smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000000678975 551523104 /nfs/dbraw/zinc/52/31/04/551523104.db2.gz RYFCZDXFFBVNQD-UHFFFAOYSA-N -1 0 537.788 2.896 50 0 KFAARM O=C([O-])[C@H](CO)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938106 551587391 /nfs/dbraw/zinc/58/73/91/551587391.db2.gz NLRJCROSGYRCIU-REOHCLBHSA-N -1 0 550.779 2.778 50 0 KFAARM O=C([O-])[C@@H](CO)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000000938107 551587425 /nfs/dbraw/zinc/58/74/25/551587425.db2.gz NLRJCROSGYRCIU-UWTATZPHSA-N -1 0 550.779 2.778 50 0 KFAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(I)cnn3C)cc2)c1C ZINC000001019025 551597293 /nfs/dbraw/zinc/59/72/93/551597293.db2.gz KKRSFCQSWXZOIO-UHFFFAOYSA-N -1 0 501.306 2.683 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(F)c(F)c4)CC3)cc21 ZINC000001142266 551617614 /nfs/dbraw/zinc/61/76/14/551617614.db2.gz IRZGZIBVTLESAX-UHFFFAOYSA-N -1 0 518.517 2.974 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc(NC(=O)OC)cc4)CC3)cc21 ZINC000001241281 551630941 /nfs/dbraw/zinc/63/09/41/551630941.db2.gz IYULWAWZSYJCLE-UHFFFAOYSA-N -1 0 532.550 2.548 50 0 KFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)s1 ZINC000001738619 551691255 /nfs/dbraw/zinc/69/12/55/551691255.db2.gz PVMQAGMVWWCCAY-UHFFFAOYSA-N -1 0 521.646 2.938 50 0 KFAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)cc1 ZINC000001738634 551691203 /nfs/dbraw/zinc/69/12/03/551691203.db2.gz YRUOHLSLCKVUOY-UHFFFAOYSA-N -1 0 549.631 2.577 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)nc(OC)n1 ZINC000001748664 551692520 /nfs/dbraw/zinc/69/25/20/551692520.db2.gz VQMJZFHFPKNEJV-UHFFFAOYSA-N -1 0 561.642 2.722 50 0 KFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)cc2)s1 ZINC000001769254 551695772 /nfs/dbraw/zinc/69/57/72/551695772.db2.gz NBXMBNZNBOZDPK-HOTGVXAUSA-N -1 0 565.699 2.952 50 0 KFAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001781576 551698316 /nfs/dbraw/zinc/69/83/16/551698316.db2.gz QYWDUJSTZZVDAU-GNISGLHKSA-N -1 0 501.333 2.802 50 0 KFAARM O=C([O-])CNC(=O)CN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000001791755 551701876 /nfs/dbraw/zinc/70/18/76/551701876.db2.gz GHUFAVWLWHAPGG-UHFFFAOYSA-N -1 0 577.805 2.533 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)[nH]3)CCC5)cc2)nc(OC)n1 ZINC000001805480 551704571 /nfs/dbraw/zinc/70/45/71/551704571.db2.gz PEGHWNLEWZRBRK-UHFFFAOYSA-N -1 0 574.666 2.812 50 0 KFAARM CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCS(=O)(=O)[O-])C3=O)c3ccccc32)cc1 ZINC000001818394 1059426481 /nfs/dbraw/zinc/42/64/81/1059426481.db2.gz MHXKNDMOMWMKKU-FMQUCBEESA-N -1 0 547.636 2.530 50 0 KFAARM CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C(F)(F)F ZINC000001856256 551716163 /nfs/dbraw/zinc/71/61/63/551716163.db2.gz BDZXFPKNFTZOSC-OAQYLSRUSA-N -1 0 523.493 2.941 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)nc(OC)n1 ZINC000001873878 551720706 /nfs/dbraw/zinc/72/07/06/551720706.db2.gz DENJTFNVJDZZEA-UHFFFAOYSA-N -1 0 562.655 2.940 50 0 KFAARM CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)n2N)c1 ZINC000001900493 551730667 /nfs/dbraw/zinc/73/06/67/551730667.db2.gz CHPKFGGCMUSUGN-UHFFFAOYSA-N -1 0 554.658 2.996 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000002049460 551737460 /nfs/dbraw/zinc/73/74/60/551737460.db2.gz BFUBIQJLLTXLHN-AFHVAHMMSA-N -1 0 508.552 2.514 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000002049462 551737496 /nfs/dbraw/zinc/73/74/96/551737496.db2.gz BFUBIQJLLTXLHN-ZRELAVNMSA-N -1 0 508.552 2.514 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000002049556 551737726 /nfs/dbraw/zinc/73/77/26/551737726.db2.gz XSQDEOJNULNBPG-LPRAYXGFSA-N -1 0 512.971 2.915 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000002049558 551737703 /nfs/dbraw/zinc/73/77/03/551737703.db2.gz XSQDEOJNULNBPG-BHSBJAHRSA-N -1 0 512.971 2.915 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000002049560 561680490 /nfs/dbraw/zinc/68/04/90/561680490.db2.gz RAHUOJTWCHPLKH-BXDIUNCMSA-N -1 0 524.620 2.984 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000002049562 561680511 /nfs/dbraw/zinc/68/05/11/561680511.db2.gz RAHUOJTWCHPLKH-JPFXZVHCSA-N -1 0 524.620 2.984 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(Cc4ccccc4)C(=O)C(C#N)=C3C)cc2)nc(OC)n1 ZINC000002144524 551775754 /nfs/dbraw/zinc/77/57/54/551775754.db2.gz XRNKMPQQOFGXBZ-PXLXIMEGSA-N -1 0 560.592 2.999 50 0 KFAARM C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002147689 551776549 /nfs/dbraw/zinc/77/65/49/551776549.db2.gz VIRHHEQMCQPPFZ-GYCJOSAFSA-N -1 0 531.565 2.849 50 0 biogenic KFAARM COc1cc(-n2c(=O)c([C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c([O-])n(C)c2=S)cc(OC)c1OC ZINC000002151401 551778340 /nfs/dbraw/zinc/77/83/40/551778340.db2.gz FIVGPUXVPCMHDA-HXUWFJFHSA-N -1 0 543.598 2.951 50 0 biogenic KFAARM COc1cc(-n2c(=O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)c([O-])n(C)c2=S)cc(OC)c1OC ZINC000002151405 551778401 /nfs/dbraw/zinc/77/84/01/551778401.db2.gz FIVGPUXVPCMHDA-FQEVSTJZSA-N -1 0 543.598 2.951 50 0 biogenic KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 ZINC000002164087 551781571 /nfs/dbraw/zinc/78/15/71/551781571.db2.gz RVSFQVOUVQGBBB-GLSAMTQTSA-N -1 0 552.605 2.669 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 ZINC000002164093 551781597 /nfs/dbraw/zinc/78/15/97/551781597.db2.gz RVSFQVOUVQGBBB-WDONWYDGSA-N -1 0 552.605 2.669 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 ZINC000002174533 551783103 /nfs/dbraw/zinc/78/31/03/551783103.db2.gz BMTURKGMUDTJQK-QDNAUZDWSA-N -1 0 552.605 2.669 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 ZINC000002174535 551783082 /nfs/dbraw/zinc/78/30/82/551783082.db2.gz BMTURKGMUDTJQK-AOLPSBPOSA-N -1 0 552.605 2.669 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccc(Cl)cc4Cl)CC3)nc21 ZINC000002226981 551797114 /nfs/dbraw/zinc/79/71/14/551797114.db2.gz KDDIZBJYFQITFH-UHFFFAOYSA-N -1 0 535.413 2.653 50 0 KFAARM CCn1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000002271011 551805067 /nfs/dbraw/zinc/80/50/67/551805067.db2.gz HNFBLDYRSOKDNP-QFIPXVFZSA-N -1 0 512.538 2.555 50 0 KFAARM CCn1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21 ZINC000002271012 551805081 /nfs/dbraw/zinc/80/50/81/551805081.db2.gz HNFBLDYRSOKDNP-JOCHJYFZSA-N -1 0 512.538 2.555 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4cccc(F)c4)CC3)cc21 ZINC000002280291 551806067 /nfs/dbraw/zinc/80/60/67/551806067.db2.gz HASPBBZZYQNEOX-UHFFFAOYSA-N -1 0 500.527 2.835 50 0 KFAARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)c(OC)c3)C2=O)c1 ZINC000002281034 552086957 /nfs/dbraw/zinc/08/69/57/552086957.db2.gz BCSULTZHAMMARE-WUXMJOGZSA-N -1 0 524.267 2.689 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)c(F)c3)cc2)nc(OC)n1 ZINC000002329396 552096036 /nfs/dbraw/zinc/09/60/36/552096036.db2.gz VEUREYOWVSEISF-UHFFFAOYSA-N -1 0 509.516 2.700 50 0 KFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3N)cc2)nc(C)n1 ZINC000002335094 552096867 /nfs/dbraw/zinc/09/68/67/552096867.db2.gz LMMNLZXQULVZKC-UHFFFAOYSA-N -1 0 528.595 2.736 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccccc4F)CC3)cc21 ZINC000002338875 552097449 /nfs/dbraw/zinc/09/74/49/552097449.db2.gz XDYSBUAWRBKWTK-UHFFFAOYSA-N -1 0 500.527 2.835 50 0 KFAARM NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002340895 552098139 /nfs/dbraw/zinc/09/81/39/552098139.db2.gz UNDYCZNSKOKHJC-UHFFFAOYSA-N -1 0 513.586 2.826 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(nc5c(C)cccn5c4=O)n3C)cc2)n1 ZINC000002342761 552098346 /nfs/dbraw/zinc/09/83/46/552098346.db2.gz BXHUZGUMUBAORW-UHFFFAOYSA-N -1 0 517.571 2.955 50 0 KFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000002350597 552099943 /nfs/dbraw/zinc/09/99/43/552099943.db2.gz QBZDBXBXLKXGGS-UHFFFAOYSA-N -1 0 512.573 2.780 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(Cl)nc4)CC3)cc21 ZINC000002353536 552100446 /nfs/dbraw/zinc/10/04/46/552100446.db2.gz KVRBBVOYUUXKQB-UHFFFAOYSA-N -1 0 517.970 2.744 50 0 KFAARM Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)n2N)c1 ZINC000002355848 552100993 /nfs/dbraw/zinc/10/09/93/552100993.db2.gz UEXDNVOBUCWQRZ-UHFFFAOYSA-N -1 0 524.632 2.906 50 0 KFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccncc4)n3C)cc2)nc(C)n1 ZINC000002355998 552100970 /nfs/dbraw/zinc/10/09/70/552100970.db2.gz ZQFUXRVPLVOALT-UHFFFAOYSA-N -1 0 510.605 2.816 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(nc5ccccn5c4=O)n3C)cc2)n1 ZINC000002358754 552101792 /nfs/dbraw/zinc/10/17/92/552101792.db2.gz DTFYJPKWYZYJFX-UHFFFAOYSA-N -1 0 503.544 2.646 50 0 KFAARM COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)n2N)c1 ZINC000002361089 552102485 /nfs/dbraw/zinc/10/24/85/552102485.db2.gz OOOFOMVVXSPMAX-UHFFFAOYSA-N -1 0 540.631 2.606 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)cc2)ncn1 ZINC000002366914 552104369 /nfs/dbraw/zinc/10/43/69/552104369.db2.gz NRKXRVNQEOCYCK-VZUCSPMQSA-N -1 0 529.600 2.830 50 0 KFAARM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)cc1 ZINC000002368678 552104619 /nfs/dbraw/zinc/10/46/19/552104619.db2.gz RNGJZXQCLBLZAP-AWNIVKPZSA-N -1 0 529.600 2.830 50 0 KFAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000002434001 552118320 /nfs/dbraw/zinc/11/83/20/552118320.db2.gz RBGHWCNEXVXEIV-XJFCNFDWSA-N -1 0 533.588 2.970 50 0 KFAARM O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C(=O)N1Cc1ccccc1Cl ZINC000002437908 552118919 /nfs/dbraw/zinc/11/89/19/552118919.db2.gz ZQLAGGCXZCOZRF-AFMDSPMNSA-N -1 0 505.962 2.918 50 0 KFAARM Cc1ccc2nc3c(cc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nc(C)cc(C)n5)cc4)n3C)c(=O)n2c1 ZINC000002438813 552119217 /nfs/dbraw/zinc/11/92/17/552119217.db2.gz QJRSZOUJOWHTLX-UHFFFAOYSA-N -1 0 517.571 2.955 50 0 KFAARM CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1cnccn1 ZINC000002447919 552122083 /nfs/dbraw/zinc/12/20/83/552122083.db2.gz OJUVNMFRIBXBGO-UHFFFAOYSA-N -1 0 525.620 2.693 50 0 KFAARM COc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc(OC)c1OC ZINC000002551766 552129159 /nfs/dbraw/zinc/12/91/59/552129159.db2.gz IGWAYNKUECESGK-UHFFFAOYSA-N -1 0 506.562 2.936 50 0 KFAARM O=C(c1cnn(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000002652834 552147549 /nfs/dbraw/zinc/14/75/49/552147549.db2.gz AYNJBGCAZHPKSG-UHFFFAOYSA-N -1 0 510.355 2.836 50 0 KFAARM CN(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002654542 552148347 /nfs/dbraw/zinc/14/83/47/552148347.db2.gz YKILIUYEVFVCPV-UHFFFAOYSA-N -1 0 501.011 2.857 50 0 KFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CNS(=O)(=O)c3ccccc3C(F)(F)F)cc2)no1 ZINC000002659746 552149927 /nfs/dbraw/zinc/14/99/27/552149927.db2.gz ZXRYPEOIGBEVFE-UHFFFAOYSA-N -1 0 518.495 2.720 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1 ZINC000002663409 552150774 /nfs/dbraw/zinc/15/07/74/552150774.db2.gz ZOHMYWVSDKYBBM-UHFFFAOYSA-N -1 0 515.617 2.931 50 0 KFAARM Cc1c(C(=O)[O-])sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c12 ZINC000002700719 552159729 /nfs/dbraw/zinc/15/97/29/552159729.db2.gz FTJVAKULDSCYLH-UHFFFAOYSA-N -1 0 510.619 2.799 50 0 KFAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000002709303 552160393 /nfs/dbraw/zinc/16/03/93/552160393.db2.gz YVMSHXGQLSGPFG-UHFFFAOYSA-N -1 0 503.606 2.869 50 0 KFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)n1 ZINC000002709317 552160738 /nfs/dbraw/zinc/16/07/38/552160738.db2.gz GSYGPBIGRFBPHE-UHFFFAOYSA-N -1 0 501.590 2.623 50 0 KFAARM COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc4ccccc4s3)[n-]c2=O)cc1OC ZINC000002712631 552160993 /nfs/dbraw/zinc/16/09/93/552160993.db2.gz BHNPERQYPCIAMG-UHFFFAOYSA-N -1 0 512.573 2.962 50 0 KFAARM CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@@H]12)n1nc(C)c(Cl)c1C ZINC000002730745 552168167 /nfs/dbraw/zinc/16/81/67/552168167.db2.gz ZJZIJNIHLGQSQC-IAISJRAMSA-N -1 0 543.096 2.795 50 0 KFAARM Cn1ncc(I)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000002742326 552172227 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CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)cc2)s1 ZINC000004522224 552462689 /nfs/dbraw/zinc/46/26/89/552462689.db2.gz NBXMBNZNBOZDPK-HZPDHXFCSA-N -1 0 565.699 2.952 50 0 KFAARM COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)[O-])cc2ccccc21 ZINC000004545851 552465515 /nfs/dbraw/zinc/46/55/15/552465515.db2.gz QFJWKXYGBSQMDX-RLSLOFABSA-N -1 0 576.650 2.779 50 0 in-vitro KFAARM COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCC(=O)[O-])cc2ccccc21 ZINC000004545852 552465419 /nfs/dbraw/zinc/46/54/19/552465419.db2.gz QFJWKXYGBSQMDX-RNHFSVANSA-N -1 0 576.650 2.779 50 0 KFAARM COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)[O-])cc2ccccc21 ZINC000004545853 552465433 /nfs/dbraw/zinc/46/54/33/552465433.db2.gz QFJWKXYGBSQMDX-DFIYOIEZSA-N -1 0 576.650 2.779 50 0 KFAARM COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCC(=O)[O-])cc2ccccc21 ZINC000004545854 552465483 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518.407 2.768 50 0 KFAARM CCOC(=O)[C@](O)(c1ccc([N-][C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000008445391 553054268 /nfs/dbraw/zinc/05/42/68/553054268.db2.gz FVDBHHBVHRIXCE-QZTJIDSGSA-N -1 0 518.407 2.768 50 0 KFAARM CCOC(=O)[C@@](O)(c1ccc([N-][C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c(OC)c1)C(F)(F)F ZINC000008445392 553054155 /nfs/dbraw/zinc/05/41/55/553054155.db2.gz FVDBHHBVHRIXCE-ROUUACIJSA-N -1 0 518.407 2.768 50 0 KFAARM CCOC(=O)[C@@]([N-]c1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1OC)(NC(=O)CC)C(F)(F)F ZINC000008445393 553054241 /nfs/dbraw/zinc/05/42/41/553054241.db2.gz FVDBHHBVHRIXCE-ZWKOTPCHSA-N -1 0 518.407 2.768 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OCC ZINC000008452220 553063115 /nfs/dbraw/zinc/06/31/15/553063115.db2.gz QNNGQXXTHAOMND-JRXNCPAPSA-N -1 0 522.579 2.660 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OCC ZINC000008452221 553063129 /nfs/dbraw/zinc/06/31/29/553063129.db2.gz QNNGQXXTHAOMND-ZBXXMNEPSA-N -1 0 522.579 2.660 50 0 KFAARM COc1cccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c1 ZINC000008592405 553084038 /nfs/dbraw/zinc/08/40/38/553084038.db2.gz MVZBVRLRNMPWSA-UHFFFAOYSA-N -1 0 524.418 2.782 50 0 KFAARM COc1ccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1 ZINC000008592439 553083999 /nfs/dbraw/zinc/08/39/99/553083999.db2.gz TXOXXECOMBAZKB-UHFFFAOYSA-N -1 0 524.418 2.782 50 0 KFAARM O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000008604702 553097974 /nfs/dbraw/zinc/09/79/74/553097974.db2.gz AUUQSKIFVARQGQ-UHFFFAOYSA-N -1 0 538.401 2.867 50 0 KFAARM CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000008618153 553102934 /nfs/dbraw/zinc/10/29/34/553102934.db2.gz JOABRYYFUUNGEC-UHFFFAOYSA-N -1 0 517.578 2.563 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(OC)cc4)CC3)cc21 ZINC000008743235 553133491 /nfs/dbraw/zinc/13/34/91/553133491.db2.gz TVFWQQFKFQPBNK-UHFFFAOYSA-N -1 0 512.563 2.704 50 0 KFAARM CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Br)cc4)c(=O)c2=3)cc1 ZINC000008756691 553135896 /nfs/dbraw/zinc/13/58/96/553135896.db2.gz XWHAOADMAGLZGJ-QZTJIDSGSA-N -1 0 500.309 2.558 50 0 KFAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000008788894 553145200 /nfs/dbraw/zinc/14/52/00/553145200.db2.gz MRIOEORREGDNCX-COPCDDAFSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O)C(=O)[O-] ZINC000008789210 553145355 /nfs/dbraw/zinc/14/53/55/553145355.db2.gz RFNXXOFJKCHHTD-MHPIHPPYSA-N -1 0 500.621 2.941 50 0 biogenic KFAARM CSCC[C@@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O)C(=O)[O-] ZINC000008789597 553145752 /nfs/dbraw/zinc/14/57/52/553145752.db2.gz RFNXXOFJKCHHTD-WYEJZRMESA-N -1 0 500.621 2.941 50 0 biogenic KFAARM CSCC[C@@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790038 553146130 /nfs/dbraw/zinc/14/61/30/553146130.db2.gz FEFNBLCJYQDJLI-PKOBYXMFSA-N -1 0 507.653 2.783 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790066 553146139 /nfs/dbraw/zinc/14/61/39/553146139.db2.gz FEFNBLCJYQDJLI-MJGOQNOKSA-N -1 0 507.653 2.783 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008790246 553146409 /nfs/dbraw/zinc/14/64/09/553146409.db2.gz RZKVDWKVDCRWKM-BLVZXNIKSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000008790247 553146430 /nfs/dbraw/zinc/14/64/30/553146430.db2.gz RZKVDWKVDCRWKM-OJFHNSJASA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C)C(=O)[O-] ZINC000008790315 553146404 /nfs/dbraw/zinc/14/64/04/553146404.db2.gz RZKVDWKVDCRWKM-RYYYPKKESA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C)C(=O)[O-] ZINC000008790316 553146438 /nfs/dbraw/zinc/14/64/38/553146438.db2.gz RZKVDWKVDCRWKM-XBZMYCLCSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008790525 553146633 /nfs/dbraw/zinc/14/66/33/553146633.db2.gz FEFNBLCJYQDJLI-HKUYNNGSSA-N -1 0 507.653 2.783 50 0 biogenic KFAARM COc1ccc2c(C)c(CC(=O)N[C@@H](CCSC)C(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc2c1C ZINC000008790866 553146833 /nfs/dbraw/zinc/14/68/33/553146833.db2.gz UGHSHNPYOMZPQJ-IBGZPJMESA-N -1 0 504.605 2.522 50 0 biogenic KFAARM Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1=O ZINC000008791097 553146769 /nfs/dbraw/zinc/14/67/69/553146769.db2.gz NPOHCHLEKBIPLP-ZCYQVOJMSA-N -1 0 510.550 2.777 50 0 biogenic KFAARM COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1C ZINC000008791244 553147013 /nfs/dbraw/zinc/14/70/13/553147013.db2.gz MQFDATYEZBDMIM-FQEVSTJZSA-N -1 0 512.584 2.580 50 0 biogenic KFAARM COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCCC(=O)[O-])c(=O)oc2c1C ZINC000008791305 553147056 /nfs/dbraw/zinc/14/70/56/553147056.db2.gz UWLDKWHVHYUHHI-QFIPXVFZSA-N -1 0 519.554 2.761 50 0 biogenic KFAARM CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])(c2ccccc2)CC1 ZINC000008791412 553147054 /nfs/dbraw/zinc/14/70/54/553147054.db2.gz YXTBHKSPYVCYMW-VQTJNVASSA-N -1 0 517.648 2.932 50 0 biogenic KFAARM O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000008814359 553151628 /nfs/dbraw/zinc/15/16/28/553151628.db2.gz IAEQZLRIWISSQQ-UHFFFAOYSA-N -1 0 502.969 2.637 50 0 KFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000008815805 553151682 /nfs/dbraw/zinc/15/16/82/553151682.db2.gz XRZWERIDSIJCTQ-UHFFFAOYSA-N -1 0 515.569 2.588 50 0 KFAARM CCc1nn2c(nc([O-])c(C(c3ccc(Cl)cc3)c3c(O)nc4sc(CC)nn4c3=O)c2=O)s1 ZINC000008816657 553152139 /nfs/dbraw/zinc/15/21/39/553152139.db2.gz ZYKXKTNLXASEHR-UHFFFAOYSA-N -1 0 516.992 2.985 50 0 KFAARM CS(=O)(=O)[N-]c1nnc(SCC(=O)Nc2ncc(Br)cc2Br)s1 ZINC000008857458 553168013 /nfs/dbraw/zinc/16/80/13/553168013.db2.gz RWINEFATGUQHJO-UHFFFAOYSA-N -1 0 503.223 2.560 50 0 KFAARM CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)NCC(=O)[O-] ZINC000008876228 553175085 /nfs/dbraw/zinc/17/50/85/553175085.db2.gz KIHGNYKAORLQHF-GOSISDBHSA-N -1 0 500.573 2.708 50 0 biogenic KFAARM CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000008876593 553175367 /nfs/dbraw/zinc/17/53/67/553175367.db2.gz FTEVFWCCRZCTJD-HULNYRCFSA-N -1 0 509.628 2.988 50 0 biogenic KFAARM CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000008876596 553175326 /nfs/dbraw/zinc/17/53/26/553175326.db2.gz FTEVFWCCRZCTJD-UPUUWEMXSA-N -1 0 509.628 2.988 50 0 biogenic KFAARM CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000008917810 553187161 /nfs/dbraw/zinc/18/71/61/553187161.db2.gz KWGQUMHGCOUMAP-PMACEKPBSA-N -1 0 507.653 2.684 50 0 biogenic KFAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000008917994 553187295 /nfs/dbraw/zinc/18/72/95/553187295.db2.gz CRHNACJTEUDXNS-VXKWHMMOSA-N -1 0 512.607 2.918 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000008918094 553187597 /nfs/dbraw/zinc/18/75/97/553187597.db2.gz CSUKDYZETKBOHS-VXKWHMMOSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)NCC3CCC(C(=O)[O-])CC3)CC2)C(C)C)cc1 ZINC000008918116 553187575 /nfs/dbraw/zinc/18/75/75/553187575.db2.gz UPMBWOOGCYONLX-IRSIHTCSSA-N -1 0 521.680 2.544 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000008918184 553187789 /nfs/dbraw/zinc/18/77/89/553187789.db2.gz FRGRGMDEPLMNPV-SFTDATJTSA-N -1 0 505.612 2.682 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000008918381 553187989 /nfs/dbraw/zinc/18/79/89/553187989.db2.gz PTQHESDZOGJFKJ-NYVOZVTQSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000008918396 553187980 /nfs/dbraw/zinc/18/79/80/553187980.db2.gz YNDKQUXJGMQFSF-UGKGYDQZSA-N -1 0 521.680 2.830 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CC1)C(=O)[O-] ZINC000008918412 553188315 /nfs/dbraw/zinc/18/83/15/553188315.db2.gz AFRSLTBASRDXLU-GPHNJDIKSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CCCCC[C@@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)[O-] ZINC000008918433 553188314 /nfs/dbraw/zinc/18/83/14/553188314.db2.gz YXBGUENLKYUKCB-YADHBBJMSA-N -1 0 509.669 2.686 50 0 biogenic KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@H]2SC1 ZINC000008927957 553192350 /nfs/dbraw/zinc/19/23/50/553192350.db2.gz CFYQMHLNBLPBJT-PGRDOPGGSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@H]2SC1 ZINC000008927959 553192392 /nfs/dbraw/zinc/19/23/92/553192392.db2.gz