smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1 8686793 MMGMNUOTXKHGRH-AKQHZCNNSA-N 511.607 2.627 0 50 KFAA Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)nc4c3c(C)nn4C)CC2)cc1 20606319 DGBBYNLSBJHBKS-UHFFFAOYSA-N 521.647 2.749 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc(N(C)C)nc3C)C[C@@H]1NC(=O)CN(C)C2=O 952856405 CIRYNWQOSGJLMB-AHWVRZQESA-N 558.639 2.563 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(c2nccc(N3CCC(O)CC3)n2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857710866 URUGIRUUXGDKIB-PMERELPUSA-N 639.761 2.839 0 50 KFAA Cc1cc(C)n(CC(=O)N2CCCCOc3cccc(c3)[C@H]3CN(C(=O)c4ccc(Cl)cn4)C[C@@H]3NC(=O)C2)n1 2100534222 YPVGOYNANGXZRU-RSXGOPAZSA-N 565.074 2.974 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 2909521 LNWMZPBRIYMIMA-ZRELAVNMSA-N 508.552 2.514 0 50 KFAA COC(=O)[C@@H]1[C@]2(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n3[C@H]3c4ccccc4O[C@@]312 245253624 JSKDYXMZPOACEA-IWFNZKAKSA-N 503.363 2.666 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2cccnc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772704645 OKMAWLSSTCMVHO-SGQICDRISA-N 690.846 2.751 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCC(=O)Nc1ccccn1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443225 ZLMDFGGBRLANGZ-KSWFEDHFSA-N 540.624 2.511 0 50 KFAA CCOc1cc(C(=S)N2C[C@@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)N1CCOCC1 1105291 PRJBAKNRODMVPF-HUUCEWRRSA-N 501.443 2.870 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 253402057 FZUNPIYLVWVWMN-GMAHTHKFSA-N 573.712 2.895 0 50 KFAA biogenic O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]2N1 952862317 NYLZQMGFEZMESZ-KYJUHHDHSA-N 603.720 2.915 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cccc4c3OCCO4)C[C@@H]2Oc2ccc(cc2)CN1 1772714126 ZUXWYDANUDZIRR-YTMVLYRLSA-N 599.640 2.957 0 50 KFAA O=C(NCCOCC1CCCC1)[C@H]1CCCN(S(=O)(=O)NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 1875342192 CDMLYEXIVPPQTI-IPMKNSEASA-N 511.607 2.751 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)NC4(Cc5ccc(F)cc5F)CCOCC4)ccc3C2=O)C(=O)N1 2325899115 OPZXMJAGWZHPQA-OAQYLSRUSA-N 512.513 2.639 0 50 KFAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3cnc(C4CC4)nc3)CC[C@H]1O2 2356160970 AGPZWBUNYUPUBA-LOSJGSFVSA-N 571.634 2.772 0 50 KFAA COC(=O)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O 150662610 XGIYRSDOWKIVMX-ARKPRPPMSA-N 720.820 2.558 0 50 KFAA Cc1c(C)[n+]([O-])c([C@@H](c2ccccc2OCC(=O)O)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263588874 ZJGFZCXHKGNNLU-QFIPXVFZSA-N 508.527 2.834 0 50 KFAA CN(C)c1ccc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)C4CCOCC4)CCNC(=O)[C@H]3C2)cc1 1875242507 VZOCKVSCNWLEEC-IZLXSDGUSA-N 548.684 2.762 0 50 KFAA Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1765626 OCDIAWYQMCPHAM-UHFFFAOYSA-N 565.739 2.560 0 50 KFAA biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(N)(=O)=O)cc2)cc1 2350597 QBZDBXBXLKXGGS-UHFFFAOYSA-N 512.573 2.780 0 50 KFAA COc1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1 952862765 QRLHFDIFHVIPKG-GMAHTHKFSA-N 511.966 2.562 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(C(=O)CNC(=O)c3nonc3C)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772816790 AZKMTAYRRDFQBS-UHFFFAOYSA-N 714.732 2.796 0 50 KFAA CCC(=O)N1CCC(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)CC1 1772817315 KHDHMRLCIDMRTC-FIPFOOKPSA-N 663.801 2.879 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(S(=O)(=O)N1CCCC1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857703013 FAKXZQOVJQOFDL-UCGGBYDDSA-N 778.929 2.901 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CCNC(=O)COc2cc(ccc2OC)C1 1857706561 LETKAPQAZQIEQK-QNGWXLTQSA-N 691.826 2.768 0 50 KFAA CCOC(=O)C1CCN(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)CC1 1857706572 LNCLZEIKGWYAAY-QHCPKHFHSA-N 521.680 2.605 0 50 KFAA N[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)c1ccc(F)cc1F 1875340525 GUFVMGQOINSKKW-DEOSSOPVSA-N 544.562 2.551 0 50 KFAA COC(=O)COc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N(C)C)c3)c3ccccc3c2=O)cc1 1070686 SGMJIZYRHACURM-UHFFFAOYSA-N 564.620 2.813 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 8425255 NZNPVZQLGSKPST-LNXFQTKESA-N 578.599 2.574 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 13766266 XTHWBTWOSZFXSQ-MGSPXPDISA-N 522.579 2.741 0 50 KFAA CCOC(=O)c1c(NC(C)=O)sc2c(OC[C@H](O)CN3CCOCC3)c(Br)ccc12 17903326 RDIAGXMOVLEVTA-CYBMUJFWSA-N 501.399 2.871 0 50 KFAA O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(c4cc(C(=O)O)cc(C(=O)O)c4)C5=O)cc3C2=O)c1 150397783 LZQXXQGQFMMFNX-UHFFFAOYSA-N 684.547 2.913 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497378 IKJNNQJEFRCUHB-BAODWMKVSA-N 568.531 2.922 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cc3sccc3[nH]2)CCNC1=O 952865331 WGRMZCYPMVZMRY-ROQFYEMFSA-N 713.261 2.768 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(C(=O)[C@H]3CCC(=O)N3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772817732 QRFZUCMZQGYPCB-HHHXNRCGSA-N 658.708 2.953 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2nc3ccccc3n2)CCNC(=O)COc2ccc(cc2OC)C1 1857697068 SYWWASJVCOCBLA-UUWRZZSWSA-N 650.777 2.902 0 50 KFAA COc1cc(OC)cc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccc(OC)c(OC)c3)c2=O)c1 8592158 XLAOVVJJOOMHRX-UHFFFAOYSA-N 519.554 2.546 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC[C@H]1OCc1cccc(c1)O2 952863623 XXNUAVZVWMKUHM-URLMMPGGSA-N 621.735 2.959 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccncc2Cl)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704326780 MNESBFUBFADCPK-PWUSVURUSA-N 778.336 2.795 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1cn(C)c3ccccc13)CCCNC(=O)[C@@H](C)NC2=O 1704338242 OXLDILBKWAKDSZ-OAQYLSRUSA-N 557.655 2.828 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)C2CC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817576 DYDAXZWKMNYQQJ-CVDCTZTESA-N 564.668 2.640 0 50 KFAA COc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)cc2)c1 1875255928 BPZHYNGBUPGXJZ-UHFFFAOYSA-N 508.619 2.873 0 50 KFAA CC(=O)N[C@@H]1[C@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@H](O)[C@H]1O 245264684 DTQGGFOPSZLQAV-BNUSXPRPSA-N 530.581 2.671 0 50 KFAA CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c3c(c2OC)OCO3)c1O 253496535 LTTNZSUQEFWKQO-OAHLLOKOSA-N 568.535 2.983 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C[C@@H]1NC(=O)CC2 1772706207 YHRUXZYSGJFTOE-YZNIXAGQSA-N 627.698 2.563 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccccc2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772706706 XHHHNKGCBHTRRG-SQJMNOBHSA-N 612.691 2.727 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2ccccn2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857704736 DDILPERRXRNXSX-RUIKBKNUSA-N 720.799 2.700 0 50 KFAA CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 16679923 QGIQMSXODMZKCL-FEYWKWKCSA-N 517.607 2.932 0 50 KFAA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)N[C@H](CC(=O)OC)C(=O)OC 22589116 AUNUJAFVNHVXOI-SUMWQHHRSA-N 502.545 2.776 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1F 100657261 LTOZIPKEOGLEJO-ISJGIBHGSA-N 544.693 2.568 0 50 KFAA C[C@@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@@H]3[C@H]5[C@@H]6[C@H](CC[C@H]6[C@H]31)O[C@H](N1C(=O)CCC1=O)[C@]54C)O[C@@H]2N1C(=O)CCC1=O 253596816 WHKWKQIREHTRPI-BOHDNPNQSA-N 520.626 2.551 0 50 KFAA CN(C)C(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)CC1 952858156 VNHQVYXHKCAFAC-URLMMPGGSA-N 605.736 2.879 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)c3cncn3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616118662 TYYUTRAWNYUWTR-RSXGOPAZSA-N 531.613 2.533 0 50 KFAA CCOC(=O)[C@H](CC1=CN[C@@H]2C=CC=C[C@@H]12)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1772665190 SXBXYLJEUWKBRZ-QUKDMSEQSA-N 511.578 2.930 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccncc3F)C[C@@H]2Oc2ccc(cc2)CN1 1772714489 SUAJPWQHMDZWPQ-SVBPBHIXSA-N 560.582 2.720 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1CCCC1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1800411100 FJXPXOIWSQJEGC-FIPFOOKPSA-N 663.801 2.941 0 50 KFAA COc1ccc(-n2ccnc2CN2[C@H]3CC[C@@H]2CNC(=O)c2cc(F)ccc2OCCNC(=O)C3)cc1 1857739173 FDRDYSCSDLGLDB-LEWJYISDSA-N 507.566 2.682 0 50 KFAA CCOC(=O)c1oc2cc(O[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 1857801093 SFBDPQSPXMSRAI-UZQVQBIGSA-N 647.611 2.555 0 50 KFAA CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cc3c(cc2F)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2325899436 DSGNSBMFPBBBND-IXCJQBJRSA-N 782.645 2.853 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 15659670 AWUJQOHTFHUCKE-VOMPUTFMSA-N 500.598 2.886 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 100504721 VUPPLOWXEISRMM-AQIZGWBQSA-N 550.589 2.658 0 50 KFAA O=C(Nc1c(F)cccc1F)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 101536629 JXSLOQPVDBLORO-OAQYLSRUSA-N 521.567 2.667 0 50 KFAA O=C1c2ccccc2C(=O)N1C[C@@H]1OCCOCCOCCO[C@H](CN2C(=O)c3ccccc3C2=O)[C@@H](CN2C(=O)c3ccccc3C2=O)OCCOCCOCCO[C@@H]1CN1C(=O)c2ccccc2C1=O 150649718 NPLASEGDXFYLME-YMZAAHCZSA-N 989.000 2.792 0 50 KFAA Cc1ccn(CCN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n1 1772700618 HEODBYXRNOFKBR-NSOVKSMOSA-N 545.640 2.551 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCC(C)C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979581 MJXATDOYUDZQIE-IDISGSTGSA-N 570.735 2.958 0 50 KFAA COc1ccc2cc1OCCCN(Cc1cnc(N)nc1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775980322 YIRLRRFRJNDGII-XMMPIXPASA-N 585.665 2.659 0 50 KFAA Cc1ccc(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1S(=O)(=O)N1CCCC1 1230731 ZUZMNGBALIBZCV-UHFFFAOYSA-N 512.675 2.705 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 2333589 NJUWNIJLZBXYHK-VVOOWDFBSA-N 510.568 2.530 0 50 KFAA CCOc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8454140 RDHVUILTSPKYAV-HSZRJFAPSA-N 529.640 2.788 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 8920549 NIXGMQSLNNQCRH-YJADQXIJSA-N 520.563 2.510 0 50 KFAA COC(=O)CCNC(=O)[C@H](C)Sc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl 118161621 QPTPZPIXUPELRM-VIFPVBQESA-N 511.881 2.507 0 50 KFAA in-vitro O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCCCCCCC(=O)OC[C@H](O)CO 144245786 VBKRYTDHRKYILK-XBJMDHIQSA-N 515.717 2.626 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3nccc(N4CCC(O)CC4)n3)C[C@@H]1NC(=O)CN(C)C2=O 952861888 ISIQGFBFNKTJQO-BDYUSTAISA-N 572.666 2.514 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3cnc(Nc4ccccc4)nc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321596 BEWYGOLSHBCZNQ-CUNXSJBXSA-N 601.708 2.546 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cnc(C)cn2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704324800 