBDLJ-OFVILXPXSA-N 0 0 566.699 3.191 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070686574 553605379 /nfs/dbraw/zinc/60/53/79/553605379.db2.gz YYEQRMIFSLTVNZ-LVXARBLLSA-N 0 0 566.699 3.191 50 0 biogenic KGAARN C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000070686723 553605529 /nfs/dbraw/zinc/60/55/29/553605529.db2.gz KAVYWJSWKCWBQV-CPJSRVTESA-N 0 0 554.663 3.321 50 0 biogenic KGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1 ZINC000070686746 553605538 /nfs/dbraw/zinc/60/55/38/553605538.db2.gz PGTJRFLCKGUKKL-GOTSBHOMSA-N 0 0 566.740 3.468 50 0 biogenic KGAARN CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)CC1 ZINC000070687352 553606704 /nfs/dbraw/zinc/60/67/04/553606704.db2.gz QTKZLWCQRSBUSZ-VWLOTQADSA-N 0 0 553.704 3.407 50 0 biogenic KGAARN COc1ccccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(C(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000070687496 553606964 /nfs/dbraw/zinc/60/69/64/553606964.db2.gz YKVWGAHTMHXRJL-SANMLTNESA-N 0 0 591.709 3.284 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCN(C(=O)CNC(=O)OC(C)(C)C)CC2)cc1 ZINC000070687610 553606986 /nfs/dbraw/zinc/60/69/86/553606986.db2.gz OPKXAVVTUYKPCH-MHZLTWQESA-N 0 0 591.709 3.284 50 0 biogenic KGAARN COc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C)CC2)cc1 ZINC000070691599 553608154 /nfs/dbraw/zinc/60/81/54/553608154.db2.gz UPYALEYGPYLSDB-MHZLTWQESA-N 0 0 591.709 3.284 50 0 biogenic KGAARN COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 ZINC000070691638 553608125 /nfs/dbraw/zinc/60/81/25/553608125.db2.gz BSECBMGRTHHNJL-ICSRJNTNSA-N 0 0 550.722 3.332 50 0 biogenic KGAARN COc1ccccc1CNC(=O)[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(C)C ZINC000070691646 553608164 /nfs/dbraw/zinc/60/81/64/553608164.db2.gz JLPOTACFTSVRAG-LADGPHEKSA-N 0 0 578.776 3.337 50 0 biogenic KGAARN COc1ccccc1CNC(=O)CNC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 ZINC000070691756 553608338 /nfs/dbraw/zinc/60/83/38/553608338.db2.gz XKKPFQHAHIZUNR-SANMLTNESA-N 0 0 591.709 3.284 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@H](NC(=O)C2CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)C(C)C)cc1 ZINC000070691892 553608610 /nfs/dbraw/zinc/60/86/10/553608610.db2.gz KHSQYUMOSOREJN-BJKOFHAPSA-N 0 0 578.776 3.337 50 0 biogenic KGAARN COc1cc([C@@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070692267 553610647 /nfs/dbraw/zinc/61/06/47/553610647.db2.gz QPICWSILHSKEHS-FWUCURJTSA-N 0 0 546.668 3.327 50 0 biogenic KGAARN COc1cc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C ZINC000070692268 553610664 /nfs/dbraw/zinc/61/06/64/553610664.db2.gz QPICWSILHSKEHS-IPBJYNAHSA-N 0 0 546.668 3.327 50 0 biogenic KGAARN CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(CCCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070692386 553611436 /nfs/dbraw/zinc/61/14/36/553611436.db2.gz IJPQUAHZIRAAQB-FWUCURJTSA-N 0 0 546.668 3.329 50 0 biogenic KGAARN CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(CCCN3CCOCC3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 ZINC000070692387 553611443 /nfs/dbraw/zinc/61/14/43/553611443.db2.gz IJPQUAHZIRAAQB-IPBJYNAHSA-N 0 0 546.668 3.329 50 0 biogenic KGAARN CCCOc1ccc([C@@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070692391 553611670 /nfs/dbraw/zinc/61/16/70/553611670.db2.gz DLRMMOGVTSBCSN-FWUCURJTSA-N 0 0 546.668 3.329 50 0 biogenic KGAARN CCCOc1ccc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OC ZINC000070692392 553611708 /nfs/dbraw/zinc/61/17/08/553611708.db2.gz DLRMMOGVTSBCSN-IPBJYNAHSA-N 0 0 546.668 3.329 50 0 biogenic KGAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccc(Br)cc3)CN1C(=O)CN(CCN1CCOCC1)C2=O ZINC000070696850 553611710 /nfs/dbraw/zinc/61/17/10/553611710.db2.gz PNYCUUVOINHGDX-IDISGSTGSA-N 0 0 537.458 3.294 50 0 biogenic KGAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccc(Br)cc3)CN1C(=O)CN(CCN1CCOCC1)C2=O ZINC000070696852 553611689 /nfs/dbraw/zinc/61/16/89/553611689.db2.gz PNYCUUVOINHGDX-ZBLYBZFDSA-N 0 0 537.458 3.294 50 0 biogenic KGAARN COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1OC ZINC000070697484 553612785 /nfs/dbraw/zinc/61/27/85/553612785.db2.gz OZPJELXQAXGZCQ-DLFZDVPBSA-N 0 0 540.620 3.263 50 0 biogenic KGAARN COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@@H]43)C2=O)cc1OC ZINC000070697489 553612837 /nfs/dbraw/zinc/61/28/37/553612837.db2.gz OZPJELXQAXGZCQ-JOMNFKBKSA-N 0 0 540.620 3.263 50 0 biogenic KGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000070700799 553619374 /nfs/dbraw/zinc/61/93/74/553619374.db2.gz HIHNMCOMSIMZIS-PGJMPONKSA-N 0 0 533.625 3.465 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070700903 553619954 /nfs/dbraw/zinc/61/99/54/553619954.db2.gz CZKDJTSDGKXBAP-QHCPKHFHSA-N 0 0 567.664 3.165 50 0 biogenic KGAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccc2c(c1)OCO2 ZINC000070701601 553622488 /nfs/dbraw/zinc/62/24/88/553622488.db2.gz WGQJDHGVFDLOAU-DIJZJMTMSA-N 0 0 522.561 3.188 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H]3c4ccccc4C(=O)N32)cc1OC ZINC000070704404 553622702 /nfs/dbraw/zinc/62/27/02/553622702.db2.gz IELHDFYIBCSKNT-DGBBAZJCSA-N 0 0 538.604 3.476 50 0 biogenic KGAARN COc1ccc(CNC(=O)[C@H](C)NC(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H]3c4ccccc4C(=O)N32)cc1OC ZINC000070704407 553622754 /nfs/dbraw/zinc/62/27/54/553622754.db2.gz IELHDFYIBCSKNT-WIBZXERCSA-N 0 0 538.604 3.476 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070705108 553624571 /nfs/dbraw/zinc/62/45/71/553624571.db2.gz LNGZCPDFDMUMMP-QFIPXVFZSA-N 0 0 571.586 3.098 50 0 biogenic KGAARN COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21 ZINC000070706419 553628021 /nfs/dbraw/zinc/62/80/21/553628021.db2.gz ABHBZGBIYXUPCY-NSVAZKTRSA-N 0 0 522.605 3.128 50 0 biogenic KGAARN Cc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 ZINC000070707701 553631515 /nfs/dbraw/zinc/63/15/15/553631515.db2.gz FHUWNMHGDNWYME-GSDHBNRESA-N 0 0 553.681 3.358 50 0 biogenic KGAARN Cc1ccc(N(C(=O)[C@@H]2N3C(=O)C[C@@H]3S(=O)(=O)C2(C)C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1 ZINC000070707706 553631455 /nfs/dbraw/zinc/63/14/55/553631455.db2.gz FHUWNMHGDNWYME-NXCFDTQHSA-N 0 0 553.681 3.358 50 0 biogenic KGAARN CC(C)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000070707786 553631759 /nfs/dbraw/zinc/63/17/59/553631759.db2.gz GNFSXCKJFKXYTD-KVOKEACQSA-N 0 0 534.682 3.377 50 0 biogenic KGAARN CC(C)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C ZINC000070707788 553631749 /nfs/dbraw/zinc/63/17/49/553631749.db2.gz GNFSXCKJFKXYTD-GOIZPCHYSA-N 0 0 534.682 3.377 50 0 biogenic KGAARN CCCCCCn1c2ccccc2nc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712100 553633086 /nfs/dbraw/zinc/63/30/86/553633086.db2.gz YDYVPGKSISKRBH-SDVOOXDOSA-N 0 0 563.673 3.365 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000070712128 553633025 /nfs/dbraw/zinc/63/30/25/553633025.db2.gz HQRSLVNTRYJBFA-CMSSPHMHSA-N 0 0 617.080 3.336 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1CCCOc1ccccc1 ZINC000070712145 553633093 /nfs/dbraw/zinc/63/30/93/553633093.db2.gz ZYWSZCZOSWRDMM-JPHCZMGXSA-N 0 0 613.689 3.254 50 0 biogenic KGAARN CCCCCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712187 553633493 /nfs/dbraw/zinc/63/34/93/553633493.db2.gz IDHMNZSPRJRTPO-LZEBPPIWSA-N 0 0 620.725 3.104 50 0 biogenic KGAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712203 553633474 /nfs/dbraw/zinc/63/34/74/553633474.db2.gz RVSUYFSVLQGCKJ-KUXNCQQFSA-N 0 0 534.572 3.302 50 0 biogenic KGAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712204 553633375 /nfs/dbraw/zinc/63/33/75/553633375.db2.gz RVSUYFSVLQGCKJ-PCEYSVKOSA-N 0 0 534.572 3.302 50 0 biogenic KGAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712206 553633467 /nfs/dbraw/zinc/63/34/67/553633467.db2.gz RVSUYFSVLQGCKJ-YSRRZRNESA-N 0 0 534.572 3.302 50 0 biogenic KGAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712208 553633526 /nfs/dbraw/zinc/63/35/26/553633526.db2.gz RVSUYFSVLQGCKJ-ZGQJUUMOSA-N 0 0 534.572 3.302 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000070712212 553633452 /nfs/dbraw/zinc/63/34/52/553633452.db2.gz QLRNPLXNBHUTBN-ACFIUOAZSA-N 0 0 604.081 3.486 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(C)cc2)n1C1CCCC1 ZINC000070712214 553633446 /nfs/dbraw/zinc/63/34/46/553633446.db2.gz DAXZWJMEKUNRCD-LZEBPPIWSA-N 0 0 618.709 3.029 50 0 biogenic KGAARN CCCCCn1c(COc2ccccc2C)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712224 553633610 /nfs/dbraw/zinc/63/36/10/553633610.db2.gz KSTCYVLCPQMALH-LZEBPPIWSA-N 0 0 620.725 3.104 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2cccc(C)c2)n1C1CCCC1 ZINC000070712237 553633653 /nfs/dbraw/zinc/63/36/53/553633653.db2.gz QQQQPUYNMIJWOA-LZEBPPIWSA-N 0 0 618.709 3.029 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2C)n1C1CCCC1 ZINC000070712244 553633718 /nfs/dbraw/zinc/63/37/18/553633718.db2.gz MTORMZIRSIPPMN-LZEBPPIWSA-N 0 0 618.709 3.029 50 0 biogenic KGAARN CCCCCn1c(COc2cccc(C)c2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070712293 553634013 /nfs/dbraw/zinc/63/40/13/553634013.db2.gz JWCGRMXRLGISSZ-LZEBPPIWSA-N 0 0 620.725 3.104 50 0 biogenic KGAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712384 553634185 /nfs/dbraw/zinc/63/41/85/553634185.db2.gz WYUAOZWPLYOBBN-KUXNCQQFSA-N 0 0 533.588 3.335 50 0 biogenic KGAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712386 553634193 /nfs/dbraw/zinc/63/41/93/553634193.db2.gz WYUAOZWPLYOBBN-PCEYSVKOSA-N 0 0 533.588 3.335 50 0 biogenic KGAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712388 553634241 /nfs/dbraw/zinc/63/42/41/553634241.db2.gz WYUAOZWPLYOBBN-YSRRZRNESA-N 0 0 533.588 3.335 50 0 biogenic KGAARN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)N[C@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)cc1 ZINC000070712390 553634358 /nfs/dbraw/zinc/63/43/58/553634358.db2.gz WYUAOZWPLYOBBN-ZGQJUUMOSA-N 0 0 533.588 3.335 50 0 biogenic KGAARN COc1ccccc1N(C[C@@H](O)CN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccccc1 ZINC000071279174 553634667 /nfs/dbraw/zinc/63/46/67/553634667.db2.gz PIZIWNRDGLBPOT-QFIPXVFZSA-N 0 0 511.644 3.082 50 0 KGAARN COc1ccccc1N(C[C@H](O)CN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccccc1 ZINC000071279175 553634614 /nfs/dbraw/zinc/63/46/14/553634614.db2.gz PIZIWNRDGLBPOT-JOCHJYFZSA-N 0 0 511.644 3.082 50 0 KGAARN O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc(I)cc1 ZINC000071328311 553634947 /nfs/dbraw/zinc/63/49/47/553634947.db2.gz QGRUVCJLXQBFAK-UHFFFAOYSA-N 0 0 501.284 3.306 50 0 KGAARN CCOc1ccc(OCC)c(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 ZINC000071328399 553635037 /nfs/dbraw/zinc/63/50/37/553635037.db2.gz BORAFEISSNIFII-UHFFFAOYSA-N 0 0 507.503 3.228 50 0 KGAARN CCCCOC(=O)c1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 ZINC000071328416 553634924 /nfs/dbraw/zinc/63/49/24/553634924.db2.gz ZZEHYLAUBDBJTD-UHFFFAOYSA-N 0 0 519.514 3.387 50 0 KGAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000071328437 553635329 /nfs/dbraw/zinc/63/53/29/553635329.db2.gz XXFIAZLGPJYNQW-UHFFFAOYSA-N 0 0 503.393 3.329 50 0 KGAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000071328438 553635381 /nfs/dbraw/zinc/63/53/81/553635381.db2.gz ZBBRVVNKRAZHMZ-UHFFFAOYSA-N 0 0 503.393 3.329 50 0 KGAARN O=C(CCCCCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)Nc1ccccc1 ZINC000071328622 553635292 /nfs/dbraw/zinc/63/52/92/553635292.db2.gz GYRLXICWIQPTDB-UHFFFAOYSA-N 0 0 515.595 3.480 50 0 KGAARN CCOc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3ccc(OC)c(Cl)c3)c(N)n2)CC1 ZINC000071771579 553636461 /nfs/dbraw/zinc/63/64/61/553636461.db2.gz LXTUYXPUSWYSHP-UHFFFAOYSA-N 0 0 504.012 3.279 50 0 KGAARN COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(C(C)=O)cc4)CC3)nc2N)cc1Cl ZINC000071771591 553636466 /nfs/dbraw/zinc/63/64/66/553636466.db2.gz JYCPFZOVYXGGKY-UHFFFAOYSA-N 0 0 501.996 3.083 50 0 KGAARN Cc1ccc(NC(=O)CN2CCN(c3ncc(S(=O)(=O)c4ccc(C(C)C)cc4)c(N)n3)CC2)cc1 ZINC000071771705 553636475 /nfs/dbraw/zinc/63/64/75/553636475.db2.gz CWSAQMOTOGWZBD-UHFFFAOYSA-N 0 0 508.648 3.084 50 0 KGAARN CCOc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3cc(Cl)ccc3OC)c(N)n2)CC1 ZINC000071771954 553636895 /nfs/dbraw/zinc/63/68/95/553636895.db2.gz GSPRCBDGQDJHQG-UHFFFAOYSA-N 0 0 504.012 3.279 50 0 KGAARN COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(c3ccc(C(C)=O)cc3)CC2)nc1N ZINC000071771963 553636781 /nfs/dbraw/zinc/63/67/81/553636781.db2.gz XCKMNUWROGPCGM-UHFFFAOYSA-N 0 0 501.996 3.083 50 0 KGAARN Cc1cc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1Br ZINC000071772457 553636754 /nfs/dbraw/zinc/63/67/54/553636754.db2.gz DNVDOKWJSKLJCY-UHFFFAOYSA-N 0 0 519.421 3.281 50 0 KGAARN COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)cc1Cl ZINC000071772623 553636774 /nfs/dbraw/zinc/63/67/74/553636774.db2.gz ATVMJICPGDQVNJ-OAHLLOKOSA-N 0 0 504.996 3.260 50 0 KGAARN COc1ccc(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)cc1Cl ZINC000071772625 553636880 /nfs/dbraw/zinc/63/68/80/553636880.db2.gz ATVMJICPGDQVNJ-HNNXBMFYSA-N 0 0 504.996 3.260 50 0 KGAARN CS(=O)(=O)N1CCN(c2c3ccc(F)cc3ncc2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000071775310 553637051 /nfs/dbraw/zinc/63/70/51/553637051.db2.gz BFSGXYYKFOPJNB-UHFFFAOYSA-N 0 0 501.964 3.081 50 0 KGAARN CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 ZINC000071928213 553639890 /nfs/dbraw/zinc/63/98/90/553639890.db2.gz OZVBMTJYIDMWIL-SHUSXKRSSA-N 0 0 654.606 3.193 50 0 in-man KGAARN COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(C)cc2)cc1 ZINC000072099444 571360845 /nfs/dbraw/zinc/36/08/45/571360845.db2.gz KGTSZMZIXWBXKC-MXCNSHPNSA-N 0 0 522.550 3.220 50 0 KGAARN CO[C@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000072099773 553640025 /nfs/dbraw/zinc/64/00/25/553640025.db2.gz BHQKQQXWEXIQMI-NRUNVSGISA-N 0 0 506.507 3.027 50 0 KGAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000072103918 553640387 /nfs/dbraw/zinc/64/03/87/553640387.db2.gz XJDPEKPJJPOLGT-UHFFFAOYSA-N 0 0 536.654 3.307 50 0 KGAARN CCCCN(C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000072104514 553640403 /nfs/dbraw/zinc/64/04/03/553640403.db2.gz HYLAHLBFSFGJQH-UHFFFAOYSA-N 0 0 547.612 3.027 50 0 KGAARN CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 ZINC000072119085 553640556 /nfs/dbraw/zinc/64/05/56/553640556.db2.gz OZVBMTJYIDMWIL-WXLPYOAUSA-N 0 0 654.606 3.193 50 0 KGAARN CCOc1ccc2oc(C(=O)OCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c(C)c2c1 ZINC000072136392 553644354 /nfs/dbraw/zinc/64/43/54/553644354.db2.gz WSEFRAOOOYMYJR-UHFFFAOYSA-N 0 0 548.596 3.466 50 0 KGAARN CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(S(=O)(=O)N(CC)c3ccccc3)c2)c(=O)[nH]c1=O ZINC000072136505 553644402 /nfs/dbraw/zinc/64/44/02/553644402.db2.gz FXIVGBGUJQQMND-UHFFFAOYSA-N 0 0 541.674 3.437 50 0 KGAARN CCCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000072136922 553644330 /nfs/dbraw/zinc/64/43/30/553644330.db2.gz PAALJBCKUAHAKE-UHFFFAOYSA-N 0 0 540.086 3.050 50 0 KGAARN COCCN(C(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072137748 553644604 /nfs/dbraw/zinc/64/46/04/553644604.db2.gz WSSQBZJXPWYRMA-UHFFFAOYSA-N 0 0 526.018 3.166 50 0 KGAARN CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)CSCC(=O)Nc2ccc(C)cc2)c(=O)[nH]c1=O ZINC000072138211 553644621 /nfs/dbraw/zinc/64/46/21/553644621.db2.gz KRHBJRRORWGNMW-UHFFFAOYSA-N 0 0 539.658 3.141 50 0 KGAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O ZINC000072138340 553644662 /nfs/dbraw/zinc/64/46/62/553644662.db2.gz KSMBZZBMFJTRQJ-QUGAMOGWSA-N 0 0 583.107 3.133 50 0 KGAARN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O ZINC000072138341 553644674 /nfs/dbraw/zinc/64/46/74/553644674.db2.gz KSMBZZBMFJTRQJ-QLXKLKPCSA-N 0 0 583.107 3.133 50 0 KGAARN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O ZINC000072138342 553644636 /nfs/dbraw/zinc/64/46/36/553644636.db2.gz KSMBZZBMFJTRQJ-WGDIFIGCSA-N 0 0 583.107 3.133 50 0 KGAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)C2=O ZINC000072138343 553644646 /nfs/dbraw/zinc/64/46/46/553644646.db2.gz KSMBZZBMFJTRQJ-MRDQGFSESA-N 0 0 583.107 3.133 50 0 KGAARN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)c2)CC1 ZINC000072138484 553644596 /nfs/dbraw/zinc/64/45/96/553644596.db2.gz XTFSUXBYINNITM-UHFFFAOYSA-N 0 0 547.939 3.007 50 0 KGAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000072139331 553644589 /nfs/dbraw/zinc/64/45/89/553644589.db2.gz INXHOZKNVGOBTR-UHFFFAOYSA-N 0 0 541.674 3.355 50 0 KGAARN O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N(CCc1ccccc1)Cc1ccccc1 ZINC000072139591 553644956 /nfs/dbraw/zinc/64/49/56/553644956.db2.gz AZWPJIJRTUSWQI-UHFFFAOYSA-N 0 0 540.613 3.275 50 0 KGAARN CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000072139750 553644854 /nfs/dbraw/zinc/64/48/54/553644854.db2.gz TTXXGAGIGDNZDT-IBGZPJMESA-N 0 0 528.494 3.255 50 0 KGAARN CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000072139751 553644869 /nfs/dbraw/zinc/64/48/69/553644869.db2.gz TTXXGAGIGDNZDT-LJQANCHMSA-N 0 0 528.494 3.255 50 0 KGAARN COc1ccc(C(=O)N[C@H](C(=O)OCCCOC(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)C(C)C)cc1 ZINC000072141896 553645003 /nfs/dbraw/zinc/64/50/03/553645003.db2.gz OKGPWPOIMVJJQQ-DQEYMECFSA-N 0 0 542.629 3.389 50 0 KGAARN Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000072316197 553647260 /nfs/dbraw/zinc/64/72/60/553647260.db2.gz QNQZWEGMKJBHEM-UHFFFAOYSA-N 0 0 545.543 3.294 50 0 investigational KGAARN COC(=O)c1ccc(NC(=O)COc2coc(CN3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1 ZINC000072324582 553647832 /nfs/dbraw/zinc/64/78/32/553647832.db2.gz AGMYZFQLCRMMLB-UHFFFAOYSA-N 0 0 508.527 3.019 50 0 biogenic KGAARN COc1cc(OC)c(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1Cl ZINC000072329688 553649037 /nfs/dbraw/zinc/64/90/37/553649037.db2.gz YXALRENUPMEILU-UHFFFAOYSA-N 0 0 513.894 3.101 50 0 KGAARN COc1cc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c(OC)cc1Cl ZINC000072329689 553649016 /nfs/dbraw/zinc/64/90/16/553649016.db2.gz SIDVBBUIXRPAGN-UHFFFAOYSA-N 0 0 513.894 3.101 50 0 KGAARN O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCC(Cc2ccccc2)CC1 ZINC000072329715 553648960 /nfs/dbraw/zinc/64/89/60/553648960.db2.gz ZZPCARNVTJGENH-UHFFFAOYSA-N 0 0 501.543 3.273 50 0 KGAARN O=C(COC(=O)COc1ccc(I)cc1)NCc1ccccc1Br ZINC000072331025 553649356 /nfs/dbraw/zinc/64/93/56/553649356.db2.gz MMEABFBNNPOLLX-UHFFFAOYSA-N 0 0 504.118 3.292 50 0 KGAARN CCOc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000072331993 553649497 /nfs/dbraw/zinc/64/94/97/553649497.db2.gz WFKVSQWNVYTVIV-UHFFFAOYSA-N 0 0 504.543 3.006 50 0 KGAARN CCN(C(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)c1cccc(C)c1 ZINC000072332006 553649415 /nfs/dbraw/zinc/64/94/15/553649415.db2.gz LSMNZBLEGPUOGZ-UHFFFAOYSA-N 0 0 502.571 3.330 50 0 KGAARN CCN(Cc1ccccc1)C(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332023 553649367 /nfs/dbraw/zinc/64/93/67/553649367.db2.gz QNVXMXXXIRHOMF-UHFFFAOYSA-N 0 0 502.571 3.017 50 0 KGAARN COc1ccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)cc1Cl ZINC000072332026 553649481 /nfs/dbraw/zinc/64/94/81/553649481.db2.gz NKOKBXHEXFQHSV-UHFFFAOYSA-N 0 0 524.961 3.269 50 0 KGAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(Cl)cc1F ZINC000072332038 553649616 /nfs/dbraw/zinc/64/96/16/553649616.db2.gz UNUYBEHJDKACQK-UHFFFAOYSA-N 0 0 512.925 3.399 50 0 KGAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(F)c(Cl)c1 ZINC000072332040 553649632 /nfs/dbraw/zinc/64/96/32/553649632.db2.gz XYVPYDYIXWAVDE-UHFFFAOYSA-N 0 0 512.925 3.399 50 0 KGAARN CSc1cccc(NC(=O)Cn2c3c4ccccc4oc3c(=O)n(CC(=O)NC3CCCC3)c2=O)c1 ZINC000072332043 553649668 /nfs/dbraw/zinc/64/96/68/553649668.db2.gz DZJWMFVNFOEOLY-UHFFFAOYSA-N 0 0 506.584 3.329 50 0 KGAARN CCc1cccc(C)c1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332044 553649604 /nfs/dbraw/zinc/64/96/04/553649604.db2.gz DUNUNQSYTFAXPX-UHFFFAOYSA-N 0 0 502.571 3.478 50 0 KGAARN C[C@@H](CCc1ccccc1)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332050 553649640 /nfs/dbraw/zinc/64/96/40/553649640.db2.gz VCZHLSCEJWAARA-IBGZPJMESA-N 0 0 516.598 3.106 50 0 KGAARN C[C@H](CCc1ccccc1)NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332051 553649628 /nfs/dbraw/zinc/64/96/28/553649628.db2.gz VCZHLSCEJWAARA-LJQANCHMSA-N 0 0 516.598 3.106 50 0 KGAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1cc(F)ccc1Cl ZINC000072332078 553649620 /nfs/dbraw/zinc/64/96/20/553649620.db2.gz DVLGLBZOANKMJH-UHFFFAOYSA-N 0 0 512.925 3.399 50 0 KGAARN COc1ccc(Cl)cc1NC(=O)Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O ZINC000072332081 553649967 /nfs/dbraw/zinc/64/99/67/553649967.db2.gz RTQJTDXOEINRNO-UHFFFAOYSA-N 0 0 524.961 3.269 50 0 KGAARN O=C(Cn1c2c3ccccc3oc2c(=O)n(CC(=O)NC2CCCC2)c1=O)Nc1ccc2c(c1)CCC2 ZINC000072332082 553650042 /nfs/dbraw/zinc/65/00/42/553650042.db2.gz ZYNBUICMCIGRNA-UHFFFAOYSA-N 0 0 500.555 3.096 50 0 KGAARN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000073224355 553652049 /nfs/dbraw/zinc/65/20/49/553652049.db2.gz BMGBJQVDJRVUNW-UHFFFAOYSA-N 0 0 540.041 3.395 50 0 KGAARN CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000077303461 553662011 /nfs/dbraw/zinc/66/20/11/553662011.db2.gz WXFFEILSURAFKL-SUWSLWCISA-N 0 0 506.507 3.027 50 0 in-vitro KGAARN COC(=O)c1cc(Cn2c(=O)cnn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=O)ccc1O ZINC000079204240 553669582 /nfs/dbraw/zinc/66/95/82/553669582.db2.gz CWNHSUQSRFHNMR-PTZSJIIDSA-N 0 0 721.675 3.151 50 0 KGAARN COC(=O)c1cc(Cn2c(=O)cnn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=O)ccc1O ZINC000079204244 553669598 /nfs/dbraw/zinc/66/95/98/553669598.db2.gz CWNHSUQSRFHNMR-WXQJYUTRSA-N 0 0 721.675 3.151 50 0 biogenic KGAARN CC(=O)OC[C@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079204438 553669859 /nfs/dbraw/zinc/66/98/59/553669859.db2.gz GQDHKQKOEGTJLA-PGPQXSQJSA-N 0 0 633.650 3.301 50 0 biogenic KGAARN CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccccc2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079204443 553669832 /nfs/dbraw/zinc/66/98/32/553669832.db2.gz GQDHKQKOEGTJLA-JCTOGQLXSA-N 0 0 633.650 3.301 50 0 biogenic KGAARN CC(=O)OC[C@H]1O[C@@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079204492 553669836 /nfs/dbraw/zinc/66/98/36/553669836.db2.gz IGGWFPXBYOKOBE-PGPQXSQJSA-N 0 0 633.650 3.301 50 0 biogenic KGAARN CC(=O)OC[C@H]1O[C@H](OC(=O)Cc2ccccc2)[C@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079204494 553669827 /nfs/dbraw/zinc/66/98/27/553669827.db2.gz IGGWFPXBYOKOBE-JCTOGQLXSA-N 0 0 633.650 3.301 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079209975 553670276 /nfs/dbraw/zinc/67/02/76/553670276.db2.gz PHGHKHVDCGNPQE-IEAFHPEVSA-N 0 0 637.432 3.042 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000079209982 553670151 /nfs/dbraw/zinc/67/01/51/553670151.db2.gz PHGHKHVDCGNPQE-RKJAVHAZSA-N 0 0 637.432 3.042 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000079210016 553670177 /nfs/dbraw/zinc/67/01/77/553670177.db2.gz BLRBRAOBLXHYAY-KXWMSWDWSA-N 0 0 640.594 3.083 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc4c(c2)OCCCO4)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000079210026 553670206 /nfs/dbraw/zinc/67/02/06/553670206.db2.gz BLRBRAOBLXHYAY-XITCUVNESA-N 0 0 640.594 3.083 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 ZINC000079228627 553672542 /nfs/dbraw/zinc/67/25/42/553672542.db2.gz FSUAATKDFLAORU-LZEBPPIWSA-N 0 0 647.106 3.248 50 0 biogenic KGAARN CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Sc1nnc(COc2ccc(Cl)cc2)n1C1CCCC1 ZINC000079231984 553672516 /nfs/dbraw/zinc/67/25/16/553672516.db2.gz RFIVAFIZUIRXPQ-GDFOLFDLSA-N 0 0 639.127 3.374 50 0 biogenic KGAARN CCCCCn1c(COc2ccccc2Cl)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000079231993 553672543 /nfs/dbraw/zinc/67/25/43/553672543.db2.gz BFVBUCJGJBPILD-GDFOLFDLSA-N 0 0 641.143 3.449 50 0 biogenic KGAARN Cc1ccc(S(=O)(=O)c2cn(CCOC(=O)Nc3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000080346030 553673179 /nfs/dbraw/zinc/67/31/79/553673179.db2.gz UWEAVGNSIYDESR-UHFFFAOYSA-N 0 0 505.552 3.389 50 0 KGAARN COc1ccc(C(=O)O[C@@H]2c3c(c(-n4c(=O)n5n(c4=O)CCCC5)c(F)cc3Cl)OC2(C)C)cc1 ZINC000085389057 553678836 /nfs/dbraw/zinc/67/88/36/553678836.db2.gz ICCOLCKOONMHNG-HXUWFJFHSA-N 0 0 503.914 3.465 50 0 KGAARN COc1ccc(C(=O)O[C@H]2c3c(c(-n4c(=O)n5n(c4=O)CCCC5)c(F)cc3Cl)OC2(C)C)cc1 ZINC000085389062 553678859 /nfs/dbraw/zinc/67/88/59/553678859.db2.gz ICCOLCKOONMHNG-FQEVSTJZSA-N 0 0 503.914 3.465 50 0 KGAARN 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@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000085537053 553682691 /nfs/dbraw/zinc/68/26/91/553682691.db2.gz ZDZOTLJHXYCWBA-VCVYQWHSSA-N 0 0 807.890 3.260 50 0 biogenic,fda KGAARN COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)CC1 ZINC000085616797 553685455 /nfs/dbraw/zinc/68/54/55/553685455.db2.gz PLPCFNBRCQSKRR-UHFFFAOYSA-N 0 0 502.637 3.224 50 0 KGAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1Cl ZINC000085641516 553685609 /nfs/dbraw/zinc/68/56/09/553685609.db2.gz YQKJAJSHWCJBPA-UHFFFAOYSA-N 0 0 512.053 3.222 50 0 KGAARN CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCOCC4)cs3)CC2)cc1 ZINC000085641551 553685617 /nfs/dbraw/zinc/68/56/17/553685617.db2.gz RQQHURVSSMLNNO-UHFFFAOYSA-N 0 0 505.662 3.383 50 0 KGAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1 ZINC000085641570 553685568 /nfs/dbraw/zinc/68/55/68/553685568.db2.gz CRFJORNQKWMRNR-UHFFFAOYSA-N 0 0 516.016 3.052 50 0 KGAARN O=C(Nc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)CC1 ZINC000085641572 553685585 /nfs/dbraw/zinc/68/55/85/553685585.db2.gz PHNNDSOIFQSYEZ-UHFFFAOYSA-N 0 0 516.016 3.052 50 0 KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085866938 553687468 /nfs/dbraw/zinc/68/74/68/553687468.db2.gz VPFJKBXPAREIHK-XAFFTLPBSA-N 0 0 640.594 3.002 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085866943 553687316 /nfs/dbraw/zinc/68/73/16/553687316.db2.gz VPFJKBXPAREIHK-BTYYIWBCSA-N 0 0 640.594 3.002 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085866947 553687411 /nfs/dbraw/zinc/68/74/11/553687411.db2.gz VPFJKBXPAREIHK-NBUBIBOFSA-N 0 0 640.594 3.002 50 0 biogenic KGAARN CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)oc(C)c(-c2ccc4c(c2)OCCO4)c3=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085866951 553687391 /nfs/dbraw/zinc/68/73/91/553687391.db2.gz VPFJKBXPAREIHK-QGPAZHQZSA-N 0 0 640.594 3.002 50 0 biogenic KGAARN CCc1cc2c(cc1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)occ(-c1ccc3c(c1)OCO3)c2=O ZINC000085866965 553687434 /nfs/dbraw/zinc/68/74/34/553687434.db2.gz NDEVARCRJOYXJL-ICLVLUFYSA-N 0 0 640.594 3.213 50 0 biogenic KGAARN COC(=O)C=Cc1c(C)[nH]c(=O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O ZINC000085867403 553687697 /nfs/dbraw/zinc/68/76/97/553687697.db2.gz MKSSQIPSMKGBQX-HDPDVOOBSA-N 0 0 654.628 3.237 50 0 biogenic KGAARN CC(C)C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)NC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(F)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000085867776 553688137 /nfs/dbraw/zinc/68/81/37/553688137.db2.gz BXKNQKQIBKBMIZ-MOZWKJSSSA-N 0 0 702.784 3.483 50 0 biogenic KGAARN CC1(C)O[C@@H]2O[C@H]([C@@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1 ZINC000085889160 553690270 /nfs/dbraw/zinc/69/02/70/553690270.db2.gz UWNHGNFQFGCESF-CBGNSKTFSA-N 0 0 793.779 3.009 50 0 biogenic KGAARN CC1(C)O[C@@H]2O[C@H]([C@@H](COC(=O)CNC(=O)OCc3ccccc3)OC(=O)CNC(=O)OCc3ccccc3)[C@H](OC(=O)CNC(=O)OCc3ccccc3)[C@@H]2O1 ZINC000085889163 553690248 /nfs/dbraw/zinc/69/02/48/553690248.db2.gz UWNHGNFQFGCESF-REVRJXTHSA-N 0 0 793.779 3.009 50 0 biogenic KGAARN 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@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C ZINC000085914855 553692314 /nfs/dbraw/zinc/69/23/14/553692314.db2.gz ZDZOTLJHXYCWBA-JDVNGFAUSA-N 0 0 807.890 3.464 50 0 biogenic,world KGAARN COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCN(c5cccc(C)c5)CC4)cc3)c(=O)c2cc1OC ZINC000085942067 553692561 /nfs/dbraw/zinc/69/25/61/553692561.db2.gz GGMUOCGBLFLFRZ-UHFFFAOYSA-N 0 0 514.582 3.026 50 0 KGAARN O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000089841016 1060002832 /nfs/dbraw/zinc/00/28/32/1060002832.db2.gz HHNZUUICOWVJCZ-YVWYTEFXSA-N 0 0 525.652 3.394 50 0 KGAARN O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000089841018 1060002853 /nfs/dbraw/zinc/00/28/53/1060002853.db2.gz HHNZUUICOWVJCZ-NJTIBFSMSA-N 0 0 525.652 3.394 50 0 KGAARN 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@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000094303247 553696302 /nfs/dbraw/zinc/69/63/02/553696302.db2.gz TYLVGQKNNUHXIP-MHHARFCSSA-N 0 0 811.881 3.165 50 0 biogenic,in-vitro KGAARN 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@@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000094303281 553696294 /nfs/dbraw/zinc/69/62/94/553696294.db2.gz ZDZOTLJHXYCWBA-KWUUUEAUSA-N 0 0 807.890 3.260 50 0 KGAARN Cc1ccccc1-n1c(SCCS(C)(=O)=O)nnc1-c1cn(CCS(C)(=O)=O)c2ccccc12 ZINC000095462709 553701126 /nfs/dbraw/zinc/70/11/26/553701126.db2.gz MZSPEDNPUUVRMH-UHFFFAOYSA-N 0 0 518.686 3.379 50 0 KGAARN O=C1C[C@H](N2CCN(C/C=C\c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000095531913 553702437 /nfs/dbraw/zinc/70/24/37/553702437.db2.gz AHQIAXJKUVIOBN-PAKAJVGYSA-N 0 0 501.368 3.254 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000095531942 553702784 /nfs/dbraw/zinc/70/27/84/553702784.db2.gz IIJPGUVYCGCBSL-FQEVSTJZSA-N 0 0 501.377 3.241 50 0 KGAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000095531943 553702738 /nfs/dbraw/zinc/70/27/38/553702738.db2.gz IIJPGUVYCGCBSL-HXUWFJFHSA-N 0 0 501.377 3.241 50 0 KGAARN 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@@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000095543494 553703052 /nfs/dbraw/zinc/70/30/52/553703052.db2.gz ZDZOTLJHXYCWBA-GXCNZREGSA-N 0 0 807.890 3.260 50 0 KGAARN 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@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000095546207 553703431 /nfs/dbraw/zinc/70/34/31/553703431.db2.gz ZDZOTLJHXYCWBA-BSEPLHNVSA-N 0 0 807.890 3.260 50 0 investigational KGAARN COc1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)ccc1OC(F)F ZINC000095566367 553704630 /nfs/dbraw/zinc/70/46/30/553704630.db2.gz RHJFOKVIGVWIER-RMKNXTFCSA-N 0 0 538.569 3.003 50 0 KGAARN CCCCn1c(N)c(N(CCOC)C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(=O)[nH]c1=O ZINC000095567351 553704626 /nfs/dbraw/zinc/70/46/26/553704626.db2.gz YRCMUKZWGINSQJ-NRFANRHFSA-N 0 0 542.036 3.113 50 0 KGAARN CCCCn1c(N)c(N(CCOC)C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c(=O)[nH]c1=O ZINC000095567352 553704637 /nfs/dbraw/zinc/70/46/37/553704637.db2.gz YRCMUKZWGINSQJ-OAQYLSRUSA-N 0 0 542.036 3.113 50 0 KGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)CC2)c(C)c1 ZINC000095567656 553704655 /nfs/dbraw/zinc/70/46/55/553704655.db2.gz UFZNHPCVUFWZQM-UHFFFAOYSA-N 0 0 520.822 3.349 50 0 KGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000095570515 553705108 /nfs/dbraw/zinc/70/51/08/553705108.db2.gz VDVWCQZRWRGTRE-BGYRXZFFSA-N 0 0 547.674 3.371 50 0 KGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000095570516 553705103 /nfs/dbraw/zinc/70/51/03/553705103.db2.gz VDVWCQZRWRGTRE-WOJBJXKFSA-N 0 0 547.674 3.371 50 0 KGAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000095570517 553705057 /nfs/dbraw/zinc/70/50/57/553705057.db2.gz VDVWCQZRWRGTRE-PMACEKPBSA-N 0 0 547.674 3.371 50 0 KGAARN CCCCN(C(=O)c1cccc(S(=O)(=O)N(CC)c2ccccc2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000095570837 553705070 /nfs/dbraw/zinc/70/50/70/553705070.db2.gz BQYYQXYBLAQRDF-UHFFFAOYSA-N 0 0 541.674 3.437 50 0 KGAARN CCCCN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000095570981 553705058 /nfs/dbraw/zinc/70/50/58/553705058.db2.gz HWHZCBDJTAPBDD-UHFFFAOYSA-N 0 0 541.674 3.355 50 0 KGAARN CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000095571016 553705065 /nfs/dbraw/zinc/70/50/65/553705065.db2.gz IVYQPSHHYIAUFO-VXKWHMMOSA-N 0 0 655.626 3.363 50 0 in-vitro KGAARN 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@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000095610544 553705564 /nfs/dbraw/zinc/70/55/64/553705564.db2.gz ZDZOTLJHXYCWBA-SAVFJILCSA-N 0 0 807.890 3.260 50 0 KGAARN CC(=O)OC[C@H]1O[C@@H](Oc2c(Br)cc(Br)cc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095660853 553706549 /nfs/dbraw/zinc/70/65/49/553706549.db2.gz QQLSQKBJOXHUDS-PKOFMYQESA-N 0 0 661.090 3.436 50 0 KGAARN CCOC(=O)C1=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@@H]1c1ccc(SC)cc1 ZINC000095707566 553709394 /nfs/dbraw/zinc/70/93/94/553709394.db2.gz ZFHDENDXJHUODG-MEPUESOJSA-N 0 0 568.742 3.384 50 0 KGAARN