CFYQMHLNBLPBJT-XMSQKQJNSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@@H]2SC1 ZINC000008927961 553192331 /nfs/dbraw/zinc/19/23/31/553192331.db2.gz CFYQMHLNBLPBJT-AVRDEDQJSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@@H]2SC1 ZINC000008927962 553192378 /nfs/dbraw/zinc/19/23/78/553192378.db2.gz CFYQMHLNBLPBJT-GCJKJVERSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@H]2SC1 ZINC000008927984 553192359 /nfs/dbraw/zinc/19/23/59/553192359.db2.gz YNXTZYIYTKKIAZ-HTAPYJJXSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@H]2SC1 ZINC000008927985 553192395 /nfs/dbraw/zinc/19/23/95/553192395.db2.gz YNXTZYIYTKKIAZ-VGOFRKELSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@@H]2SC1 ZINC000008927987 553192384 /nfs/dbraw/zinc/19/23/84/553192384.db2.gz YNXTZYIYTKKIAZ-JTSKRJEESA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@@H]2SC1 ZINC000008927989 553192419 /nfs/dbraw/zinc/19/24/19/553192419.db2.gz YNXTZYIYTKKIAZ-VGSWGCGISA-N -1 0 520.947 2.736 50 0 KFAARM CCOC(=O)[C@](O)(c1ccc(OC)c([N-][C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000008934156 553192665 /nfs/dbraw/zinc/19/26/65/553192665.db2.gz MWMVTQIFILMRRN-MSOLQXFVSA-N -1 0 518.407 2.768 50 0 KFAARM CCOC(=O)[C@](O)(c1ccc(OC)c([N-][C@@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000008934157 553192604 /nfs/dbraw/zinc/19/26/04/553192604.db2.gz MWMVTQIFILMRRN-QZTJIDSGSA-N -1 0 518.407 2.768 50 0 KFAARM CCOC(=O)[C@@](O)(c1ccc(OC)c([N-][C@](NC(=O)CC)(C(=O)OCC)C(F)(F)F)c1)C(F)(F)F ZINC000008934591 553192863 /nfs/dbraw/zinc/19/28/63/553192863.db2.gz MWMVTQIFILMRRN-ROUUACIJSA-N -1 0 518.407 2.768 50 0 KFAARM CCOC(=O)[C@@]([N-]c1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)(NC(=O)CC)C(F)(F)F ZINC000008934592 553192879 /nfs/dbraw/zinc/19/28/79/553192879.db2.gz MWMVTQIFILMRRN-ZWKOTPCHSA-N -1 0 518.407 2.768 50 0 KFAARM CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@]4(OC(C)=O)C[C@@H](OC(C)=O)CC[C@]4(C(=O)[O-])[C@@H]3CC[C@]12C ZINC000008951958 553193818 /nfs/dbraw/zinc/19/38/18/553193818.db2.gz GADAHPHEPRHMOO-VVLBMDPMSA-N -1 0 522.591 2.575 50 0 biogenic KFAARM CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@]4(OC(C)=O)C[C@@H](OC(C)=O)CC[C@]4(C(=O)[O-])[C@H]3CC[C@]12C ZINC000008951959 553193771 /nfs/dbraw/zinc/19/37/71/553193771.db2.gz GADAHPHEPRHMOO-FPNNPWCWSA-N -1 0 522.591 2.575 50 0 biogenic KFAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)[O-])CC2)CC1 ZINC000008952602 553194272 /nfs/dbraw/zinc/19/42/72/553194272.db2.gz YZRKUTTYVWZOQF-OZMAMDIPSA-N -1 0 535.707 2.934 50 0 biogenic KFAARM O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C(=O)N1CCc1ccccc1 ZINC000009109334 553209918 /nfs/dbraw/zinc/20/99/18/553209918.db2.gz ROBDMYVWVHBFNT-AYWVHJORSA-N -1 0 519.561 2.662 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc2)n1 ZINC000009111051 553210384 /nfs/dbraw/zinc/21/03/84/553210384.db2.gz CVCYYFHJWGQOQG-ZWKOTPCHSA-N -1 0 510.645 2.872 50 0 KFAARM O=C1[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C(=O)N1CCc1ccccc1 ZINC000009123859 553212617 /nfs/dbraw/zinc/21/26/17/553212617.db2.gz ROBDMYVWVHBFNT-HLADLETHSA-N -1 0 519.561 2.662 50 0 KFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc2)s1 ZINC000009158205 553214953 /nfs/dbraw/zinc/21/49/53/553214953.db2.gz GPHLENMXGCVMEY-LSDHHAIUSA-N -1 0 516.674 2.879 50 0 KFAARM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000009159501 553215287 /nfs/dbraw/zinc/21/52/87/553215287.db2.gz IIKCMKCRKPOKIY-PMACEKPBSA-N -1 0 507.653 2.684 50 0 KFAARM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)[O-] ZINC000009235301 553225143 /nfs/dbraw/zinc/22/51/43/553225143.db2.gz IAMLXBWCDNXKHZ-UFWORHAWSA-N -1 0 500.485 2.952 50 0 KFAARM Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c([N-]S(=O)(=O)c3ccc(Br)s3)cc21 ZINC000009686024 553297392 /nfs/dbraw/zinc/29/73/92/553297392.db2.gz KATFZHBXRNIVSU-UHFFFAOYSA-N -1 0 513.439 2.852 50 0 KFAARM CCOc1cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)cc(OCC)c1OCC ZINC000009721068 553301145 /nfs/dbraw/zinc/30/11/45/553301145.db2.gz AEUSUHGZTHAFNQ-UHFFFAOYSA-N -1 0 509.606 2.834 50 0 KFAARM COc1ccc(N(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])S(=O)(=O)c2c(C)noc2C)cc1 ZINC000009723538 553301323 /nfs/dbraw/zinc/30/13/23/553301323.db2.gz FKBILSOQVGGSHC-UHFFFAOYSA-N -1 0 519.532 2.849 50 0 KFAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Br)c1OCC(N)=O ZINC000009892673 553315118 /nfs/dbraw/zinc/31/51/18/553315118.db2.gz DULXQIGDINZYMC-UHFFFAOYSA-N -1 0 508.369 2.859 50 0 KFAARM CCOc1ccc([C@H]2NC(=O)N[C@@H](c3ccc(OCC)c(OC)c3)C23C(=O)[N-]C(=O)NC3=O)cc1OC ZINC000009941888 553319521 /nfs/dbraw/zinc/31/95/21/553319521.db2.gz MECXEGMYNSCCPC-BGYRXZFFSA-N -1 0 512.519 2.789 50 0 KFAARM COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1 ZINC000009970070 553322576 /nfs/dbraw/zinc/32/25/76/553322576.db2.gz MHJPQGSZQXPTHD-UHFFFAOYSA-N -1 0 503.621 2.755 50 0 KFAARM O=C(CCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000011866880 553347093 /nfs/dbraw/zinc/34/70/93/553347093.db2.gz GAVKHDATXNVEDL-QHCPKHFHSA-N -1 0 506.555 2.759 50 0 KFAARM CSCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)NCCCC(=O)[O-] ZINC000011866884 553347125 /nfs/dbraw/zinc/34/71/25/553347125.db2.gz KCQIVKQDDMAZTL-IBGZPJMESA-N -1 0 504.605 2.578 50 0 KFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(=O)NCC(=O)[O-])c3ccc(OC)c(OC)c3)c(=O)oc2c1C ZINC000011867539 553348103 /nfs/dbraw/zinc/34/81/03/553348103.db2.gz HRPQDVLMESEMGF-FQEVSTJZSA-N -1 0 540.569 2.817 50 0 biogenic KFAARM COc1ccc2c(C)c(CCC(=O)N[C@H](CC(=O)NCC(=O)[O-])c3ccc(OC)c(OC)c3)c(=O)oc2c1C ZINC000011867540 553348086 /nfs/dbraw/zinc/34/80/86/553348086.db2.gz HRPQDVLMESEMGF-HXUWFJFHSA-N -1 0 540.569 2.817 50 0 biogenic KFAARM COc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)n2)cc1 ZINC000011913898 553349298 /nfs/dbraw/zinc/34/92/98/553349298.db2.gz KCGMWJMBNRQTTL-UHFFFAOYSA-N -1 0 506.544 2.701 50 0 KFAARM COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@@H](C)C(=O)[O-])cc(OC)c1OC ZINC000012381002 553362106 /nfs/dbraw/zinc/36/21/06/553362106.db2.gz QAHOYLGIIXKZCY-RGZVIEDOSA-N -1 0 507.337 2.835 50 0 biogenic KFAARM COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@H](C)C(=O)[O-])cc(OC)c1OC ZINC000012381003 553362099 /nfs/dbraw/zinc/36/20/99/553362099.db2.gz QAHOYLGIIXKZCY-GFQQVXNGSA-N -1 0 507.337 2.835 50 0 biogenic KFAARM COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H](C(=O)[O-])C(C)C)c(OC)c1 ZINC000012381992 553362067 /nfs/dbraw/zinc/36/20/67/553362067.db2.gz AKDLJBVWDAVNMJ-RJSQPESZSA-N -1 0 516.547 2.726 50 0 biogenic KFAARM COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(OC)c1 ZINC000012381994 553362134 /nfs/dbraw/zinc/36/21/34/553362134.db2.gz AKDLJBVWDAVNMJ-HPBYZVIZSA-N -1 0 516.547 2.726 50 0 biogenic KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)Oc3ccc(C)cc3)cc2)nc(OC)n1 ZINC000012404005 553362892 /nfs/dbraw/zinc/36/28/92/553362892.db2.gz IKVQSMAWFUFPOX-UHFFFAOYSA-N -1 0 500.533 2.927 50 0 KFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)cc2)s1 ZINC000012413628 553364519 /nfs/dbraw/zinc/36/45/19/553364519.db2.gz NVHUWGNLGDBGCT-UHFFFAOYSA-N -1 0 511.632 2.616 50 0 KFAARM COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCC(=O)[O-] ZINC000012418879 553365695 /nfs/dbraw/zinc/36/56/95/553365695.db2.gz LCRZFCKYMUYIFF-NVNXTCNLSA-N -1 0 508.293 2.534 50 0 KFAARM CN(C)P(=NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)(c1ccncc1)N(C)C ZINC000012490957 553380519 /nfs/dbraw/zinc/38/05/19/553380519.db2.gz SNFZCXHGCQXRDL-UHFFFAOYSA-N -1 0 504.582 2.849 50 0 KFAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000012531290 553386211 /nfs/dbraw/zinc/38/62/11/553386211.db2.gz YDJZMDYVWFYNGA-UHFFFAOYSA-N -1 0 522.649 2.902 50 0 KFAARM COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012551792 553393237 /nfs/dbraw/zinc/39/32/37/553393237.db2.gz IFHWWEYXARIGQY-RTBURBONSA-N -1 0 501.536 2.915 50 0 KFAARM O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012563004 553395354 /nfs/dbraw/zinc/39/53/54/553395354.db2.gz FNQNVQSZSCHVME-UHFFFAOYSA-N -1 0 519.576 2.900 50 0 KFAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000012566163 553397020 /nfs/dbraw/zinc/39/70/20/553397020.db2.gz TZVOSEYXVDTLJW-UHFFFAOYSA-N -1 0 505.412 2.670 50 0 KFAARM CCOC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)CC ZINC000012575725 553398639 /nfs/dbraw/zinc/39/86/39/553398639.db2.gz DLWTZBITPOXGKR-LLVKDONJSA-N -1 0 517.101 2.602 50 0 KFAARM CCOC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)CC ZINC000012575730 553398631 /nfs/dbraw/zinc/39/86/31/553398631.db2.gz DLWTZBITPOXGKR-NSHDSACASA-N -1 0 517.101 2.602 50 0 KFAARM COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012586607 553399638 /nfs/dbraw/zinc/39/96/38/553399638.db2.gz ZLHVFVGUPCFBLT-UHFFFAOYSA-N -1 0 503.558 2.760 50 0 KFAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)c2)cc1Cl ZINC000012599514 553400838 /nfs/dbraw/zinc/40/08/38/553400838.db2.gz GMFLEMKYMORRBK-HNNXBMFYSA-N -1 0 512.968 2.610 50 0 KFAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)NC[C@H]3CCCO3)c2)cc1Cl ZINC000012599517 553400852 /nfs/dbraw/zinc/40/08/52/553400852.db2.gz GMFLEMKYMORRBK-OAHLLOKOSA-N -1 0 512.968 2.610 50 0 KFAARM O=C([O-])c1nn(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(=O)c2ccccc21 ZINC000012600748 553401647 /nfs/dbraw/zinc/40/16/47/553401647.db2.gz HYOXFQOAUCXLIS-UHFFFAOYSA-N -1 0 504.952 2.561 50 0 KFAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000012625689 553404962 /nfs/dbraw/zinc/40/49/62/553404962.db2.gz CFGSOCJHQYYJDU-UHFFFAOYSA-N -1 0 519.439 2.978 50 0 KFAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000012863836 553423304 /nfs/dbraw/zinc/42/33/04/553423304.db2.gz PQYVBAQOKOZGBD-VXKWHMMOSA-N -1 0 512.607 2.918 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000012865063 553423250 /nfs/dbraw/zinc/42/32/50/553423250.db2.gz SHFUECUZXIUHFD-YGOYIFOWSA-N -1 0 529.659 2.869 50 0 biogenic KFAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000012865069 553423259 /nfs/dbraw/zinc/42/32/59/553423259.db2.gz SHFUECUZXIUHFD-IGKWTDBASA-N -1 0 529.659 2.869 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000012866106 553423465 /nfs/dbraw/zinc/42/34/65/553423465.db2.gz PTQHESDZOGJFKJ-COPCDDAFSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000012866206 553423496 /nfs/dbraw/zinc/42/34/96/553423496.db2.gz YNDKQUXJGMQFSF-KNQAVFIVSA-N -1 0 521.680 2.830 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000012866269 553423475 /nfs/dbraw/zinc/42/34/75/553423475.db2.gz