UXWNNRUVCSLQGR-XEPZGSHASA-N 685.826 2.723 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(Cc3ccccn3)C[C@@H]2Oc2ccc(cc2)CN1 1772817582 FGNYTKMENCRDCK-NSOVKSMOSA-N 528.609 2.941 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cnn3cc(C)ccc23)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775978514 DRQAILBKOUNQLG-ZTOMLWHTSA-N 630.750 2.791 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)Cc1cnc3c(C)cccn13)CCNC2=O 1940196676 ZIKPOWVOZNQMKA-HSZRJFAPSA-N 636.713 2.981 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)Cn2c(=O)oc3ccccc32)CCCC1=O 2356138169 GVHBXYYCVDMJKV-MGBGTMOVSA-N 603.720 2.556 0 50 KFAA CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I 3830961 UXIGWFXRQKWHHA-UHFFFAOYSA-N 613.915 2.517 0 50 KFAA fda C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C 169731043 FEVBMCJUKWWWBT-QVWKUIOOSA-N 986.177 2.808 0 50 KFAA in-vitro CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2cccc(Cn3cccn3)c2)CCN(C)C(=O)[C@@H](C)NC1=O 1704316795 AKNDKKGASDGMHQ-GJZSCTEUSA-N 755.946 2.526 0 50 KFAA COc1ccc(CCNC(=O)CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1 1772713371 FJIBXCKEFHKXBQ-ACHIHNKUSA-N 628.726 2.713 0 50 KFAA Cc1cc(C)n(CCC(=O)N2CCCNC(=O)[C@H]3CN(C(=O)c4cscn4)C[C@@H]3c3cccc(c3)OCC2)n1 1875241141 PEDGRPVPLPIOFF-RPWUZVMVSA-N 550.685 2.630 0 50 KFAA O=C1NCCCN(C(=O)c2ccc(-n3ccnc3)cc2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2100533163 CQEMHSNNPKDTOS-JCAOREMYSA-N 524.625 2.561 0 50 KFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCCOc4cccc(c4)-c4nccn4CCCNC(=O)[C@H]([C@@H](C)O)NC(=O)C3)c2)n1 2100533662 DEVHBNRLCZXRPJ-NJHZRGNWSA-N 627.746 2.709 0 50 KFAA C[C@@H]1NC(=O)CN(C(=O)c2ccccn2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356135825 UYTAIGDDTDKDFE-NRFANRHFSA-N 553.623 2.872 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccc(SC)cc1 1168191 SDPYISVDFDDGSQ-HVQRGMKJSA-N 525.652 2.950 0 50 KFAA Cn1c(=O)c2c(nc(N3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2Br)n(C)c1=O 55556867 IWAYNVOEECVYJJ-UHFFFAOYSA-N 523.435 2.567 0 50 KFAA biogenic CCOC(=O)C1=C[C@H]2C=C[C@@H]([C@@H]1C(=O)OCC)[C@@H]1C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@@]21OCC 254308784 RXNVFICWEXYGQG-ULDAJCLKSA-N 646.686 2.722 0 50 KFAA COc1ccc([C@@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)nc3ccccn3c2=O)cc1 2049512068 ZCZCUFYLFSCTPI-OAQYLSRUSA-N 500.559 2.506 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(C3CC3)no2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100532866 GDUIGCZOHLOOCN-XMMPIXPASA-N 548.644 2.988 0 50 KFAA CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 3941829 MLBVMOWEQCZNCC-OEMFJLHTSA-N 585.616 2.520 0 50 KFAA fda CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 245225650 AUZCUOOUVRHFOF-LCWAXJCOSA-N 559.412 2.759 0 50 KFAA Cc1cc(C)c2[nH]c(C(=O)N3C[C@@H]4C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc3ccccc3)C(=O)NCc3cn4nn3)c(C)c2c1 952856001 AGQLCDOJAFYEQE-WHENYANWSA-N 624.746 2.639 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)CCCc2ccc(F)cc2)CCCNC1=O 1704323613 WXRLKPPFTJEPFZ-YIHZDXAJSA-N 623.770 2.650 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ncc(F)cc2F)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772707346 PZQIJBGCFZLRSR-NOUQMAPCSA-N 698.772 2.710 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(Cc1cccc(O)c1)CCCCNC2=O 1857689173 NAMANILZIOJWJB-ADRJNJHWSA-N 719.836 2.850 0 50 KFAA CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)OC 64858759 MIYHBYLJVGQRLI-XORGOJJVSA-N 637.796 2.919 0 50 KFAA in-vitro O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1 96561994 UNKUQGPJSAFXHQ-PMACEKPBSA-N 501.370 2.575 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1scnc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857072 WMLNKTZGSMTYSR-MHZLTWQESA-N 645.786 2.996 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)Cn3nc(C)cc3C)CC(=O)N1CC2 1704316370 NQFFTFIQICKRME-SSEXGKCCSA-N 548.640 2.929 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(CC=C(C)C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704324407 ORDCSIYHWPQIAO-VCTRFXNDSA-N 585.790 2.669 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(-c3ccccc3)on2)CCNC(=O)COc2cccc(c2)C1 1775978162 BVZPWNWSCKCIRI-YTTGMZPUSA-N 606.676 2.627 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(Cn3cccn3)o2)CCNC(=O)COc2cc(ccc2OC)C1 1857705104 SOQACIPLKZFHFD-UUWRZZSWSA-N 649.745 2.973 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OCC 2889295 VGIYQIIFSMGWLK-WDONWYDGSA-N 552.605 2.669 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCn3cccn3)c(=O)cc1[C@@H](NC(C)=O)CC2 888088713 NKYMKCATLQKJIY-JTSKRJEESA-N 549.628 2.676 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCC3(C)CC3)C[C@@H]1NC2=O 1704321587 ASGUYMAHKDNBEI-URXFXBBRSA-N 507.587 2.672 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)c3c(C)noc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1800430303 INJVEDIUIIVFQJ-GWNOBINISA-N 780.945 2.584 0 50 KFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc(n2)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1875241398 CQZMPONTBMKSFF-AZGAKELHSA-N 704.810 2.895 0 50 KFAA CO[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC)[C@H]1NC(=O)c1ccccc1 4565689 AQQYYMVCHAXJFN-VYZOEPQYSA-N 518.566 2.827 0 50 KFAA O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(c3cncc(C(=O)N4CCOCC4)n3)C[C@@H]2N1 952856548 MJRZATOMNZWHEX-VMPREFPWSA-N 584.677 2.610 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3ccccc3Cl)CC2)C(=O)N[C@H]1Cc1ccccc1 952857696 RIJJCOAFWOJLTN-DEOSSOPVSA-N 535.048 2.644 0 50 KFAA COc1ccc2cc1OCCN(Cc1ccnn1-c1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704312774 ZFSFQBIIFRFUNF-GDLZYMKVSA-N 571.682 2.896 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857709768 QJGLEAPLCFCDQQ-NKPXBTBWSA-N 788.884 2.507 0 50 KFAA Cc1cc(-c2ccc(S(=O)(=O)N3CCCNC(=O)CC[C@@H](c4ccccc4)CCNC(=O)C3)o2)on1 1875240964 LQAOFCRVNRXHOU-HXUWFJFHSA-N 514.604 2.824 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1OC 2261126 SYAXXAMPJGGDMZ-RKKARLDVSA-N 503.580 2.544 0 50 KFAA CCn1nnc2c(N3CCOCC3)nc(-c3ccc(NC(=O)Nc4ccc(C(=O)N5CCN(C)CC5)cc4)cc3)nc21 49745945 ZAXFYGBKZSQBIV-UHFFFAOYSA-N 570.658 2.776 0 50 KFAA in-vivo COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cccc(S(C)(=O)=O)c3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772703912 GMXHQHLGZMQYMG-CUQACYHPSA-N 803.979 2.834 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1c[nH]c(=N)nc1-c1ccccc1)CCCCNC2=O 1857698240 ZBVPKFJSTBMWPU-NLPVGWCVSA-N 810.909 2.654 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(CCn3cnnc3C)CC[C@H]1OCc1cccc(c1)O2 952857840 WFBDPCKHVCXSPP-RRPNLBNLSA-N 548.644 2.639 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cn2ncc3ccccc32)CCNC(=O)COc2cc(ccc2OC)C1 1857699285 LBANVLNPBGDGCB-UMSFTDKQSA-N 633.746 2.871 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(Cc2cnn(C)c2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857711177 LSHQEEMNLGLBMF-MHZLTWQESA-N 556.671 2.817 0 50 KFAA O=C1CN(C(=O)CCc2nc3ccc(F)cc3[nH]2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740057 FZIZRNNPDCOIER-LJAQVGFWSA-N 667.746 2.819 0 50 KFAA COc1ccc(-c2oc3cc(C)oc(=O)c3c2CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)cc1 2049513388 MZUYKIAIOSNJOK-UHFFFAOYSA-N 501.495 2.732 0 50 KFAA COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 97956667 AFQGZOMSSIQDMD-PYYPWFDZSA-N 587.629 2.847 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CCNC1=O 952861638 GGFVUZDDHHOLSF-HHHXNRCGSA-N 619.698 2.582 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCc3nc4ccccc4s3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704328697 NGDAZRQTSKOOKS-FQYQUSJJSA-N 692.883 2.984 0 50 KFAA Cc1nc(CC(=O)N2CCNC(=O)c3ccc4nc(CC(C)C)n(c4c3)CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)C2)cs1 1775983118 SBURLRWDYHWMHG-HLADLETHSA-N 714.893 2.553 0 50 KFAA CCN1CCN(C(=O)c2cn(C)cn2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857725705 JBUZMZRBACMWEZ-OAQYLSRUSA-N 593.729 2.695 0 50 KFAA CCN1CCN(C(=O)c2nnc3n2CCCC3)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875241983 IKXFRGAZLJVJLL-JOCHJYFZSA-N 634.782 2.889 0 50 KFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=S)N1 1126857 IGEQAIAGHVLKPM-KRWDZBQOSA-N 547.415 2.690 0 50 KFAA COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225415776 STWONHBMCAIVMR-LQWHRVPQSA-N 566.607 2.847 0 50 KFAA biogenic CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)CCc2c(C)nn(C)c2C)CCNC(=O)COc2cc(ccc2OC)C1 1775978808 VVQHTKRJSPKJGS-UUWRZZSWSA-N 639.794 2.804 0 50 KFAA Cc1c(NC(=O)CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N2C3)cnn1C 1857740575 KRAIFPXZWKSYSY-SYZPNSHSSA-N 514.715 2.947 0 50 KFAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCNC(=O)C1 1875240592 DQPVYFUIYXASPO-LJAQVGFWSA-N 623.714 2.669 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(c2ncnc3[nH]cnc23)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2100533237 HDQBKKGOUYDZNS-DEOSSOPVSA-N 580.653 2.754 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772714451 RDTISTYXYUCQJC-VWLOTQADSA-N 611.659 2.780 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3nnc4n3CCCCC4)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1800430752 XPIGGTXKDGRRGF-LPIXWXTCSA-N 784.959 2.748 0 50 KFAA O=C(NCCSc1nnnn1-c1ccccc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 2869009 ZORGLYUARONAAG-FQEVSTJZSA-N 526.669 2.748 0 50 KFAA COc1ccc(/C=C/C(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)cc1 12167860 BLJAERYQAZPFJX-BPWUHNBSSA-N 506.647 2.642 0 50 KFAA COc1cccc2c1ccn2CCNC(=O)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(C)C 225414344 BXCSFDALFCFWEX-GOHWNWGWSA-N 505.619 2.781 0 50 KFAA biogenic CCOC(=O)c1oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 245391974 SFBDPQSPXMSRAI-IQAFJYKPSA-N 647.611 2.555 0 50 KFAA COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 263586621 WFKHUKHQHCPQFL-OYKDXHIPSA-N 586.645 2.805 0 50 KFAA biogenic O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704321308 IKADTXQFPBBKPN-VMPREFPWSA-N 662.191 2.991 0 50 KFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817996 WHAJRAYGEBJFMP-FIPFOOKPSA-N 674.784 2.975 0 50 KFAA COCC(=O)N1CC(=O)N[C@H](Cc2ccccc2)c2nc(cs2)C(=O)N[C@H](C)c2nc(co2)C(=O)N[C@H](CC(C)C)C1 2356136589 AIFCJIVZVFCPLI-HMXCVIKNSA-N 596.710 2.655 0 50 KFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 247804995 YQTIPJSYUMZZNU-YBCDPXEJSA-N 992.089 2.580 0 50 KFAA COc1ccc2c(C)c(C(=O)N3CCCNC(=O)CN(C)C(=O)c4nn(C)c5c4C[C@@H](CC5)N(CCC(C)C)C(=O)C3)oc2c1OC 1875242336 NPSGRAQPISOISS-JOCHJYFZSA-N 650.777 2.958 0 50 KFAA CN1CCC(c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)CC1 1875386921 FFRSCSKKUQNBQY-UHFFFAOYSA-N 508.648 2.764 0 50 KFAA O=C1CCc2cc(OC[C@@H](O)CNc3ncc(C(F)(F)F)cc3S(=O)(=O)N[C@@H]3CCSC3)ccc2N1 