CCOC(=O)C1=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2C(N)=C(C(=O)OCC)[C@H]1c1ccc(SC)cc1 ZINC000095707568 553709401 /nfs/dbraw/zinc/70/94/01/553709401.db2.gz ZFHDENDXJHUODG-LSSXRZCCSA-N 0 0 568.742 3.384 50 0 KGAARN O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000095722663 553710083 /nfs/dbraw/zinc/71/00/83/553710083.db2.gz RTZIJOKGKGBTAB-LJQANCHMSA-N 0 0 526.057 3.305 50 0 KGAARN CC(C)(CO)c1cc2cc(NC(=O)C3(c4cccc5c4OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO ZINC000095743504 553712678 /nfs/dbraw/zinc/71/26/78/553712678.db2.gz NXDMCSXKTNIDTQ-OAHLLOKOSA-N 0 0 520.504 3.395 50 0 KGAARN COC(=O)c1cc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(C(=O)OC)c1 ZINC000095929392 553715301 /nfs/dbraw/zinc/71/53/01/553715301.db2.gz VJZTZSKADUFFQB-HSZRJFAPSA-N 0 0 500.511 3.221 50 0 KGAARN COC(=O)c1cc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc(C(=O)OC)c1 ZINC000095929393 553715326 /nfs/dbraw/zinc/71/53/26/553715326.db2.gz VJZTZSKADUFFQB-QHCPKHFHSA-N 0 0 500.511 3.221 50 0 KGAARN COc1ncc(-c2cc3n[nH]cc3c(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c2)cc1NS(C)(=O)=O ZINC000095938263 553715223 /nfs/dbraw/zinc/71/52/23/553715223.db2.gz NLUPPCTVKHDVIQ-GASCZTMLSA-N 0 0 512.592 3.269 50 0 in-vitro KGAARN COc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)CC2)ccc1Cl ZINC000095945979 553715799 /nfs/dbraw/zinc/71/57/99/553715799.db2.gz JUJGCLOAYNNZQR-UHFFFAOYSA-N 0 0 509.433 3.096 50 0 KGAARN COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)[C@H](C)C2)ccc1Cl ZINC000095946082 553715813 /nfs/dbraw/zinc/71/58/13/553715813.db2.gz LSYVLBKOROTCMX-CYBMUJFWSA-N 0 0 509.433 3.094 50 0 KGAARN COc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(OC)c3)[C@@H](C)C2)ccc1Cl ZINC000095946083 553715839 /nfs/dbraw/zinc/71/58/39/553715839.db2.gz LSYVLBKOROTCMX-ZDUSSCGKSA-N 0 0 509.433 3.094 50 0 KGAARN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 ZINC000095946086 553715770 /nfs/dbraw/zinc/71/57/70/553715770.db2.gz NSIXQZWXHPUZJO-UHFFFAOYSA-N 0 0 523.460 3.486 50 0 KGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000095946367 553716131 /nfs/dbraw/zinc/71/61/31/553716131.db2.gz ZBSUEIKLNDSQLM-CYBMUJFWSA-N 0 0 509.433 3.094 50 0 KGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000095946368 553716138 /nfs/dbraw/zinc/71/61/38/553716138.db2.gz ZBSUEIKLNDSQLM-ZDUSSCGKSA-N 0 0 509.433 3.094 50 0 KGAARN CCOc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(OCC)c3)CC2)ccc1Cl ZINC000095946468 553716137 /nfs/dbraw/zinc/71/61/37/553716137.db2.gz XUMBOGHQRDQYPQ-UHFFFAOYSA-N 0 0 523.460 3.486 50 0 KGAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)[nH]c1=O ZINC000096019754 553716572 /nfs/dbraw/zinc/71/65/72/553716572.db2.gz WHXSGIZEHXLRNZ-UHFFFAOYSA-N 0 0 538.033 3.337 50 0 KGAARN Cn1c2nc(N3CCN(c4ccccc4)CC3)n(CCSc3nc4ccccc4s3)c2c(=O)n(C)c1=O ZINC000096019864 553716861 /nfs/dbraw/zinc/71/68/61/553716861.db2.gz JCKAYWLKLXQQAW-UHFFFAOYSA-N 0 0 533.683 3.162 50 0 KGAARN Cn1c2nc(N3CCN(c4cccc(Cl)c4)CC3)n(CCSc3nc4ccccc4o3)c2c(=O)n(C)c1=O ZINC000096019866 553716859 /nfs/dbraw/zinc/71/68/59/553716859.db2.gz MBKLKUIWTWMSBR-UHFFFAOYSA-N 0 0 552.060 3.347 50 0 KGAARN O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000096021437 553717145 /nfs/dbraw/zinc/71/71/45/553717145.db2.gz GKJKOUGCFJCOHX-UHFFFAOYSA-N 0 0 564.689 3.273 50 0 KGAARN O=C(COC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000096021607 553717484 /nfs/dbraw/zinc/71/74/84/553717484.db2.gz MAVSOTRMVPMGCN-INIZCTEOSA-N 0 0 528.587 3.292 50 0 KGAARN O=C(COC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000096021608 553717412 /nfs/dbraw/zinc/71/74/12/553717412.db2.gz MAVSOTRMVPMGCN-MRXNPFEDSA-N 0 0 528.587 3.292 50 0 KGAARN CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000096021611 553717380 /nfs/dbraw/zinc/71/73/80/553717380.db2.gz IKCJVWYMKCZSQO-UHFFFAOYSA-N 0 0 534.587 3.306 50 0 KGAARN O=C1CN(c2ccccc2I)C(=O)CN1c1ccccc1I ZINC000096021674 553717415 /nfs/dbraw/zinc/71/74/15/553717415.db2.gz JHHWIZRSSRVHOG-UHFFFAOYSA-N 0 0 518.092 3.276 50 0 KGAARN COc1ccc(CCN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1 ZINC000096021723 553717616 /nfs/dbraw/zinc/71/76/16/553717616.db2.gz OKTPDACNLGGNMC-UHFFFAOYSA-N 0 0 587.633 3.448 50 0 KGAARN NC(=O)N[C@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Oc2ccccc2)c1 ZINC000096021753 553717630 /nfs/dbraw/zinc/71/76/30/553717630.db2.gz MGRLCIBPHPJGAG-OAQYLSRUSA-N 0 0 534.525 3.241 50 0 KGAARN NC(=O)N[C@@H](CC(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1cccc(Oc2ccccc2)c1 ZINC000096021754 553717652 /nfs/dbraw/zinc/71/76/52/553717652.db2.gz MGRLCIBPHPJGAG-NRFANRHFSA-N 0 0 534.525 3.241 50 0 KGAARN COc1ccc(CN(Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OC ZINC000096021793 553717892 /nfs/dbraw/zinc/71/78/92/553717892.db2.gz KLSAZRQBHCMCDV-UHFFFAOYSA-N 0 0 603.632 3.414 50 0 KGAARN CC1(C)C[C@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1 ZINC000096022122 553719580 /nfs/dbraw/zinc/71/95/80/553719580.db2.gz KOTDICDAMJYQNG-WTYVLRPYSA-N 0 0 606.782 3.340 50 0 KGAARN CC1(C)C[C@@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1 ZINC000096022123 553719634 /nfs/dbraw/zinc/71/96/34/553719634.db2.gz KOTDICDAMJYQNG-PIIWDFAUSA-N 0 0 606.782 3.340 50 0 KGAARN CC1(C)C[C@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1 ZINC000096022124 553719623 /nfs/dbraw/zinc/71/96/23/553719623.db2.gz KOTDICDAMJYQNG-MMTVBGGISA-N 0 0 606.782 3.340 50 0 KGAARN CC1(C)C[C@@H](NC(=O)CSc2nnnn2-c2ccccc2)C[C@](C)(CNC(=O)CSc2nnnn2-c2ccccc2)C1 ZINC000096022125 553719671 /nfs/dbraw/zinc/71/96/71/553719671.db2.gz KOTDICDAMJYQNG-NGOKVRLYSA-N 0 0 606.782 3.340 50 0 KGAARN CC(C)C[C@H](C(=O)NCCCCNC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000096022164 553719903 /nfs/dbraw/zinc/71/99/03/553719903.db2.gz AKUVOYXIRQRYKX-WMPKNSHKSA-N 0 0 574.678 3.421 50 0 KGAARN CC(C)C[C@H](C(=O)NCCCCNC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000096022165 553719850 /nfs/dbraw/zinc/71/98/50/553719850.db2.gz AKUVOYXIRQRYKX-CLJLJLNGSA-N 0 0 574.678 3.421 50 0 KGAARN CC(C)C[C@@H](C(=O)NCCCCNC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000096022166 553719879 /nfs/dbraw/zinc/71/98/79/553719879.db2.gz AKUVOYXIRQRYKX-UIOOFZCWSA-N 0 0 574.678 3.421 50 0 KGAARN O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1ccc(S(=O)(=O)N4CCOCC4)cc1)(C3)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096022608 553721761 /nfs/dbraw/zinc/72/17/61/553721761.db2.gz ZKLCPGWTUWSQQY-UHFFFAOYSA-N 0 0 728.934 3.255 50 0 KGAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCN(CCc2ccncc2)CC1 ZINC000096114035 553724652 /nfs/dbraw/zinc/72/46/52/553724652.db2.gz KUJCJXYUNDOFAZ-UHFFFAOYSA-N 0 0 518.621 3.356 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000096114970 553725396 /nfs/dbraw/zinc/72/53/96/553725396.db2.gz NZQHCASYTDQQPK-BVAGGSTKSA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000096114971 553725377 /nfs/dbraw/zinc/72/53/77/553725377.db2.gz NZQHCASYTDQQPK-ZEQKJWHPSA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000096114972 553725462 /nfs/dbraw/zinc/72/54/62/553725462.db2.gz NZQHCASYTDQQPK-OZXSUGGESA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OCC(N)=O)c(OC)c2)cc1 ZINC000096114973 553725374 /nfs/dbraw/zinc/72/53/74/553725374.db2.gz NZQHCASYTDQQPK-JYFHCDHNSA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1 ZINC000096115359 553725664 /nfs/dbraw/zinc/72/56/64/553725664.db2.gz GYTYRXXDTICQRB-BVAGGSTKSA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1 ZINC000096115360 553725789 /nfs/dbraw/zinc/72/57/89/553725789.db2.gz GYTYRXXDTICQRB-ZEQKJWHPSA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1 ZINC000096115361 553725768 /nfs/dbraw/zinc/72/57/68/553725768.db2.gz GYTYRXXDTICQRB-OZXSUGGESA-N 0 0 516.506 3.206 50 0 biogenic KGAARN COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1 ZINC000096115362 553725807 /nfs/dbraw/zinc/72/58/07/553725807.db2.gz GYTYRXXDTICQRB-JYFHCDHNSA-N 0 0 516.506 3.206 50 0 biogenic KGAARN O=C(Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2)N1CCN(Cc2cccnc2)CC1 ZINC000096115915 553726622 /nfs/dbraw/zinc/72/66/22/553726622.db2.gz PRMVCWXKGNXBEK-UHFFFAOYSA-N 0 0 504.594 3.314 50 0 biogenic KGAARN CCOC(=O)c1c2c(sc1NC(=O)/C=C\c1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2 ZINC000096117675 553726714 /nfs/dbraw/zinc/72/67/14/553726714.db2.gz UUWXHBMNXPPLPK-XFXZXTDPSA-N 0 0 504.630 3.476 50 0 KGAARN CCOC(=O)/C=C\c1ccc(NC(=O)CSc2nnc3ccc(S(=O)(=O)N(CC)CC)cn32)cc1 ZINC000096129568 553727112 /nfs/dbraw/zinc/72/71/12/553727112.db2.gz JHHJQAOCPBLNSU-ZROIWOOFSA-N 0 0 517.633 3.067 50 0 KGAARN CC[C@@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000096210043 553728824 /nfs/dbraw/zinc/72/88/24/553728824.db2.gz UAJRWDBHLFUVEB-HXOBKFHXSA-N 0 0 515.557 3.362 50 0 KGAARN CC[C@H](C)NC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000096210044 553728859 /nfs/dbraw/zinc/72/88/59/553728859.db2.gz UAJRWDBHLFUVEB-SBUREZEXSA-N 0 0 515.557 3.362 50 0 KGAARN CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000096210045 553728901 /nfs/dbraw/zinc/72/89/01/553728901.db2.gz UAJRWDBHLFUVEB-UZUQRXQVSA-N 0 0 515.557 3.362 50 0 KGAARN CC[C@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1C(=O)c1ccc(OC)cc1 ZINC000096210046 553728815 /nfs/dbraw/zinc/72/88/15/553728815.db2.gz UAJRWDBHLFUVEB-GAJHUEQPSA-N 0 0 515.557 3.362 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1 ZINC000096210057 553728831 /nfs/dbraw/zinc/72/88/31/553728831.db2.gz DOJFOVMVVQVHRP-DEOSSOPVSA-N 0 0 503.555 3.078 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1 ZINC000096210058 553728862 /nfs/dbraw/zinc/72/88/62/553728862.db2.gz DOJFOVMVVQVHRP-XMMPIXPASA-N 0 0 503.555 3.078 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccc2)N3C(=O)c2ccccc2)cc1 ZINC000096210059 553728844 /nfs/dbraw/zinc/72/88/44/553728844.db2.gz AITUATXJDCXHPE-SANMLTNESA-N 0 0 513.594 3.485 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccccc2)cc1 ZINC000096210060 553728896 /nfs/dbraw/zinc/72/88/96/553728896.db2.gz AITUATXJDCXHPE-AREMUKBSSA-N 0 0 513.594 3.485 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000096210284 553729355 /nfs/dbraw/zinc/72/93/55/553729355.db2.gz XWDARZYLOSILQT-XMMPIXPASA-N 0 0 527.021 3.320 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000096210285 553729398 /nfs/dbraw/zinc/72/93/98/553729398.db2.gz XWDARZYLOSILQT-DEOSSOPVSA-N 0 0 527.021 3.320 50 0 KGAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)cc1)C(=O)C1CCCC1 ZINC000096210740 553729314 /nfs/dbraw/zinc/72/93/14/553729314.db2.gz PACYECJCHVMLCG-UHFFFAOYSA-N 0 0 510.610 3.392 50 0 KGAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@@H]2CCCO2)C1=O ZINC000096211134 553729866 /nfs/dbraw/zinc/72/98/66/553729866.db2.gz JGGXDRKJFALEPQ-AZUAARDMSA-N 0 0 503.587 3.212 50 0 KGAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@@H]2CCCO2)C1=O ZINC000096211135 553729829 /nfs/dbraw/zinc/72/98/29/553729829.db2.gz JGGXDRKJFALEPQ-ICSRJNTNSA-N 0 0 503.587 3.212 50 0 KGAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@H]2CCCO2)C1=O ZINC000096211136 553729952 /nfs/dbraw/zinc/72/99/52/553729952.db2.gz JGGXDRKJFALEPQ-UYAOXDASSA-N 0 0 503.587 3.212 50 0 KGAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(C[C@H]2CCCO2)C1=O ZINC000096211137 553729942 /nfs/dbraw/zinc/72/99/42/553729942.db2.gz JGGXDRKJFALEPQ-QUCCMNQESA-N 0 0 503.587 3.212 50 0 KGAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@@H]2CCCO2)C1=O ZINC000096211138 553729924 /nfs/dbraw/zinc/72/99/24/553729924.db2.gz KOGJNKKQKOBHII-FUHWJXTLSA-N 0 0 504.480 3.500 50 0 KGAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@@H]2CCCO2)C1=O ZINC000096211139 553729876 /nfs/dbraw/zinc/72/98/76/553729876.db2.gz KOGJNKKQKOBHII-WMZOPIPTSA-N 0 0 504.480 3.500 50 0 KGAARN CC(C)C[C@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@H]2CCCO2)C1=O ZINC000096211140 553729964 /nfs/dbraw/zinc/72/99/64/553729964.db2.gz KOGJNKKQKOBHII-SJLPKXTDSA-N 0 0 504.480 3.500 50 0 KGAARN CC(C)C[C@@H]1NC2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(C[C@H]2CCCO2)C1=O ZINC000096211141 553729881 /nfs/dbraw/zinc/72/98/81/553729881.db2.gz KOGJNKKQKOBHII-AEFFLSMTSA-N 0 0 504.480 3.500 50 0 KGAARN COCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000096211341 553729969 /nfs/dbraw/zinc/72/99/69/553729969.db2.gz UFXBLQOHKBDGBZ-NHCUHLMSSA-N 0 0 500.539 3.271 50 0 KGAARN COCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000096211342 553729939 /nfs/dbraw/zinc/72/99/39/553729939.db2.gz UFXBLQOHKBDGBZ-RTWAWAEBSA-N 0 0 500.539 3.271 50 0 KGAARN COCCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1C ZINC000096211920 553729863 /nfs/dbraw/zinc/72/98/63/553729863.db2.gz OVHSVTGYSDFNHG-UHFFFAOYSA-N 0 0 517.630 3.288 50 0 KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096220980 553730224 /nfs/dbraw/zinc/73/02/24/553730224.db2.gz QSAPNUVFLUBPEL-NRFANRHFSA-N 0 0 511.619 3.437 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222018 553730994 /nfs/dbraw/zinc/73/09/94/553730994.db2.gz DYKSDCABMLTVBX-KKSFZXQISA-N 0 0 511.619 3.436 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222316 553730871 /nfs/dbraw/zinc/73/08/71/553730871.db2.gz LVALJNFSQUPSAY-NRFANRHFSA-N 0 0 509.603 3.334 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222428 553730847 /nfs/dbraw/zinc/73/08/47/553730847.db2.gz YUUMOKSDBBAYMO-NRFANRHFSA-N 0 0 521.570 3.184 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CCCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222511 553731264 /nfs/dbraw/zinc/73/12/64/553731264.db2.gz SHBRFILAGHXRTJ-NRFANRHFSA-N 0 0 509.603 3.334 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3nccs3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000096222634 553731326 /nfs/dbraw/zinc/73/13/26/553731326.db2.gz KGFKFOBBETVZNM-SFHVURJKSA-N 0 0 524.599 3.370 50 0 biogenic KGAARN CCS(=O)(=O)N(CCOC)CC(=O)N(Cc1cccc(F)c1)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000096247488 553731759 /nfs/dbraw/zinc/73/17/59/553731759.db2.gz HPVWDOYXUFKBBA-UHFFFAOYSA-N 0 0 533.666 3.066 50 0 KGAARN COc1ccc([C@@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3C)cc1OC ZINC000096279198 553736008 /nfs/dbraw/zinc/73/60/08/553736008.db2.gz QMFYJOQPOGCMCR-SANMLTNESA-N 0 0 522.627 3.132 50 0 KGAARN COc1ccc([C@H]2SCC(=O)N(CC(=O)N3CCOCC3)c3c2c(-c2ccccc2)nn3C)cc1OC ZINC000096279199 553735999 /nfs/dbraw/zinc/73/59/99/553735999.db2.gz QMFYJOQPOGCMCR-AREMUKBSSA-N 0 0 522.627 3.132 50 0 KGAARN CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000096279601 553736267 /nfs/dbraw/zinc/73/62/67/553736267.db2.gz RNRUBCPGDIUFLK-QFIPXVFZSA-N 0 0 501.509 3.032 50 0 KGAARN CCN1C2=C(C(=O)N(CCC(=O)NCCc3ccccn3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000096279602 553736314 /nfs/dbraw/zinc/73/63/14/553736314.db2.gz RNRUBCPGDIUFLK-JOCHJYFZSA-N 0 0 501.509 3.032 50 0 KGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000096279774 553736283 /nfs/dbraw/zinc/73/62/83/553736283.db2.gz KUXFGJHRMOYFSZ-DEOSSOPVSA-N 0 0 526.609 3.091 50 0 KGAARN CCC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000096279775 553736282 /nfs/dbraw/zinc/73/62/82/553736282.db2.gz KUXFGJHRMOYFSZ-XMMPIXPASA-N 0 0 526.609 3.091 50 0 KGAARN COCCNC(=O)c1ccc(CSc2nc(COC)cc(N3CCN(c4ccccc4F)CC3)n2)o1 ZINC000096279922 553736587 /nfs/dbraw/zinc/73/65/87/553736587.db2.gz OPLNYILJRZFDAU-UHFFFAOYSA-N 0 0 515.611 3.350 50 0 KGAARN CC[C@@H](C)CN(CC(=O)N1CCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)NC(C)C ZINC000096280047 553736585 /nfs/dbraw/zinc/73/65/85/553736585.db2.gz KODUOIVIEZOZHK-HXUWFJFHSA-N 0 0 512.655 3.276 50 0 KGAARN 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553979460 /nfs/dbraw/zinc/97/94/60/553979460.db2.gz MBXMKUZBKVVRHE-BUHFOSPRSA-N 0 0 570.583 3.488 50 0 KGAARN CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000097979453 553979458 /nfs/dbraw/zinc/97/94/58/553979458.db2.gz RWEDWRADADPCIR-MDRMPYQZSA-N 0 0 561.616 3.238 50 0 KGAARN CCN(C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000097979454 553979462 /nfs/dbraw/zinc/97/94/62/553979462.db2.gz RWEDWRADADPCIR-OTOIZHKDSA-N 0 0 561.616 3.238 50 0 KGAARN COc1cc(/C=C/C(=O)OCC(=O)NCCc2ccccc2)cc(S(=O)(=O)N2CCc3ccccc32)c1OC ZINC000097979535 553980261 /nfs/dbraw/zinc/98/02/61/553980261.db2.gz ODVMZCXKSOYZDB-OUKQBFOZSA-N 0 0 550.633 3.371 50 0 KGAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000097979568 553980535 /nfs/dbraw/zinc/98/05/35/553980535.db2.gz YMEMEIZBFDVHAH-UNOMPAQXSA-N 0 0 528.591 3.063 50 0 KGAARN