ADAAQRSCRWGURL-ZEQRLZLVSA-N -1 0 529.659 2.869 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CC1)C(=O)[O-] ZINC000012866284 553423509 /nfs/dbraw/zinc/42/35/09/553423509.db2.gz AFRSLTBASRDXLU-UDKICSLYSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)CC)CC1)C(=O)[O-] ZINC000012866293 553423503 /nfs/dbraw/zinc/42/35/03/553423503.db2.gz AFRSLTBASRDXLU-UBBRYJJRSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)CC1 ZINC000012866302 553423499 /nfs/dbraw/zinc/42/34/99/553423499.db2.gz AFRSLTBASRDXLU-KSCDAYEDSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM CSC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000012866456 553423507 /nfs/dbraw/zinc/42/35/07/553423507.db2.gz GUNUYMOMONLIRV-SFTDATJTSA-N -1 0 532.663 2.775 50 0 biogenic KFAARM CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1)C(=O)[O-] ZINC000012866578 553423636 /nfs/dbraw/zinc/42/36/36/553423636.db2.gz YXBGUENLKYUKCB-VXKWHMMOSA-N -1 0 509.669 2.686 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000012867184 553423805 /nfs/dbraw/zinc/42/38/05/553423805.db2.gz OILYMYSHZKRJNK-CZAAIQMYSA-N -1 0 505.612 2.682 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000012867188 553423867 /nfs/dbraw/zinc/42/38/67/553423867.db2.gz OILYMYSHZKRJNK-NDXORKPFSA-N -1 0 505.612 2.682 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)[O-])CC2)CC1 ZINC000012870717 553424022 /nfs/dbraw/zinc/42/40/22/553424022.db2.gz YZRKUTTYVWZOQF-WGYUTPKQSA-N -1 0 535.707 2.934 50 0 biogenic KFAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000012874384 553424543 /nfs/dbraw/zinc/42/45/43/553424543.db2.gz MRIOEORREGDNCX-NYVOZVTQSA-N -1 0 509.669 2.542 50 0 biogenic KFAARM COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)NCCC(=O)[O-])c(=O)oc2c1C ZINC000012881303 553425428 /nfs/dbraw/zinc/42/54/28/553425428.db2.gz ZOOOEWBQRVYCKA-FQEVSTJZSA-N -1 0 514.962 2.933 50 0 biogenic KFAARM COc1ccc2c(C)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)NCCC(=O)[O-])c(=O)oc2c1C ZINC000012881312 553425446 /nfs/dbraw/zinc/42/54/46/553425446.db2.gz ZOOOEWBQRVYCKA-HXUWFJFHSA-N -1 0 514.962 2.933 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C)C(=O)[O-] ZINC000012884204 553425965 /nfs/dbraw/zinc/42/59/65/553425965.db2.gz WBMOUMRUWNKLGQ-MRSCZXMFSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C)C(=O)[O-] ZINC000012884212 553426015 /nfs/dbraw/zinc/42/60/15/553426015.db2.gz WBMOUMRUWNKLGQ-WQHHBQTKSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C)C(=O)[O-] ZINC000012884218 553425997 /nfs/dbraw/zinc/42/59/97/553425997.db2.gz WBMOUMRUWNKLGQ-LUNJZBBXSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C)C(=O)[O-] ZINC000012884220 553425972 /nfs/dbraw/zinc/42/59/72/553425972.db2.gz WBMOUMRUWNKLGQ-LQQCPCOJSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012886400 553426146 /nfs/dbraw/zinc/42/61/46/553426146.db2.gz WBMOUMRUWNKLGQ-KJKHYIFSSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012886407 553426209 /nfs/dbraw/zinc/42/62/09/553426209.db2.gz WBMOUMRUWNKLGQ-FFECOYDQSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012886415 553426201 /nfs/dbraw/zinc/42/62/01/553426201.db2.gz WBMOUMRUWNKLGQ-KZLNDFDWSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C)C(=O)[O-] ZINC000012886420 553426211 /nfs/dbraw/zinc/42/62/11/553426211.db2.gz WBMOUMRUWNKLGQ-IMQALNIVSA-N -1 0 502.571 2.758 50 0 biogenic KFAARM COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(=O)NCC(=O)[O-])c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000012902123 553426708 /nfs/dbraw/zinc/42/67/08/553426708.db2.gz BZKIBYKOHHLDEW-FQEVSTJZSA-N -1 0 526.542 2.508 50 0 biogenic KFAARM COc1ccc2c(C)c(CCC(=O)N[C@H](CC(=O)NCC(=O)[O-])c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000012902128 553426754 /nfs/dbraw/zinc/42/67/54/553426754.db2.gz BZKIBYKOHHLDEW-HXUWFJFHSA-N -1 0 526.542 2.508 50 0 biogenic KFAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCCCN3CCOCC3)ccc2C)cc1Cl ZINC000012931757 553427682 /nfs/dbraw/zinc/42/76/82/553427682.db2.gz AKCNURSHJITVPI-UHFFFAOYSA-N -1 0 512.028 2.919 50 0 KFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013026716 553436336 /nfs/dbraw/zinc/43/63/36/553436336.db2.gz VUFSXVXUBFODJJ-UHFFFAOYSA-N -1 0 513.557 2.601 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccccc3)cc2)nc(OC)n1 ZINC000013081291 553445230 /nfs/dbraw/zinc/44/52/30/553445230.db2.gz DTNLRVDFLJHLOR-UHFFFAOYSA-N -1 0 501.590 2.740 50 0 KFAARM COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2=O)c(OC)c1 ZINC000013115859 553448980 /nfs/dbraw/zinc/44/89/80/553448980.db2.gz XPLPIGIYKWQDHI-AWEZNQCLSA-N -1 0 502.574 2.953 50 0 KFAARM COc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2=O)c(OC)c1 ZINC000013115860 553448949 /nfs/dbraw/zinc/44/89/49/553448949.db2.gz XPLPIGIYKWQDHI-CQSZACIVSA-N -1 0 502.574 2.953 50 0 KFAARM COc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000013129859 553450978 /nfs/dbraw/zinc/45/09/78/553450978.db2.gz BALYITBDQNMYNW-UHFFFAOYSA-N -1 0 509.537 2.543 50 0 KFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)ccc1Cl ZINC000013134658 553452274 /nfs/dbraw/zinc/45/22/74/553452274.db2.gz OYNWWABBSONHLE-UHFFFAOYSA-N -1 0 514.947 2.791 50 0 KFAARM CCCCn1c2ccc(S(N)(=O)=O)cc2nc1SCC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000013135794 553452817 /nfs/dbraw/zinc/45/28/17/553452817.db2.gz NGTZBUZVRWFQSM-UHFFFAOYSA-N -1 0 506.606 2.599 50 0 KFAARM COc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000013141208 553454378 /nfs/dbraw/zinc/45/43/78/553454378.db2.gz IQQDDYFOWLNWKS-UHFFFAOYSA-N -1 0 514.947 2.791 50 0 KFAARM O=C(c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)N1CCN(c2ncccn2)CC1 ZINC000013144849 553454561 /nfs/dbraw/zinc/45/45/61/553454561.db2.gz OWUCVGRASIHDDF-UHFFFAOYSA-N -1 0 502.556 2.588 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 ZINC000013154453 553456888 /nfs/dbraw/zinc/45/68/88/553456888.db2.gz XSQDEOJNULNBPG-GSERBOKHSA-N -1 0 512.971 2.915 50 0 KFAARM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 ZINC000013154454 553456925 /nfs/dbraw/zinc/45/69/25/553456925.db2.gz XSQDEOJNULNBPG-PSXBWXLBSA-N -1 0 512.971 2.915 50 0 KFAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cc1 ZINC000013525059 553468742 /nfs/dbraw/zinc/46/87/42/553468742.db2.gz QISGPFNBOQWZFF-UHFFFAOYSA-N -1 0 525.649 2.753 50 0 KFAARM COc1cc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2C(C)=O)cc(OC)c1OC ZINC000013576419 553475100 /nfs/dbraw/zinc/47/51/00/553475100.db2.gz PEKDVDZCFYUPOK-XUMLYMLNSA-N -1 0 514.922 2.701 50 0 KFAARM O=C1[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1Cl ZINC000013811673 553492698 /nfs/dbraw/zinc/49/26/98/553492698.db2.gz ZQLAGGCXZCOZRF-BCHFMIIMSA-N -1 0 505.962 2.918 50 0 KFAARM CCOc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000013881886 553494181 /nfs/dbraw/zinc/49/41/81/553494181.db2.gz RNRBBMXZDINAJS-IWGBCORSSA-N -1 0 510.543 2.837 50 0 KFAARM C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F ZINC000014191207 553506404 /nfs/dbraw/zinc/50/64/04/553506404.db2.gz SCVHJVCATBPIHN-SJCJKPOMSA-N -1 0 569.508 2.591 50 0 investigational KFAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000014360592 553514206 /nfs/dbraw/zinc/51/42/06/553514206.db2.gz SRDDVFAOWGKGPP-UHFFFAOYSA-N -1 0 502.014 2.931 50 0 KFAARM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000015721189 553534707 /nfs/dbraw/zinc/53/47/07/553534707.db2.gz GYBXWOPENJVQKE-UFYCRDLUSA-N -1 0 509.669 2.976 50 0 in-vitro KFAARM COc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C)c(C)c1C ZINC000015721610 553534684 /nfs/dbraw/zinc/53/46/84/553534684.db2.gz CCQFOFXVPZPGDN-INIZCTEOSA-N -1 0 500.618 2.523 50 0 KFAARM CCC(=O)Oc1c(OC)cc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(=O)CC)cc1OC ZINC000015834882 553537199 /nfs/dbraw/zinc/53/71/99/553537199.db2.gz NARWRXQHZWJIIB-AWEZNQCLSA-N -1 0 504.565 2.579 50 0 KFAARM CCC(=O)Oc1c(OC)cc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(=O)CC)cc1OC ZINC000015834885 553537168 /nfs/dbraw/zinc/53/71/68/553537168.db2.gz NARWRXQHZWJIIB-CQSZACIVSA-N -1 0 504.565 2.579 50 0 KFAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCCCN4CCOCC4)cc3)c(=O)c2cc1OCC ZINC000015936781 553543069 /nfs/dbraw/zinc/54/30/69/553543069.db2.gz DBDNXLOVXNUXRP-UHFFFAOYSA-N -1 0 526.659 2.983 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@@H]2SC1 ZINC000015947422 553545379 /nfs/dbraw/zinc/54/53/79/553545379.db2.gz CDTUWTAKKZRSFM-AVRDEDQJSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@H]2SC1 ZINC000015947424 553545376 /nfs/dbraw/zinc/54/53/76/553545376.db2.gz CDTUWTAKKZRSFM-PGRDOPGGSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@@H]2SC1 ZINC000015947426 553545342 /nfs/dbraw/zinc/54/53/42/553545342.db2.gz CDTUWTAKKZRSFM-GCJKJVERSA-N -1 0 520.947 2.736 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@H]2SC1 ZINC000015947428 553545377 /nfs/dbraw/zinc/54/53/77/553545377.db2.gz CDTUWTAKKZRSFM-XMSQKQJNSA-N -1 0 520.947 2.736 50 0 KFAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000015968818 553547386 /nfs/dbraw/zinc/54/73/86/553547386.db2.gz VWUWNUTZUMIYFS-KNAFXUBQSA-N -1 0 514.582 2.854 50 0 biogenic KFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)s1 ZINC000015996675 553549570 /nfs/dbraw/zinc/54/95/70/553549570.db2.gz GPHLENMXGCVMEY-CABCVRRESA-N -1 0 516.674 2.879 50 0 KFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1I ZINC000016226937 553557202 /nfs/dbraw/zinc/55/72/02/553557202.db2.gz FHEQPPMGBJRIEL-UHFFFAOYSA-N -1 0 502.330 2.573 50 0 KFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccnc4)n3C)cc2)nc(C)n1 ZINC000016755654 553581020 /nfs/dbraw/zinc/58/10/20/553581020.db2.gz USIWLZJCFVWCSF-UHFFFAOYSA-N -1 0 510.605 2.816 50 0 KFAARM O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1Cl ZINC000016975324 553585848 /nfs/dbraw/zinc/58/58/48/553585848.db2.gz ZQLAGGCXZCOZRF-NIYFSFCBSA-N -1 0 505.962 2.918 50 0 KFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccn(OCc2cccc(Cl)c2)c1=O ZINC000017149961 553589327 /nfs/dbraw/zinc/58/93/27/553589327.db2.gz FWHPPZVLVKTXAJ-UHFFFAOYSA-N -1 0 511.947 2.974 50 0 KFAARM C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@]1(C)[C@@H](O)C[C@@H]1[C@]2(O)CC[C@@H]2C[C@H](O)CC[C@@]21C ZINC000017185292 553590072 /nfs/dbraw/zinc/59/00/72/553590072.db2.gz QZTRRTOMKSKXLP-HFFVWMIESA-N -1 0 515.713 2.512 50 0 KFAARM CCOC(=O)N[C@](Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)(C(=O)OCC)C(F)(F)F ZINC000017258211 553591877 /nfs/dbraw/zinc/59/18/77/553591877.db2.gz KGIPRPGSWXIOOJ-LJQANCHMSA-N -1 0 519.502 