2325822992 ATDKHBHTMSZLBC-CVEARBPZSA-N 546.593 2.621 0 50 KFAA Cn1c(=O)[nH]c(=O)c2c1nc(SCCSc1nc3c(c(=O)[nH]c(=O)n3C)n1CCc1ccccc1)n2CCc1ccccc1 5313219 FMQOUCPNUBQDPQ-UHFFFAOYSA-N 630.756 2.530 0 50 KFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253487754 PORLQGCIBQPFNX-NTQNHHJNSA-N 606.665 2.523 0 50 KFAA COc1cc([C@@H]2C3=C(O)[C@@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)[C@H](C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O 888088516 DGZDVTZNWZYDJB-XERWKDHVSA-N 667.071 2.711 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)C(C)C)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857704982 NHROBRMBTXURKB-OLILMLBXSA-N 564.683 2.559 0 50 KFAA COc1ccc(CN2CCCC(=O)N(CCc3ccccc3)CC(=O)N[C@H]3CCc4c(c(nn4C)C(=O)NCC2)C3)c(OC)c1OC 1875240942 KCQXNFHOEOIENN-SANMLTNESA-N 646.789 2.517 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(Cc4nccn4C)C3)CN1C(=O)CC2 2356137141 GXWTZIHJRUMMGD-CAOCKLPOSA-N 537.705 2.952 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(C(=O)CSc2ccccc2)CC(=O)N(Cc2ccc(OC)cc2)C1 14538459 UDPRAGSSUFVIFX-HSZRJFAPSA-N 513.660 2.912 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2N(C)C(=O)c2cccs2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704341984 APOCGNIRZYNEOP-WYXIPTDCSA-N 855.031 2.629 0 50 KFAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(C)(=O)=O 1118957 WFGLWFJFKLKCBF-UHFFFAOYSA-N 502.014 2.538 0 50 KFAA Cc1ncn(C)c1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817540 OLJXZTYKVLDGCD-RDPSFJRHSA-N 618.720 2.586 0 50 KFAA COc1ccc2cc1Oc1cc(F)cc(c1)CNC(=O)C1(CCN(CC(N)=O)CC1)Oc1ccc(cc1)OCCNC2=O 1772818338 QLOMUBLPVCAFKL-UHFFFAOYSA-N 592.624 2.764 0 50 KFAA NS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)C1=O 2325879390 TZLNWPJAKYYUNA-LTZNNNPDSA-N 571.606 2.687 0 50 KFAA O=C1NCCCN(C(=O)COc2ccccc2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 2356134908 IEPJPUOCILLCBI-ZWWHJUMASA-N 502.615 2.530 0 50 KFAA Cc1ncoc1C(=O)N1CCCCN(C(=O)CN2CCOCC2)CCCOc2cccc(c2)-c2nccn2CC1 2356138373 KTKLFPLPDUGRRJ-UHFFFAOYSA-N 550.660 2.712 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100839448 IXAHKWYURUTROV-ITIZVALFSA-N 550.589 2.658 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cncc(C)c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772700810 FROGFGMSUZWYRT-XNSHOJTPSA-N 676.819 2.740 0 50 KFAA CCCCc1nc(CN2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)c(Cl)[nH]1 1772713839 TZEJTHWAGYYUBQ-OXVGDENJSA-N 711.312 2.763 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cc2cc(C)no2)CCNC(=O)COc2ccc(cc2OC)C1 1800430536 QAZDPQBNJLNTBD-YTTGMZPUSA-N 614.740 2.996 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(Cc2ccncc2)CCCNC(=O)COc2ccc(cc2)C1 1857708569 APWVETOBHDWXSZ-SSEXGKCCSA-N 554.688 2.507 0 50 KFAA CCc1ccc(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 12191054 DPLMSWXDVIVRJK-RSXGOPAZSA-N 520.609 2.931 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccc(Cn5ccnc5)o4)C3)CN2C1=O 2100533831 HJTXNJRMCIYTFS-RXAJMNEQSA-N 600.720 2.620 0 50 KFAA CCOC(=O)C1=C(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)NC(=O)N[C@H]1c1ccco1 138422166 CLUHICJZVKADJI-DEOSSOPVSA-N 545.614 2.801 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCc2cnccn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775978873 QGKYKRNJIVVMKP-CUNXSJBXSA-N 630.731 2.653 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCC(=O)Nc1cccnc1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848442541 ACUXQUJAURDIOB-MULYJWFTSA-N 554.651 2.901 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(Cc2nccn2C)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704318726 QHAPOVSNOLAENH-AIJYVZMASA-N 659.832 2.718 0 50 KFAA CCOC(=O)c1[nH]c(C)c(C(=O)N2CCCNC(=O)c3ccc4nc(O)n(c4c3)CCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC2)c1C 1775977816 MMKDIQSNUWHDNB-MMTVBGGISA-N 665.792 2.957 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702866 RRNFFIGGFUCUOE-QCWAUVNRSA-N 703.804 2.999 0 50 KFAA COc1nc2c(cc1CN1CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C1)C(=O)N(C(C)C)C2 1875239997 COACWOCECOWMAT-QFIPXVFZSA-N 521.662 2.847 0 50 KFAA O=C(N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1nc(=NCc2ccco2)[nH]cc1Br 1875350891 DPWCJRXAPXIGHS-AWEZNQCLSA-N 507.711 2.691 0 50 KFAA Cc1ncnc(C)c1C(=O)N1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CN(Cc2nn[nH]c2-c2ccccc2)CCCO4)C1 2100533871 JIUYPAZOLJPCLL-OGVWKLGRSA-N 608.703 2.898 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325901815 ZWMSCRNDPWZAHL-IZZNHLLZSA-N 586.670 2.819 0 50 KFAA COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCN2CCOCC2)cc1 59758358 UURTUCQCKHQWEB-OAQYLSRUSA-N 531.034 2.790 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCS(=O)(=O)N(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 263585619 KTPKDSJOFZSMED-ZCYQVOJMSA-N 632.780 2.697 0 50 KFAA biogenic CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccc(OC)cc1 605706290 GAZDXIGXYWVWQX-FLIZMYTOSA-N 643.774 2.715 0 50 KFAA biogenic CCn1nc(CC(C)C)cc1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](c2ccccc2)C1 1704324788 UEFDCEUAAPNUAB-NIROIHTJSA-N 756.949 2.635 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3nccs3)C[C@@H]1NC(=O)CC2 1772714452 RDYRDUUPPGEMHJ-URXFXBBRSA-N 522.627 2.541 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cc4c(nc3OC)CN(C(C)C)C4=O)C[C@@H]1NC(=O)CC2 1772817597 FTPSMCQQCVLBTK-IZEXYCQBSA-N 643.741 2.852 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CCC(=O)NC1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857726221 JTRWABFGHGATOM-XMMPIXPASA-N 545.640 2.627 0 50 KFAA C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCN1c1ccc2nncn2n1 1875352103 UDOHJHNBBDYPOZ-INIZCTEOSA-N 588.572 2.620 0 50 KFAA O=C(Nc1ccc(-c2n[nH]c(Cc3cccnc3)n2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1875386932 FOYMUDDPROWIMJ-UHFFFAOYSA-N 502.600 2.940 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1Cc1noc(CC(C)C)n1 2100533577 VNQLBAMBYIWWST-FCHUYYIVSA-N 527.666 2.820 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4ccccn4)C3)CN2C1=O 2100533583 VRFHFCMMFWSBOB-HWFPEDPKSA-N 517.674 2.537 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4nn[nH]c4-c4ccccc4)C3)CN2C1=O 2100534141 VPUBLNWEOLUGPX-IQNWVZJMSA-N 583.737 2.927 0 50 KFAA COC(=O)c1cccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)c1C 1119890 JIUCLXWMVXFTFS-UHFFFAOYSA-N 502.330 2.791 0 50 KFAA O=C(O)CCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCCCC(=O)O)ccc1-2 100726986 KOMJGVIANLPDHB-UHFFFAOYSA-N 566.654 2.745 0 50 KFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15C[C@@H]1[C@H](C[C@@]35[C@H]42)C1(Br)Br 254840929 KDSIPDSSIYSVPH-IMFCGEDYSA-N 503.194 2.914 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)[C@H]2CCCO2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857704065 CCENMUDKHJWGRS-BBESQXMOSA-N 713.880 2.965 0 50 KFAA Cc1c(-c2cc(C(=O)N3CCCC(=O)N(CCC(C)C)CC(=O)N[C@]4(CCCc5ccccc54)C(=O)NCC3)no2)cnn1C 2356136021 CZELKVRYQZERNN-XIFFEERXSA-N 617.751 2.958 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1=O 2356137389 LWWGEZOEKXQEHU-UUWRZZSWSA-N 617.747 2.617 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1cccs1 100805459 ZRQWIVXUGDLUOS-JGZDWKDESA-N 526.592 2.710 0 50 KFAA COc1cc2ccc1OCCCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CCCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCc1nc-2oc1C 1775978314 RFYKPPCWTFCTQY-MHZLTWQESA-N 711.776 2.586 0 50 KFAA COC(=O)CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(I)cc1 1185401 ZHYMSZLEEQZWLC-INIZCTEOSA-N 523.352 2.795 0 50 KFAA CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@H]4[C@@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@@H](OC(C)=O)C2)[C@@H]1O 257347030 NTCQLIABTKPIND-SIDSJHFSSA-N 592.726 2.652 0 50 KFAA COCc1nc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)no1 952865749 RSTZLRWAGHRWNQ-XZOQPEGZSA-N 535.601 2.678 0 50 KFAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCCNC(=O)[C@@H](C)NC(=O)c4ccc(C)cc4OCCCn4cc(nn4)C3)CC2)c1 1704328041 WRRAUDOHFCJSAB-XMMPIXPASA-N 675.787 2.592 0 50 KFAA CCCCn1c(CN2CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)N[C@H]3CCO[C@H](C2)[C@H]3O)nc2ccccc21 1704339696 XAXARUTWOZTFGW-KRRCBNMRSA-N 729.923 2.536 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2c(C)nn(C)c2C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714187 DWXCUFDJOQUNQP-RIDNUJAISA-N 721.904 2.706 0 50 KFAA CS(=O)(=O)N1CCC(c2cn(Cc3ccccc3C(=O)N3CCc4c(C(=O)O)ccc(F)c4C3)nn2)CC1 1875325078 QHXCXEICNKQFLY-UHFFFAOYSA-N 541.605 2.501 0 50 KFAA O=C(Nc1nc(CC(=O)N2CCn3c(nnc3-c3cccnc3)C2)cs1)c1ccc(Br)o1 1875352025 QOJPCRNZICXQNA-UHFFFAOYSA-N 514.365 2.989 0 50 KFAA Cn1cc(C(=O)N2CCC(C[C@H]3CC(=O)NC3=O)CC2)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 2325878512 RYQDHWIODWVSLV-YADHBBJMSA-N 521.618 2.841 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c(C)noc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952856808 BOUJRMWCXAWASX-SANMLTNESA-N 615.691 2.516 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3c[nH]nc3C(=O)O)C[C@@H]1NC(=O)CN(C)C2=O 952857186 QLDDZUXARJYHIQ-XZOQPEGZSA-N 533.585 2.570 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)CCCN(C)C)C[C@H]2C(=O)N1 1704321479 QFTFHPKRUZGCDI-VTOMIKQJSA-N 580.774 2.584 0 50 KFAA COC[C@@H](NCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O)c1ccccc1 2325900000 HKHVTQPVSBAZAY-YADHBBJMSA-N 520.586 2.564 0 50 KFAA COc1cc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)O 2865660 ZWZYMIYZZHSEOS-UHFFFAOYSA-N 536.540 2.702 0 50 KFAA Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc3cc(-c4ncc(C(=O)O)o4)oc3cc2N(CC(=O)O)CC(=O)O)c1 4517624 YFHXZQPUBCBNIP-UHFFFAOYSA-N 641.542 2.503 0 50 KFAA in-vitro COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2cc(OC)ccc2[nH]c1=O 225424827 IRTVZTYJZUQJRR-LZNRXBQRSA-N 573.602 2.672 0 50 KFAA biogenic COc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1C(=O)NCCCCN(Cc1cnc(C)nc1)CCCN2C(=O)CC(C)C 1704339025 MTPCNSXKQVWWOD-NSOVKSMOSA-N 578.758 2.983 0 50 KFAA CC(=O)Nc1ccccc1SCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N1C2 2100532963 OUENJNXQTPUXKF-IAAUAWTHSA-N 619.788 2.829 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCc1ccc(F)c(F)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321671 UWBSBKBIUBACNY-MUUNZHRXSA-N 583.636 2.948 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCc3ccncc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713987 WAWOHGVSTNLMJQ-VMPREFPWSA-N 570.646 2.900 0 50 KFAA O=C(N[C@@H]1CCCN(C(=O)[C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)C1)c1ccc(Cl)cc1 2325843402 DRCAMEIUJDRSJJ-QAPCUYQASA-N 516.929 2.810 0 50 KFAA CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C 169292837 VWAMTBXLZPEDQO-UZSBJOJWSA-N 777.050 2.681 0 50 KFAA