O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000097979755 553981988 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O=C(CCN(CCCN1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCCN1CCOCC1 ZINC000098009845 554071587 /nfs/dbraw/zinc/07/15/87/554071587.db2.gz RFOZCEMWAOJVKM-UHFFFAOYSA-N 0 0 567.134 3.317 50 0 KGAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3C)[C@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000098011648 554082971 /nfs/dbraw/zinc/08/29/71/554082971.db2.gz JOBGWQDWEZULID-SANMLTNESA-N 0 0 539.608 3.225 50 0 KGAARN CC(=O)N1CCN(C(=O)CN2c3c(c(-c4ccccc4)nn3C)[C@@H](c3ccc(F)cc3F)SCC2=O)CC1 ZINC000098011649 554082974 /nfs/dbraw/zinc/08/29/74/554082974.db2.gz JOBGWQDWEZULID-AREMUKBSSA-N 0 0 539.608 3.225 50 0 KGAARN O=C(NC[C@@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014625 554091487 /nfs/dbraw/zinc/09/14/87/554091487.db2.gz ABLXPYZHRMNQLC-REWPJTCUSA-N 0 0 529.996 3.248 50 0 KGAARN O=C(NC[C@@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014626 554091505 /nfs/dbraw/zinc/09/15/05/554091505.db2.gz ABLXPYZHRMNQLC-NZQKXSOJSA-N 0 0 529.996 3.248 50 0 KGAARN O=C(NC[C@H]1CCCO1)[C@@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014627 554091397 /nfs/dbraw/zinc/09/13/97/554091397.db2.gz ABLXPYZHRMNQLC-OFNKIYASSA-N 0 0 529.996 3.248 50 0 KGAARN O=C(NC[C@H]1CCCO1)[C@H]1COC2(CCN(C(=O)c3ccccc3Cl)CC2)N1C(=O)c1ccc(F)cc1 ZINC000098014628 554091427 /nfs/dbraw/zinc/09/14/27/554091427.db2.gz ABLXPYZHRMNQLC-NFBKMPQASA-N 0 0 529.996 3.248 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccc(F)cc2)cc1 ZINC000098014629 554091507 /nfs/dbraw/zinc/09/15/07/554091507.db2.gz OFBWVIYSUOMGLC-VWLOTQADSA-N 0 0 575.593 3.353 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccc(F)cc2)cc1 ZINC000098014630 554091495 /nfs/dbraw/zinc/09/14/95/554091495.db2.gz OFBWVIYSUOMGLC-RUZDIDTESA-N 0 0 575.593 3.353 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)c1 ZINC000098014639 554091534 /nfs/dbraw/zinc/09/15/34/554091534.db2.gz AVQHRMORIKBCPZ-VWLOTQADSA-N 0 0 532.572 3.019 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2cccnc2)N3C(=O)c2ccc(F)cc2)c1 ZINC000098014640 554091466 /nfs/dbraw/zinc/09/14/66/554091466.db2.gz AVQHRMORIKBCPZ-RUZDIDTESA-N 0 0 532.572 3.019 50 0 KGAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1ccco1)N2C(=O)c1ccc(F)cc1 ZINC000098014649 554091792 /nfs/dbraw/zinc/09/17/92/554091792.db2.gz OGAWSDGHBUXTEV-QFIPXVFZSA-N 0 0 551.571 3.226 50 0 KGAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1ccco1)N2C(=O)c1ccc(F)cc1 ZINC000098014650 554091783 /nfs/dbraw/zinc/09/17/83/554091783.db2.gz OGAWSDGHBUXTEV-JOCHJYFZSA-N 0 0 551.571 3.226 50 0 KGAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(F)cc1 ZINC000098014651 554091779 /nfs/dbraw/zinc/09/17/79/554091779.db2.gz NUPJPSGOIJZJJD-QHCPKHFHSA-N 0 0 562.598 3.028 50 0 KGAARN COc1cccc(OC)c1C(=O)N1CCC2(CC1)OC[C@H](C(=O)NCc1cccnc1)N2C(=O)c1ccc(F)cc1 ZINC000098014652 554091821 /nfs/dbraw/zinc/09/18/21/554091821.db2.gz NUPJPSGOIJZJJD-HSZRJFAPSA-N 0 0 562.598 3.028 50 0 KGAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014681 554092145 /nfs/dbraw/zinc/09/21/45/554092145.db2.gz PSRFZKGMTYMAGL-VWLOTQADSA-N 0 0 533.581 3.087 50 0 KGAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014682 554092058 /nfs/dbraw/zinc/09/20/58/554092058.db2.gz PSRFZKGMTYMAGL-RUZDIDTESA-N 0 0 533.581 3.087 50 0 KGAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014683 554092133 /nfs/dbraw/zinc/09/21/33/554092133.db2.gz NNGZNHQRIMNVIC-MHZLTWQESA-N 0 0 543.620 3.494 50 0 KGAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014684 554092129 /nfs/dbraw/zinc/09/21/29/554092129.db2.gz NNGZNHQRIMNVIC-HHHXNRCGSA-N 0 0 543.620 3.494 50 0 KGAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014691 554092054 /nfs/dbraw/zinc/09/20/54/554092054.db2.gz UDYFKVGPXDKWJF-SANMLTNESA-N 0 0 587.629 3.222 50 0 KGAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccc4c(c3)OCO4)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014692 554092070 /nfs/dbraw/zinc/09/20/70/554092070.db2.gz UDYFKVGPXDKWJF-AREMUKBSSA-N 0 0 587.629 3.222 50 0 KGAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000098014711 554092113 /nfs/dbraw/zinc/09/21/13/554092113.db2.gz BULLDZFHMBZXRP-VWLOTQADSA-N 0 0 532.572 3.019 50 0 KGAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2cccc(F)c2)CC3)cc1 ZINC000098014712 554092062 /nfs/dbraw/zinc/09/20/62/554092062.db2.gz BULLDZFHMBZXRP-RUZDIDTESA-N 0 0 532.572 3.019 50 0 KGAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014723 554092452 /nfs/dbraw/zinc/09/24/52/554092452.db2.gz DRYRSTVQOBDBJZ-VWLOTQADSA-N 0 0 557.603 3.214 50 0 KGAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014724 554092527 /nfs/dbraw/zinc/09/25/27/554092527.db2.gz DRYRSTVQOBDBJZ-RUZDIDTESA-N 0 0 557.603 3.214 50 0 KGAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(OC)cc2)cc1 ZINC000098014763 554092716 /nfs/dbraw/zinc/09/27/16/554092716.db2.gz SEVOKULYVHOHSV-MHZLTWQESA-N 0 0 542.636 3.443 50 0 KGAARN CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccc(OC)cc2)cc1 ZINC000098014764 554092758 /nfs/dbraw/zinc/09/27/58/554092758.db2.gz SEVOKULYVHOHSV-HHHXNRCGSA-N 0 0 542.636 3.443 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1 ZINC000098014765 554092733 /nfs/dbraw/zinc/09/27/33/554092733.db2.gz NBXSJXNJZVSFEO-DEOSSOPVSA-N 0 0 545.567 3.344 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1COC2(CCN(C(=O)c3ccccc3F)CC2)N1C(=O)c1ccccc1 ZINC000098014766 554092753 /nfs/dbraw/zinc/09/27/53/554092753.db2.gz NBXSJXNJZVSFEO-XMMPIXPASA-N 0 0 545.567 3.344 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1 ZINC000098014767 554092737 /nfs/dbraw/zinc/09/27/37/554092737.db2.gz IIONXJUOIFUMLC-DEOSSOPVSA-N 0 0 545.567 3.344 50 0 KGAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)N1C(=O)c1ccccc1 ZINC000098014768 554092756 /nfs/dbraw/zinc/09/27/56/554092756.db2.gz IIONXJUOIFUMLC-XMMPIXPASA-N 0 0 545.567 3.344 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)c1 ZINC000098014775 554092765 /nfs/dbraw/zinc/09/27/65/554092765.db2.gz AUKJIMXWJPWENV-VWLOTQADSA-N 0 0 557.603 3.214 50 0 KGAARN COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccc4c(c2)OCO4)N3C(=O)c2ccccc2)c1 ZINC000098014776 554092755 /nfs/dbraw/zinc/09/27/55/554092755.db2.gz AUKJIMXWJPWENV-RUZDIDTESA-N 0 0 557.603 3.214 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1OC ZINC000098014781 554092729 /nfs/dbraw/zinc/09/27/29/554092729.db2.gz ATKIYUASGSNVAW-QHCPKHFHSA-N 0 0 533.581 3.087 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccco2)N3C(=O)c2ccccc2)cc1OC ZINC000098014782 554092744 /nfs/dbraw/zinc/09/27/44/554092744.db2.gz ATKIYUASGSNVAW-HSZRJFAPSA-N 0 0 533.581 3.087 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000098014819 554093074 /nfs/dbraw/zinc/09/30/74/554093074.db2.gz KWVLWRPHEIMJKO-VWLOTQADSA-N 0 0 534.563 3.458 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000098014820 554093045 /nfs/dbraw/zinc/09/30/45/554093045.db2.gz KWVLWRPHEIMJKO-RUZDIDTESA-N 0 0 534.563 3.458 50 0 KGAARN Cc1cccc(C(=O)N2[C@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000098014821 554093055 /nfs/dbraw/zinc/09/30/55/554093055.db2.gz AYSYLQYPDPJWBK-VWLOTQADSA-N 0 0 534.563 3.458 50 0 KGAARN Cc1cccc(C(=O)N2[C@@H](C(=O)NCc3cccnc3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)c1 ZINC000098014822 554093065 /nfs/dbraw/zinc/09/30/65/554093065.db2.gz AYSYLQYPDPJWBK-RUZDIDTESA-N 0 0 534.563 3.458 50 0 KGAARN COc1ccc(C(=O)N2[C@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1 ZINC000098014847 554093240 /nfs/dbraw/zinc/09/32/40/554093240.db2.gz MJNYNISQNOAEDM-VWLOTQADSA-N 0 0 533.650 3.476 50 0 KGAARN COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)Cc2cccs2)CC3)cc1 ZINC000098014848 554093266 /nfs/dbraw/zinc/09/32/66/554093266.db2.gz MJNYNISQNOAEDM-RUZDIDTESA-N 0 0 533.650 3.476 50 0 KGAARN Cc1ccc(C(=O)N2[C@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014895 554093891 /nfs/dbraw/zinc/09/38/91/554093891.db2.gz WTMGWGKDLDFNKK-QHCPKHFHSA-N 0 0 531.565 3.107 50 0 KGAARN Cc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccco3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000098014896 554093882 /nfs/dbraw/zinc/09/38/82/554093882.db2.gz WTMGWGKDLDFNKK-HSZRJFAPSA-N 0 0 531.565 3.107 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)cc1OC ZINC000098014915 554093827 /nfs/dbraw/zinc/09/38/27/554093827.db2.gz NCZILBWEEUVBLV-VWLOTQADSA-N 0 0 558.635 3.197 50 0 KGAARN COc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccn2)N3C(=O)c2ccccc2C)cc1OC ZINC000098014916 554093886 /nfs/dbraw/zinc/09/38/86/554093886.db2.gz NCZILBWEEUVBLV-RUZDIDTESA-N 0 0 558.635 3.197 50 0 KGAARN 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O=C(CCCCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCCc1ccc(Cl)cc1 ZINC000100852590 554492758 /nfs/dbraw/zinc/49/27/58/554492758.db2.gz DQXFZAYDQCYQNZ-UHFFFAOYSA-N 0 0 558.038 3.402 50 0 KGAARN CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCc3ccccc3OC)c2=O)cc1 ZINC000100852604 554492812 /nfs/dbraw/zinc/49/28/12/554492812.db2.gz QUIGQMYIOGZHCJ-UHFFFAOYSA-N 0 0 544.608 3.306 50 0 KGAARN CCOC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NCc2ccccc2OC)c1=O ZINC000100852614 554492809 /nfs/dbraw/zinc/49/28/09/554492809.db2.gz GUVKQNBAPILYGR-UHFFFAOYSA-N 0 0 572.618 3.084 50 0 KGAARN COc1ccc(CCNC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NCCc3ccc(Cl)cc3)c2=O)cc1OC ZINC000100852630 554492803 /nfs/dbraw/zinc/49/28/03/554492803.db2.gz NSLKXOBLUYUILY-UHFFFAOYSA-N 0 0 607.107 3.332 50 0 KGAARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C3\c4ccccc4N(C)C3=O)sc2=N1 ZINC000100857936 554493937 /nfs/dbraw/zinc/49/39/37/554493937.db2.gz JJFFNJXSLPPGTH-FEYWKWKCSA-N 0 0 527.627 3.387 50 0 KGAARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C3\c4ccccc4N(C)C3=O)sc2=N1 ZINC000100857937 554493997 /nfs/dbraw/zinc/49/39/97/554493997.db2.gz JJFFNJXSLPPGTH-UGUGFTGJSA-N 0 0 527.627 3.387 50 0 KGAARN CC(=O)c1ccc(N2C(=O)C3=C(C(O)n4nnc5ccccc54)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1 ZINC000100869028 554497476 /nfs/dbraw/zinc/49/74/76/554497476.db2.gz XPHRLBUFNSRYCN-ASDGIDEWSA-N 0 0 503.518 3.364 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1cccs1 ZINC000100871604 554499626 /nfs/dbraw/zinc/49/96/26/554499626.db2.gz JAQLOQMMNQHSNF-WPNIOXTASA-N 0 0 519.442 3.249 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1cccs1 ZINC000100871605 554499609 /nfs/dbraw/zinc/49/96/09/554499609.db2.gz JAQLOQMMNQHSNF-XYSGSMRZSA-N 0 0 519.442 3.249 50 0 KGAARN COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2[C@H]1c1cccs1 ZINC000100871716 554499984 /nfs/dbraw/zinc/49/99/84/554499984.db2.gz JDWWGZBXZLHCHW-GTVARFKMSA-N 0 0 519.442 3.249 50 0 KGAARN 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COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100872795 554501765 /nfs/dbraw/zinc/50/17/65/554501765.db2.gz SNIBNFHAZJOUSH-IZHYLOQSSA-N 0 0 551.712 3.059 50 0 KGAARN COCCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100872857 554501713 /nfs/dbraw/zinc/50/17/13/554501713.db2.gz QHSIFSXLUKBINS-RQZHXJHFSA-N 0 0 573.718 3.315 50 0 KGAARN COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000100872947 554501929 /nfs/dbraw/zinc/50/19/29/554501929.db2.gz PPFMWKFMJAKGKT-RFBIWTDZSA-N 0 0 582.770 3.040 50 0 KGAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CCOC)cc1 ZINC000100873035 554502032 /nfs/dbraw/zinc/50/20/32/554502032.db2.gz NHIRPWYUQVXYOD-RFBIWTDZSA-N 0 0 582.770 3.329 50 0 KGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(NC(C)=O)ccc3n2CCOC)cc1 ZINC000100873054 554501962 /nfs/dbraw/zinc/50/19/62/554501962.db2.gz ZOADIXJGLPGYGM-BZZOAKBMSA-N 0 0 504.634 3.079 50 0 KGAARN 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JUBQQDAQQGQADY-DEOSSOPVSA-N 0 0 557.047 3.329 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000101154001 554658253 /nfs/dbraw/zinc/65/82/53/554658253.db2.gz NBXCQCYOLGSMOH-KBMIEXCESA-N 0 0 536.629 3.064 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccccc3)[C@H](C)C2)N(C)C(=O)N[C@H]1c1cccc(OC)c1OC ZINC000101154002 554658246 /nfs/dbraw/zinc/65/82/46/554658246.db2.gz NBXCQCYOLGSMOH-CLOONOSVSA-N 0 0 536.629 3.064 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000101154162 554658280 /nfs/dbraw/zinc/65/82/80/554658280.db2.gz VXFHAVCGLHKEBT-AREMUKBSSA-N 0 0 534.613 3.085 50 0 KGAARN CCOC(=O)C1=C(CN2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000101154164 554658260 /nfs/dbraw/zinc/65/82/60/554658260.db2.gz VXFHAVCGLHKEBT-SANMLTNESA-N 0 0 534.613 3.085 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000101154169 554658295 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/nfs/dbraw/zinc/65/82/55/554658255.db2.gz DDSBDTVVKSKPJW-AREMUKBSSA-N 0 0 542.677 3.332 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000101154316 554658220 /nfs/dbraw/zinc/65/82/20/554658220.db2.gz MGKGPFGCKNAAAK-SANMLTNESA-N 0 0 536.629 3.065 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(C(=O)c3cccc(OC)c3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000101154317 554658297 /nfs/dbraw/zinc/65/82/97/554658297.db2.gz MGKGPFGCKNAAAK-AREMUKBSSA-N 0 0 536.629 3.065 50 0 KGAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccc(OC)c1 ZINC000101154354 554658278 /nfs/dbraw/zinc/65/82/78/554658278.db2.gz SRSGAINZJWXZPA-UHFFFAOYSA-N 0 0 560.651 3.394 50 0 KGAARN CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)C(N)=O ZINC000101160739 554659557 /nfs/dbraw/zinc/65/95/57/554659557.db2.gz IKFRHSVOZGBHIG-VAFVZNMKSA-N 0 0 529.682 3.151 50 0 KGAARN COc1ccccc1-n1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nnc1SCC(=O)Nc1nccs1 ZINC000101181557 554667070 /nfs/dbraw/zinc/66/70/70/554667070.db2.gz LTHCLYDTXVKTFU-UHFFFAOYSA-N 0 0 570.653 3.419 50 0 KGAARN COc1ccc(OC)c(-n2c(CNC(=O)c3ccccc3OC)nnc2SCC(=O)Nc2nccs2)c1 ZINC000101181657 554667274 /nfs/dbraw/zinc/66/72/74/554667274.db2.gz VWHQLAYTWSUEPC-UHFFFAOYSA-N 0 0 540.627 3.410 50 0 KGAARN COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2cc(OC)ccc2OC)c1 ZINC000101181727 554667295 /nfs/dbraw/zinc/66/72/95/554667295.db2.gz XNVWDIWQUQLZPM-UHFFFAOYSA-N 0 0 540.627 3.410 50 0 KGAARN COc1ccc(S(=O)(=O)N(c2c(C)cnn2-c2ccccn2)S(=O)(=O)c2ccc(OC)c(F)c2)cc1F ZINC000101183338 554668719 /nfs/dbraw/zinc/66/87/19/554668719.db2.gz CDCVDOFSFBPXSI-UHFFFAOYSA-N 0 0 550.565 3.455 50 0 KGAARN CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=CN2[C@@H]3C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000101184145 554668630 /nfs/dbraw/zinc/66/86/30/554668630.db2.gz UOCJTMWUBLXYND-XUJYPJAKSA-N 0 0 537.528 3.495 50 0 KGAARN CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc5c(c4)OCO5)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101184147 554668654 /nfs/dbraw/zinc/66/86/54/554668654.db2.gz UOCJTMWUBLXYND-YAOOYPAMSA-N 0 0 537.528 3.495 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)c3ccccc3c2=O)cc1Cl ZINC000101187631 554669659 /nfs/dbraw/zinc/66/96/59/554669659.db2.gz OFJWVWCWHRJIGF-UHFFFAOYSA-N 0 0 532.000 3.126 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1Cl ZINC000101187660 554669636 /nfs/dbraw/zinc/66/96/36/554669636.db2.gz ISLCROZEYIVSIJ-UHFFFAOYSA-N 0 0 562.026 3.135 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)c(OC)c1 ZINC000101187899 554669771 /nfs/dbraw/zinc/66/97/71/554669771.db2.gz VYQJAZIHOJANIH-UHFFFAOYSA-N 0 0 552.971 3.442 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)cc1Cl ZINC000101188011 554669838 /nfs/dbraw/zinc/66/98/38/554669838.db2.gz FWWIJEZEROOLSJ-UHFFFAOYSA-N 0 0 549.990 3.265 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3c2=O)cc1Cl ZINC000101188411 554669814 /nfs/dbraw/zinc/66/98/14/554669814.db2.gz VKYXFMSOZCQNPB-UHFFFAOYSA-N 0 0 546.027 3.122 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc3c2=O)cc1OC ZINC000101188487 554669765 /nfs/dbraw/zinc/66/97/65/554669765.db2.gz BOZDNKWCVRDAJV-UHFFFAOYSA-N 0 0 552.971 3.442 50 0 KGAARN COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3c2=O)cc1OC ZINC000101188532 554669778 /nfs/dbraw/zinc/66/97/78/554669778.db2.gz LAZQJLAOWNVLRV-UHFFFAOYSA-N 0 0 562.026 3.135 50 0 KGAARN COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccc(OC)c(OC)c4)c(=O)c4ccccc43)sc2c1 ZINC000101189011 554670058 /nfs/dbraw/zinc/67/00/58/554670058.db2.gz QYHJVGPUAPKWKS-UHFFFAOYSA-N 0 0 545.577 3.390 50 0 KGAARN COc1cc(OC)c(NC(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)cc1Cl ZINC000101190924 554670543 /nfs/dbraw/zinc/67/05/43/554670543.db2.gz MCQOSPZHJGVTBJ-UHFFFAOYSA-N 0 0 535.022 3.126 50 0 KGAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(OC)c4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000101203037 554673440 /nfs/dbraw/zinc/67/34/40/554673440.db2.gz RWPVWQMZQQNKOO-KBBGZRRDSA-N 0 0 545.636 3.442 50 0 biogenic KGAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(OC)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000101203040 554673428 /nfs/dbraw/zinc/67/34/28/554673428.db2.gz RWPVWQMZQQNKOO-YQXAMQIPSA-N 0 0 545.636 3.442 50 0 biogenic KGAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(OC)cc4)[C@H]4C=C[C@@]3(O4)[C@H]2C(=O)NC2CCCCC2)cc1 ZINC000101203501 554673705 /nfs/dbraw/zinc/67/37/05/554673705.db2.gz UVIZGZCLJQQECW-KBBGZRRDSA-N 0 0 545.636 3.442 50 0 biogenic KGAARN COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(OC)cc4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)NC2CCCCC2)cc1 ZINC000101203505 554673711 /nfs/dbraw/zinc/67/37/11/554673711.db2.gz UVIZGZCLJQQECW-YQXAMQIPSA-N 0 0 545.636 3.442 50 0 biogenic KGAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205905 554675771 /nfs/dbraw/zinc/67/57/71/554675771.db2.gz YNXVEWOOKCOBJO-UETMDFGDSA-N 0 0 560.489 3.414 50 0 biogenic KGAARN CCOCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205906 554675785 /nfs/dbraw/zinc/67/57/85/554675785.db2.gz YNXVEWOOKCOBJO-ZKWJSJOJSA-N 0 0 560.489 3.414 50 0 biogenic KGAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205922 554675795 /nfs/dbraw/zinc/67/57/95/554675795.db2.gz QFVPBKRUBKSLIO-IPPNUHETSA-N 0 0 546.462 3.024 50 0 biogenic KGAARN COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205925 554675811 /nfs/dbraw/zinc/67/58/11/554675811.db2.gz QFVPBKRUBKSLIO-WGMIXOHXSA-N 0 0 546.462 3.024 50 0 biogenic KGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101208039 554677394 /nfs/dbraw/zinc/67/73/94/554677394.db2.gz NNAMYKHIRRRNHR-XUJYPJAKSA-N 0 0 537.528 3.341 50 0 KGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000101208047 554677355 /nfs/dbraw/zinc/67/73/55/554677355.db2.gz NNAMYKHIRRRNHR-YAOOYPAMSA-N 0 0 537.528 3.341 50 0 KGAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4cccc(Br)c4)CC3)n2)CC1 ZINC000101209189 554678271 /nfs/dbraw/zinc/67/82/71/554678271.db2.gz BLKSLUQLTXGECD-UHFFFAOYSA-N 0 0 601.933 3.479 50 0 KGAARN COc1ccc(C(=O)N2CCCN(c3nc(CN4CCN(Cc5ccc(Cl)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000101209490 554678234 /nfs/dbraw/zinc/67/82/34/554678234.db2.gz HVDPWPXHUPVRRW-UHFFFAOYSA-N 0 0 551.091 3.102 50 0 KGAARN COc1ccc(Cl)cc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccccc4C)CC3)n2)CC1 ZINC000101209901 554678533 /nfs/dbraw/zinc/67/85/33/554678533.db2.gz BEDYWQJDKFRMHY-UHFFFAOYSA-N 0 0 537.064 3.025 50 0 KGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000101210651 554679291 /nfs/dbraw/zinc/67/92/91/554679291.db2.gz RIZPNLASTUJFMG-QYOOZWMWSA-N 0 0 523.501 3.298 50 0 KGAARN 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CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnc(CNC(=O)COc3ccccc3)n1C)CCC2 ZINC000101657111 554819716 /nfs/dbraw/zinc/81/97/16/554819716.db2.gz PREXCJFIYPWWTD-HNNXBMFYSA-N 0 0 543.671 3.357 50 0 KGAARN COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1OC ZINC000101658884 554820571 /nfs/dbraw/zinc/82/05/71/554820571.db2.gz ZBHBZUCXOKTPCL-SXGWCWSVSA-N 0 0 521.311 3.148 50 0 KGAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000101660272 554821498 /nfs/dbraw/zinc/82/14/98/554821498.db2.gz IYYMQRBTGDKCMV-JOCHJYFZSA-N 0 0 553.584 3.408 50 0 KGAARN CCOC(=O)COc1c(Br)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000101665347 554822373 /nfs/dbraw/zinc/82/23/73/554822373.db2.gz DNHKAJSGLFRGNJ-ZDLGFXPLSA-N 0 0 546.374 3.239 50 0 KGAARN CCOc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)OC ZINC000101665610 554822380 /nfs/dbraw/zinc/82/23/80/554822380.db2.gz BYKMYCIFHVYSSM-YBEGLDIGSA-N 0 0 522.295 3.339 50 0 KGAARN COc1ccccc1/C=C(\NC(=O)c1cncc(Br)c1)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000101665999 554822377 /nfs/dbraw/zinc/82/23/77/554822377.db2.gz TXCDQYBGYHYDRP-RNPLTCCFSA-N 0 0 549.425 3.431 50 0 biogenic KGAARN COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000101666342 554822622 /nfs/dbraw/zinc/82/26/22/554822622.db2.gz GSGMGHQAIPFSJI-AODXJHJZSA-N 0 0 559.619 3.300 50 0 biogenic KGAARN COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC ZINC000101666418 554822550 /nfs/dbraw/zinc/82/25/50/554822550.db2.gz MCBATGBGELZUBL-MSQYREGSSA-N 0 0 589.645 3.308 50 0 biogenic KGAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)c2)C1 ZINC000101670068 554823602 /nfs/dbraw/zinc/82/36/02/554823602.db2.gz XKQNCNDHMZNAAT-HSZRJFAPSA-N 0 0 535.670 3.437 50 0 KGAARN Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1 ZINC000101670070 554823554 /nfs/dbraw/zinc/82/35/54/554823554.db2.gz 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/nfs/dbraw/zinc/82/86/55/554828655.db2.gz UKVBSKPEHLKMCQ-UHFFFAOYSA-N 0 0 557.676 3.276 50 0 KGAARN CCOc1ccc(CNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCC(C)CC4)cc32)cc1OC ZINC000101683426 554828761 /nfs/dbraw/zinc/82/87/61/554828761.db2.gz BSFHYPBWXWNLAD-UHFFFAOYSA-N 0 0 547.699 3.270 50 0 KGAARN O=C(NCCCN1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000101683565 554828724 /nfs/dbraw/zinc/82/87/24/554828724.db2.gz MHLUHSBVNBZHSQ-UHFFFAOYSA-N 0 0 569.703 3.174 50 0 KGAARN CC(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C ZINC000101683784 554828947 /nfs/dbraw/zinc/82/89/47/554828947.db2.gz OYJSFYMHRSFWJW-HPEVMFQJSA-N 0 0 600.702 3.407 50 0 KGAARN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccs4)cc3C(=O)N3CCOCC3)CC2)cc1 ZINC000101687854 554829965 /nfs/dbraw/zinc/82/99/65/554829965.db2.gz QZSFSYSBAHWSAZ-UHFFFAOYSA-N 0 0 534.638 3.444 50 0 KGAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccs1 ZINC000101688630 554830259 /nfs/dbraw/zinc/83/02/59/554830259.db2.gz FLCKBFFGWPYZGW-UHFFFAOYSA-N 0 0 536.654 3.446 50 0 KGAARN COCC(=O)N(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)Cc1ccc(F)cc1 ZINC000101688676 554830229 /nfs/dbraw/zinc/83/02/29/554830229.db2.gz UAECOJFPLGVKNM-UHFFFAOYSA-N 0 0 548.615 3.410 50 0 KGAARN COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(Cl)ccc2OCc2nc(CO)cs2)cc1 ZINC000101693201 554831097 /nfs/dbraw/zinc/83/10/97/554831097.db2.gz DQRCIOJLHIHPIV-UHFFFAOYSA-N 0 0 568.117 3.400 50 0 KGAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000101744565 554834207 /nfs/dbraw/zinc/83/42/07/554834207.db2.gz MTCQKKOQIXDRTH-UHFFFAOYSA-N 0 0 544.553 3.212 50 0 KGAARN Cc1ccccc1N1CCN(Cc2cc(=O)[nH]c(N3CCN(C(=O)c4ccccc4Br)CC3)n2)CC1 ZINC000101747546 554834561 /nfs/dbraw/zinc/83/45/61/554834561.db2.gz JTBNCFMNIVMEKB-UHFFFAOYSA-N 0 0 551.489 3.125 50 0 KGAARN Cc1ccc(N2CCN(Cc3cc(=O)[nH]c(N4CCN(C(=O)c5ccccc5Br)CC4)n3)CC2)cc1C ZINC000101747894 554834489 /nfs/dbraw/zinc/83/44/89/554834489.db2.gz JERBFXKPGYTNKX-UHFFFAOYSA-N 0 0 565.516 3.434 50 0 KGAARN COc1cccc(OC[C@H](O)CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1 ZINC000101795200 554839316 /nfs/dbraw/zinc/83/93/16/554839316.db2.gz BWPRMVOXDAPRFV-FYYLOGMGSA-N 0 0 561.610 3.403 50 0 KGAARN COc1cccc(OC[C@@H](O)CNC(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1 ZINC000101795204 554839225 /nfs/dbraw/zinc/83/92/25/554839225.db2.gz BWPRMVOXDAPRFV-GGAORHGYSA-N 0 0 561.610 3.403 50 0 KGAARN COc1cccc(OC[C@H](O)CNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1 ZINC000101795207 554839290 /nfs/dbraw/zinc/83/92/90/554839290.db2.gz BWPRMVOXDAPRFV-JTHBVZDNSA-N 0 0 561.610 3.403 50 0 KGAARN COc1cccc(OC[C@@H](O)CNC(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3cccc(F)c3)C4=O)C2)c1 ZINC000101795210 554839264 /nfs/dbraw/zinc/83/92/64/554839264.db2.gz BWPRMVOXDAPRFV-GMAHTHKFSA-N 0 0 561.610 3.403 50 0 KGAARN COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(C/C=C/c3ccccc3OC)C2)nn1 ZINC000101817092 554840204 /nfs/dbraw/zinc/84/02/04/554840204.db2.gz OXKCYVPOQCMTHB-MEQDFTDESA-N 0 0 528.613 3.242 50 0 KGAARN CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCC(C(N)=O)CC1 ZINC000101824588 554841219 /nfs/dbraw/zinc/84/12/19/554841219.db2.gz YNNMKAWWXWLWSX-OAHLLOKOSA-N 0 0 537.480 3.480 50 0 KGAARN CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCC(C(N)=O)CC1 ZINC000101824591 554841258 /nfs/dbraw/zinc/84/12/58/554841258.db2.gz YNNMKAWWXWLWSX-HNNXBMFYSA-N 0 0 537.480 3.480 50 0 KGAARN O=C(Nc1ccccc1Br)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 ZINC000101861564 554844449 /nfs/dbraw/zinc/84/44/49/554844449.db2.gz COIIJQVBABILJT-JOCHJYFZSA-N 0 0 564.483 3.152 50 0 KGAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c(N3CCN(c4ccccn4)CC3)cc1O2 ZINC000101901376 554847415 /nfs/dbraw/zinc/84/74/15/554847415.db2.gz MLWYHXIYFABGKL-UHFFFAOYSA-N 0 0 535.626 3.096 50 0 KGAARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N21 ZINC000101903104 554847798 /nfs/dbraw/zinc/84/77/98/554847798.db2.gz YFASNZYBLNTIHZ-DEOSSOPVSA-N 0 0 512.632 3.303 50 0 KGAARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N21 ZINC000101903109 554847812 /nfs/dbraw/zinc/84/78/12/554847812.db2.gz YFASNZYBLNTIHZ-XMMPIXPASA-N 0 0 512.632 3.303 50 0 KGAARN COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)c1 ZINC000101906229 554848816 /nfs/dbraw/zinc/84/88/16/554848816.db2.gz YVCAEYDVFZCOMY-HHHXNRCGSA-N 0 0 554.647 3.212 50 0 KGAARN COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C2)c1 ZINC000101906232 554848751 /nfs/dbraw/zinc/84/87/51/554848751.db2.gz YVCAEYDVFZCOMY-MHZLTWQESA-N 0 0 554.647 3.212 50 0 KGAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000101907535 554849067 /nfs/dbraw/zinc/84/90/67/554849067.db2.gz CTLNVVVUQGLWCK-QHCPKHFHSA-N 0 0 533.050 3.185 50 0 KGAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101907537 554849052 /nfs/dbraw/zinc/84/90/52/554849052.db2.gz CTLNVVVUQGLWCK-HSZRJFAPSA-N 0 0 533.050 3.185 50 0 KGAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1cc(C)ccc1C ZINC000101908089 554849057 /nfs/dbraw/zinc/84/90/57/554849057.db2.gz KQNVPLNVKCDAFW-RUZDIDTESA-N 0 0 526.659 3.149 50 0 KGAARN COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1cc(C)ccc1C ZINC000101908095 554849020 /nfs/dbraw/zinc/84/90/20/554849020.db2.gz KQNVPLNVKCDAFW-VWLOTQADSA-N 0 0 526.659 3.149 50 0 KGAARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1 ZINC000101908786 554849232 /nfs/dbraw/zinc/84/92/32/554849232.db2.gz BUUMJVZAKRZADW-DEOSSOPVSA-N 0 0 512.632 3.303 50 0 KGAARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)N4CCN(C(C)=O)CC4)N32)cc1 ZINC000101908789 554849176 /nfs/dbraw/zinc/84/91/76/554849176.db2.gz BUUMJVZAKRZADW-XMMPIXPASA-N 0 0 512.632 3.303 50 0 KGAARN COc1cc2c(cc1OC)n(CC(=O)NC(C)C)c(=O)n(Cc1ccc(C(=O)Nc3ccccc3)cc1)c2=O ZINC000101910497 554849713 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NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)OCc3ccccc3)nc3ccsc3c2=O)cc1 ZINC000102751442 555044475 /nfs/dbraw/zinc/04/44/75/555044475.db2.gz VANZFAZQWUTYAZ-UHFFFAOYSA-N 0 0 600.744 3.080 50 0 KGAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC ZINC000102752051 555044726 /nfs/dbraw/zinc/04/47/26/555044726.db2.gz YAJRGIRGJHXNEP-PKTZIBPZSA-N 0 0 535.670 3.059 50 0 KGAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC ZINC000102752053 555044899 /nfs/dbraw/zinc/04/48/99/555044899.db2.gz YAJRGIRGJHXNEP-DHIUTWEWSA-N 0 0 535.670 3.059 50 0 KGAARN CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC ZINC000102752055 555044670 /nfs/dbraw/zinc/04/46/70/555044670.db2.gz YAJRGIRGJHXNEP-GOTSBHOMSA-N 0 0 535.670 3.059 50 0 KGAARN CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCCc3ccccc3)C(=O)N21)C(=O)NCCCOC ZINC000102752058 555044752 /nfs/dbraw/zinc/04/47/52/555044752.db2.gz YAJRGIRGJHXNEP-XZOQPEGZSA-N 0 0 535.670 3.059 50 0 KGAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC3)c2)CC1 ZINC000102752766 555045143 /nfs/dbraw/zinc/04/51/43/555045143.db2.gz NVEKAAHNIKRZGM-UHFFFAOYSA-N 0 0 541.501 3.291 50 0 KGAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(Cl)cc(Cl)c4)CC3)c2)CC1 ZINC000102752812 555045165 /nfs/dbraw/zinc/04/51/65/555045165.db2.gz MPJBPVULLGVXCZ-UHFFFAOYSA-N 0 0 541.501 3.291 50 0 KGAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(F)cc4C(F)(F)F)CC3)c2)CC1 ZINC000102752862 555045065 /nfs/dbraw/zinc/04/50/65/555045065.db2.gz JCXCHQPHONSLRP-UHFFFAOYSA-N 0 0 558.598 3.142 50 0 KGAARN COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1OC ZINC000102753081 555045521 /nfs/dbraw/zinc/04/55/21/555045521.db2.gz NMQXBLLYVNJBPH-UHFFFAOYSA-N 0 0 538.670 3.267 50 0 KGAARN CCN1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(F)cc(C(F)(F)F)c4)CC3)c2)CC1 ZINC000102753152 555045441 /nfs/dbraw/zinc/04/54/41/555045441.db2.gz NNMXWNSQKNTJCL-UHFFFAOYSA-N 0 0 558.598 3.142 50 0 KGAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O)N1CCOCC1 ZINC000102753696 555045609 /nfs/dbraw/zinc/04/56/09/555045609.db2.gz VNDSLRVLVAKIOZ-UHFFFAOYSA-N 0 0 531.440 3.133 50 0 KGAARN CC[C@H](Sc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)NCCCOC ZINC000102754661 555046721 /nfs/dbraw/zinc/04/67/21/555046721.db2.gz UWWVDXIFDLLPAB-VWLOTQADSA-N 0 0 570.712 3.186 50 0 KGAARN CC[C@@H](Sc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1)C(=O)NCCCOC ZINC000102754664 555046798 /nfs/dbraw/zinc/04/67/98/555046798.db2.gz UWWVDXIFDLLPAB-RUZDIDTESA-N 0 0 570.712 3.186 50 0 KGAARN Cc1cc(NC(=O)CSc2nc3cc(C(=O)NCCCOC(C)C)ccc3c(=O)n2Cc2ccco2)n[nH]1 ZINC000102754709 555046685 /nfs/dbraw/zinc/04/66/85/555046685.db2.gz LVUCCVKMDSYYGV-UHFFFAOYSA-N 0 0 538.630 3.345 50 0 KGAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755403 555047460 /nfs/dbraw/zinc/04/74/60/555047460.db2.gz JYEGHNCNBVGLLL-UHFFFAOYSA-N 0 0 566.636 3.101 50 0 KGAARN O=C(CCn1c(=O)c2cc3c(cc2nc1SCC(=O)NCCc1ccccc1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755416 555047458 /nfs/dbraw/zinc/04/74/58/555047458.db2.gz WXGFUNINYUBSHW-UHFFFAOYSA-N 0 0 588.642 3.011 50 0 KGAARN COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)c(OC)c1 ZINC000102755426 555047403 /nfs/dbraw/zinc/04/74/03/555047403.db2.gz IMNNEJPBTRIHBG-UHFFFAOYSA-N 0 0 620.640 3.308 50 0 KGAARN CN(C)c1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCC(=O)NCc2ccc3c(c2)OCO3)OCO4)cc1 ZINC000102755428 555047414 /nfs/dbraw/zinc/04/74/14/555047414.db2.gz KRBYMBLFUMQACK-UHFFFAOYSA-N 0 0 603.657 3.357 50 0 KGAARN COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCc2cc(=O)n3ccccc3n2)OCO4)cc1OC ZINC000102755438 555047408 /nfs/dbraw/zinc/04/74/08/555047408.db2.gz QXVWQHXHABCDAH-UHFFFAOYSA-N 0 0 615.668 3.192 50 0 KGAARN COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCC(=O)NC2CCCCC2)OCO4)cc1OC ZINC000102755445 555047393 /nfs/dbraw/zinc/04/73/93/555047393.db2.gz RLOINTVDRDVRBL-UHFFFAOYSA-N 0 0 596.706 3.432 50 0 KGAARN COc1ccc(CCNC(=O)CCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCc2ccccc2)OCO4)cc1OC ZINC000102755451 555047444 /nfs/dbraw/zinc/04/74/44/555047444.db2.gz IKXDGKVFELGONO-UHFFFAOYSA-N 0 0 604.685 3.300 50 0 KGAARN O=C(CSc1nc2cc3c(cc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)OCO3)NCCc1ccccc1 ZINC000102755483 555047537 /nfs/dbraw/zinc/04/75/37/555047537.db2.gz VQXWASDSLMWALC-UHFFFAOYSA-N 0 0 599.713 3.315 50 0 KGAARN COc1ccc(CNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCc2ccco2)OCO4)cc1 ZINC000102755541 555047598 /nfs/dbraw/zinc/04/75/98/555047598.db2.gz CRMRCSVQYYKBMC-UHFFFAOYSA-N 0 0 564.620 3.232 50 0 KGAARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755598 555047543 /nfs/dbraw/zinc/04/75/43/555047543.db2.gz DYCWEGGQAPOYDP-UHFFFAOYSA-N 0 0 580.663 3.492 50 0 KGAARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755612 193914705 /nfs/dbraw/zinc/91/47/05/193914705.db2.gz QAADSZIKTNGFQD-UHFFFAOYSA-N 0 0 588.642 3.359 50 0 KGAARN O=C(CCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NCCc1ccccc1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755615 193914820 /nfs/dbraw/zinc/91/48/20/193914820.db2.gz PQCGYPBLHMUQBH-UHFFFAOYSA-N 0 0 602.669 3.402 50 0 KGAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)Nc2cc(C)[nH]n2)OCO4)cc1OC ZINC000102755665 555047814 /nfs/dbraw/zinc/04/78/14/555047814.db2.gz SBPXCGCJWOLSNQ-UHFFFAOYSA-N 0 0 608.677 3.044 50 0 KGAARN COc1ccc(CCNC(=O)CCCn2c(=O)c3cc4c(cc3nc2SCC(=O)NCc2ccco2)OCO4)cc1OC ZINC000102755673 555047873 /nfs/dbraw/zinc/04/78/73/555047873.db2.gz RTUDHLYIECCLDT-UHFFFAOYSA-N 0 0 608.673 3.283 50 0 KGAARN