2.874 50 0 KFAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)C[C@H](C)O1 ZINC000017297556 553592581 /nfs/dbraw/zinc/59/25/81/553592581.db2.gz PKWFKENMIFCALF-IYBDPMFKSA-N -1 0 536.657 2.994 50 0 KFAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@@H]3SC2)s1 ZINC000017356883 553593895 /nfs/dbraw/zinc/59/38/95/553593895.db2.gz UAHYTULENJCXQX-LRDDRELGSA-N -1 0 518.976 2.923 50 0 KFAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@H]3SC2)s1 ZINC000017356885 553593887 /nfs/dbraw/zinc/59/38/87/553593887.db2.gz UAHYTULENJCXQX-BLLLJJGKSA-N -1 0 518.976 2.923 50 0 KFAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@@H]3SC2)s1 ZINC000017356887 553593891 /nfs/dbraw/zinc/59/38/91/553593891.db2.gz UAHYTULENJCXQX-WBMJQRKESA-N -1 0 518.976 2.923 50 0 KFAARM Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4cc(F)c(F)cc4Cl)[C@H]3SC2)s1 ZINC000017356890 553593907 /nfs/dbraw/zinc/59/39/07/553593907.db2.gz UAHYTULENJCXQX-MLGOLLRUSA-N -1 0 518.976 2.923 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)n1 ZINC000017413757 553595454 /nfs/dbraw/zinc/59/54/54/553595454.db2.gz KWZCBRQTRBKUHH-KDURUIRLSA-N -1 0 559.670 2.944 50 0 KFAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@@H]3CCCO3)ccc2OC)cc1Cl ZINC000017527721 553597348 /nfs/dbraw/zinc/59/73/48/553597348.db2.gz LSBHMVUGUAWAEC-HNNXBMFYSA-N -1 0 542.994 2.619 50 0 KFAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)NC[C@H]3CCCO3)ccc2OC)cc1Cl ZINC000017527723 553597461 /nfs/dbraw/zinc/59/74/61/553597461.db2.gz LSBHMVUGUAWAEC-OAHLLOKOSA-N -1 0 542.994 2.619 50 0 KFAARM CCCCOC(=O)c1ccc(NC(=S)N2CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC2)cc1 ZINC000017527799 553597473 /nfs/dbraw/zinc/59/74/73/553597473.db2.gz SIMQJIGLMBBZDE-UHFFFAOYSA-N -1 0 538.630 2.986 50 0 KFAARM O=C(COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)N1CCN(C(=O)c2ccco2)CC1 ZINC000017546303 553597640 /nfs/dbraw/zinc/59/76/40/553597640.db2.gz QYHCPTYSUXXVHP-UHFFFAOYSA-N -1 0 547.973 2.581 50 0 KFAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000018115684 553604740 /nfs/dbraw/zinc/60/47/40/553604740.db2.gz QYWDUJSTZZVDAU-VYENPZKTSA-N -1 0 501.333 2.802 50 0 KFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)cc2)n1 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KFAARM Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CCN(CC(=O)NC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000033256380 553915541 /nfs/dbraw/zinc/91/55/41/553915541.db2.gz SQXMVUNZOLRVSS-UHFFFAOYSA-N -1 0 525.631 2.689 50 0 KFAARM CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccccc4C)ccc3n2)CC1 ZINC000033256381 553915616 /nfs/dbraw/zinc/91/56/16/553915616.db2.gz QMSABPNKKAOGFN-UHFFFAOYSA-N -1 0 525.631 2.690 50 0 KFAARM CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4cccc(C)c4)ccc3n2)CC1 ZINC000033256395 553915653 /nfs/dbraw/zinc/91/56/53/553915653.db2.gz IGJXYONICWRXFU-UHFFFAOYSA-N -1 0 525.631 2.690 50 0 KFAARM COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000033266229 553916918 /nfs/dbraw/zinc/91/69/18/553916918.db2.gz IBYWIOLESRQPNK-UHFFFAOYSA-N -1 0 510.572 2.578 50 0 KFAARM CCOC(=O)[C@@](NC(=O)c1ccco1)(Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1)C(F)(F)F ZINC000033353735 553926759 /nfs/dbraw/zinc/92/67/59/553926759.db2.gz KEHMXWYHCSUOJI-NRFANRHFSA-N -1 0 573.506 2.551 50 0 KFAARM CCOC(=O)[C@](NC(=O)c1ccco1)(Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1)C(F)(F)F ZINC000033353740 553926793 /nfs/dbraw/zinc/92/67/93/553926793.db2.gz KEHMXWYHCSUOJI-OAQYLSRUSA-N -1 0 573.506 2.551 50 0 KFAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1 ZINC000033355591 553935757 /nfs/dbraw/zinc/93/57/57/553935757.db2.gz BDWHKJJCPOXAQI-UHFFFAOYSA-N -1 0 536.640 2.505 50 0 KFAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4c5ccccc5n(C)c4n3)cc2)nc(OC)n1 ZINC000033355631 553935704 /nfs/dbraw/zinc/93/57/04/553935704.db2.gz KIASWUDTABZYIN-UHFFFAOYSA-N -1 0 566.625 2.855 50 0 KFAARM CCOC(CNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@H](C)CC4)CC1)OCC ZINC000033356625 553943108 /nfs/dbraw/zinc/94/31/08/553943108.db2.gz CQRPBGVRAORAOI-QGZVFWFLSA-N -1 0 547.674 2.974 50 0 KFAARM CCOC(CNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@@H](C)CC4)CC1)OCC ZINC000033356627 553943070 /nfs/dbraw/zinc/94/30/70/553943070.db2.gz CQRPBGVRAORAOI-KRWDZBQOSA-N -1 0 547.674 2.974 50 0 KFAARM O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1ccc2c(c1)OCO2 ZINC000033356654 553943398 /nfs/dbraw/zinc/94/33/98/553943398.db2.gz PHEVLGWMUODAPY-UHFFFAOYSA-N -1 0 524.374 2.825 50 0 KFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000033694678 553968424 /nfs/dbraw/zinc/96/84/24/553968424.db2.gz RBSCSKKTKHYGAI-UHFFFAOYSA-N -1 0 512.496 2.572 50 0 KFAARM O=C(CN1CCN(C(=O)CCc2nnc(-c3ccc(OCc4ccccc4)cc3)[n-]c2=O)CC1)N1CCCC1 ZINC000034762670 554002241 /nfs/dbraw/zinc/00/22/41/554002241.db2.gz CDCLWDDPQRTKNE-UHFFFAOYSA-N -1 0 530.629 2.522 50 0 KFAARM COCCN1CCN(C(=O)CCc2nnc(-c3ccc(OCc4cccc(F)c4)c(OC)c3)[n-]c2=O)CC1 ZINC000034766703 554002885 /nfs/dbraw/zinc/00/28/85/554002885.db2.gz ACCIYUHOSQMQLM-UHFFFAOYSA-N -1 0 525.581 2.694 50 0 KFAARM CCOCCOc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)[n-]2)cc1OC ZINC000034766920 554002909 /nfs/dbraw/zinc/00/29/09/554002909.db2.gz JRMQBGAXKQHGFY-UHFFFAOYSA-N -1 0 521.618 2.945 50 0 KFAARM COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@H](C)C(=O)[O-])S3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000035072790 554034003 /nfs/dbraw/zinc/03/40/03/554034003.db2.gz WEYOLFCKSUGEQQ-OREJSRFESA-N -1 0 510.572 2.832 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@H](c3ccccc3)NC(=O)N4C)cc2)n1 ZINC000035326611 554043384 /nfs/dbraw/zinc/04/33/84/554043384.db2.gz OMVFTFUNQLVSMM-QFIPXVFZSA-N -1 0 504.572 2.891 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@@H](c3ccccc3)NC(=O)N4C)cc2)n1 ZINC000035326615 554043376 /nfs/dbraw/zinc/04/33/76/554043376.db2.gz OMVFTFUNQLVSMM-JOCHJYFZSA-N -1 0 504.572 2.891 50 0 KFAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000035807385 554076315 /nfs/dbraw/zinc/07/63/15/554076315.db2.gz VWUWNUTZUMIYFS-KELBGUDLSA-N -1 0 514.582 2.854 50 0 biogenic KFAARM CCN1CCN(C2=C(c3c(COC)[n-]n(-c4ccc(Cl)cc4)c3=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000035960923 554108778 /nfs/dbraw/zinc/10/87/78/554108778.db2.gz TUGAUTLHJPNYLK-UHFFFAOYSA-N -1 0 502.015 2.751 50 0 KFAARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000036016235 554135735 /nfs/dbraw/zinc/13/57/35/554135735.db2.gz YAUBAXPFWVRHIF-UHFFFAOYSA-N -1 0 508.918 2.885 50 0 KFAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C1=C(N2CCN(C)CC2)C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000036016265 554135783 /nfs/dbraw/zinc/13/57/83/554135783.db2.gz CCCSDRFVNAQYBV-UHFFFAOYSA-N -1 0 521.961 2.800 50 0 KFAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000038139907 554261702 /nfs/dbraw/zinc/26/17/02/554261702.db2.gz VWUWNUTZUMIYFS-FVEXOFTDSA-N -1 0 514.582 2.854 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000038139987 554262217 /nfs/dbraw/zinc/26/22/17/554262217.db2.gz QSCXVJBYANZUPQ-GSDHBNRESA-N -1 0 588.686 2.524 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000038139990 554262175 /nfs/dbraw/zinc/26/21/75/554262175.db2.gz BSVJWNAVNNNGFO-WXESENMXSA-N -1 0 580.707 2.719 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000038140293 554262888 /nfs/dbraw/zinc/26/28/88/554262888.db2.gz WWINRDXLWQQKMF-GMQQYTKMSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000038140336 554263069 /nfs/dbraw/zinc/26/30/69/554263069.db2.gz LVPYCCYRBXQBCX-DQEYMECFSA-N -1 0 543.686 2.739 50 0 biogenic KFAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000038140337 554263077 /nfs/dbraw/zinc/26/30/77/554263077.db2.gz OZSFTISQEJOMNF-GOTSBHOMSA-N -1 0 547.699 2.576 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000038140338 554263292 /nfs/dbraw/zinc/26/32/92/554263292.db2.gz OXRCGFXCJZSTFN-YNJKOYDBSA-N -1 0 543.686 2.739 50 0 KFAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000038140339 554263337 /nfs/dbraw/zinc/26/33/37/554263337.db2.gz OXRCGFXCJZSTFN-OPXMRZJTSA-N -1 0 543.686 2.739 50 0 KFAARM CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-] ZINC000038144918 554266371 /nfs/dbraw/zinc/26/63/71/554266371.db2.gz VJAKAZCKYRUDIB-YLWAJMTFSA-N -1 0 573.683 2.504 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-] ZINC000038144922 554266465 /nfs/dbraw/zinc/26/64/65/554266465.db2.gz VJAKAZCKYRUDIB-RVGSXTLBSA-N -1 0 573.683 2.504 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C)C(=O)[O-] ZINC000038144930 554266388 /nfs/dbraw/zinc/26/63/88/554266388.db2.gz GUZLDXZWVDPPFB-KLRIBQCCSA-N -1 0 573.683 2.504 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000038144946 554266402 /nfs/dbraw/zinc/26/64/02/554266402.db2.gz WKVSFTRPXKAZBK-YNJKOYDBSA-N -1 0 543.686 2.739 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000038144947 554266390 /nfs/dbraw/zinc/26/63/90/554266390.db2.gz WKVSFTRPXKAZBK-OPXMRZJTSA-N -1 0 543.686 2.739 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000038144954 554266418 /nfs/dbraw/zinc/26/64/18/554266418.db2.gz KSXWPIMQTLEEMT-DQEYMECFSA-N -1 0 543.686 2.739 50 0 biogenic KFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCOCC1 ZINC000038145209 554267421 /nfs/dbraw/zinc/26/74/21/554267421.db2.gz REVTWROJVJWDRF-UHFFFAOYSA-N -1 0 574.681 2.835 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4cc(OC)cc(OC)c4)CC3)cc21 ZINC000038152175 554272037 /nfs/dbraw/zinc/27/20/37/554272037.db2.gz ZLGOTEYFWVRMRZ-UHFFFAOYSA-N -1 0 542.589 2.713 50 0 KFAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc(C(=O)OC)c1 ZINC000040450135 554284943 /nfs/dbraw/zinc/28/49/43/554284943.db2.gz XTKQJVIGBXJYTK-UHFFFAOYSA-N -1 0 511.350 2.732 50 0 KFAARM O=C([O-])c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1 ZINC000045364502 554311247 /nfs/dbraw/zinc/31/12/47/554311247.db2.gz ZXONVJJRRBXWDX-UHFFFAOYSA-N -1 0 505.535 2.554 50 0 in-vitro KFAARM COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(N4CCCC4)cc3)c(=O)[n-]2)cc1 ZINC000045922064 554314501 /nfs/dbraw/zinc/31/45/01/554314501.db2.gz QJVYZAGCBWYABV-UHFFFAOYSA-N -1 0 500.602 2.942 50 0 KFAARM COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)cc(OC)c1OC ZINC000045987622 554317284 /nfs/dbraw/zinc/31/72/84/554317284.db2.gz XXIRLLIKXLKPEQ-UHFFFAOYSA-N -1 0 519.601 2.976 50 0 KFAARM CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(=O)[n-]2)cc1 ZINC000046016407 554318769 /nfs/dbraw/zinc/31/87/69/554318769.db2.gz HYLQQQLBVQWOCG-UHFFFAOYSA-N -1 0 503.558 2.519 50 0 KFAARM CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1 ZINC000046016412 554318688 /nfs/dbraw/zinc/31/86/88/554318688.db2.gz DGBQULARAUCLRG-UHFFFAOYSA-N -1 0 505.574 2.749 50 0 KFAARM COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(Cl)cc3)[n-]c2=O)cc1OC ZINC000046016418 554318663 /nfs/dbraw/zinc/31/86/63/554318663.db2.gz JTDKQMKLWZPYIC-UHFFFAOYSA-N -1 0 509.993 2.682 50 0 KFAARM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[n-]c2=O)cc1 ZINC000046016431 554319057 /nfs/dbraw/zinc/31/90/57/554319057.db2.gz YHLPSRRCBHCDDV-UHFFFAOYSA-N -1 0 516.620 2.745 50 0 KFAARM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[n-]c2=O)cc1 ZINC000046016433 554319022 /nfs/dbraw/zinc/31/90/22/554319022.db2.gz CTTZQQYPOYLCJS-UHFFFAOYSA-N -1 0 516.620 2.745 50 0 KFAARM CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)cc3OC)[n-]c2=O)cc1 ZINC000046016438 554319186 /nfs/dbraw/zinc/31/91/86/554319186.db2.gz UJVKEWMDMPVPMA-UHFFFAOYSA-N -1 0 505.574 2.749 50 0 KFAARM CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OCC)cc3)c(=O)[n-]2)cc1 ZINC000046016440 554319089 /nfs/dbraw/zinc/31/90/89/554319089.db2.gz SPVDLBPPAVDBPI-UHFFFAOYSA-N -1 0 517.585 2.909 50 0 KFAARM CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)ccc3OC)[n-]c2=O)cc1 ZINC000046016442 554319162 /nfs/dbraw/zinc/31/91/62/554319162.db2.gz VZPJOACUPMOAFU-UHFFFAOYSA-N -1 0 505.574 2.749 50 0 KFAARM CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(=O)OC)[n-]c2=O)cc1 ZINC000046016444 554319081 /nfs/dbraw/zinc/31/90/81/554319081.db2.gz HOGIYVUUDOWZCV-UHFFFAOYSA-N -1 0 503.558 2.519 50 0 KFAARM CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000046016448 554319126 /nfs/dbraw/zinc/31/91/26/554319126.db2.gz KHTXTFZXVUOELA-UHFFFAOYSA-N -1 0 517.585 2.909 50 0 KFAARM CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(OC)cc(OC)c3)[n-]c2=O)cc1 ZINC000046016452 554319193 /nfs/dbraw/zinc/31/91/93/554319193.db2.gz DHEYVGYGAJOARZ-UHFFFAOYSA-N -1 0 505.574 2.749 50 0 KFAARM NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000052537818 554329816 /nfs/dbraw/zinc/32/98/16/554329816.db2.gz XEPMJHRPEFBZLQ-ZEQRLZLVSA-N -1 0 501.539 2.581 50 0 KFAARM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nnc(CC)s4)cc3)cc2)CC1 ZINC000059522804 554403679 /nfs/dbraw/zinc/40/36/79/554403679.db2.gz MOFUTXUDPQVYCQ-UHFFFAOYSA-N -1 0 608.724 2.616 50 0 KFAARM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc2)CC1 ZINC000059522849 554404058 /nfs/dbraw/zinc/40/40/58/554404058.db2.gz PXBSREJTFTVGAT-UHFFFAOYSA-N -1 0 602.695 2.609 50 0 KFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)c1 ZINC000059617236 554413595 /nfs/dbraw/zinc/41/35/95/554413595.db2.gz WETALZMWQLFTAM-UHFFFAOYSA-N -1 0 548.643 2.756 50 0 KFAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000059620836 554414190 /nfs/dbraw/zinc/41/41/90/554414190.db2.gz OWFWOPWUEGJVFY-UHFFFAOYSA-N -1 0 548.643 2.756 50 0 KFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=S)N=NC3Cn3ncc4ccccc4c3=O)cc2)n1 ZINC000059627214 554415526 /nfs/dbraw/zinc/41/55/26/554415526.db2.gz DCEMCJRRJCGKGF-UHFFFAOYSA-N -1 0 520.600 2.522 50 0 KFAARM COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1 ZINC000059775257 554429042 /nfs/dbraw/zinc/42/90/42/554429042.db2.gz FXDLLTLMMWTBJN-UHFFFAOYSA-N -1 0 594.697 2.962 50 0 KFAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC[S@](C)=O)C(=O)NCCCC(=O)[O-])c(C)c3cc2c1C ZINC000060045024 554497529 /nfs/dbraw/zinc/49/75/29/554497529.db2.gz NZMHFDPVPCTNRZ-JTHIVGNPSA-N -1 0 532.615 2.631 50 0 KFAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC[S@@](C)=O)C(=O)NCCCC(=O)[O-])c(C)c3cc2c1C ZINC000060045027 554497661 /nfs/dbraw/zinc/49/76/61/554497661.db2.gz NZMHFDPVPCTNRZ-LGIDBQEGSA-N -1 0 532.615 2.631 50 0 KFAARM O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063708009 554510383 /nfs/dbraw/zinc/51/03/83/554510383.db2.gz CNQAWZOFBWETCU-OAQYLSRUSA-N -1 0 511.051 2.726 50 0 KFAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000063708010 554510320 /nfs/dbraw/zinc/51/03/20/554510320.db2.gz CNQAWZOFBWETCU-NRFANRHFSA-N -1 0 511.051 2.726 50 0 KFAARM O=C([O-])c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1Br ZINC000064721614 554515218 /nfs/dbraw/zinc/51/52/18/554515218.db2.gz UECHUVBNGULLLF-UHFFFAOYSA-N -1 0 539.429 2.996 50 0 KFAARM COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000070455423 553593920 /nfs/dbraw/zinc/59/39/20/553593920.db2.gz NGMYNFJANBHLKA-LVKFHIPRSA-N -1 0 514.527 2.595 50 0 biogenic,in-vitro KFAARM CC(=O)O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H](n2ncc(=O)[n-]c2=O)[C@@H]1OC(C)=O ZINC000070664612 553594719 /nfs/dbraw/zinc/59/47/19/553594719.db2.gz DTIOOVBYGKQQLB-YXINZVNLSA-N -1 0 571.586 2.701 50 0 biogenic KFAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000070687031 553605863 /nfs/dbraw/zinc/60/58/63/553605863.db2.gz RNOHRPQDCWPFEO-UIOOFZCWSA-N -1 0 600.763 2.927 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])CC2)C(C)C)cc1 ZINC000070687034 553606174 /nfs/dbraw/zinc/60/61/74/553606174.db2.gz LVRWMESCLOLWAH-UIOOFZCWSA-N -1 0 568.696 2.830 50 0 biogenic KFAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000070687173 553606398 /nfs/dbraw/zinc/60/63/98/553606398.db2.gz UWQCHIAICLGGTO-NSOVKSMOSA-N -1 0 577.703 2.935 50 0 biogenic KFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1 ZINC000070687250 553606355 /nfs/dbraw/zinc/60/63/55/553606355.db2.gz QSTWRPNLNLYGIH-ZEQRLZLVSA-N -1 0 539.629 2.879 50 0 biogenic KFAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070687745 553607576 /nfs/dbraw/zinc/60/75/76/553607576.db2.gz KNRYIIYGPWGEQP-LJWFBJGNSA-N -1 0 612.768 2.662 50 0 biogenic KFAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CCC(N)=O)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070687753 553607600 /nfs/dbraw/zinc/60/76/00/553607600.db2.gz KNRYIIYGPWGEQP-MSNLJZCMSA-N -1 0 612.768 2.662 50 0 biogenic KFAARM CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC000070687760 553607661 /nfs/dbraw/zinc/60/76/61/553607661.db2.gz CNYXXXHERLUVFC-VXKWHMMOSA-N -1 0 541.736 2.783 50 0 biogenic KFAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@@H]5C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070699103 553615533 /nfs/dbraw/zinc/61/55/33/553615533.db2.gz CISVREYUELBLRR-CUUXAECMSA-N -1 0 597.753 2.873 50 0 KFAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070699793 553617100 /nfs/dbraw/zinc/61/71/00/553617100.db2.gz JSIMSAQSHUSDLG-VXKWHMMOSA-N -1 0 538.601 2.738 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000070700031 553617662 /nfs/dbraw/zinc/61/76/62/553617662.db2.gz ZADGHZJEVVLUPY-IEWPRLFMSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)CC)C(=O)[O-] ZINC000070700034 553617712 /nfs/dbraw/zinc/61/77/12/553617712.db2.gz ZADGHZJEVVLUPY-HYUJZPPJSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@H](C)CC)C(=O)[O-] ZINC000070700037 553617635 /nfs/dbraw/zinc/61/76/35/553617635.db2.gz ZADGHZJEVVLUPY-FFCPMTHWSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)CC)C(=O)[O-] ZINC000070700040 553617626 /nfs/dbraw/zinc/61/76/26/553617626.db2.gz ZADGHZJEVVLUPY-ROQPKGOMSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000070700554 553618850 /nfs/dbraw/zinc/61/88/50/553618850.db2.gz LDVRDOBJIVCDOS-LKDDOFHYSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000070700559 553618808 /nfs/dbraw/zinc/61/88/08/553618808.db2.gz LDVRDOBJIVCDOS-QODFHFCMSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070700709 553619101 /nfs/dbraw/zinc/61/91/01/553619101.db2.gz KADOLKXSZIQGGJ-SRMDDGJOSA-N -1 0 585.742 2.777 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000070700818 553619647 /nfs/dbraw/zinc/61/96/47/553619647.db2.gz LDVRDOBJIVCDOS-JMBSJVKXSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000070700820 553619668 /nfs/dbraw/zinc/61/96/68/553619668.db2.gz LDVRDOBJIVCDOS-IMNFJDCFSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070700940 553620021 /nfs/dbraw/zinc/62/00/21/553620021.db2.gz QBUIPQGZMFCACX-JMBSJVKXSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070700942 553620026 /nfs/dbraw/zinc/62/00/26/553620026.db2.gz QBUIPQGZMFCACX-IMNFJDCFSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070701167 553620869 /nfs/dbraw/zinc/62/08/69/553620869.db2.gz QHVMQTKFXOUXCO-HJOGWXRNSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000070701235 553621199 /nfs/dbraw/zinc/62/11/99/553621199.db2.gz JOJBNSUIMIARTN-WXESENMXSA-N -1 0 548.640 2.622 50 0 biogenic KFAARM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070701381 553621781 /nfs/dbraw/zinc/62/17/81/553621781.db2.gz QHVMQTKFXOUXCO-VXNXHJTFSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000070701431 553621633 /nfs/dbraw/zinc/62/16/33/553621633.db2.gz VWUWNUTZUMIYFS-LCXINAFSSA-N -1 0 514.582 2.854 50 0 biogenic KFAARM C[C@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701606 553622591 /nfs/dbraw/zinc/62/25/91/553622591.db2.gz OYDNEYNGSFYRIW-KSNOWIBYSA-N -1 0 565.667 2.859 50 0 biogenic KFAARM C[C@@H](O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701607 553622569 /nfs/dbraw/zinc/62/25/69/553622569.db2.gz OYDNEYNGSFYRIW-DCEDVJGZSA-N -1 0 565.667 2.859 50 0 biogenic KFAARM C[C@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701634 553622732 /nfs/dbraw/zinc/62/27/32/553622732.db2.gz OYDNEYNGSFYRIW-OPXMRZJTSA-N -1 0 565.667 2.859 50 0 biogenic KFAARM C[C@@H](O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000070701636 553622651 /nfs/dbraw/zinc/62/26/51/553622651.db2.gz OYDNEYNGSFYRIW-YNJKOYDBSA-N -1 0 565.667 2.859 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)NCCCC(=O)[O-] ZINC000070704658 553623184 /nfs/dbraw/zinc/62/31/84/553623184.db2.gz JGKATYOGDQRRHS-PWECECGKSA-N -1 0 555.628 2.943 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070704670 553623180 /nfs/dbraw/zinc/62/31/80/553623180.db2.gz HVHVKUFUIIQCAU-FLXBVFITSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070704674 553623212 /nfs/dbraw/zinc/62/32/12/553623212.db2.gz HVHVKUFUIIQCAU-YQMHAVPBSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000070704748 553623552 /nfs/dbraw/zinc/62/35/52/553623552.db2.gz LDVRDOBJIVCDOS-LDLZHSJESA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000070704752 553623502 /nfs/dbraw/zinc/62/35/02/553623502.db2.gz LDVRDOBJIVCDOS-ABQRKTDGSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070704795 553623769 /nfs/dbraw/zinc/62/37/69/553623769.db2.gz GLXWTQTYBUNYIV-OYUWMTPXSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070704798 553623828 /nfs/dbraw/zinc/62/38/28/553623828.db2.gz WWINRDXLWQQKMF-OYUWMTPXSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000070704840 553623842 /nfs/dbraw/zinc/62/38/42/553623842.db2.gz LHMZSZQZEKQQFH-DQEYMECFSA-N -1 0 554.559 2.658 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070704860 553623832 /nfs/dbraw/zinc/62/38/32/553623832.db2.gz QBUIPQGZMFCACX-LDLZHSJESA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070704864 553623772 /nfs/dbraw/zinc/62/37/72/553623772.db2.gz QBUIPQGZMFCACX-ABQRKTDGSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000070704907 553623976 /nfs/dbraw/zinc/62/39/76/553623976.db2.gz LDVRDOBJIVCDOS-WJXFIBLPSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000070704910 553623968 /nfs/dbraw/zinc/62/39/68/553623968.db2.gz LDVRDOBJIVCDOS-QMTRIVCPSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc1c2C ZINC000070704916 553624096 /nfs/dbraw/zinc/62/40/96/553624096.db2.gz CYYKUKSEFQOISX-QFIPXVFZSA-N -1 0 582.009 2.705 50 0 biogenic KFAARM Cc1coc2c1cc1c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc1c2C ZINC000070704920 553623992 /nfs/dbraw/zinc/62/39/92/553623992.db2.gz CYYKUKSEFQOISX-JOCHJYFZSA-N -1 0 582.009 2.705 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070704944 553624082 /nfs/dbraw/zinc/62/40/82/553624082.db2.gz HVHVKUFUIIQCAU-UBQPIHBDSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070704950 553623957 /nfs/dbraw/zinc/62/39/57/553623957.db2.gz HVHVKUFUIIQCAU-JYIOINSGSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070705035 553624342 /nfs/dbraw/zinc/62/43/42/553624342.db2.gz GLXWTQTYBUNYIV-QKDODKLFSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC ZINC000070705036 553624361 /nfs/dbraw/zinc/62/43/61/553624361.db2.gz ZADGHZJEVVLUPY-HIKRFXOYSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)CC)C(=O)[O-] ZINC000070705038 553624252 /nfs/dbraw/zinc/62/42/52/553624252.db2.gz ZADGHZJEVVLUPY-LWMMKVNCSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@H](C)CC)C(=O)[O-] ZINC000070705040 553624254 /nfs/dbraw/zinc/62/42/54/553624254.db2.gz ZADGHZJEVVLUPY-NUXVFQDLSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)[C@@H](C)CC)C(=O)[O-] ZINC000070705042 553624292 /nfs/dbraw/zinc/62/42/92/553624292.db2.gz ZADGHZJEVVLUPY-AONIPZHHSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](CCCNC(N)=O)C(=O)NCCCC(=O)[O-])occ3-c1ccccc1 ZINC000070705096 553624594 /nfs/dbraw/zinc/62/45/94/553624594.db2.gz JNXFIUIQMRTOEE-HSZRJFAPSA-N -1 0 576.606 2.971 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070705122 553624591 /nfs/dbraw/zinc/62/45/91/553624591.db2.gz WWINRDXLWQQKMF-QKDODKLFSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000070705125 553624602 /nfs/dbraw/zinc/62/46/02/553624602.db2.gz ZGLQHFKOOXZPDW-JIMJEQGWSA-N -1 0 556.619 2.947 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000070705286 553625215 /nfs/dbraw/zinc/62/52/15/553625215.db2.gz HFWGWXQAJGIMAV-NEOYCHAESA-N -1 0 556.619 2.947 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000070705290 553625154 /nfs/dbraw/zinc/62/51/54/553625154.db2.gz HFWGWXQAJGIMAV-JYVYKJRCSA-N -1 0 556.619 2.947 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000070705416 553625398 /nfs/dbraw/zinc/62/53/98/553625398.db2.gz HFWGWXQAJGIMAV-NEBIIKFJSA-N -1 0 556.619 2.947 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000070705419 553625270 /nfs/dbraw/zinc/62/52/70/553625270.db2.gz HFWGWXQAJGIMAV-QNMIOERPSA-N -1 0 556.619 2.947 50 0 biogenic KFAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)cc1 ZINC000070705983 553626949 /nfs/dbraw/zinc/62/69/49/553626949.db2.gz IVOSRGGAVGCCOE-WFIHMLKPSA-N -1 0 581.585 2.718 50 0 biogenic KFAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)cc1 ZINC000070705991 553626999 /nfs/dbraw/zinc/62/69/99/553626999.db2.gz IVOSRGGAVGCCOE-DPPGTGKWSA-N -1 0 581.585 2.718 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000070706049 553626986 /nfs/dbraw/zinc/62/69/86/553626986.db2.gz ZGLQHFKOOXZPDW-KKUQBAQOSA-N -1 0 556.619 2.947 50 0 biogenic KFAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000070706059 553626959 /nfs/dbraw/zinc/62/69/59/553626959.db2.gz RRHCXXCNIUNGBG-NRFANRHFSA-N -1 0 556.616 2.620 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070706124 553627205 /nfs/dbraw/zinc/62/72/05/553627205.db2.gz QSCXVJBYANZUPQ-NXCFDTQHSA-N -1 0 588.686 2.524 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706321 553627701 /nfs/dbraw/zinc/62/77/01/553627701.db2.gz SYKVTZBNPJLAGC-KKUQBAQOSA-N -1 0 588.686 2.524 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070706361 553627735 /nfs/dbraw/zinc/62/77/35/553627735.db2.gz WWINRDXLWQQKMF-VJGNERBWSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)N[C@H](C)C(=O)[O-] ZINC000070706369 553627717 /nfs/dbraw/zinc/62/77/17/553627717.db2.gz OBSGAOGEHDIFKX-LKOFHKMLSA-N -1 0 553.612 2.505 50 0 biogenic KFAARM O=C([O-])C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000070706374 553627708 /nfs/dbraw/zinc/62/77/08/553627708.db2.gz JXTXVUSKLMQUOX-SVBPBHIXSA-N -1 0 568.630 2.524 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070706613 553628235 /nfs/dbraw/zinc/62/82/35/553628235.db2.gz HVHVKUFUIIQCAU-WWKAFPJRSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000070706619 553628290 /nfs/dbraw/zinc/62/82/90/553628290.db2.gz HVHVKUFUIIQCAU-UJODKQELSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706718 553628579 /nfs/dbraw/zinc/62/85/79/553628579.db2.gz QHVMQTKFXOUXCO-RBZQAINGSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706916 553629329 /nfs/dbraw/zinc/62/93/29/553629329.db2.gz GLXWTQTYBUNYIV-GMQQYTKMSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706927 553629345 /nfs/dbraw/zinc/62/93/45/553629345.db2.gz QHVMQTKFXOUXCO-KMDXXIMOSA-N -1 0 536.629 2.620 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706944 553629359 /nfs/dbraw/zinc/62/93/59/553629359.db2.gz LDWWVEAXQMIFLL-FLXBVFITSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706946 553629350 /nfs/dbraw/zinc/62/93/50/553629350.db2.gz LDWWVEAXQMIFLL-YQMHAVPBSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706969 553629325 /nfs/dbraw/zinc/62/93/25/553629325.db2.gz LDWWVEAXQMIFLL-YJECHUCRSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706971 553629324 /nfs/dbraw/zinc/62/93/24/553629324.db2.gz LDWWVEAXQMIFLL-MPPVSAIVSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000070706995 553629662 /nfs/dbraw/zinc/62/96/62/553629662.db2.gz SYKVTZBNPJLAGC-GSDHBNRESA-N -1 0 588.686 2.524 50 0 biogenic KFAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)c1 ZINC000070707015 553629638 /nfs/dbraw/zinc/62/96/38/553629638.db2.gz QAVZZVFVPJFAED-LLZJGCNPSA-N -1 0 554.559 2.835 50 0 biogenic KFAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)c1 ZINC000070707017 553629641 /nfs/dbraw/zinc/62/96/41/553629641.db2.gz QAVZZVFVPJFAED-GVUKDKGQSA-N -1 0 554.559 2.835 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070707037 553629631 /nfs/dbraw/zinc/62/96/31/553629631.db2.gz HVHVKUFUIIQCAU-YJECHUCRSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000070707043 553629650 /nfs/dbraw/zinc/62/96/50/553629650.db2.gz HVHVKUFUIIQCAU-MPPVSAIVSA-N -1 0 570.646 2.817 50 0 biogenic KFAARM Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-])c1=O ZINC000070707127 553629932 /nfs/dbraw/zinc/62/99/32/553629932.db2.gz VPVKYGAEDWYKLF-GMAHTHKFSA-N -1 0 552.628 2.748 50 0 biogenic KFAARM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000070707207 553630270 /nfs/dbraw/zinc/63/02/70/553630270.db2.gz WFZLZHKZCBUWEJ-SDHOMARFSA-N -1 0 561.639 2.711 50 0 biogenic KFAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000070707291 553630466 /nfs/dbraw/zinc/63/04/66/553630466.db2.gz WEBDYYQPNJARBQ-XPVKZQAGSA-N -1 0 561.639 2.711 50 0 biogenic KFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(C)C)C(=O)[O-] ZINC000070707293 553630428 /nfs/dbraw/zinc/63/04/28/553630428.db2.gz WEBDYYQPNJARBQ-JEQOYQROSA-N -1 0 561.639 2.711 50 0 biogenic KFAARM O=C([O-])[C@H](CSCNC(=O)c1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O ZINC000070707402 553630705 /nfs/dbraw/zinc/63/07/05/553630705.db2.gz RVGJOSFRXWYYDR-DQEYMECFSA-N -1 0 585.642 2.645 50 0 biogenic KFAARM COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)c1 ZINC000070707552 553631243 /nfs/dbraw/zinc/63/12/43/553631243.db2.gz WRZKQFQEXDILRL-WFIHMLKPSA-N -1 0 581.585 2.718 50 0 biogenic KFAARM COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)c1 ZINC000070707555 553631253 /nfs/dbraw/zinc/63/12/53/553631253.db2.gz WRZKQFQEXDILRL-DPPGTGKWSA-N -1 0 581.585 2.718 50 0 biogenic KFAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])oc1c3CCCC1 ZINC000070707577 553631270 /nfs/dbraw/zinc/63/12/70/553631270.db2.gz NTWDLRAFPRKQQE-XMMPIXPASA-N -1 0 587.629 2.704 50 0 biogenic KFAARM COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)cc1 ZINC000070707580 553631200 /nfs/dbraw/zinc/63/12/00/553631200.db2.gz AUSPJMNZPFGWPO-LLZJGCNPSA-N -1 0 554.559 2.835 50 0 biogenic KFAARM COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)cc1 ZINC000070707585 553631250 /nfs/dbraw/zinc/63/12/50/553631250.db2.gz AUSPJMNZPFGWPO-GVUKDKGQSA-N -1 0 554.559 2.835 50 0 biogenic KFAARM CSC[C@H](NC(=O)[C@H](CSC)NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC(C)(C)CC3)C(=O)[O-] ZINC000070708368 553632827 /nfs/dbraw/zinc/63/28/27/553632827.db2.gz NIBQZUNVWYMGNB-ROUUACIJSA-N -1 0 536.672 2.528 50 0 biogenic KFAARM Cn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191506 553645895 /nfs/dbraw/zinc/64/58/95/553645895.db2.gz PIYCYAXGHNGOOY-UHFFFAOYSA-N -1 0 504.366 2.937 50 0 KFAARM O=C([O-])[C@H]1O[C@@H](O[C@@H](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000077292477 553659696 /nfs/dbraw/zinc/65/96/96/553659696.db2.gz MPXLJVWGRVISEQ-ADEYADIWSA-N -1 0 585.556 2.805 50 0 in-vitro KFAARM C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000079221536 553671848 /nfs/dbraw/zinc/67/18/48/553671848.db2.gz OIFUSWZLCJYPAZ-HORRXRAPSA-N -1 0 662.736 2.888 50 0 biogenic KFAARM NC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)(=O)[N-]CC(F)(F)F ZINC000085392534 553678807 /nfs/dbraw/zinc/67/88/07/553678807.db2.gz UPCTWTDJZPAJFM-UHFFFAOYSA-N -1 0 500.208 2.720 50 0 KFAARM CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000091690324 553695207 /nfs/dbraw/zinc/69/52/07/553695207.db2.gz JJSSSDPKWOLZEV-MRXNPFEDSA-N -1 0 532.635 2.623 50 0 KFAARM CC(=O)Nc1c(I)c(N)c(I)c(C(=O)[O-])c1I ZINC000095848761 553713903 /nfs/dbraw/zinc/71/39/03/553713903.db2.gz XCNHOBHCZBIGJP-UHFFFAOYSA-N -1 0 571.878 2.739 50 0 KFAARM O=C([O-])COCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096031984 