biogenic,in-man O=C1N=C(O)N(CCc2ccccc2)C(=O)[C@]12Cc1c(nc3ccccn3c1=O)N1CCc3ccccc3[C@H]12 229974440 ROBDMYVWVHBFNT-NGQVCNFZSA-N 519.561 2.866 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(Cc2cnc[nH]2)CCCCNC(=O)[C@@H](C)NC1=O 1704336611 YVAXZTMKFASSSH-NRSKXHDUSA-N 615.779 2.699 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2ccn(C)c(=O)c2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857706755 PQYQVCFVMJUKBT-XYPLQDTNSA-N 750.901 2.799 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(c3noc(C4CCC4)n3)C[C@@H]1NC2=O 2356162555 NBZLMLJQUSIZIW-FCHUYYIVSA-N 551.575 2.950 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 1867875 DLSPLPMEQWNOHK-QQYUXEJHSA-N 569.595 2.957 0 50 KFAA Cc1cc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)ccc1Br 13896559 SRMXOWKQSZZCKF-UHFFFAOYSA-N 504.428 2.558 0 50 KFAA CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(OCc2ccccc2)cc1 59612668 JDZBFKOBZPPSRC-UHFFFAOYSA-N 559.666 2.691 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3nn[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2 409413673 QUSSTJDKFMTKAS-CTNGQTDRSA-N 565.631 2.841 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2ccc[nH]2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322992 RRELUKRVJVOZKX-VCITYQBUSA-N 658.800 2.952 0 50 KFAA COc1ccc2cc1OCCN(Cc1c(F)ccc(OC)c1F)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704316357 NJEXUXZTBWLDFN-HHHXNRCGSA-N 571.625 2.997 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(Cc1cccc(-n3cccn3)c1)CCCNC(=O)[C@@H](C)NC2=O 1704323842 HFXCDMGSPYWNAT-HSZRJFAPSA-N 556.671 2.882 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)c1ccc[nH]1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356137158 HNWLIJDCWWOHGI-LPTQZCDUSA-N 569.688 2.982 0 50 KFAA COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)C(=O)COC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257350173 VHUKGPDDOKOJMT-QGFKLXRRSA-N 708.798 2.971 0 50 KFAA COc1ccc2cc1OCCN(C(=O)Cc1ccccc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322038 DILROPUYLQHQTK-MUUNZHRXSA-N 547.656 2.588 0 50 KFAA CCCCS(=O)(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc(n2)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1857725633 GQPBVJOGETYLLH-LADGPHEKSA-N 614.725 2.583 0 50 KFAA CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 2063861 MQOXVASIPDLESE-FEYWKWKCSA-N 517.607 2.934 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 60272903 PAJWAARTNUUTKR-MSKCEUEBSA-N 615.202 2.979 0 50 KFAA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426545 NQOPXAFKSVKFNL-KPFFTGBYSA-N 550.564 2.559 0 50 KFAA biogenic COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)C3CCN(C(C)=O)CC3)CC(=O)N1CC2 1704321293 HIIWJFXTJHDGJI-SSEXGKCCSA-N 565.667 2.674 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)Cc2cccs2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713109 DMLCZAWXNBCZAV-GBXCKJPGSA-N 632.747 2.718 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(CC2CCOCC2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533122 BBRPTPRMWPEHLQ-RUZDIDTESA-N 511.667 2.708 0 50 KFAA COc1ccc2cc1OCCN(C(=O)Cn1ccnc1)CCCCN(C(=O)[C@H]1CCCO1)CCCn1ccnc1-2 2100533766 ZGZUWVZAQIPMTR-RUZDIDTESA-N 550.660 2.854 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(Cc1c(F)cccc1Cl)CCNC2=O 2100534136 VIZKTSZVHBZFHN-QFIPXVFZSA-N 619.182 2.932 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1615696766 RWOIHYBYLVAFRA-IZLXSDGUSA-N 619.719 2.798 0 50 KFAA Cc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)n(C)n1 1616095115 ZVNACLYVLGWODC-VPUSJEBWSA-N 545.640 2.842 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2ccns2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775981517 LTMZJGHNAGIHBX-LITSAYRRSA-N 711.849 2.687 0 50 KFAA O[C@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)COc1ccc(I)cc1 2325861139 GSRQDLZXQPFSQT-QGZVFWFLSA-N 507.328 2.982 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCc1ccccc1-n1cccn1)C2 1857704481 TYSDKBAGBSCABX-XIFFEERXSA-N 602.736 2.521 0 50 KFAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2ccc(-c3noc(C(C)C)n3)cc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952864150 LYQPCTJHMANYLT-BBKBELTISA-N 747.894 2.737 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cccc3c2CCC3=O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980885 KJLVKROXZFEVOI-JRPXNJEYSA-N 630.746 2.964 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(-n3cccn3)ccc2Cl)CCNC(=O)COc2cccc(c2)C1 1775981631 BMKJKGMVKNPHJA-JGCGQSQUSA-N 640.137 2.812 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cnc(C)nc2-c2ccccc2)CCNC(=O)COc2cccc(c2)C1 1857702381 LENXUVYVEKOJRR-UMSFTDKQSA-N 631.730 2.738 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(c1ncnc3[nH]ccc13)CCNC2=O 1875239826 BMWCMHLZCZAEDE-LJQANCHMSA-N 581.637 2.731 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(Cc3ccoc3C(=O)O)nn2)c1 1875325285 VECWQODDVHIUIS-UHFFFAOYSA-N 541.561 2.550 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1ncc[nH]1)CCCCNC2=O 1857707764 ZUCXVTQGRBZWMD-HHHXNRCGSA-N 606.680 2.642 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N3CCN(c4ccccn4)CC3)cc(c1)-n1ccnc1-2 1857725814 OCAQPYJUOQPUDO-UHFFFAOYSA-N 524.581 2.914 0 50 KFAA Cc1ccc(F)c(NC(=O)CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)c1 2100534056 RLLSPWNPVLPJON-OKJQECNTSA-N 577.701 2.638 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2csc(C)n2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980086 SSNQFHNIVXCXFX-PPHZAIPVSA-N 611.769 2.529 0 50 KFAA CC(=O)N1CC[C@@H](n2cc([C@]3(O)CCCN(C(=O)c4ccc(NC(N)=O)cc4)CC3)nn2)c2ccccc21 2325853230 IZWVBTJPOASBIH-KCWPFWIISA-N 517.590 2.629 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)CCCn1nnc(-c3ccc(F)cc3)n1)CCCNC2=O 2356134766 BIZAQJKPIFUOPA-PMERELPUSA-N 676.754 2.723 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CN(C(=O)CCCn1cncn1)CC(=O)N[C@H]2C(C)C 2356135971 ARWCSFHQXHXMIW-LXHIVTORSA-N 661.789 2.999 0 50 KFAA O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c34)C2=O)n1-c1ccccc1)N1CCN(CCO)CC1 38154860 JJAYFZJFTVCLAQ-UHFFFAOYSA-N 584.702 2.878 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1F 100657265 LTOZIPKEOGLEJO-CCDWMCETSA-N 544.693 2.568 0 50 KFAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc3nc(C)c(C)nc3c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952856599 BUGISWQVRQAGPP-OAEGHTPASA-N 761.921 2.522 0 50 KFAA Cc1cccn2cc(C(=O)N3CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)c4csc(n4)[C@H](CC(C)C)NC(=O)C3)nc12 1704324239 ZMIOXPKDBMUWBV-JPHFWNGBSA-N 796.955 2.703 0 50 KFAA CC(=O)OC1=C(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C(CO)=C[C@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C 1772820330 HTILKAOQIFDEET-KLRDODJSSA-N 594.654 2.596 0 50 KFAA NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCN3CCCC[C@@H]3CCc3cccc(c3)OCC2)cc1 1857705241 ZEUFIFMSGOBVPZ-JOCHJYFZSA-N 521.705 2.985 0 50 KFAA NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)cc1 1857705242 ZEUFIFMSGOBVPZ-QFIPXVFZSA-N 521.705 2.985 0 50 KFAA COc1ccc([C@H](CC(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)c2c(O)nc3ccccn3c2=O)cc1 2049512024 MCJFKFQHFLPIBV-NRFANRHFSA-N 543.555 2.905 0 50 KFAA Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 59749649 LSEDSCFHWZWNFK-UHFFFAOYSA-N 547.630 2.989 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)c3cnc(N)s3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1615711920 VIFZNYFJGBEPQM-PKTZIBPZSA-N 549.653 2.838 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(S(=O)(=O)N2CCC(C)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322648 NNUDRFSJWZRSFV-UAEGVTNASA-N 726.941 2.761 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc4c(cc3C)OCCO4)C[C@@H]1NC(=O)CC2 1772713281 IPFDATIKTXYVDQ-QCDSWUKFSA-N 601.656 2.804 0 50 KFAA COc1ccc(CCCC(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1 1772713820 TVFCOHICPIEUBX-LUXHBGHRSA-N 702.857 2.538 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccccn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817698 QFCNQCQUIISTSJ-OFVILXPXSA-N 601.689 2.939 0 50 KFAA CS(=O)(=O)N1CCC(c2cn(CCCCCCC(=O)N3CCc4c(C(=O)O)ccc(F)c4C3)nn2)CC1 1875324625 GDAXOEUYMLKWOT-UHFFFAOYSA-N 535.642 2.790 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)c1 2325899148 QUKVPIPQMMDZDR-UIOOFZCWSA-N 586.670 2.819 0 50 KFAA Cc1ccc(SC2CCN(C(=O)[C@@H]3Cc4ccc(cc4)OCC(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](C)C(=O)N3)CC2)cc1 952856278 WLBRSSGFLCTMFG-XBDRXADTSA-N 677.868 2.835 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc(O)cn2)CCCCNC(=O)[C@@H](C)NC1=O 1704325145 JLBYSUYRFKHARS-XGJRVREISA-N 656.784 2.716 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1nn(C)c3ccccc13)CCCNC2=O 2356133960 PIGTYSCMHPNAMV-MHZLTWQESA-N 602.696 2.650 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1ccc(C)o1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952857276 QTKJYHIAORXAOH-HAFIXEQPSA-N 667.808 2.580 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cccc3c1COC3)CCCNC(=O)[C@H]1CN(C(=O)c3cc(C)on3)C[C@H]21 1875240016 DOIMISGRWYZGJT-RPWUZVMVSA-N 574.634 2.919 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cccnc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940196295 ZLSOXYDAFMQOIM-XMMPIXPASA-N 518.618 2.517 0 50 KFAA Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCc3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)=[N+]1[B-]2(F)F 2325870366 UPTRTXQWDUWCLJ-XMMPIXPASA-N 589.408 2.636 0 50 KFAA COc1ccc(CCn2c3c(c(=O)[nH]c2=S)[C@](NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(=O)N3)cc1OC 150351289 HOQSWFFJSBRSGZ-XMMPIXPASA-N 627.623 2.812 0 50 KFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)CCCC(=O)NCCO2 1857698729 GFWBDXBDUKOWGS-UHFFFAOYSA-N 507.566 2.994 0 50 KFAA CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC 97962752 WUYXXWYJGDCKBC-YXDQGSNCSA-N 552.605 2.749 0 50 KFAA COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)nn1 100299436 NRJOLGPLCLPURG-LFYBBSHMSA-N 529.600 2.830 0 50 KFAA CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21 244692014 JMXRYIGHKWRUFH-NQUMPDGRSA-N 586.553 2.524 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cnc(C)n3C)C[C@@H]1OCc1cccc(c1)O2 952862040 FMDMPQNYHLIQRJ-VMPREFPWSA-N 592.697 2.748 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccc(O)nn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952864827 MHGFHFYHKJDKHY-SVBPBHIXSA-N 573.650 2.614 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)[C@H]3CC[C@@H](O)CC3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324432 QCPVQHFKIAJDIW-GXLFFQMRSA-N 816.013 2.501 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2ccccn2)CCNC(=O)COc2cc(ccc2OC)C1 1857702427 AVPBPCAUSQSOEK-HKBQPEDESA-N 566.699 2.890 0 50 KFAA