Cc1cc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2CCCCCC(=O)NCc2ccc3c(c2)OCO3)OCO4)n[nH]1 ZINC000102755797 555048217 /nfs/dbraw/zinc/04/82/17/555048217.db2.gz UICQLNXUWABJST-UHFFFAOYSA-N 0 0 606.661 3.493 50 0 KGAARN O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755808 555048246 /nfs/dbraw/zinc/04/82/46/555048246.db2.gz CFLSXPLEWGFXJJ-FQEVSTJZSA-N 0 0 610.689 3.118 50 0 KGAARN O=C(CCCCCn1c(=O)c2cc3c(cc2nc1SCC(=O)NC[C@H]1CCCO1)OCO3)NCc1ccc2c(c1)OCO2 ZINC000102755809 193915274 /nfs/dbraw/zinc/91/52/74/193915274.db2.gz CFLSXPLEWGFXJJ-HXUWFJFHSA-N 0 0 610.689 3.118 50 0 KGAARN COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCc2ccc4c(c2)OCO4)cc1)OCO3 ZINC000102755880 555048276 /nfs/dbraw/zinc/04/82/76/555048276.db2.gz PJFLXQZZANIAIB-UHFFFAOYSA-N 0 0 618.668 3.077 50 0 KGAARN COCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3 ZINC000102755926 555048572 /nfs/dbraw/zinc/04/85/72/555048572.db2.gz GJRAYMLLUOGDTJ-UHFFFAOYSA-N 0 0 629.739 3.381 50 0 KGAARN CCN(CC)C(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccc(OC)c(OC)c1 ZINC000102756343 193915923 /nfs/dbraw/zinc/91/59/23/193915923.db2.gz SDHGWZVULPAJNO-UHFFFAOYSA-N 0 0 540.686 3.454 50 0 KGAARN COc1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)NCc2ccco2)cc1OC ZINC000102756347 555049059 /nfs/dbraw/zinc/04/90/59/555049059.db2.gz PSENSQHGPLLHTF-UHFFFAOYSA-N 0 0 564.664 3.495 50 0 KGAARN COc1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3nc2SCC(=O)Nc2cc(C)[nH]n2)cc1OC ZINC000102756355 193916308 /nfs/dbraw/zinc/91/63/08/193916308.db2.gz OGITUGPUNDTQQT-UHFFFAOYSA-N 0 0 564.668 3.255 50 0 KGAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)NCc1ccco1 ZINC000102756437 555049246 /nfs/dbraw/zinc/04/92/46/555049246.db2.gz FEGMWECYKZJGGT-QFIPXVFZSA-N 0 0 532.622 3.355 50 0 KGAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1)NCc1ccco1 ZINC000102756440 555049299 /nfs/dbraw/zinc/04/92/99/555049299.db2.gz FEGMWECYKZJGGT-JOCHJYFZSA-N 0 0 532.622 3.355 50 0 KGAARN CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCCCN4CC[NH+](C)CC4)cc3)c(=O)c2cc1OCC ZINC000102756648 555049428 /nfs/dbraw/zinc/04/94/28/555049428.db2.gz JJECIRUBTSMJHO-UHFFFAOYSA-N 0 0 539.702 3.272 50 0 KGAARN CCOC(=O)CSc1nc2ccccc2c(=O)n1CCn1c(SCC(=O)OCC)nc2ccccc2c1=O ZINC000102756663 555049705 /nfs/dbraw/zinc/04/97/05/555049705.db2.gz NWFXAVIOSNMJEB-UHFFFAOYSA-N 0 0 554.650 3.117 50 0 KGAARN O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NCc3ccccc3)CC2)C1=O)NCc1ccc2c(c1)OCO2 ZINC000102759211 555050939 /nfs/dbraw/zinc/05/09/39/555050939.db2.gz NVDCLZWVGNZHTO-UHFFFAOYSA-N 0 0 555.635 3.082 50 0 KGAARN COCCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)COC ZINC000102759276 555051224 /nfs/dbraw/zinc/05/12/24/555051224.db2.gz QUBRPGKNVPLSAF-UHFFFAOYSA-N 0 0 551.566 3.119 50 0 KGAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2Cl)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1 ZINC000102763192 555053764 /nfs/dbraw/zinc/05/37/64/555053764.db2.gz MSXWHICORNJAEY-QFIPXVFZSA-N 0 0 505.040 3.317 50 0 KGAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2Cl)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1 ZINC000102763194 555053794 /nfs/dbraw/zinc/05/37/94/555053794.db2.gz MSXWHICORNJAEY-JOCHJYFZSA-N 0 0 505.040 3.317 50 0 KGAARN CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1 ZINC000102763290 555053768 /nfs/dbraw/zinc/05/37/68/555053768.db2.gz UAYGEFDTASJSRY-QFIPXVFZSA-N 0 0 505.040 3.317 50 0 KGAARN CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1 ZINC000102763291 555053751 /nfs/dbraw/zinc/05/37/51/555053751.db2.gz UAYGEFDTASJSRY-JOCHJYFZSA-N 0 0 505.040 3.317 50 0 KGAARN CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1 ZINC000102763844 555054097 /nfs/dbraw/zinc/05/40/97/555054097.db2.gz RTYPBIXCIMUJGA-QHCPKHFHSA-N 0 0 502.612 3.192 50 0 KGAARN CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1 ZINC000102763847 555054144 /nfs/dbraw/zinc/05/41/44/555054144.db2.gz RTYPBIXCIMUJGA-HSZRJFAPSA-N 0 0 502.612 3.192 50 0 KGAARN CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1 ZINC000102763870 555054155 /nfs/dbraw/zinc/05/41/55/555054155.db2.gz XIASQPDLZALCNT-QHCPKHFHSA-N 0 0 502.612 3.192 50 0 KGAARN CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)N2C(CC(=O)NCCCN3CCOCC3)=CSC2=N1 ZINC000102763875 555054184 /nfs/dbraw/zinc/05/41/84/555054184.db2.gz XIASQPDLZALCNT-HSZRJFAPSA-N 0 0 502.612 3.192 50 0 KGAARN COc1ccc(/C=C2\Oc3ccccc3N(CC(=O)NCCCN3CCOCC3)C2=O)cc1Br ZINC000102768479 555056192 /nfs/dbraw/zinc/05/61/92/555056192.db2.gz WMDXSNPDYSLZIU-KQWNVCNZSA-N 0 0 530.419 3.063 50 0 KGAARN COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000102769788 555057159 /nfs/dbraw/zinc/05/71/59/555057159.db2.gz MTIIPVNHUYELBV-KNQAVFIVSA-N 0 0 554.603 3.207 50 0 KGAARN FC(F)(F)c1cc(-n2ccc([C@@H]3CCCN(c4cc(C(F)(F)F)nc5ncnn54)C3)n2)n2ncnc2n1 ZINC000102770220 555057672 /nfs/dbraw/zinc/05/76/72/555057672.db2.gz POGUWZZCCVGYNT-LLVKDONJSA-N 0 0 523.405 3.169 50 0 KGAARN FC(F)(F)c1cc(-n2ccc([C@H]3CCCN(c4cc(C(F)(F)F)nc5ncnn54)C3)n2)n2ncnc2n1 ZINC000102770224 555057674 /nfs/dbraw/zinc/05/76/74/555057674.db2.gz POGUWZZCCVGYNT-NSHDSACASA-N 0 0 523.405 3.169 50 0 KGAARN O=C(NCCCN1CCOCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1 ZINC000102770414 555057951 /nfs/dbraw/zinc/05/79/51/555057951.db2.gz NWRQIMAZJCZCOK-BVAGGSTKSA-N 0 0 623.710 3.283 50 0 KGAARN 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3.493 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(Cc5ccccc5)CC4)C3)cc21 ZINC000102792985 555070107 /nfs/dbraw/zinc/07/01/07/555070107.db2.gz KFPSBCMDHANJGG-HSZRJFAPSA-N 0 0 603.583 3.493 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccccc5)CC4)C3)cc21 ZINC000102793009 555070104 /nfs/dbraw/zinc/07/01/04/555070104.db2.gz PGGPOULMSYJDTO-NRFANRHFSA-N 0 0 589.556 3.498 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccccc5)CC4)C3)cc21 ZINC000102793010 555070035 /nfs/dbraw/zinc/07/00/35/555070035.db2.gz PGGPOULMSYJDTO-OAQYLSRUSA-N 0 0 589.556 3.498 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NC[C@@H]4COc5ccccc5O4)C3)cc21 ZINC000102793046 555070331 /nfs/dbraw/zinc/07/03/31/555070331.db2.gz GKQJGFXRFPNZTQ-RBUKOAKNSA-N 0 0 592.512 3.105 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NC[C@@H]4COc5ccccc5O4)C3)cc21 ZINC000102793048 555070321 /nfs/dbraw/zinc/07/03/21/555070321.db2.gz GKQJGFXRFPNZTQ-RTBURBONSA-N 0 0 592.512 3.105 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(OC)cc4)C3)cc21 ZINC000102793069 555070349 /nfs/dbraw/zinc/07/03/49/555070349.db2.gz OCCDJVJLKLSAHX-IBGZPJMESA-N 0 0 564.502 3.474 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(OC)cc4)C3)cc21 ZINC000102793072 555070319 /nfs/dbraw/zinc/07/03/19/555070319.db2.gz OCCDJVJLKLSAHX-LJQANCHMSA-N 0 0 564.502 3.474 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc(C)o4)C3)cc21 ZINC000102793076 555070367 /nfs/dbraw/zinc/07/03/67/555070367.db2.gz VCPCXPCBWVZSLV-KRWDZBQOSA-N 0 0 538.464 3.367 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc(C)o4)C3)cc21 ZINC000102793078 555070323 /nfs/dbraw/zinc/07/03/23/555070323.db2.gz VCPCXPCBWVZSLV-QGZVFWFLSA-N 0 0 538.464 3.367 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccc5c(c4)OCO5)C3)cc21 ZINC000102793081 555070369 /nfs/dbraw/zinc/07/03/69/555070369.db2.gz FSYGSVCEZZQUJL-SFHVURJKSA-N 0 0 578.485 3.194 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)cc21 ZINC000102793083 555070335 /nfs/dbraw/zinc/07/03/35/555070335.db2.gz FSYGSVCEZZQUJL-GOSISDBHSA-N 0 0 578.485 3.194 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4cccc(OC)c4)C3)cc21 ZINC000102793086 555070333 /nfs/dbraw/zinc/07/03/33/555070333.db2.gz UKTZEKJOOTZORF-IBGZPJMESA-N 0 0 564.502 3.474 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4cccc(OC)c4)C3)cc21 ZINC000102793088 555070316 /nfs/dbraw/zinc/07/03/16/555070316.db2.gz UKTZEKJOOTZORF-LJQANCHMSA-N 0 0 564.502 3.474 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4)C3)cc21 ZINC000102793090 555070318 /nfs/dbraw/zinc/07/03/18/555070318.db2.gz AZVTXCQNRONXKB-IBGZPJMESA-N 0 0 534.476 3.465 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4)C3)cc21 ZINC000102793091 555070328 /nfs/dbraw/zinc/07/03/28/555070328.db2.gz AZVTXCQNRONXKB-LJQANCHMSA-N 0 0 534.476 3.465 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@H](C(=O)NCc4ccccc4OC)C3)cc21 ZINC000102793095 555070344 /nfs/dbraw/zinc/07/03/44/555070344.db2.gz WYSKZQJLPLHWCG-IBGZPJMESA-N 0 0 564.502 3.474 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccccc4OC)C3)cc21 ZINC000102793096 555070310 /nfs/dbraw/zinc/07/03/10/555070310.db2.gz WYSKZQJLPLHWCG-LJQANCHMSA-N 0 0 564.502 3.474 50 0 KGAARN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)cc21 ZINC000102793308 555070929 /nfs/dbraw/zinc/07/09/29/555070929.db2.gz MVHHHWMLUFYBFY-UHFFFAOYSA-N 0 0 553.498 3.378 50 0 KGAARN Cc1ccc2nc(CN(Cc3cc(=O)n4cc(C)ccc4n3)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)n2c1 ZINC000102793909 555070961 /nfs/dbraw/zinc/07/09/61/555070961.db2.gz PXMTWQSTOBICAE-NRFANRHFSA-N 0 0 543.649 3.486 50 0 KGAARN Cc1ccc2nc(CN(Cc3cc(=O)n4cc(C)ccc4n3)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)n2c1 ZINC000102793911 555070993 /nfs/dbraw/zinc/07/09/93/555070993.db2.gz PXMTWQSTOBICAE-OAQYLSRUSA-N 0 0 543.649 3.486 50 0 KGAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)c1 ZINC000102797644 555071936 /nfs/dbraw/zinc/07/19/36/555071936.db2.gz NMOZRLQWNSZKTH-QFIPXVFZSA-N 0 0 537.082 3.413 50 0 KGAARN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)c1 ZINC000102797646 555071819 /nfs/dbraw/zinc/07/18/19/555071819.db2.gz NMOZRLQWNSZKTH-JOCHJYFZSA-N 0 0 537.082 3.413 50 0 KGAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102798207 555071845 /nfs/dbraw/zinc/07/18/45/555071845.db2.gz VMLRLJQSAJQPQA-RUZDIDTESA-N 0 0 597.093 3.374 50 0 KGAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000102798209 555071962 /nfs/dbraw/zinc/07/19/62/555071962.db2.gz VMLRLJQSAJQPQA-VWLOTQADSA-N 0 0 597.093 3.374 50 0 KGAARN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000102799148 555072396 /nfs/dbraw/zinc/07/23/96/555072396.db2.gz ULLJKSYERCYMRX-UHFFFAOYSA-N 0 0 530.549 3.360 50 0 KGAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2cccc(C)c2)N3)cc1OC ZINC000102801256 555072386 /nfs/dbraw/zinc/07/23/86/555072386.db2.gz SXWSCJGVHNFKGV-XMMPIXPASA-N 0 0 537.638 3.332 50 0 KGAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2cccc(C)c2)N3)cc1OC ZINC000102801258 555072336 /nfs/dbraw/zinc/07/23/36/555072336.db2.gz SXWSCJGVHNFKGV-DEOSSOPVSA-N 0 0 537.638 3.332 50 0 KGAARN O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(c2ccccn2)CC1 ZINC000102801816 555072712 /nfs/dbraw/zinc/07/27/12/555072712.db2.gz SCSYKAMWPNGKHA-QHCPKHFHSA-N 0 0 540.045 3.045 50 0 KGAARN O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1cccc(Cl)c1)N2)N1CCN(c2ccccn2)CC1 ZINC000102801818 555072692 /nfs/dbraw/zinc/07/26/92/555072692.db2.gz SCSYKAMWPNGKHA-HSZRJFAPSA-N 0 0 540.045 3.045 50 0 KGAARN COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C/C=C\c2ccccc2)n1 ZINC000102802794 1059656141 /nfs/dbraw/zinc/65/61/41/1059656141.db2.gz GZFPTHNXPJSAJT-YFHOEESVSA-N 0 0 530.972 3.440 50 0 KGAARN COC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)n1 ZINC000102802800 555072685 /nfs/dbraw/zinc/07/26/85/555072685.db2.gz YSMURNYXWWZUSX-UHFFFAOYSA-N 0 0 532.988 3.359 50 0 KGAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CS(=O)(=O)Cc2ccccc2C)N3)cc1OC ZINC000102805073 555073043 /nfs/dbraw/zinc/07/30/43/555073043.db2.gz IYZDHIUSMZRDBZ-XMMPIXPASA-N 0 0 537.638 3.332 50 0 biogenic KGAARN COc1ccc(CCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2C)N3)cc1OC ZINC000102805075 555073068 /nfs/dbraw/zinc/07/30/68/555073068.db2.gz IYZDHIUSMZRDBZ-DEOSSOPVSA-N 0 0 537.638 3.332 50 0 biogenic KGAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1csc(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000102805776 555073360 /nfs/dbraw/zinc/07/33/60/555073360.db2.gz LDILMGSMHNQBFE-UHFFFAOYSA-N 0 0 552.678 3.410 50 0 KGAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)OCC(=O)c1ccccc1 ZINC000102805813 555073354 /nfs/dbraw/zinc/07/33/54/555073354.db2.gz FLGUSIZTJGBZSZ-WTVVBQEXSA-N 0 0 624.735 3.035 50 0 biogenic KGAARN CCOC(=O)C1=C(COC(=O)CSc2nnc(-c3cccs3)n2CC)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000102818493 555076342 /nfs/dbraw/zinc/07/63/42/555076342.db2.gz MAVJQXMCDDIURA-IBGZPJMESA-N 0 0 531.616 3.435 50 0 KGAARN CCOC(=O)C1=C(COC(=O)CSc2nnc(-c3cccs3)n2CC)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000102818495 555076411 /nfs/dbraw/zinc/07/64/11/555076411.db2.gz MAVJQXMCDDIURA-LJQANCHMSA-N 0 0 531.616 3.435 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(COc3cccc(Br)c3)n2N)NC(=O)N[C@@H]1c1ccc(C)o1 ZINC000102818498 555076373 /nfs/dbraw/zinc/07/63/73/555076373.db2.gz QHZKWMQTTJGWKP-LJQANCHMSA-N 0 0 563.434 3.198 50 0 KGAARN CCOC(=O)C1=C(CSc2nnc(COc3cccc(Br)c3)n2N)NC(=O)N[C@H]1c1ccc(C)o1 ZINC000102818502 555076382 /nfs/dbraw/zinc/07/63/82/555076382.db2.gz QHZKWMQTTJGWKP-IBGZPJMESA-N 0 0 563.434 3.198 50 0 KGAARN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)CC1 ZINC000102825343 555077495 /nfs/dbraw/zinc/07/74/95/555077495.db2.gz GUDPQZVSWJENAK-UHFFFAOYSA-N 0 0 532.416 3.432 50 0 KGAARN COc1ccccc1N1CCN(Cn2c3ccccc3n(CN3CCN(c4ccccc4OC)CC3)c2=O)CC1 ZINC000102825755 555077498 /nfs/dbraw/zinc/07/74/98/555077498.db2.gz UUAJBKWHTALJKJ-UHFFFAOYSA-N 0 0 542.684 3.380 50 0 KGAARN COc1cccc(COc2coc(CN3CCCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)cc2=O)c1 ZINC000102832363 555079248 /nfs/dbraw/zinc/07/92/48/555079248.db2.gz TYZSRBCXNZWUAN-UHFFFAOYSA-N 0 0 544.626 3.141 50 0 KGAARN COc1ccc(Cc2nc(-c3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCC5)CC4)cc3)no2)cc1OC ZINC000102835030 555079765 /nfs/dbraw/zinc/07/97/65/555079765.db2.gz GLXXEPIYVWBWLF-UHFFFAOYSA-N 0 0 540.642 3.368 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4cccc(C)c4C)CC3)cc21 ZINC000102839836 555081046 /nfs/dbraw/zinc/08/10/46/555081046.db2.gz JTMMXILSEVXRIB-UHFFFAOYSA-N 0 0 548.503 3.488 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)cc21 ZINC000102839839 555080970 /nfs/dbraw/zinc/08/09/70/555080970.db2.gz AYPQKNLEPVPTCG-UHFFFAOYSA-N 0 0 548.503 3.488 50 0 KGAARN CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1 ZINC000102839869 555080969 /nfs/dbraw/zinc/08/09/69/555080969.db2.gz YLKPIVJYULTSPP-UHFFFAOYSA-N 0 0 562.486 3.073 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000102839894 555081012 /nfs/dbraw/zinc/08/10/12/555081012.db2.gz AYYZWDMXZBFCRV-UHFFFAOYSA-N 0 0 538.439 3.010 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000102839901 555081289 /nfs/dbraw/zinc/08/12/89/555081289.db2.gz NWDDWBPZJUGGTJ-UHFFFAOYSA-N 0 0 548.503 3.303 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)cc21 ZINC000102839938 555081259 /nfs/dbraw/zinc/08/12/59/555081259.db2.gz QTMLFRAMXRTSFN-UHFFFAOYSA-N 0 0 538.439 3.010 50 0 KGAARN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)cc21 ZINC000102840028 555081189 /nfs/dbraw/zinc/08/11/89/555081189.db2.gz JHLHGPXOOATQHH-UHFFFAOYSA-N 0 0 565.509 3.378 50 0 KGAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)cc1 ZINC000102840363 555081320 /nfs/dbraw/zinc/08/13/20/555081320.db2.gz GABJUPXSTMFRRB-UHFFFAOYSA-N 0 0 532.460 3.462 50 0 KGAARN Cc1c(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(=O)n(-c2ccccc2)n1C ZINC000102840371 555081196 /nfs/dbraw/zinc/08/11/96/555081196.db2.gz RPYJURVAOKOWCW-UHFFFAOYSA-N 0 0 531.432 3.347 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)cc21 ZINC000102843042 555082876 /nfs/dbraw/zinc/08/28/76/555082876.db2.gz OKVCQCFXWCGPHB-UHFFFAOYSA-N 0 0 534.476 3.118 50 0 KGAARN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccccc4)CC3)cc21 ZINC000102843085 555082933 /nfs/dbraw/zinc/08/29/33/555082933.db2.gz YWTOGAUMEALDRH-UHFFFAOYSA-N 0 0 534.476 3.417 50 0 KGAARN COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)CC2)cc1 ZINC000102843133 555083187 /nfs/dbraw/zinc/08/31/87/555083187.db2.gz DFFXQDBSIUNASM-UHFFFAOYSA-N 0 0 550.475 3.430 50 0 KGAARN 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O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000102843730 555083863 /nfs/dbraw/zinc/08/38/63/555083863.db2.gz IJDHZPWORTVDDW-UHFFFAOYSA-N 0 0 564.477 3.400 50 0 KGAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1ccc2c(c1)OCCO2 ZINC000102843742 555083828 /nfs/dbraw/zinc/08/38/28/555083828.db2.gz BOTCLVXKDOCKMH-UHFFFAOYSA-N 0 0 535.416 3.322 50 0 KGAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)NCCCN1CCN(c2ccccc2F)CC1 ZINC000102843754 555083835 /nfs/dbraw/zinc/08/38/35/555083835.db2.gz FBUXECROBNYMQG-UHFFFAOYSA-N 0 0 621.573 3.380 50 0 KGAARN O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)N1CCN(c2ccccc2)CC1 ZINC000102843761 555083840 /nfs/dbraw/zinc/08/38/40/555083840.db2.gz CHNDVFXCBNRIHT-UHFFFAOYSA-N 0 0 546.487 3.261 50 0 KGAARN CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NCC(c1ccccc1)c1ccccc1)n2C ZINC000102850896 555085797 /nfs/dbraw/zinc/08/57/97/555085797.db2.gz QWNLZNQHPZYPJV-UHFFFAOYSA-N 0 0 548.665 3.248 50 0 KGAARN 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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000103032895 555220412 /nfs/dbraw/zinc/22/04/12/555220412.db2.gz GBJLPVNMWGIESU-CIMCOABOSA-N 0 0 597.709 3.445 50 0 biogenic KGAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000103033391 555221197 /nfs/dbraw/zinc/22/11/97/555221197.db2.gz WPCJMBUDJFILQS-UHFFFAOYSA-N 0 0 559.666 3.184 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000103034176 555221848 /nfs/dbraw/zinc/22/18/48/555221848.db2.gz FXRKHNXSOLFIFI-UHFFFAOYSA-N 0 0 580.084 3.447 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O ZINC000103034256 555221817 /nfs/dbraw/zinc/22/18/17/555221817.db2.gz KNPOZEMPACMZLF-UHFFFAOYSA-N 0 0 535.578 3.077 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000103034266 555221928 /nfs/dbraw/zinc/22/19/28/555221928.db2.gz GMKKZDJLJDRASH-UHFFFAOYSA-N 0 0 549.605 3.386 50 0 KGAARN COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)C2CC2)cc1 ZINC000103035141 555222351 /nfs/dbraw/zinc/22/23/51/555222351.db2.gz SFPZBVQMUDXWHZ-UHFFFAOYSA-N 0 0 551.644 3.425 50 0 KGAARN Cc1ccc(NC(=O)COC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1S(=O)(=O)N(C)C ZINC000103035505 555222563 /nfs/dbraw/zinc/22/25/63/555222563.db2.gz ZVTPSMSZYIRZOL-QHCPKHFHSA-N 0 0 554.625 3.319 50 0 KGAARN Cc1ccc(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1S(=O)(=O)N(C)C ZINC000103035507 555222607 /nfs/dbraw/zinc/22/26/07/555222607.db2.gz ZVTPSMSZYIRZOL-HSZRJFAPSA-N 0 0 554.625 3.319 50 0 KGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1 ZINC000103035674 555222619 /nfs/dbraw/zinc/22/26/19/555222619.db2.gz MQTIWLWVUMTSJL-LJQANCHMSA-N 0 0 544.530 3.185 50 0 KGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3cccc(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)cc3)c2=O)C1 ZINC000103035677 555222573 /nfs/dbraw/zinc/22/25/73/555222573.db2.gz MQTIWLWVUMTSJL-IBGZPJMESA-N 0 0 544.530 3.185 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@H](CC(C)C)C(=O)N3CCc2ccc(OC)c(OC)c2)cc1 ZINC000103035867 555222942 /nfs/dbraw/zinc/22/29/42/555222942.db2.gz YBZCTRGXLZCRND-XMMPIXPASA-N 0 0 545.702 3.282 50 0 KGAARN COc1ccc(S(=O)(=O)N2CCC3(CC2)N[C@@H](CC(C)C)C(=O)N3CCc2ccc(OC)c(OC)c2)cc1 ZINC000103035870 555222949 /nfs/dbraw/zinc/22/29/49/555222949.db2.gz YBZCTRGXLZCRND-DEOSSOPVSA-N 0 0 545.702 3.282 50 0 KGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1 ZINC000103036107 555222951 /nfs/dbraw/zinc/22/29/51/555222951.db2.gz HPGPOCWMZDDJHD-QGZVFWFLSA-N 0 0 548.493 3.016 50 0 KGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)C1 ZINC000103036110 555222953 /nfs/dbraw/zinc/22/29/53/555222953.db2.gz HPGPOCWMZDDJHD-KRWDZBQOSA-N 0 0 548.493 3.016 50 0 KGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(C)c(Cl)c3)c(=O)n(Cc3ccccc3Cl)c2=O)C1 ZINC000103036199 555222882 /nfs/dbraw/zinc/22/28/82/555222882.db2.gz YPTNNAQJCSRLGH-GOSISDBHSA-N 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3.210 50 0 KGAARN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3)cc2)C1 ZINC000103038245 555223873 /nfs/dbraw/zinc/22/38/73/555223873.db2.gz JGIAPZJPAZRJCH-IBGZPJMESA-N 0 0 534.704 3.210 50 0 KGAARN CC(C)CN(C(=O)CN(C)C(=O)CSc1cc(Cl)ccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000103038429 555223933 /nfs/dbraw/zinc/22/39/33/555223933.db2.gz LHFLQAYIPANQCH-UHFFFAOYSA-N 0 0 544.505 3.321 50 0 KGAARN O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000103039755 555224422 /nfs/dbraw/zinc/22/44/22/555224422.db2.gz CBGKKOIVHBFBEK-UHFFFAOYSA-N 0 0 538.651 3.157 50 0 KGAARN CCOC(=O)c1ccc(NC(=O)N2CCN(c3c(-c4ccc(OC)c(OC)c4)cnc4ncnn43)CC2)cc1 ZINC000103040694 555224945 /nfs/dbraw/zinc/22/49/45/555224945.db2.gz PPSDNKJPBLHMOG-UHFFFAOYSA-N 0 0 531.573 3.339 50 0 KGAARN COc1cccc(CNC(=O)C2CCN(C(=O)CCNC(=O)Nc3c(F)c(F)c(F)c(F)c3F)CC2)c1 ZINC000103041137 555225267 /nfs/dbraw/zinc/22/52/67/555225267.db2.gz HAGNVSCAHGXXQA-UHFFFAOYSA-N 0 0 528.478 3.457 50 0 KGAARN COc1cc(OC)cc(C(=O)N2CCN(c3cc(S(=O)(=O)N4CCc5ccccc5C4)ccc3OC)CC2)c1 ZINC000103041421 555225285 /nfs/dbraw/zinc/22/52/85/555225285.db2.gz WEEOIMPSWHKINA-UHFFFAOYSA-N 0 0 551.665 3.422 50 0 KGAARN COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1OC ZINC000103041470 555225472 /nfs/dbraw/zinc/22/54/72/555225472.db2.gz BTDNNUDHGDJNFC-UHFFFAOYSA-N 0 0 559.048 3.372 50 0 KGAARN COc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)ccc1OCC(=O)N1CCOCC1 ZINC000103041901 555225481 /nfs/dbraw/zinc/22/54/81/555225481.db2.gz LHTDLBWAHYJNJX-UHFFFAOYSA-N 0 0 539.610 3.010 50 0 KGAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000103041919 1059663559 /nfs/dbraw/zinc/66/35/59/1059663559.db2.gz MHQJSXQJAYWLKP-QINSGFPZSA-N 0 0 541.651 3.185 50 0 KGAARN COc1ccc(/C=C\C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000103042096 1059663603 /nfs/dbraw/zinc/66/36/03/1059663603.db2.gz CTVRODNWOMVINL-QPEQYQDCSA-N 0 0 537.642 3.353 50 0 KGAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000103042350 1059665437 /nfs/dbraw/zinc/66/54/37/1059665437.db2.gz SZMIEQSMNVCOJY-JAIQZWGSSA-N 0 0 532.571 3.205 50 0 KGAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000103042351 555225963 /nfs/dbraw/zinc/22/59/63/555225963.db2.gz YFDXZYAZDLNLIC-SANMLTNESA-N 0 0 567.687 3.142 50 0 KGAARN COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)NC(C)C)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000103042356 555225909 /nfs/dbraw/zinc/22/59/09/555225909.db2.gz YFDXZYAZDLNLIC-AREMUKBSSA-N 0 0 567.687 3.142 50 0 KGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000103042374 555226204 /nfs/dbraw/zinc/22/62/04/555226204.db2.gz QVNUQVLIUKGSNH-SANMLTNESA-N 0 0 567.687 3.144 50 0 KGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103042377 555226232 /nfs/dbraw/zinc/22/62/32/555226232.db2.gz QVNUQVLIUKGSNH-AREMUKBSSA-N 0 0 567.687 3.144 50 0 KGAARN COc1cc(/C=C2\SC(=O)N(CCNC(=O)C3=NN(c4ccccc4)C(=O)CC3)C2=O)cc(OC)c1OC ZINC000103042392 555226221 /nfs/dbraw/zinc/22/62/21/555226221.db2.gz DMVTZKBBXMTJIS-QNGOZBTKSA-N 0 0 538.582 3.048 50 0 KGAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)C3=NN(c4ccccc4)C(=O)CC3)C2=O)cc(OC)c1OC ZINC000103042395 555226266 /nfs/dbraw/zinc/22/62/66/555226266.db2.gz DMVTZKBBXMTJIS-RCCKNPSSSA-N 0 0 538.582 3.048 50 0 KGAARN COc1cc(/C=C2/SC(=O)N(CCNC(=O)CSc3nnnn3-c3cc(C)ccc3C)C2=O)cc(OC)c1OC ZINC000103042401 555226254 /nfs/dbraw/zinc/22/62/54/555226254.db2.gz WAXAQHDCLGKTSB-FYJGNVAPSA-N 0 0 584.680 3.250 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000103042406 555226225 /nfs/dbraw/zinc/22/62/25/555226225.db2.gz BSAIRZKOWYGSKB-KOEQRZSOSA-N 0 0 595.678 3.198 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000103042409 555226212 /nfs/dbraw/zinc/22/62/12/555226212.db2.gz FWZCJPDUOOYTRT-XIEYBQDHSA-N 0 0 577.688 3.059 50 0 KGAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 ZINC000103042419 555226262 /nfs/dbraw/zinc/22/62/62/555226262.db2.gz NQVGKVPYUWQIDF-CJLVFECKSA-N 0 0 522.608 3.373 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000103042446 555226452 /nfs/dbraw/zinc/22/64/52/555226452.db2.gz NWGRYOKOLKPOFT-HZHRSRAPSA-N 0 0 534.619 3.299 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000103042457 555226361 /nfs/dbraw/zinc/22/63/61/555226361.db2.gz IPLADGJLLMSDSA-CPNJWEJPSA-N 0 0 535.047 3.376 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000103042494 1059665362 /nfs/dbraw/zinc/66/53/62/1059665362.db2.gz YYCVSAMXFVPAHS-XMHGGMMESA-N 0 0 568.599 3.354 50 0 KGAARN O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000103042624 555226456 /nfs/dbraw/zinc/22/64/56/555226456.db2.gz ASNMJNULVVLXHD-NBVRZTHBSA-N 0 0 523.633 3.141 50 0 KGAARN 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CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000103084361 555263259 /nfs/dbraw/zinc/26/32/59/555263259.db2.gz QPTMVASMOYZMRH-LJQANCHMSA-N 0 0 529.036 3.099 50 0 KGAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000103084366 555263225 /nfs/dbraw/zinc/26/32/25/555263225.db2.gz QPTMVASMOYZMRH-IBGZPJMESA-N 0 0 529.036 3.099 50 0 KGAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000103084503 1059667322 /nfs/dbraw/zinc/66/73/22/1059667322.db2.gz YMEMEIZBFDVHAH-XDHOZWIPSA-N 0 0 528.591 3.063 50 0 KGAARN CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)[C@H](c2cccc(Oc4ccccc4)c2)NC(=O)N3C)CC1 ZINC000103084734 555263610 /nfs/dbraw/zinc/26/36/10/555263610.db2.gz XFGLDASLDFXVAV-SANMLTNESA-N 0 0 532.597 3.073 50 0 KGAARN CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2cccc(Oc4ccccc4)c2)NC(=O)N3C)CC1 ZINC000103084736 555263609 /nfs/dbraw/zinc/26/36/09/555263609.db2.gz XFGLDASLDFXVAV-AREMUKBSSA-N 0 0 532.597 3.073 50 0 KGAARN CCCCCCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2ccccc2c1=O ZINC000103084768 555263573 /nfs/dbraw/zinc/26/35/73/555263573.db2.gz DEJPBJVZGDYYEM-UHFFFAOYSA-N 0 0 591.690 3.079 50 0 KGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)cc1 ZINC000103084809 555263608 /nfs/dbraw/zinc/26/36/08/555263608.db2.gz KMCUWNIQNKVZGG-UHFFFAOYSA-N 0 0 548.690 3.378 50 0 KGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000103084912 555263583 /nfs/dbraw/zinc/26/35/83/555263583.db2.gz KDTWZFINWLRZPW-QHCPKHFHSA-N 0 0 543.690 3.197 50 0 KGAARN CCCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc(OC)ccc1OC ZINC000103084914 555263557 /nfs/dbraw/zinc/26/35/57/555263557.db2.gz KDTWZFINWLRZPW-HSZRJFAPSA-N 0 0 543.690 3.197 50 0 KGAARN COc1ccc(CCN(C)S(=O)(=O)c2ccc(OC)c(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)c2)cc1OC ZINC000103085134 555263788 /nfs/dbraw/zinc/26/37/88/555263788.db2.gz OCPKKHRAGPOYFV-UHFFFAOYSA-N 0 0 607.726 3.226 50 0 KGAARN 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AKCZYLVRRRRJPS-VQEZFPEGSA-N 0 0 610.641 3.247 50 0 KGAARN CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000107618566 571420580 /nfs/dbraw/zinc/42/05/80/571420580.db2.gz FPRYYLFGRJZXPA-SFEDUJICSA-N 0 0 616.670 3.308 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000107803163 571421189 /nfs/dbraw/zinc/42/11/89/571421189.db2.gz NTVHVLVURXNAOQ-GJISQHIDSA-N 0 0 521.639 3.351 50 0 KGAARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000107803167 571421156 /nfs/dbraw/zinc/42/11/56/571421156.db2.gz NTVHVLVURXNAOQ-YVVITCHPSA-N 0 0 521.639 3.351 50 0 KGAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000108329520 562825449 /nfs/dbraw/zinc/82/54/49/562825449.db2.gz PDGVQNKYYZNZMG-PMACEKPBSA-N 0 0 541.091 3.364 50 0 KGAARN Cc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000108447338 571423553 /nfs/dbraw/zinc/42/35/53/571423553.db2.gz FIRYIETUDDCXKA-YXINZVNLSA-N 0 0 528.605 3.090 50 0 biogenic KGAARN Cc1ccc(C(OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000108447346 571423670 /nfs/dbraw/zinc/42/36/70/571423670.db2.gz NOTVIJWDAXXMDI-YXINZVNLSA-N 0 0 527.621 3.379 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447511 571423776 /nfs/dbraw/zinc/42/37/76/571423776.db2.gz ASOYTTYGBOPPMB-NRFANRHFSA-N 0 0 571.634 3.468 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3ccc4c(c3)OCO4)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447640 571423751 /nfs/dbraw/zinc/42/37/51/571423751.db2.gz RKTPZVXRHBDSHN-QFIPXVFZSA-N 0 0 575.618 3.320 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCNC(=O)OC(C)(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447703 571423892 /nfs/dbraw/zinc/42/38/92/571423892.db2.gz VAABOEZIIMOVEQ-JTSKRJEESA-N 0 0 598.697 3.304 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3ccco3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447780 571423885 /nfs/dbraw/zinc/42/38/85/571423885.db2.gz XRLCJBJMXABWOX-QFIPXVFZSA-N 0 0 535.597 3.227 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCc3ccc(O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447821 571423879 /nfs/dbraw/zinc/42/38/79/571423879.db2.gz AWORJKAYOGMYJI-DEOSSOPVSA-N 0 0 561.635 3.339 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC[C@@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447824 571423919 /nfs/dbraw/zinc/42/39/19/571423919.db2.gz AUYNZXPWKCAQKI-REWPJTCUSA-N 0 0 553.656 3.350 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC[C@H]3CCCO3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447826 571423936 /nfs/dbraw/zinc/42/39/36/571423936.db2.gz AUYNZXPWKCAQKI-OFNKIYASSA-N 0 0 553.656 3.350 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447916 571423866 /nfs/dbraw/zinc/42/38/66/571423866.db2.gz ZGPPEGRHOWYKKX-QHCPKHFHSA-N 0 0 610.708 3.354 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448218 571424041 /nfs/dbraw/zinc/42/40/41/571424041.db2.gz SDDGTPCMXSVJSD-SBUREZEXSA-N 0 0 553.656 3.206 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448378 571424290 /nfs/dbraw/zinc/42/42/90/571424290.db2.gz UZFFDZFXLWBFRN-BDYUSTAISA-N 0 0 610.752 3.138 50 0 biogenic KGAARN COCCCNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108448475 571424263 /nfs/dbraw/zinc/42/42/63/571424263.db2.gz WJRKAJBCUOACIZ-QFIPXVFZSA-N 0 0 541.645 3.208 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCc3c[nH]cn3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448521 571424183 /nfs/dbraw/zinc/42/41/83/571424183.db2.gz UEYLVEVPZOBALN-FIPFOOKPSA-N 0 0 577.682 3.382 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448577 571424391 /nfs/dbraw/zinc/42/43/91/571424391.db2.gz UCYGYXCISOWTRD-SANMLTNESA-N 0 0 610.752 3.284 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448690 571424397 /nfs/dbraw/zinc/42/43/97/571424397.db2.gz HFFVURDAJULBAN-QHCPKHFHSA-N 0 0 600.676 3.414 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc(C(N)=O)cc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448740 571424406 /nfs/dbraw/zinc/42/44/06/571424406.db2.gz ZGKZVSJXSZBXIX-QFIPXVFZSA-N 0 0 560.607 3.013 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449119 571424563 /nfs/dbraw/zinc/42/45/63/571424563.db2.gz HJUVRYFAEGTPRS-CYFREDJKSA-N 0 0 618.687 3.241 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3cc(C)n(C)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449587 193924425 /nfs/dbraw/zinc/92/44/25/193924425.db2.gz WDFFLEROJPMSBE-KKSFZXQISA-N 0 0 549.628 3.344 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450126 571425179 /nfs/dbraw/zinc/42/51/79/571425179.db2.gz CBSNWSZXPZWJIL-KKSFZXQISA-N 0 0 541.670 3.239 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450170 571425161 /nfs/dbraw/zinc/42/51/61/571425161.db2.gz ZNZCDYXJNHLMCX-DEOSSOPVSA-N 0 0 587.677 3.019 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450173 193925248 /nfs/dbraw/zinc/92/52/48/193925248.db2.gz WXFBUMSJIWSPFG-QHCPKHFHSA-N 0 0 555.672 3.334 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450381 571425180 /nfs/dbraw/zinc/42/51/80/571425180.db2.gz APKQCXJJDUHTMM-CPJSRVTESA-N 0 0 601.704 3.407 50 0 biogenic KGAARN COc1ccc(NC(=O)CNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cn1 ZINC000108450669 193926378 /nfs/dbraw/zinc/92/63/78/193926378.db2.gz HGFJKMWFKUVASE-NRFANRHFSA-N 0 0 548.596 3.317 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCc3nc4ccccc4n3C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450806 571425449 /nfs/dbraw/zinc/42/54/49/571425449.db2.gz GOMMOTMNDKRXHE-QFIPXVFZSA-N 0 0 585.661 3.478 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCc3nnc4ccccn43)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451255 193927283 /nfs/dbraw/zinc/92/72/83/193927283.db2.gz OXLFTOMIJRCZSP-DEOSSOPVSA-N 0 0 614.703 3.457 50 0 biogenic KGAARN CCOC(=O)N1CCN(C(=O)CCCNc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)CC1 ZINC000108451315 571425730 /nfs/dbraw/zinc/42/57/30/571425730.db2.gz SJHHSDDZARIHAT-DEOSSOPVSA-N 0 0 610.708 3.356 50 0 biogenic KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CCOCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108451494 193927836 /nfs/dbraw/zinc/92/78/36/193927836.db2.gz ZSOQNWFVEWNSHZ-CUNXSJBXSA-N 0 0 553.656 