553723611 /nfs/dbraw/zinc/72/36/11/553723611.db2.gz LNIFRTLAPAPKAG-UHFFFAOYSA-N -1 0 517.575 2.693 50 0 KFAARM Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NC1CC1 ZINC000096291873 553745360 /nfs/dbraw/zinc/74/53/60/553745360.db2.gz YDOZRBKUAQMIPP-UHFFFAOYSA-N -1 0 514.516 2.641 50 0 KFAARM COc1ccccc1C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C)c(S(=O)(=O)NC2CC2)c1 ZINC000096291877 553745336 /nfs/dbraw/zinc/74/53/36/553745336.db2.gz GBQMSIAKBFBVIZ-UHFFFAOYSA-N -1 0 500.533 2.921 50 0 KFAARM COCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(F)cc2)c(S(=O)(=O)NC2CC2)c1 ZINC000096317532 553750184 /nfs/dbraw/zinc/75/01/84/553750184.db2.gz JXRFAWSHATVWQB-UHFFFAOYSA-N -1 0 518.523 2.836 50 0 KFAARM CC(C)C(=O)Nc1ccc(Oc2cc(C(=O)[O-])nn2C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000096317788 553750920 /nfs/dbraw/zinc/75/09/20/553750920.db2.gz MIHPMXRVEXFYTD-UHFFFAOYSA-N -1 0 516.532 2.712 50 0 KFAARM COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1Oc1c(C)c(C(=O)[O-])nn1C ZINC000096317928 553750980 /nfs/dbraw/zinc/75/09/80/553750980.db2.gz YXENQAIALQSKRT-UHFFFAOYSA-N -1 0 506.512 2.535 50 0 KFAARM CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000096317997 553751303 /nfs/dbraw/zinc/75/13/03/553751303.db2.gz AXVUFIQLHACDBM-UHFFFAOYSA-N -1 0 506.581 2.852 50 0 KFAARM Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000096318291 553751543 /nfs/dbraw/zinc/75/15/43/553751543.db2.gz IFOBGOKQUQXYFH-UHFFFAOYSA-N -1 0 521.640 2.968 50 0 KFAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCOCC1 ZINC000096324120 553752049 /nfs/dbraw/zinc/75/20/49/553752049.db2.gz XLEJOBBRCIGEDD-UHFFFAOYSA-N -1 0 512.009 2.775 50 0 KFAARM Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CCN(CC(=O)NC(C)C)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000096355849 553752902 /nfs/dbraw/zinc/75/29/02/553752902.db2.gz PTBJNHCXNUDRNF-UHFFFAOYSA-N -1 0 525.631 2.689 50 0 KFAARM CN(CC(=O)N1CCc2c(nc3cc(-c4ccccc4Cl)[n-]n3c2=O)C1)S(=O)(=O)c1cccs1 ZINC000097942023 553767680 /nfs/dbraw/zinc/76/76/80/553767680.db2.gz BKPUQVKZMPNLJM-UHFFFAOYSA-N -1 0 518.020 2.610 50 0 KFAARM O=S(=O)([N-]NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(Cl)ccc1Cl ZINC000097945648 553773678 /nfs/dbraw/zinc/77/36/78/553773678.db2.gz RYAYKVYUDJCTPF-UHFFFAOYSA-N -1 0 533.444 2.764 50 0 KFAARM CC[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12)n1nc(C)c(Cl)c1C ZINC000097947834 553788924 /nfs/dbraw/zinc/78/89/24/553788924.db2.gz ZJZIJNIHLGQSQC-UVBSCNOISA-N -1 0 543.096 2.795 50 0 KFAARM CC[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnc(C)s3)CS[C@H]12)n1nc(C)c(Cl)c1C ZINC000097947836 553788900 /nfs/dbraw/zinc/78/89/00/553788900.db2.gz ZJZIJNIHLGQSQC-RVZJWNSFSA-N -1 0 543.096 2.795 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(OC)c(OC)c4)CC3)cc21 ZINC000097951355 553808511 /nfs/dbraw/zinc/80/85/11/553808511.db2.gz KYXYDALJWNHXNC-UHFFFAOYSA-N -1 0 542.589 2.713 50 0 KFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4F)n3N)cc2)nc(C)n1 ZINC000097952668 553817696 /nfs/dbraw/zinc/81/76/96/553817696.db2.gz NWELSZKNSGHWEB-UHFFFAOYSA-N -1 0 528.595 2.736 50 0 KFAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000097955827 553834337 /nfs/dbraw/zinc/83/43/37/553834337.db2.gz RBGHWCNEXVXEIV-WBBHLRKXSA-N -1 0 533.588 2.970 50 0 KFAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000097955828 553834144 /nfs/dbraw/zinc/83/41/44/553834144.db2.gz RBGHWCNEXVXEIV-QXNWPYRLSA-N -1 0 533.588 2.970 50 0 KFAARM Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O ZINC000097955829 553834118 /nfs/dbraw/zinc/83/41/18/553834118.db2.gz RBGHWCNEXVXEIV-DLLPINGYSA-N -1 0 533.588 2.970 50 0 KFAARM Cc1coc2cc3oc(=O)c(CCC(=O)NCCCC(=O)N4CCC(C(=O)NCCC(=O)[O-])CC4)c(C)c3cc12 ZINC000097956978 553843357 /nfs/dbraw/zinc/84/33/57/553843357.db2.gz AUSDQNBZJDXJOP-UHFFFAOYSA-N -1 0 553.612 2.815 50 0 KFAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000097957025 553843855 /nfs/dbraw/zinc/84/38/55/553843855.db2.gz JJWULMSGEWKVDT-FCHUYYIVSA-N -1 0 582.654 2.880 50 0 KFAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-] ZINC000097957026 553843888 /nfs/dbraw/zinc/84/38/88/553843888.db2.gz JJWULMSGEWKVDT-FGZHOGPDSA-N -1 0 582.654 2.880 50 0 KFAARM COc1cc(OC)c2c(C)c(CC(=O)N3CCC(C(=O)NCCC(=O)[O-])(c4ccccc4)CC3)c(=O)oc2c1 ZINC000097957099 553844540 /nfs/dbraw/zinc/84/45/40/553844540.db2.gz REXXWYNZIZHZEI-UHFFFAOYSA-N -1 0 536.581 2.812 50 0 KFAARM CCOC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1 ZINC000097958202 553852068 /nfs/dbraw/zinc/85/20/68/553852068.db2.gz JXBYVKZANIFXGR-UHFFFAOYSA-N -1 0 527.559 2.529 50 0 KFAARM CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000097961095 553875179 /nfs/dbraw/zinc/87/51/79/553875179.db2.gz DCBIXZXTHZYVAJ-CXUHLZMHSA-N -1 0 548.346 2.851 50 0 KFAARM COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC(=O)[O-])c(=O)n2[C@H]1c1ccccc1 ZINC000097961847 553881160 /nfs/dbraw/zinc/88/11/60/553881160.db2.gz IBFNDXYEZWPFGN-VTCDDQIKSA-N -1 0 543.395 2.634 50 0 KFAARM COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OCC(=O)[O-])c(=O)n2[C@@H]1c1ccccc1 ZINC000097961848 553881179 /nfs/dbraw/zinc/88/11/79/553881179.db2.gz IBFNDXYEZWPFGN-PETIARSGSA-N -1 0 543.395 2.634 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@H]2SC1 ZINC000097966042 553906801 /nfs/dbraw/zinc/90/68/01/553906801.db2.gz FYXQHTSRNCKMOY-DYESRHJHSA-N -1 0 551.371 2.536 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@@H]2SC1 ZINC000097966043 553906779 /nfs/dbraw/zinc/90/67/79/553906779.db2.gz FYXQHTSRNCKMOY-UTKZUKDTSA-N -1 0 551.371 2.536 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@H]2SC1 ZINC000097966044 553906775 /nfs/dbraw/zinc/90/67/75/553906775.db2.gz FYXQHTSRNCKMOY-LAUBAEHRSA-N -1 0 551.371 2.536 50 0 KFAARM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4)o3)[C@@H]2SC1 ZINC000097966045 553906799 /nfs/dbraw/zinc/90/67/99/553906799.db2.gz FYXQHTSRNCKMOY-UWJYYQICSA-N -1 0 551.371 2.536 50 0 KFAARM CCCCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)C=CC(=O)[O-])C2=O)cc1 ZINC000097968912 553934927 /nfs/dbraw/zinc/93/49/27/553934927.db2.gz WZQWNLMYWJXATB-WOOPDLCSSA-N -1 0 557.625 2.595 50 0 KFAARM O=C([O-])[C@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097972166 553966415 /nfs/dbraw/zinc/96/64/15/553966415.db2.gz TYZSMQUWFLKJFB-ZEQRLZLVSA-N -1 0 542.548 2.758 50 0 KFAARM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000097982894 554006184 /nfs/dbraw/zinc/00/61/84/554006184.db2.gz WHKHXNRMFOHPJF-UHFFFAOYSA-N -1 0 604.682 2.736 50 0 KFAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4sc5c(c4C(=O)OC)CCCC5)CC3)nc21 ZINC000098008166 554066637 /nfs/dbraw/zinc/06/66/37/554066637.db2.gz RNJIMMDPDCRTLQ-UHFFFAOYSA-N -1 0 556.670 2.756 50 0 KFAARM COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC ZINC000100076459 554204536 /nfs/dbraw/zinc/20/45/36/554204536.db2.gz IJRYMBZKZRNAEN-QZEKMECESA-N -1 0 531.359 2.810 50 0 KFAARM CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(Br)cc1)C(=O)NCC(N)=O ZINC000100085486 554208728 /nfs/dbraw/zinc/20/87/28/554208728.db2.gz KUFVCHZPRVIJSR-RTWAWAEBSA-N -1 0 627.492 2.665 50 0 KFAARM CCCCCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccc(S(N)(=O)=O)cc3)C(=O)C=CC(=O)[O-])C2=O)cc1 ZINC000100172363 554238837 /nfs/dbraw/zinc/23/88/37/554238837.db2.gz WZQWNLMYWJXATB-NSFRLNINSA-N -1 0 557.625 2.595 50 0 KFAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)cc2)nn1 ZINC000100299436 554289931 /nfs/dbraw/zinc/28/99/31/554289931.db2.gz NRJOLGPLCLPURG-LFYBBSHMSA-N -1 0 529.600 2.830 50 0 KFAARM [O-]c1c(I)c(O)c(I)c(O)c1I ZINC000100768954 554470691 /nfs/dbraw/zinc/47/06/91/554470691.db2.gz YUQIVUXABFZTSY-UHFFFAOYSA-N -1 0 503.799 2.617 50 0 KFAARM COCCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100873004 554501934 /nfs/dbraw/zinc/50/19/34/554501934.db2.gz MEIUGDPOSZKEQO-LCUIJRPUSA-N -1 0 560.679 2.847 50 0 KFAARM CCOC(=O)Cn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100877639 554505597 /nfs/dbraw/zinc/50/55/97/554505597.db2.gz TXWYVOSBTNCODW-RFBIWTDZSA-N -1 0 588.689 2.764 50 0 KFAARM O=S(=O)([O-])CCOc1c(I)cc(I)cc1I ZINC000101014555 554558974 /nfs/dbraw/zinc/55/89/74/554558974.db2.gz XGVCLTMSJWTDLP-UHFFFAOYSA-N -1 0 579.919 2.767 50 0 KFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=S)n3-c2ccc(F)cc2)cc1 ZINC000101232478 554689630 /nfs/dbraw/zinc/68/96/30/554689630.db2.gz OWLYSQUAMNPVDM-HXUWFJFHSA-N -1 0 557.507 2.681 50 0 KFAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=S)n3-c2ccc(F)cc2)cc1 ZINC000101232484 554689691 /nfs/dbraw/zinc/68/96/91/554689691.db2.gz OWLYSQUAMNPVDM-FQEVSTJZSA-N -1 0 557.507 2.681 50 0 KFAARM 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O=C(CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000113480856 571438962 /nfs/dbraw/zinc/43/89/62/571438962.db2.gz RAWQLTRWUUNYFT-SJORKVTESA-N -1 0 556.695 2.515 50 0 KFAARM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000139217659 1059550982 /nfs/dbraw/zinc/55/09/82/1059550982.db2.gz RGMDMBNMKCOGME-OWLMGLOSSA-N -1 0 506.632 2.935 50 0 KFAARM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000139217771 1059551010 /nfs/dbraw/zinc/55/10/10/1059551010.db2.gz RGMDMBNMKCOGME-AEVNEEFTSA-N -1 0 506.632 2.935 50 0 KFAARM O=C([O-])CN1C(=O)c2c(c(I)c(I)c(I)c2I)C1=O ZINC000150340157 562843156 /nfs/dbraw/zinc/84/31/56/562843156.db2.gz FLSXICNYHDJIAW-UHFFFAOYSA-N -1 0 708.753 2.786 50 0 in-vitro KFAARM O=C([O-])COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150695883 571529048 /nfs/dbraw/zinc/52/90/48/571529048.db2.gz JRLUSGRARXJCNA-UHFFFAOYSA-N -1 0 649.734 2.743 50 0 KFAARM COCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000169683286 571558065 /nfs/dbraw/zinc/55/80/65/571558065.db2.gz XTSMHIRXICEYQX-GMPVAZGLSA-N -1 0 596.750 2.985 50 0 KFAARM CSc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[n-]c1=O ZINC000196838725 1059456683 /nfs/dbraw/zinc/45/66/83/1059456683.db2.gz TYBPSBRLDSHEPX-ICLZECGLSA-N -1 0 603.609 2.859 50 0 KFAARM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000207990672 1059014369 /nfs/dbraw/zinc/01/43/69/1059014369.db2.gz RGMDMBNMKCOGME-CTTRRDQISA-N -1 0 506.632 2.935 50 0 KFAARM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000207990713 1059014470 /nfs/dbraw/zinc/01/44/70/1059014470.db2.gz RGMDMBNMKCOGME-BHQIVLKMSA-N -1 0 506.632 2.935 50 0 KFAARM CC[C@@H](C)[C@H](NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-] ZINC000218005836 1059486790 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