O=C1CN(C(=O)c2cccc3c2CCC3=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740116 IUTLZNUXECNKLT-LJAQVGFWSA-N 635.725 2.613 0 50 KFAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCCN(C(=O)[C@H]2CCOC2)CCOc2cccc(c2)-c2nccn2CCC1 2356140201 YKOWUEGYBXONOW-SANMLTNESA-N 614.707 2.861 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(C(=O)[C@@H]3COC(=O)N3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772818190 OUAANURKHMUEGJ-SANMLTNESA-N 660.680 2.783 0 50 KFAA CCn1cc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cn1 1857690792 LPYHZKPFXKQQQS-OFVILXPXSA-N 618.720 2.760 0 50 KFAA COc1cccc(CN2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)c1OCCN1CCOCC1 1875239893 RGKOVLUKGKSJJZ-AREMUKBSSA-N 552.716 2.798 0 50 KFAA Cn1[nH]c([C@@H]2CCCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1=N 2325869706 YLELKEQJDWZAKW-VWNXMTODSA-N 518.643 2.677 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1=O 2356137387 LWWGEZOEKXQEHU-UMSFTDKQSA-N 617.747 2.617 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 8425252 NZNPVZQLGSKPST-DJTCXORXSA-N 578.599 2.574 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(C/C=C/c3ccccc3OC)C2)nn1 102654749 KSLADKQCPJBCJM-AEWUFUQXSA-N 548.619 2.890 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cnn(C)c2)C[C@@H]1C 888089108 IDCCBECPARKLKG-HTQWOMLDSA-N 567.986 2.572 0 50 KFAA CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccc(Br)cc2)C1=S 15799207 COMJLDPRADDWJG-SFHVURJKSA-N 503.422 2.661 0 50 KFAA COC(=O)[C@]12Oc3cc4c(c(O)c3C(=O)C1=C(O)CC[C@@H]2O)[C@H]1C=C[C@@]2(C4)C(=O)c3cc(C)cc(O)c3C(O)=C2C1=O 230076557 KIWTVJVARRPBPR-SMSQPHORSA-N 572.522 2.791 0 50 KFAA biogenic Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCn3cccn3)C[C@@H]1NC(=O)CN(C)C2=O 952863736 CJMZHUARHBKLSS-AHWVRZQESA-N 531.613 2.762 0 50 KFAA CCc1ncc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)cn1 952863986 UVDFWNDJDIJOHM-SVBPBHIXSA-N 589.693 2.954 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(S(=O)(=O)Cc2ccc(F)cc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533900 KOGPDAXAICYVHS-AREMUKBSSA-N 585.702 2.951 0 50 KFAA C[C@H](O)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O[C@@H](C)Cc1cc(O)cc(O)c1 2332925149 VBVVLENGSKTSOM-MWDXBVQZSA-N 534.558 2.864 0 50 KFAA CCOC(=O)[C@]12C(C)=C[C@](C)([C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]12 245231345 BVJDYHYRDSMKSB-UYMCHBLESA-N 614.607 2.978 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 252548588 QEGVMYVOHMNRJM-NJHZRGNWSA-N 672.735 2.786 0 50 KFAA COCCC[C@@]1(C(=O)NCc2cccnc2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705552 MDSSZESFWRLJSQ-YTTGMZPUSA-N 584.677 2.642 0 50 KFAA CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3ncnc4ccc(Br)cc34)CC2)cc1C(N)=O 1875351972 OPJDCFAYCMCFIN-UHFFFAOYSA-N 541.406 2.566 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@H]1CCS(=O)(=O)C1)CCCCN(c1cc(C)nc(N3CCOCC3)n1)CCCn1ccnc1-2 2100533876 JOZQACUBVXOJBL-MHZLTWQESA-N 667.833 2.826 0 50 KFAA Cn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 1444397 AOXWQYQJUTXXOB-UHFFFAOYSA-N 508.387 2.790 0 50 KFAA COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N=C(Nc3cc(OC)ccc3OC)S2)cc(C(=O)OC)c1 17197202 CRSCQZBANANOIQ-GOSISDBHSA-N 501.517 2.716 0 50 KFAA Cc1nc(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n[nH]1 952864785 QJWPHEXNCXRQIW-BJKOFHAPSA-N 546.628 2.535 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cc(CC(C)C)[nH]n3)C[C@@H]1NC2=O 1704321500 QYMJBISBHCDKMF-IGKIAQTJSA-N 533.629 2.687 0 50 KFAA CC(C)CC(=O)N1CCCN(Cc2nccn2C)CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)CCOc1ccccc1 1704339325 IFSYUQPCEPGEHM-BDYUSTAISA-N 566.747 2.836 0 50 KFAA Cc1c(Cl)c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)nn1C 1857711537 FMWILWUTFPIDGV-NUOAGLAWSA-N 734.214 2.807 0 50 KFAA CCc1ocnc1C(=O)N1CCNC(=O)c2ccc(OC)c(c2)OCCn2nc(-c3ccccc3)nc2[C@@H](C)NC(=O)C1 1857724195 PKPBCEDKJGBMIQ-LJQANCHMSA-N 587.637 2.646 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801055 JWTWVAVUQMMSIC-YTZCDUBRSA-N 592.981 2.933 0 50 KFAA biogenic CNC(=O)c1ccc2c(c1)N(C)C(=O)[C@H](NC(=O)[C@@H](CCc1ccccc1)NC(=O)CCc1cc(F)ccc1OC)CO2 2325900401 WZUOKGUVTQLMLS-JWQCQUIFSA-N 590.652 2.784 0 50 KFAA COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(C)nn(C)c4C)c(=O)n32)ccc1O 2785488 WVPGHIKBLSGEBQ-ZDGAQAAHSA-N 529.622 2.938 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCN1CCCCCC1=O)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292121 FESMXGNAZRHQQR-PFGOARBGSA-N 545.684 2.880 0 50 KFAA COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O 409414351 KQEPLDPLAWGQQF-NNWRFLSQSA-N 546.665 2.657 0 50 KFAA CC(=O)OC1=C(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C(CO)=C[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C 1772820329 HTILKAOQIFDEET-JQOOQDCBSA-N 594.654 2.596 0 50 KFAA COCC[C@@]1(C(=O)NC2CCOCC2)CNC(=O)CCCN(Cc2cccc(C)n2)CCCNC(=O)COc2ccc(cc2)C1 1857707120 FRRWZEAEWSZPCO-UMSFTDKQSA-N 623.795 2.548 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccc[nH]2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857741664 WIGBPNLVYPYJOQ-LADGPHEKSA-N 587.637 2.621 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ncc(F)cc2F)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533610 AWBGCZWVJFICGH-HSZRJFAPSA-N 554.598 2.795 0 50 KFAA COc1ccc(Cl)cc1S(=O)(=O)N1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CCC1)c1ccccc13 2100533868 JFWMAPOLWRRGPA-IKCVQBBRSA-N 573.115 2.976 0 50 KFAA CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1OCC(=O)N1CCOCC1 1105292 PRJBAKNRODMVPF-GJZGRUSLSA-N 501.443 2.870 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)C3(COC)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952864711 OZMCYXROSLHNPK-UIOOFZCWSA-N 535.641 2.912 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(Cl)s2)CCN(C)C(=O)[C@@H](C)NC1=O 1704321738 XTAFNJIMNZCSCR-CUZJBLIYSA-N 730.313 2.636 0 50 KFAA O=C1COc2cc(S(=O)(=O)NC(=O)C3CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)c(Cl)cc2N1 1775996608 AFOMWEMUWREZHO-UHFFFAOYSA-N 582.871 2.884 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)Cn1ccccc1=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857698877 MTQGOTIIMZVLSH-UVMMSNCQSA-N 780.879 2.949 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@H](O)c3cccc(O)c3)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513384 MMCYGJUFMXGIKY-FQEVSTJZSA-N 502.564 2.868 0 50 KFAA COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@@H](C)C(=O)O)cc(OC)c1OC 12381002 QAHOYLGIIXKZCY-RGZVIEDOSA-N 507.337 2.835 0 50 KFAA biogenic O=C1c2ccccc2C(=O)N1C[C@@H]1OCCOCCOCCO[C@H](CN2C(=O)c3ccccc3C2=O)[C@H](CN2C(=O)c3ccccc3C2=O)OCCOCCOCCO[C@@H]1CN1C(=O)c2ccccc2C1=O 150649712 NPLASEGDXFYLME-QRJWCXHQSA-N 989.000 2.792 0 50 KFAA CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCC(=O)O 253411947 PKFDOKPDQNDSRL-MMUYJNCRSA-N 555.628 2.890 0 50 KFAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O 409414962 ZWAKNXSPSFIIKF-ICDZXHCJSA-N 514.667 2.678 0 50 KFAA Cc1cccc(N2CCN(CC(=O)N3CCCNC(=O)CC[C@@H](c4ccccc4)CCNC(=O)C3)CC2)c1 1875240755 YYXSWJVGUOMJEA-AREMUKBSSA-N 519.690 2.536 0 50 KFAA COc1ccc([C@H](CC(=O)NC2CCN(C(=O)C3CC3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263588095 PABLQRVSBFDXFO-IBGZPJMESA-N 514.575 2.719 0 50 KFAA Cc1nccn1CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@@H]2C1 1616108076 NQQMCRJVGUMPMD-SXOMAYOGSA-N 545.640 2.691 0 50 KFAA COc1ccc(-c2coc3cc(O[C@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 1857801051 FTCLAIAXKAGMBI-JURZQKOZSA-N 598.557 2.931 0 50 KFAA O=S(=O)(N1CCCCC1)N1CCN(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 20511971 CTAAADFWKIBZAK-OAQYLSRUSA-N 512.470 2.690 0 50 KFAA CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C1=CC(=O)OC1 253505854 NEBPBFLVSYFRQE-PJEVTANHSA-N 822.986 2.789 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C3CCOCC3)C[C@@H]1NC(=O)CN(C)C2=O 952868670 CJSJLJHIVVOIEN-LOSJGSFVSA-N 521.614 2.902 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(C(=O)c1cn[nH]c1)CCNC(=O)CC2 1857726550 WTCDIMQKPOEUBZ-HSZRJFAPSA-N 547.612 2.629 0 50 KFAA O=C1NCCCN(C(=O)Cn2nc3ccccc3n2)CCOc2cccc(c2)[C@H]2CN(C(=O)Cc3cc(F)cc(F)c3)C[C@H]12 2100533217 GDXKRHLZGYYWKM-SXOMAYOGSA-N 602.642 2.922 0 50 KFAA Cn1c(=O)c2c(nc(SCC(=O)Nc3nccs3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O 12427896 KCMGNAGNVMLYTR-UHFFFAOYSA-N 510.523 2.688 0 50 KFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@H]1O)C3(C)C)[C@H](O)C2 248334068 KVVHJCZXSZVOLS-OLWQHIDPSA-N 546.796 2.511 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3cccnc3)CCCNC2=O)N(C(=O)c2nn(C)c3ccccc23)C1 1704322138 HVZNFADJNZKYCU-WNJJXGMVSA-N 667.767 2.740 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cc2ccncc2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704339468 HXGWHVICWSPQSY-CVNFBTNDSA-N 684.838 2.948 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCc1c(C)noc1C)CCCCNC2=O 1857699185 QNRCRYMTVNXGRE-YQQMXWFASA-N 764.877 2.709 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cccnc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857740989 WYJAIDMVZUUYCK-UKILVPOCSA-N 599.648 2.688 0 50 KFAA CN1C(=O)CCCN(C(=O)c2cc3cccc(Cl)c3n2C)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875240703 GIOGUCARBVJEHK-GOSISDBHSA-N 525.053 2.937 0 50 KFAA Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 12158602 WKBGIHCHJQHAQY-XMMPIXPASA-N 523.659 2.544 0 50 KFAA CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 22448696 CBVCZFGXHXORBI-PXQQMZJSSA-N 613.803 2.867 0 50 KFAA fda CN(Cc1ccc(OCCN2CCN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC2)cc1)Cc1cc2ccccc2s1 102497198 CTIWMYMFZIHZLF-UHFFFAOYSA-N 533.654 2.747 0 50 KFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704323890 JHOAPVLNTIDUES-LKDIDBIPSA-N 737.906 2.989 0 50 KFAA COc1ccc2c(c1)c(C(=O)N1[C@H]3CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C3)c(C)n2C 1857708040 QRPAQRRCWAIJBA-RBUKOAKNSA-N 522.577 2.936 0 50 KFAA COc1cc2ccc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccccc1)CCCNC2=O 2356163143 ZKDOFEVUVDNJSU-SANMLTNESA-N 548.644 2.763 0 50 KFAA CC(C)(C)OC(=O)N1[C@H]2ON(C(=O)OCc3ccccc3)[C@@H]([C@@H]3OC(C)(C)O[C@@H]32)[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21 252428321 YHPVQRNEIJZYRI-ALGCQIQMSA-N 608.648 2.889 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 263586163 QTOXLLCMRAZCSD-PBXXJUDPSA-N 615.749 2.993 0 50 KFAA biogenic COCCCN1CC(=O)N[C@@H]2CN(Cc3cnc(N)nc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 1616070634 QAOYKJYNVYCBMY-SXOMAYOGSA-N 576.698 2.988 0 50 KFAA O=C(O)c1ccc(-n2c(=O)c3c(Cl)c4c(=O)n(-c5ccc(C(=O)O)cc5)c(=O)c4c(Cl)c3c2=O)cc1 100327345 YQMLQPBEZRBBCE-UHFFFAOYSA-N 525.256 2.594 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3ccco3)CCCNC2=O)N(C(=O)c2cccc3c2OCCO3)C1 1704316275 LJGYNYODICGBKY-ZCYQVOJMSA-N 