3.158 50 0 biogenic KGAARN COc1ccccc1OCCNC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108451616 571425871 /nfs/dbraw/zinc/42/58/71/571425871.db2.gz RJSNVKKJUNJSAK-QHCPKHFHSA-N 0 0 591.661 3.479 50 0 biogenic KGAARN COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000108477556 571425761 /nfs/dbraw/zinc/42/57/61/571425761.db2.gz RWIIURMGSYIIES-LTGLEFCMSA-N 0 0 562.594 3.467 50 0 KGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000108522095 571425961 /nfs/dbraw/zinc/42/59/61/571425961.db2.gz RIZPNLASTUJFMG-XPGKHFPBSA-N 0 0 523.501 3.298 50 0 KGAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)cc3s2)cc1 ZINC000108643597 571426508 /nfs/dbraw/zinc/42/65/08/571426508.db2.gz SLGXZOPFOPMUJS-UHFFFAOYSA-N 0 0 587.705 3.302 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000108787475 1060061087 /nfs/dbraw/zinc/06/10/87/1060061087.db2.gz CNNNCIGHRRNOFT-SCRHHBKZSA-N 0 0 526.570 3.370 50 0 KGAARN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000108787479 1060061289 /nfs/dbraw/zinc/06/12/89/1060061289.db2.gz CNNNCIGHRRNOFT-ARLGEPFESA-N 0 0 526.570 3.370 50 0 KGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)cc2)C[C@H](C)O1 ZINC000108824967 571426777 /nfs/dbraw/zinc/42/67/77/571426777.db2.gz AQGWCASSUGNQAL-ILLIAVPXSA-N 0 0 550.637 3.043 50 0 KGAARN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)cc2)C[C@@H](C)O1 ZINC000108824970 571426780 /nfs/dbraw/zinc/42/67/80/571426780.db2.gz AQGWCASSUGNQAL-BCRFLOQVSA-N 0 0 550.637 3.043 50 0 KGAARN CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc2)cc1 ZINC000108860578 571426944 /nfs/dbraw/zinc/42/69/44/571426944.db2.gz 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ZINC000113513530 571439540 /nfs/dbraw/zinc/43/95/40/571439540.db2.gz OIKDEDVILHBDFD-HSZRJFAPSA-N 0 0 504.520 3.461 50 0 KGAARN O=C(N/C(=C\c1ccc(I)o1)C(=O)N1CCN(c2cccnc2)CC1)c1ccccc1 ZINC000113561810 571440293 /nfs/dbraw/zinc/44/02/93/571440293.db2.gz PNZOLNMXYAWSDQ-HKWRFOASSA-N 0 0 528.350 3.399 50 0 KGAARN O=C(N/C(=C\c1ccc(I)o1)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000113562974 571440489 /nfs/dbraw/zinc/44/04/89/571440489.db2.gz VKFYTWNWSBGOHV-MNDPQUGUSA-N 0 0 528.350 3.399 50 0 KGAARN CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@H](O)CO ZINC000113568483 571440835 /nfs/dbraw/zinc/44/08/35/571440835.db2.gz MJUVRTYWUMPBTR-INIZCTEOSA-N 0 0 520.504 3.395 50 0 in-vitro KGAARN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000114833460 571443290 /nfs/dbraw/zinc/44/32/90/571443290.db2.gz BYGKUWPLEGHFKX-NSVAZKTRSA-N 0 0 530.577 3.211 50 0 KGAARN COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 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3.293 50 0 KGAARN COc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000245279998 572224811 /nfs/dbraw/zinc/22/48/11/572224811.db2.gz LWDGEADPWHIQNS-JTAQYXEDSA-N 0 0 520.051 3.359 50 0 KGAARN CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H](C)C2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000245281299 572225333 /nfs/dbraw/zinc/22/53/33/572225333.db2.gz XCWUBIZXAUDOPA-LVXARBLLSA-N 0 0 540.686 3.293 50 0 KGAARN CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000245283694 572225331 /nfs/dbraw/zinc/22/53/31/572225331.db2.gz OHDNAVPGJHLVLB-GKFQJYPJSA-N 0 0 655.678 3.446 50 0 KGAARN CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000245283695 572225199 /nfs/dbraw/zinc/22/51/99/572225199.db2.gz OHDNAVPGJHLVLB-HYKJKDMVSA-N 0 0 655.678 3.446 50 0 KGAARN CC(=O)OC[C@@H]1O[C@H](COc2ccc(C(=O)Cc3csc(-c4ccccc4)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 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ZINC000888089218 1059126835 /nfs/dbraw/zinc/12/68/35/1059126835.db2.gz OUNQXRAXCVJTDD-IFXJQAMLSA-N 0 0 521.574 3.025 50 0 KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3cc[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888089219 1059126790 /nfs/dbraw/zinc/12/67/90/1059126790.db2.gz OUNQXRAXCVJTDD-KUHUBIRLSA-N 0 0 521.574 3.025 50 0 KGAARN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3cc[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089392 1059127890 /nfs/dbraw/zinc/12/78/90/1059127890.db2.gz ZHSUSYZFNGFDBS-HXUWFJFHSA-N 0 0 535.601 3.417 50 0 KGAARN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1 ZINC000888089647 1059128034 /nfs/dbraw/zinc/12/80/34/1059128034.db2.gz UXUHKJJGGWYSQO-HPIXUHPUSA-N 0 0 564.643 3.446 50 0 KGAARN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc[nH]n1 ZINC000888089648 1059127998 /nfs/dbraw/zinc/12/79/98/1059127998.db2.gz UXUHKJJGGWYSQO-PCKXHRCSSA-N 0 0 564.643 3.446 50 0 KGAARN 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COC(=O)C[C@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O ZINC000888090414 1059131538 /nfs/dbraw/zinc/13/15/38/1059131538.db2.gz XDSIMRPQAIOXKU-OAQYLSRUSA-N 0 0 504.587 3.494 50 0 KGAARN COc1cc(OC)c(NC(=O)CN2C=C(c3nc(-c4ccccc4)no3)C(C)=NS2(=O)=O)cc1Cl ZINC000888104327 1059136498 /nfs/dbraw/zinc/13/64/98/1059136498.db2.gz CKICNKIJPVTZGG-UHFFFAOYSA-N 0 0 517.951 3.408 50 0 KGAARN CCc1nccn1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cc(ccc3OC)CCC(=O)N[C@H]2C1 ZINC000952855799 1059582325 /nfs/dbraw/zinc/58/23/25/1059582325.db2.gz AOKGWTNUOVMJCQ-BJKOFHAPSA-N 0 0 518.614 3.495 50 0 KGAARN CCc1ccc2occ(CC(=O)N3CCCCN(C)C(=O)[C@H](C)NC(=O)COc4cc(O)cc(c4)C(=O)NCCC3)c2c1 ZINC000952855810 1059582220 /nfs/dbraw/zinc/58/22/20/1059582220.db2.gz CXJQYAIUSHARHP-NRFANRHFSA-N 0 0 592.693 3.028 50 0 KGAARN Cc1cc(C)n(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1 ZINC000952855821 1059582307 /nfs/dbraw/zinc/58/23/07/1059582307.db2.gz DRRAXLNERHGRQX-URLMMPGGSA-N 0 0 573.694 3.389 50 0 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KGAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc4c(c3)ncn4CCO)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863871 1059620962 /nfs/dbraw/zinc/62/09/62/1059620962.db2.gz VZPCGFKRUGTZKI-IGYGKHONSA-N 0 0 627.698 3.221 50 0 KGAARN CCCc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)[nH]n1 ZINC000952863887 1059622002 /nfs/dbraw/zinc/62/20/02/1059622002.db2.gz ZGLJLUJUNKFRMJ-IZZNHLLZSA-N 0 0 545.640 3.465 50 0 KGAARN CCCc1nc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)no1 ZINC000952863890 1059621990 /nfs/dbraw/zinc/62/19/90/1059621990.db2.gz GRZLNNWWKZJHEB-IGKIAQTJSA-N 0 0 593.681 3.134 50 0 KGAARN CCc1[nH]nc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)c1C ZINC000952863892 1059621963 /nfs/dbraw/zinc/62/19/63/1059621963.db2.gz JKHPNDWXTQLONI-RRPNLBNLSA-N 0 0 559.667 3.394 50 0 KGAARN COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1sc(N(C)C)nc1Cl)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952863896 1059622092 /nfs/dbraw/zinc/62/20/92/1059622092.db2.gz 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ZINC000952863957 1059622718 /nfs/dbraw/zinc/62/27/18/1059622718.db2.gz UIXBAZGJKKQBFW-RRPNLBNLSA-N 0 0 544.608 3.274 50 0 KGAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccoc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952863975 1059622745 /nfs/dbraw/zinc/62/27/45/1059622745.db2.gz FFKLDRNGLWEJFX-IZZNHLLZSA-N 0 0 533.581 3.472 50 0 KGAARN Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)cc(=O)[nH]1 ZINC000952863977 1059622673 /nfs/dbraw/zinc/62/26/73/1059622673.db2.gz HDSFUEULIVMKGP-RRPNLBNLSA-N 0 0 558.635 3.209 50 0 KGAARN Cc1nccc(C(=O)N2CC[C@@]34c5ccccc5N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)C4=O)n1 ZINC000952863988 1059622645 /nfs/dbraw/zinc/62/26/45/1059622645.db2.gz HEHJMXBHNQXRGB-LITSAYRRSA-N 0 0 521.581 3.231 50 0 KGAARN COCCN1CC(=O)N[C@H]2CN(Cc3ccncc3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O ZINC000952864000 1059622819 /nfs/dbraw/zinc/62/28/19/1059622819.db2.gz HGEYCLKOSIYKDD-FIBWVYCGSA-N 0 0 574.678 3.190 50 0 KGAARN O=C(c1ncccc1O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 ZINC000952864007 1059622793 /nfs/dbraw/zinc/62/27/93/1059622793.db2.gz KFXGNEPXYHNDST-WNJJXGMVSA-N 0 0 522.565 3.233 50 0 KGAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3nc(C4CC4)no3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952864008 1059622779 /nfs/dbraw/zinc/62/27/79/1059622779.db2.gz WYBXABCZYVOHCZ-BJKOFHAPSA-N 0 0 531.613 3.409 50 0 KGAARN COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc3cccc(F)c3n1)CCCNC(=O)CC2 ZINC000952864010 1059622731 /nfs/dbraw/zinc/62/27/31/1059622731.db2.gz KLRARVHIDDNOFX-QFIPXVFZSA-N 0 0 621.710 3.100 50 0 KGAARN CC(=O)c1c(C)nn(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c1C ZINC000952864012 1059622766 /nfs/dbraw/zinc/62/27/66/1059622766.db2.gz HISMLVCCRYHJOI-RRPNLBNLSA-N 0 0 587.677 3.191 50 0 KGAARN COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(F)c(OC)c(F)c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O ZINC000952864026 1059624171 /nfs/dbraw/zinc/62/41/71/1059624171.db2.gz 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/nfs/dbraw/zinc/62/41/16/1059624116.db2.gz LILSFMMBTYXORD-SVBPBHIXSA-N 0 0 578.666 3.206 50 0 KGAARN Cc1noc(C)c1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952864127 1059623994 /nfs/dbraw/zinc/62/39/94/1059623994.db2.gz IJQRQKKEVXWZFR-NSOVKSMOSA-N 0 0 590.677 3.157 50 0 KGAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CSCC3CC3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864146 1059624221 /nfs/dbraw/zinc/62/42/21/1059624221.db2.gz IQVZZMZOEPUCKW-NSOVKSMOSA-N 0 0 612.749 3.176 50 0 KGAARN O=C1N[C@H]2CN(C(=O)c3scc4c3CCCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952864170 1059624037 /nfs/dbraw/zinc/62/40/37/1059624037.db2.gz YKAXVUYKQRJGFL-GMAHTHKFSA-N 0 0 542.061 3.494 50 0 KGAARN Cc1nc(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)cs1 ZINC000952864208 1059625148 /nfs/dbraw/zinc/62/51/48/1059625148.db2.gz MTJOSVKSFCIGNY-LOSJGSFVSA-N 0 0 548.665 3.483 50 0 KGAARN CCn1cc(Cl)c(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)n1 ZINC000952864218 1059625038 /nfs/dbraw/zinc/62/50/38/1059625038.db2.gz NAALIVZETXAKIB-SVBPBHIXSA-N 0 0 641.125 3.216 50 0 KGAARN CC(C)COc1cc2cc(c1)C(=O)NCC(=O)N1CCN(Cc3cccnc3)C[C@@H]1C(=O)NCCc1cccc(c1)O2 ZINC000952864227 1059625089 /nfs/dbraw/zinc/62/50/89/1059625089.db2.gz ZCOZCJNERSBPJM-GDLZYMKVSA-N 0 0 571.678 3.024 50 0 KGAARN COCCCCCC(=O)N1CC[C@@]23c4ccccc4N(CC(=O)NCCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864230 1059625065 /nfs/dbraw/zinc/62/50/65/1059625065.db2.gz ZDPPBJAMOJPBHT-LMSSTIIKSA-N 0 0 505.615 3.350 50 0 KGAARN CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3ccc4[nH]c(CO)nc4c3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952864234 1059625099 /nfs/dbraw/zinc/62/50/99/1059625099.db2.gz ZHRVVSSUXRIUJL-URLMMPGGSA-N 0 0 613.671 3.248 50 0 KGAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)nc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952864238 1059625112 /nfs/dbraw/zinc/62/51/12/1059625112.db2.gz ZKELHLSJYXJNIL-VMPREFPWSA-N 0 0 603.676 3.050 50 0 KGAARN COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3ccc[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 ZINC000952864267 1059625078 /nfs/dbraw/zinc/62/50/78/1059625078.db2.gz MTXGEMXKOMEFAS-LSYYVWMOSA-N 0 0 558.635 3.279 50 0 KGAARN Cc1noc(C)c1C(=O)N1CC[C@@]23c4ccccc4N(CC(=O)N(C)CCCOc4cccc(c4)[C@H]12)C3=O ZINC000952864274 1059625053 /nfs/dbraw/zinc/62/50/53/1059625053.db2.gz JTOGWVPVFLASDQ-LITSAYRRSA-N 0 0 514.582 3.404 50 0 KGAARN CCN1CC(=O)N[C@H]2CN(C(=O)C3(Cn4ccnc4)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O ZINC000952864275 1059625126 /nfs/dbraw/zinc/62/51/26/1059625126.db2.gz MXFKCHPEEVAHHN-NSOVKSMOSA-N 0 0 571.678 3.163 50 0 KGAARN CCc1nnc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)[nH]1 ZINC000952864290 1059625015 /nfs/dbraw/zinc/62/50/15/1059625015.db2.gz NXDQBPKBDWESIS-RRPNLBNLSA-N 0 0 574.682 3.358 50 0 KGAARN COCCN1C[C@@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CCC1=O ZINC000952864293 1059626060 /nfs/dbraw/zinc/62/60/60/1059626060.db2.gz NXMPRSXLIMAVBZ-DEOSSOPVSA-N 0 0 519.642 3.188 50 0 KGAARN COCCN1C[C@H](C(=O)N2CCC3(CC2)Cc2cccc(c2)Oc2cccc(c2)CCNC3=O)CCC1=O ZINC000952864298 1059626169 /nfs/dbraw/zinc/62/61/69/1059626169.db2.gz NXMPRSXLIMAVBZ-XMMPIXPASA-N 0 0 519.642 3.188 50 0 KGAARN COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cnc(N4CCN(C)CC4)nc3C)C[C@@H]1NC(=O)CC2 ZINC000952864311 1059626137 /nfs/dbraw/zinc/62/61/37/1059626137.db2.gz OEJVTHYQQZIQIH-WUFINQPMSA-N 0 0 600.720 3.200 50 0 KGAARN CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCc3[nH]nc(CO)c3C2)NC1=O ZINC000952864349 1059626179 /nfs/dbraw/zinc/62/61/79/1059626179.db2.gz OYZQYKCMWMLVDT-DSPMFFIESA-N 0 0 678.790 3.192 50 0 KGAARN CCCCc1nc(CN2CCC3(Cc4cn(nn4)CCCOc4ccc(cc4)CCNC3=O)CC2)c[nH]1 ZINC000952864354 1059626238 /nfs/dbraw/zinc/62/62/38/1059626238.db2.gz FPYPWISBRAEWBO-UHFFFAOYSA-N 0 0 505.667 3.310 50 0 KGAARN COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3ccccn3)C[C@@H]1OCc1cccc(c1)O2 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FKOLFLLLAMGKBD-RRPNLBNLSA-N 0 0 543.624 3.472 50 0 KGAARN CC(=O)N[C@H]1CCN(C(=O)[C@H]2Cc3ccc(cc3)Oc3cc(ccc3F)CC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N2)C1 ZINC000952969410 1059647447 /nfs/dbraw/zinc/64/74/47/1059647447.db2.gz JHNYCKRKOWDBJC-OYUXKOKYSA-N 0 0 685.797 3.197 50 0 KGAARN COc1ccc2cc1Oc1cccc(c1)CCNC(=O)[C@H]1CN(C(=O)c3noc4c3CCCC4)CCN1C(=O)[C@@H](C(C)C)NC2=O ZINC000952969525 1059647380 /nfs/dbraw/zinc/64/73/80/1059647380.db2.gz AXMIGBWJGWQJEN-VAVYLYDRSA-N 0 0 629.714 3.134 50 0 KGAARN CC(C)C[C@@H]1NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)NCC2=CSC3=NCCN23)NC1=O ZINC000952971354 1059647529 /nfs/dbraw/zinc/64/75/29/1059647529.db2.gz DFRPROXNIOEGDO-ZEQRLZLVSA-N 0 0 533.654 3.040 50 0 KGAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3c(C)nc4ncnn4c3C)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952971861 1059647421 /nfs/dbraw/zinc/64/74/21/1059647421.db2.gz GOFHYLDKGAGCTN-WUFINQPMSA-N 0 0 611.703 3.163 50 0 KGAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc[nH]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952972565 1059647405 /nfs/dbraw/zinc/64/74/05/1059647405.db2.gz PBPVNHWNGOSVTK-BJKOFHAPSA-N 0 0 502.571 3.117 50 0 KGAARN Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cnc(C)c(C)n3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952973438 1059647549 /nfs/dbraw/zinc/64/75/49/1059647549.db2.gz SNSBEQBYBUVRRN-ZCYQVOJMSA-N 0 0 501.587 3.170 50 0 KGAARN Cc1ncc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1C ZINC000952974475 1059647461 /nfs/dbraw/zinc/64/74/61/1059647461.db2.gz VAOSOCNKACUIJD-IZZNHLLZSA-N 0 0 517.630 3.191 50 0 KGAARN O=C1COc2ccc3c(c2)CCN(C(=O)CC2=CSC4=NCCCN24)[C@H]3c2cccc(c2)OCCCN1 ZINC000952975356 1059647501 /nfs/dbraw/zinc/64/75/01/1059647501.db2.gz XVSZKJCXKCNSSY-MHZLTWQESA-N 0 0 518.639 3.478 50 0 KGAARN Cc1cc(CC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)on1 ZINC000952976301 1059648240 /nfs/dbraw/zinc/64/82/40/1059648240.db2.gz QLVYLYSUOMLDRK-SVBPBHIXSA-N 0 0 516.598 3.208 50 0 KGAARN COc1ccc2cc1Oc1cccc(c1)CCNC(=O)[C@H]1CN(C(=O)c3c(C)nc4sccn43)CCN1C(=O)[C@@H](C(C)C)NC2=O ZINC000952977176 1059648406 /nfs/dbraw/zinc/64/84/06/1059648406.db2.gz SQOIFMRYALIUMA-SHQCIBLASA-N 0 0 644.754 3.285 50 0 KGAARN CC(=O)O[C@@H]1C=C[C@@](C)(O)C(=O)[C@H](C)CC=C[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]321 ZINC001500985903 1060034951 /nfs/dbraw/zinc/03/49/51/1060034951.db2.gz NAIODHJWOHMDJX-FNUWZCTMSA-N 0 0 507.627 3.061 50 0 KGAARN CC(=O)O[C@@H]1C=C[C@@](C)(O)C(=O)[C@H](C)CC=C[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]321 ZINC001500985904 1060035280 /nfs/dbraw/zinc/03/52/80/1060035280.db2.gz NAIODHJWOHMDJX-WLXMOVQUSA-N 0 0 507.627 3.061 50 0 KGAARN 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@@H](O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@](O)([C@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC001529331758 1060036563 /nfs/dbraw/zinc/03/65/63/1060036563.db2.gz ZDZOTLJHXYCWBA-LPDRMYLZSA-N 0 0 807.890 3.260 50 0 KGAARN 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@@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C ZINC001529382527 1060036516 /nfs/dbraw/zinc/03/65/16/1060036516.db2.gz TYLVGQKNNUHXIP-KERZSKHCSA-N 0 0 811.881 3.165 50 0 KGAARN COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@@H](O)[C@@H]2O[C@H](n3cnc4c3nc(NC(=O)C(C)C)[nH]c4=O)[C@@H](O)[C@H]2O)cc1 ZINC001529548046 1060036494 /nfs/dbraw/zinc/03/64/94/1060036494.db2.gz LCONRKMFLXPTDC-BIRRFFDLSA-N 0 0 655.708 3.158 50 0 KGAARN