646.697 2.894 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccc(O)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704317931 KXPYKPGQVKKCGX-YFZVMGGLSA-N 809.965 2.969 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3n[nH]c4c3CCC4)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817606 PIANIELBFXZQJZ-VELVYJTJSA-N 755.917 2.642 0 50 KFAA COc1ccc2[nH]cc(CCNC(=O)[C@]3(CC4CC4)CNC(=O)CCCNCCNC(=O)COc4cc(ccc4OC)C3)c2c1 1857705673 PWXIZQCCAJHQNN-UMSFTDKQSA-N 619.763 2.868 0 50 KFAA COc1ccc2cc1OCC(=O)NCCN(C(=O)Cc1cnc3c(C)cccn13)CCCC(=O)NC[C@](CC1CC1)(C(=O)NCc1n[nH]c3c1CCC3)C2 1875251645 AZCGWZJCRQLKLC-RRHRGVEJSA-N 738.890 2.985 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 146158998 MPYUTOYNCCRZAC-MNPUUQGPSA-N 556.527 2.742 0 50 KFAA Cc1oc2c(c1C(=O)N1C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C1)C(=O)CCC2 952863065 DYAPIQMBRSMSSF-CVDCTZTESA-N 554.003 2.974 0 50 KFAA CC[C@H]1CN(Cc2nn(C)c3cccc(Cl)c23)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704322415 HTURFEQUXIZVDO-KCQQGECQSA-N 638.213 2.700 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccn1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772704437 MVOJAOJKZZLSHG-QFIPXVFZSA-N 530.581 2.984 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775978696 HAHKKWKUGHGYNV-MUUNZHRXSA-N 740.861 2.694 0 50 KFAA O=C1CCCN(C(=O)Cc2c[nH]c3ccccc23)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)CN1CCOCC1)C[C@@H]32 1875242385 PNXSBZBNDYYSGS-JADSYQMUSA-N 629.758 2.555 0 50 KFAA O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 2325874325 IKWFABFEBXIZCA-RTWAWAEBSA-N 506.632 2.903 0 50 KFAA CC1(C)C(C(=O)c2cn(CCCCCO[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)C1(C)C 95705084 CMXUADKSHAPHSQ-CZLVRFMKSA-N 503.592 2.585 0 50 KFAA in-vitro COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cnn(C)c2)C[C@@H]1C 888089109 IDCCBECPARKLKG-MYNNCKKGSA-N 567.986 2.572 0 50 KFAA Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n(C)n1 952859661 ZVNACLYVLGWODC-AHKZPQOWSA-N 545.640 2.842 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3cc4ncccn4n3)C[C@H]2C(=O)N1 1704318648 QINVHXNMIYCOKX-WTBZWYEWSA-N 612.735 2.598 0 50 KFAA COc1cccc(-c2ccc(C(=O)N3CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](Cc4ccccc4)C3)o2)c1 1704323604 WWGCRFBJMGTIFR-FZXLOYMHSA-N 762.930 2.527 0 50 KFAA Cc1cc(CC(=O)N2CC(=O)N[C@@H](C(C)C)c3nc(cs3)C(=O)N[C@H](C(C)C)c3nc(c(C)o3)C(=O)N[C@H](C)C2)on1 2356138267 KLEYZTDPFNZDIV-AVIJNYRZSA-N 599.714 2.880 0 50 KFAA COCCCCCC(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)C1 1704321349 KACJEXGXVYHYGQ-JPHFWNGBSA-N 766.966 2.639 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCNC(=O)NC1CCCCC1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292137 VZYNYXJCRJSBRC-WEORHZHFSA-N 560.699 2.719 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccc(SC)cc1 1168189 SDPYISVDFDDGSQ-WNPPMXKSSA-N 525.652 2.950 0 50 KFAA C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)CCc2nc3ccccc3s2)CCCCN(C)C1=O 952862081 KAJUTPKUHUSUQR-FQEVSTJZSA-N 595.722 2.719 0 50 KFAA COc1nc2c(cc1C(=O)N1CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC1)C(=O)N(C1CCCC1)C2 1772713595 MFDUKDBARFSIKJ-HKFHRXRESA-N 741.894 2.872 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cnccn2)CCNC(=O)c2csc1n2 1772714003 YBXZAOODVWBXIA-SFTDATJTSA-N 616.704 2.724 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2cc[nH]c2)CC1=O 2356136494 WZHYTDYAKSOHSP-LJAQVGFWSA-N 521.662 2.590 0 50 KFAA O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1c[nH]c(=O)[nH]c1=O 713493 FYOQZRTVNTVPOB-UHFFFAOYSA-N 572.789 2.914 0 50 KFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1OC 409414857 PVBCZTCFSFRZCF-BHDDXSALSA-N 500.640 2.670 0 50 KFAA Cc1cc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)nn1C 1772817833 SZOGOJFGPBQCEV-CPJSRVTESA-N 618.720 2.586 0 50 KFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857740236 JUNVURYPJLSTBW-PMERELPUSA-N 674.766 2.645 0 50 KFAA CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(=O)N1CCOCC1 2802323 KKPXOHBCQDQWRR-UHFFFAOYSA-N 519.322 2.869 0 50 KFAA COCCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 952856480 HBEURRIHBCLPRZ-LOSJGSFVSA-N 509.603 2.522 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)CN1CCOC1=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857706944 CTAKFRIJSUGIED-HVNZXBJASA-N 772.856 2.539 0 50 KFAA COc1cccc(-c2noc(C)c2C(=O)NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)c1 2325825588 WERFDRSKICCSDB-UHFFFAOYSA-N 535.376 2.730 0 50 KFAA O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2cc(S(=O)(=O)N4C[C@@H]5C[C@@H](C4)Cn4c5cccc4=O)ccc2OCCOCCO3)C1 150520045 IMVHYSWWBHTDEG-RACKDBBVSA-N 864.996 2.888 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3ccnn3C)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952864517 IKVDNVHAHLWWBN-AZGAKELHSA-N 531.613 2.533 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)c3cnccn3)CC(=O)N1CC2 1704318788 RTIDQVCSWAUBHR-HHHXNRCGSA-N 518.570 2.519 0 50 KFAA COC(=O)CCCC(=O)N1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)c1ccc(F)cc1F)C[C@@H]32 1875240570 DDWHBLVJJMTHNA-SMSORMJASA-N 585.604 2.654 0 50 KFAA CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C(=O)N2CCC[C@@H]2CSc2ccc(Br)cc2)C1=O 1875351009 IEILYYFYAGOHFA-GOSISDBHSA-N 588.484 2.664 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@H]2SC1 8927957 CFYQMHLNBLPBJT-PGRDOPGGSA-N 520.947 2.736 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCC(C)C)C[C@@H]1NC(=O)CC2 1772713707 PESUUJVKNOBPAS-OZXSUGGESA-N 523.630 2.847 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)Cc3ccc(CO)cc3)C[C@@H]2Oc2ccc(cc2)CN1 1772714568 XKPLFSNGPYLNFH-KYJUHHDHSA-N 585.657 2.607 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)Cc1csc(-c3ccccc3)n1)CCCNC2=O 1857703532 UNMUEFARFHDBFD-UHFFFAOYSA-N 508.600 2.519 0 50 KFAA O=C(Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1)NS(=O)(=O)c1ccccc1Cl 2831371 LVJQSCHIKGJZOH-UHFFFAOYSA-N 509.772 2.918 0 50 KFAA CN(C)S(=O)(=O)c1cccc(/N=C2\S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)c1 136639530 UINYSFFWXJFRHL-OGDNARKQSA-N 561.642 2.984 0 50 KFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@@H]1O)C3(C)C)[C@@H](O)C2 169452285 KVVHJCZXSZVOLS-GERSHNARSA-N 546.796 2.511 0 50 KFAA CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c3c(c2OC)OCO3)c1O 253496534 LTTNZSUQEFWKQO-HNNXBMFYSA-N 568.535 2.983 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(OCC(=O)N4CCCCC4)cc3)C[C@@H]1NC2=O 1704316476 RCTKBSIJSYNKAC-IZEXYCQBSA-N 642.709 2.797 0 50 KFAA CC(C)C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713155 GKFIWNBLAQLQSQ-DQEYMECFSA-N 507.587 2.528 0 50 KFAA Cc1cnc(CN2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)[nH]1 1775980847 CRRLDNLRDVOGPG-CPJSRVTESA-N 590.710 2.935 0 50 KFAA CCN1CCN(C(=O)c2ccc(=O)n(C)c2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857725735 KGBPIVIRUKZPQO-JOCHJYFZSA-N 620.751 2.660 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2cccnc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940197181 XHYFUKAPQOQQFI-RUZDIDTESA-N 504.635 2.877 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 2049558 XSQDEOJNULNBPG-BHSBJAHRSA-N 512.971 2.915 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616093991 SRJBKFCWOCLWSB-SXOMAYOGSA-N 535.641 2.912 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772817728 VSZCSBRKGCKJKP-NDEPHWFRSA-N 729.830 2.665 0 50 KFAA O=C1CCc2cc(OC[C@H](O)CNc3ncc(C(F)(F)F)cc3S(=O)(=O)N[C@H]3CCSC3)ccc2N1 2325822995 ATDKHBHTMSZLBC-JKSUJKDBSA-N 546.593 2.621 0 50 KFAA CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 59596235 GHYNKKCWPDMXGS-QHCPKHFHSA-N 540.642 2.535 0 50 KFAA COC(=O)CCNC(=O)[C@@H](C)Sc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl 118161619 QPTPZPIXUPELRM-SECBINFHSA-N 511.881 2.507 0 50 KFAA in-vitro COc1ccc(C(=O)N2CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C2)cc1Cl 1704318674 QRZJDKZQXZGJCI-LJQANCHMSA-N 569.062 2.998 0 50 KFAA CC(=O)NCCC(=O)N1CCCC(=O)N[C@@H](Cc2ccccc2)c2nc(c(C)o2)C(=O)N[C@@H](C(C)C)c2nc(cs2)C(=O)NCC1 1772817838 UAVJANBCWPJJPR-HOFKKMOUSA-N 651.790 2.845 0 50 KFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 1118694 WKLCUKPHWQQOHX-UHFFFAOYSA-N 518.455 2.884 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(-c4ccccc4)on3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321583 ARFGEKLVHOMSNB-FNWWCKPFSA-N 674.799 2.710 0 50 KFAA Cc1nc[nH]c1C(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704324040 UZKFOMHVCZFWBR-OFQAEJFBSA-N 643.789 2.647 0 50 KFAA CCc1nc2ccccc2n1CCC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1ccc(C)c(c1)OCCNC(=O)C2 1857709747 OZBQSBUKEYSGNG-FCHUYYIVSA-N 517.630 2.986 0 50 KFAA Cc1noc(C)c1CCC(=O)N1CCCNC(=O)[C@H]2CN(C(=O)c3cn4cccnc4n3)C[C@@H]2c2cccc(c2)OCC1 1875240985 MQPCNBZGOWHWQD-FTJBHMTQSA-N 585.665 2.550 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCN2CCCCCC2=O)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100532925 MKMKWLKQBHUYPR-AREMUKBSSA-N 580.730 2.601 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 1212325 VIQMMUAWAHLOOB-JUTHHCEFSA-N 510.568 2.530 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)C(=O)N[C@H]1Cc1ccccc1 952865657 UTWHCZUNAUTDII-DEOSSOPVSA-N 553.038 2.783 0 50 KFAA COc1ccccc1-c1noc(CCC(=O)N2CCc3ncn4c3[C@@H]2c2cccc(c2)OCCCNC(=O)C4)n1 1775978444 SVKAROBWCSZFOK-MHZLTWQESA-N 542.596 2.947 0 50 KFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCCC(=O)NCCNc4ccnc(c4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC3)c2)o1 1857740769 YRRAQMKIDGPGBH-LJAQVGFWSA-N 673.796 2.824 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(Cc1cnc[nH]1)CCNC(=O)CC2 1875241675 VXOSZMULFJCNQY-XMMPIXPASA-N 533.629 2.988 0 50 KFAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(C(=O)c3c(C)noc3C)C[C@@H]1NC2=O 2356160375 PLQHDKWJZANQNH-GOTSBHOMSA-N 518.570 2.701 0 50 KFAA O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)C(=O)N1c1ccc(Br)cc1 19358942 UADCVHYYJHDAST-PMACEKPBSA-N 590.272 2.793 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1OC 263584957 CLACISQCFYXVJN-SCIUHPPWSA-N 517.667 2.971 0 50 KFAA biogenic Cc1cc(F)ccc1CN1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952862640 CFRQEGYHQSXKAD-SANMLTNESA-N 518.637 2.798 0 50 KFAA COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1N1CCN(C(=O)c2ccc(S(=O)(=O)O)cc2F)CC1 952880137 UJZRKHYLGNVUBU-UHFFFAOYSA-N 589.667 2.790 0 50 KFAA CCCn1ncc(C(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)c1C 1704321792 AJMOSCAVLPOXES-RJSONGRPSA-N 788.976 2.661 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C3CCOCC3)C[C@@H]2Oc2ccc(cc2)CN1 1772703367 ZZVOWZLPLOXJKT-SVBPBHIXSA-N 521.614 2.525 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)C2CCOCC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817482 MZABKQWHJPVGQL-OFVILXPXSA-N 608.721 2.657 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)CCn2nc(C)c(C)c2C)CCCNC(=O)COc2ccc(cc2)C1 1857707206 IHWCTYHINWOMSC-MGBGTMOVSA-N 627.783 2.651 0 50 KFAA CC(C)c1ocnc1C(=O)N1CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3cn4cccnc4n3)C[C@@H]2NC(=O)C1 2100533042 WSHHTDKHFXJNAR-PKTZIBPZSA-N 571.638 2.880 0 50 KFAA CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OC)=C(C)N=2 16700139 DNIUHKNOSXBILM-XPCGLTFESA-N 522.579 2.741 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2cc(Cl)no2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775978277 QLHGSESACPVTFY-PPHZAIPVSA-N 630.146 2.796 0 50 KFAA Cc1cc(C(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)c2c(C)noc2n1 1704322572 LWOPHAVEYXXZOQ-QZFRTWIZSA-N 812.954 2.899 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)c1cccnc1)C2 1772701186 IYVHPNWLLWEKRF-AREMUKBSSA-N 614.703 2.726 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2cnc(-c3cccnc3)nc2C)CCCNC(=O)COc2ccc(cc2)C1 1857697031 IGLLNECUYPRDTA-PGUFJCEWSA-N 660.772 2.913 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)C(C)C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940195646 UWWBESNBHCFXEV-DEOSSOPVSA-N 547.656 2.670 0 50 KFAA CN1C(=O)CCCN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1940197868 XWWTYSTVVPTWIH-HSZRJFAPSA-N 591.734 2.766 0 50 KFAA O=C1N=C(O)N(Cc2ccccc2)C(=O)[C@]12Cc1c(nc3ccccn3c1=O)N1CCc3ccccc3[C@H]12 230035741 KEBJFDRNPVYDHT-IADCTJSHSA-N 505.534 2.824 0 50 KFAA CC(=O)O[C@@H]1[C@H](O)CO[C@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1OC(C)=O 257361254 TZHGYWCJIXHMJK-STFUGNKTSA-N 839.029 2.505 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cncn3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952857454 ICJVDCCGSOQSEF-XTEPFMGCSA-N 619.719 2.948 0 50 KFAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704337238 YMMQWNPTVUVQQX-CUBQBAPOSA-N 575.666 2.821 0 50 KFAA COC[C@H](NCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O)c1ccccc1 2325899997 HKHVTQPVSBAZAY-FCHUYYIVSA-N 520.586 2.564 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2cc[nH]c2)CC1=O 2356136493 WZHYTDYAKSOHSP-GDLZYMKVSA-N 521.662 2.590 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCN3CCCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O 952866506 AEDWVNYGWFMJJH-BDYUSTAISA-N 562.667 2.878 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(Cc1ccncc1)CCNC2=O 1875241570 BOXOZUGKLPOTPW-OAQYLSRUSA-N 555.639 2.851 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 1089811 TZBMUWGBAFFZHK-RWTNITNYSA-N 524.595 2.833 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 6488346 OAZZDUNWYIJDPF-LYRGBEMXSA-N 524.595 2.833 0 50 KFAA COc1ccc(CN2C[C@@H](COc3cccc(F)c3)C[C@@H](C(=O)NCCN3CCNC3=O)C2)cc1OC 14747524 OVRRXXRLEVXBLU-LEWJYISDSA-N 514.598 2.501 0 50 KFAA CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@@H](C)C[C@@H]1N(C)C 252441400 TYQXKHPOXXXCTP-JZVHZLCJSA-N 790.001 2.747 0 50 KFAA CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 253504419 CONXBBMDYHPWGK-FJHBWWGOSA-N 698.630 2.870 0 50 KFAA biogenic COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3c(C)ncnc3C)C[C@@H]1OCc1cccc(c1)O2 952863996 FLILAFAHUKJINP-NSOVKSMOSA-N 618.691 2.753 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)[C@H]2CC[C@@H](O)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704339079 BULWPIQXMDMKRJ-YFRRSUDJSA-N 691.870 2.862 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccc3c2OCCO3)CCNC(=O)COc2cc(ccc2OC)C1 1857705644 PAFZPOQCLBQJFJ-UUWRZZSWSA-N 637.730 2.906 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CCNC(=O)CC2 1875239869 LGMKMEDDXDRVKD-VWLOTQADSA-N 664.737 2.785 0 50 KFAA Cc1ncoc1C(=O)N1CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCC1 2356135298 XUKWLTGYEZTICT-GDLZYMKVSA-N 537.661 2.558 0 50 KFAA CCOC(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 654162 XZSVQAFYKMVYBJ-DEOSSOPVSA-N 557.650 2.566 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 14741951 ZOVPWHSOSCPYLI-QFIPXVFZSA-N 523.659 2.919 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263586241 RPWXCJUFWFSJOA-SANMLTNESA-N 671.817 2.540 0 50 KFAA biogenic O=C(c1ccncc1Cl)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952864032 KOXDQDFSKFIZBZ-UHFFFAOYSA-N 509.010 2.933 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)Cc3c(C)noc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713134 FQOMFBAZBJZMBL-SZETWRQASA-N 758.917 2.964 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccnc2)CCNC(=O)COc2cc(ccc2OC)C1 1775979867 OIKANTJZBRYDOU-WJOKGBTCSA-N 580.682 2.530 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N[C@H]3COC[C@H]3Cc3cc(C)no3)cc(c1)-n1ccnc1-2 1857725900 SAPGBWZIVKLQOB-QPPBQGQZSA-N 543.580 2.840 0 50 KFAA COc1ccc(-c2cn(CC3(O)CCN(C(=O)c4ccc5c(c4)NC(=O)[C@H](C)N5C)CC3)nn2)c(F)c1F 2325860333 CUORAOWENUUUIQ-HNNXBMFYSA-N 526.544 2.676 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 631669 DQXUTWTXGXUFON-RWTNITNYSA-N 524.595 2.833 0 50 KFAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@H]3C2=O)cc1 230029521 DWYLCFZEMJWYFF-JJQNIZSHSA-N 563.614 2.574 0 50 KFAA COc1cc([C@@H]2C3=C(O)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)[C@H](C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O 888088514 DGZDVTZNWZYDJB-PPQRUJIESA-N 667.071 2.711 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(CC2CC2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704316235 KXTVZQZFVGTHJM-WIDQKRBRSA-N 713.971 2.661 0 50 KFAA CC[C@@H]1NC(=O)CCCN(S(=O)(=O)N(C)C(C)C)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857699369 OCXBXHQJKFHRGW-DEOSSOPVSA-N 635.759 2.938 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN(C)C)CCCC(=O)N[C@H]2Cc1ccccc1 1857707430 RVDGHWSFNAIONL-NVQXNPDNSA-N 623.780 2.880 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)c1cc3ccccc3n(C)c1=O)CCNC2=O 1857726843 FRDUKWXRHXTXAQ-JOCHJYFZSA-N 649.708 2.948 0 50 KFAA Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccc(CN)c3)c2)c(=O)n(-c2ccccc2)n1C 2325843278 ACRHMJCGZAKAHB-UHFFFAOYSA-N 519.627 2.698 0 50 KFAA O=C1NCCCCN(C(=O)c2cc(-c3ccccc3)on2)CCCN(C(=O)c2ccccc2)[C@@H]2CN[C@H]1C2 1704316602 WYLBIDJPVSSIOY-ZEQRLZLVSA-N 515.614 2.957 0 50 KFAA CCn1nc(CC(C)C)cc1C(=O)N1CCCNC(=O)[C@@H](C)NC(=O)c2ccc(C)cc2OCCCn2cc(nn2)C1 1704321394 MHAGNIIAGCASJA-JOCHJYFZSA-N 578.718 2.751 0 50 KFAA CCc1ocnc1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)C2(CC2)NC(=O)c2cncc(c2)-c2cc(cc(OC)c2OC)C1 1772714426 PVHRDZDMFOIABP-XMMPIXPASA-N 632.718 2.882 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772816812 CADIZHHSEDURJU-CUBQBAPOSA-N 707.835 2.940 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(S(=O)(=O)c2cc(C)sc2C)CCCNC(=O)COc2ccc(cc2)C1 1857688926 MKRBREYXHZAEHO-SSEXGKCCSA-N 637.821 2.979 0 50 KFAA CC(=O)NCCCC(=O)N[C@@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1857702744 BKOVVGGPFBNJPN-MSQIEAGJSA-N 730.911 2.694 0 50 KFAA O=C(OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 1875328551 XYAVECUUALTBOU-GOSISDBHSA-N 500.602 2.783 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccccc1-c1nc[nH]n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952868861 BHTFPJUALRPIMY-LJAQVGFWSA-N 663.739 2.697 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952864200 YTUKESGFTQPXKQ-NSOVKSMOSA-N 592.693 2.967 0 50 KFAA COc1ccc(/C=C/CN2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)cc1 1772702004 IUOSNMZBKPEYGN-VSAVSWETSA-N 686.858 2.566 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(-c3ccccc3)on2)CCNC(=O)COc2cccc(c2)C1 1775978160 BVZPWNWSCKCIRI-JGCGQSQUSA-N 606.676 2.627 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)CCCNC(=O)COc2ccc(cc2)C1 1775980644 GDWUONLBIKYCFQ-PGUFJCEWSA-N 650.773 2.879 0 50 KFAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)CCc2nc4ccccc4[nH]2)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857690622 HLUIZLNAARMBKQ-HLADLETHSA-N 765.872 2.703 0 50 KFAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 101135327 CHTJGNNQGAAYAL-OWAUWMPXSA-N 506.555 2.839 0 50 KFAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)[C@H](C)O 150662991 GHCVLHGJWDFNIU-JPEUIBHPSA-N 724.811 2.985 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)C3CCOCC3)CC(=O)N1CC2 1704324431 QBTCGWCTMCIMRT-NDEPHWFRSA-N 524.614 2.842 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@@H]2CCCN2)CCCNC(=O)c2csc1n2 1772817081 GPLDINAUBACRBN-WATLYSKOSA-N 623.805 2.841 0 50 KFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1c[nH]c2cc(Cl)ccc2c1=O 1857711587 IDXPYTOBYWWZMA-RBUKOAKNSA-N 522.989 2.792 0 50 KFAA CCOCC(=O)N1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CN(C(=O)c2cc3ccccc3cn2)CCCO4)C1 1875241650 VLHWCXVTPMUQAK-QXNWPYRLSA-N 558.635 2.617 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 1206023 ONFQEAVTZHNONG-XGHXRCDJSA-N 515.385 2.885 0 50 KFAA O=C1N[C@H]2CN(Cc3ccc(OCCn4ccnc4)cc3)C[C@@H]2OCc2cn(nn2)CCCOc2cccc1c2 952858559 CSBWHIFHZMCRSS-NSOVKSMOSA-N 543.628 2.536 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)C(C)C)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322470 LHZFUKCNNGSIEJ-YENCJLLLSA-N 635.806 2.967 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)C1CCC1)C2 1772713957 XCQUILOTRYMMDB-RUZDIDTESA-N 591.709 2.818 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2c3c(nn2C)CCCC3)CCNC(=O)COc2cc(ccc2OC)C1 1857703766 YTBWSWHDNCJYMM-UMSFTDKQSA-N 637.778 2.747 0 50 KFAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3cccc(-c4ccccc4)c3)CCCC1=O)C2 1857725934 APNBLQGMBGWQCQ-MHZLTWQESA-N 614.747 2.592 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801061 LODGFUDXZVUDFR-VPYYATKVSA-N 589.575 2.687 0 50 KFAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 138084998 OWDNFDHXFLQGQN-DQEYMECFSA-N 582.698 2.629 0 50 KFAA COC(=O)[C@@]12Oc3cc4c(c(O)c3C(=O)C1=C(O)CC[C@@H]2O)[C@H]1C=C[C@@]2(C4)C(=O)c3cc(C)cc(O)c3C(O)=C2C1=O 230076549 KIWTVJVARRPBPR-POGZPJBRSA-N 572.522 2.791 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 253414666 YDVGINVSPDLAQQ-KKSFZXQISA-N 525.602 2.522 0 50 KFAA biogenic CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@H]4[C@@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@@H](OC(C)=O)C2)[C@@H]1O 257347031 NTCQLIABTKPIND-UJIUNUDMSA-N 592.726 2.652 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)Cn1c(C)nc3ccccc31)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713245 BCIBWCCABBZKGQ-YDYNHKSESA-N 655.804 2.614 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCc1nc(-c3cccnc3)no1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443093 VCAPQDMQOAYGOD-WZELYZJASA-N 565.634 2.775 0 50 KFAA COCCC(=O)N1C[C@@H]2c3cccc(c3)OCCN(C(=O)Cc3ccc(F)cc3F)CCCNC(=O)[C@H]2C1 1875240446 CYTSENPZFVXQCC-RPWUZVMVSA-N 529.584 2.513 0 50 KFAA COc1ccc2c(c1)OCCn1cc(nn1)COc1cc(ccc1OC)C(=O)N[C@H]1CCN(C2=O)[C@H](C)C1 1704323263 FMCLKFYZOQUHNT-MJGOQNOKSA-N 521.574 2.690 0 50 KFAA COCCN(C)CC(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1772817212 MIZKESPQNBGGOR-CUNXSJBXSA-N 655.847 2.667 0 50 KFAA CN1CCN(C(=O)c2ccc(N3CCC[C@@H](c4ncc(Br)cn4)C3)nc2)C[C@]12CCOC2 1875360527 CRHJZBVEPYMKBT-JPYJTQIMSA-N 501.429 2.565 0 50 KFAA CCOC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8454145 JBGWVPBVZRYGKV-XMMPIXPASA-N 557.650 2.566 0 50 KFAA COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1coc2ccccc2c1=O 225421243 VGINYLMYXJCFFL-LQWHRVPQSA-N 544.560 2.928 0 50 KFAA biogenic CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)[C@@H]1OC(C)=O 257346860 BTRWTSHCXGFFFL-YIQGRBNRSA-N 590.710 2.812 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCc3csc(N)n3)C[C@@H]1NC(=O)CN(C)C2 952856743 GAPABTRZENUVDB-DHLKQENFSA-N 551.669 2.817 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952856862 SRJBKFCWOCLWSB-RRPNLBNLSA-N 535.641 2.912 0 50 KFAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)C3CC3)C[C@@H]2N1 952864034 KMCFKCDEYKASIO-SVBPBHIXSA-N 535.641 2.648 0 50 KFAA Cc1ncc(C(=O)N2CCCNC(=O)c3cc(Cl)ccc3OCCNC(=O)C2)c(-c2ccccc2)n1 1857688961 XSIUSJVCYMYDPF-UHFFFAOYSA-N 507.978 2.876 0 50 KFAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2ccccc2)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857703742 YBYBMFFVOJMKFC-LXFBAYGMSA-N 697.793 2.508 0 50 KFAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2325878586 VHFPGHJAHAKJDX-CGMFLQLISA-N 556.700 2.879 0 50 KFAA CC(=O)N1CCC(c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)CC1 1875386901 DIPXIQRYQBDDQH-UHFFFAOYSA-N 536.658 2.680 0 50 KFAA COCCC1CN(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H](c4ccc(F)cc4)C3)cc2S(N)(=O)=O)C1 2325823326 NPVOBSFFORNVLR-CTNGQTDRSA-N 525.668 2.951 0 50 KFAA COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)c3cnc4ccccn4c3=O)CC2=O)cc1 102398130 HCAJHDHQENJIRQ-HSZRJFAPSA-N 530.556 2.912 0 50 KFAA CN(C)C(=O)CCC(=O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952858185 WZZSHCQDRPJPGG-YTMVLYRLSA-N 528.613 2.687 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3scc4c3CCCC4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322395 GPGADZHAIJROGE-KZNIJNHCSA-N 667.873 2.995 0 50 KFAA COCC(=O)N1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)CCSc2ccc3c(c2)OCCO3)Oc2ccc(cc2OC)CCC(=O)NCCC1 1704322543 JAKCLDDJOOYRIP-XCZPVHLTSA-N 712.866 2.821 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CCCNC(=O)COc2ccc(cc2)C1 1775980592 DPYOOLHAEJETTR-DIPNUNPCSA-N 679.859 2.569 0 50 KFAA C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CCN1c1ccc2nncn2n1 1875352104 UDOHJHNBBDYPOZ-MRXNPFEDSA-N 588.572 2.620 0 50 KFAA CC(=O)N1CCC[C@@H](c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875387123 PVBAUHYWZSCWBU-HSZRJFAPSA-N 536.658 2.680 0 50 KFAA Cc1onc(-c2ccsc2)c1C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 2325825122 FJFJSUOGEWBLCL-UHFFFAOYSA-N 511.379 2.783 0 50 KFAA CCOC(=O)C1CCN(C(=O)CNC(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3ccccc23)CC1 9775944 GZZAQFPEYNDVKL-UHFFFAOYSA-N 526.977 2.579 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253530376 VXHVFDQYSSFKAR-XUHYCKPZSA-N 622.840 2.900 0 50 KFAA biogenic CCc1oc(C(=O)N2CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)CCC2)cc1CN1CCCC1 1704317926 LCCZNJRWJJXGKX-HOFKKMOUSA-N 609.768 2.763 0 50 KFAA C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 1875352514 JZAXRRVTQJTRFL-AIFLQVKLSA-N 592.722 2.721 0 50 KFAA CCOC(=O)C1=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 150495952 VGVVQIPTYNFYMD-NLXUKWATSA-N 664.758 2.843 0 50 KFAA Cc1cc(C)c(C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)C2)cc1C 1704315665 ASPFOTMPKLPICG-PIBAVCMPSA-N 692.817 2.600 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1cn(C)cn1)CCN(C(=O)CCCn1cccn1)CCC(=O)NC[C@H]1CCCN3C1 1857724544 GXMGGPWMKWJQMI-RUZDIDTESA-N 701.829 2.878 0 50 KFAA O=C1CN(C(=O)c2ccc3c(c2)CCCO3)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857739728 QDAYBWADNCDGIG-LJAQVGFWSA-N 637.741 2.810 0 50 KFAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 109280645 NECUJIBRWJCANS-UHFFFAOYSA-N 626.781 2.599 0 50 KFAA Cc1ccccc1-c1cccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1 952861925 IYPRGHCWNOAENK-IOWSJCHKSA-N 619.726 2.744 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)CCn3cccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952863657 BQVMLMLZOUELLF-RRPNLBNLSA-N 545.640 2.773 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCCn2cccn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818090 ZBIKKMHNANSCAQ-CUNXSJBXSA-N 632.747 2.907 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCS(=O)(=O)c1ccccc1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533291 JBSXERACAFOIOZ-LJAQVGFWSA-N 673.792 2.878 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCn1nc(C)c(C(C)=O)c1C)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533654 CZAVROSQNJVODO-WJOKGBTCSA-N 635.766 2.923 0 50 KFAA CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C 2332879102 NKLGIWNNVDPGCA-RUZBBFDOSA-N 759.931 2.968 0 50 KFAA CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O 3979756 UAOCLDQAQNNEAX-ABMICEGHSA-N 522.595 2.510 0 50 KFAA investigational CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2csc(SC)n2)C1 14534580 HGSQLDHWGJVHRW-LJQANCHMSA-N 520.677 2.612 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc(C)n(C)n3)CC[C@H]1OCc1cccc(c1)O2 952865782 VOSHIECJRQUZPQ-RRPNLBNLSA-N 561.639 2.921 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)CCCn3cncn3)CC[C@@H]1OCc1cccc(c1)O2 1616114924 ZEPGVWQEVBRDEW-SXOMAYOGSA-N 576.654 2.637 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)NC3CCCCC3)C[C@@H]1NC2=O 1704321151 FJQQDYMNXWSNLK-DHLKQENFSA-N 522.602 2.608 0 50 KFAA COc1ccccc1-c1noc(CCC(=O)N2CCc3ncn4c3[C@H]2c2cccc(c2)OCCCNC(=O)C4)n1 1775978436 SVKAROBWCSZFOK-HHHXNRCGSA-N 542.596 2.947 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(S(C)(=O)=O)cc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775982411 LIBLLHUWDJPXBE-HOFKKMOUSA-N 678.793 2.948 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(C(=O)c1ccn(C)c(=O)c1)CCNC(=O)CC2 1857724080 LGPGGOAVIDWWIY-RUZDIDTESA-N 588.661 2.604 0 50 KFAA Cn1ccnc1[C@@](O)(CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F 2325873942 ZQPACDBGRWZSPO-LIRRHRJNSA-N 522.311 2.888 0 50 KFAA CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCN2[C@@H](C)CCC[C@H]2C)C(=O)CS3)CC1 15895262 ODPKPXADMKKELP-BGYRXZFFSA-N 522.737 2.925 0 50 KFAA COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1Cl 59620413 NXGLSSZIJVXNQF-IBGZPJMESA-N 536.050 2.822 0 50 KFAA O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 100632739 LJSOYWRKLBQFFM-MUUNZHRXSA-N 574.703 2.747 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cc[nH]c3C)C[C@@H]1OCc1cccc(c1)O2 952857202 AVDGRTVCRHLMPO-NSOVKSMOSA-N 591.665 2.983 0 50 KFAA COc1cc2ccc1Oc1cc(F)cc(c1)CNC(=O)CCCN(C(=O)[C@@H]1CCCN1)CCCNC2=O 1704326450 FAOXLAHGTBIDRO-QFIPXVFZSA-N 512.582 2.737 0 50 KFAA CC(C)CC(=O)N1CCCN(C(=O)Cc2cccnc2)CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)Cc1cn2ccsc2n1 1704338615 WIMABRSEJIQMPH-UIOOFZCWSA-N 607.781 2.549 0 50 KFAA Cc1oc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772702494 SSOWRBQVPLUJAH-BPYKYCOYSA-N 804.853 2.679 0 50 KFAA Cn1cncc1C(=O)N1C[C@@H]2c3cccc(c3)OCCN(C(=O)c3cccc4ncsc34)CCCNC(=O)[C@H]2C1 1940198235 WXTPMROZXQZHHW-PKTZIBPZSA-N 558.664 2.927 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cncc(F)c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533989 OKCUOXDBXLIMFC-XMMPIXPASA-N 536.608 2.656 0 50 KFAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n32)cc1 1896282 XPRAACWAOFQVAJ-RKKARLDVSA-N 503.580 2.542 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 16700358 SADYBNWTXQYPHK-JGTYQCAFSA-N 522.579 2.741 0 50 KFAA COc1ccc([C@@H](CC(=O)NCCn2cnc3ccccc3c2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC 263586483 UWYZYELMSQDHGN-LJQANCHMSA-N 535.553 2.728 0 50 KFAA biogenic O=C([C@@H](c1cccnc1)N1CCCC1)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952864337 FMSRZAGNBNKKAO-MUUNZHRXSA-N 557.699 2.803 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cnc(-c3cccnc3)nc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772705057 WNOBGHPJAXALAT-PPTMTGTBSA-N 680.814 2.730 0 50 KFAA CC(C)Cn1c(=O)nc(O)c2c(C(=O)N3CCc4c(cccc4NS(C)(=O)=O)C3)cc(C(C)C)nc21 1875343650 PQCORYHRVIKQGV-UHFFFAOYSA-N 513.620 2.847 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cnc(O)[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 952857801 VAEGHXKNHQFHGE-LOSJGSFVSA-N 579.654 2.684 0 50 KFAA Cc1noc(C)c1S(=O)(=O)N1CC[C@]23C(=O)N(CC(=O)NCCCOc4cccc(c4)[C@H]12)c1ccccc13 952864048 XHWYLHCXSODOCQ-AHKZPQOWSA-N 536.610 2.610 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3c(-c4cc(C)on4)nn(C)c3Cl)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321989 AIICCVVXQMVWNS-KZNIJNHCSA-N 713.280 2.765 0 50 KFAA C[C@@H]1NC(=O)CN(C(=O)c2ccc[nH]2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356134914 ILCAAPUMIQQUGZ-FQEVSTJZSA-N 541.612 2.805 0 50 KFAA CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O 631573 DFBYMTKLXUTLPY-XPCGLTFESA-N 522.579 2.741 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@@H]2SC1 8927962 CFYQMHLNBLPBJT-GCJKJVERSA-N 520.947 2.736 0 50 KFAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 9334165 XUMDLSPMECLYGW-HJOGWXRNSA-N 503.599 2.846 0 50 KFAA N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 257355034 JUUZKZKBBSFAAT-NVYPRNDGSA-N 997.071 2.512 0 50 KFAA CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CCCn3cncn3)CC[C@]23C(=O)N(CC1=O)c1ccccc13 952864838 MITUVHQGGWWEIR-LMSSTIIKSA-N 528.613 2.557 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(Cc3nccn3-c3ccc(OC)cc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704319806 YXFAYPRHWKXXGR-FIPFOOKPSA-N 590.725 2.566 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CCCCNC2=O 1857702533 MWWDEFHOXHRSAP-JGCGQSQUSA-N 730.862 2.871 0 50 KFAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1875255093 KMZMZBSQWNWIIK-WOJBJXKFSA-N 556.685 2.993 0 50 KFAA COc1c2c(c(CNC(=O)C[C@H](c3ccc4c(c3)OCO4)c3c(O)nc4ccccn4c3=O)c3c1OCO3)CCN(C)C2 2049252038 AXLSRHUPTKOZDJ-LJQANCHMSA-N 586.601 2.692 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 6500496 RPCVZMOMQAZTHQ-MYXKAAJQSA-N 545.617 2.850 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245298265 ZDUHEZBXPHVNCZ-MLBCHFTJSA-N 563.419 2.644 0 50 KFAA biogenic COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 253488112 XHCIZLWHEPIQDR-LNOBLCMISA-N 656.593 2.856 0 50 KFAA O=C1CN(C(=O)c2ccc3c(c2)CCO3)CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccn4ncnc4c3)C[C@@H]2N1 2100533483 RAYHOKAGYXGYBI-SXOMAYOGSA-N 580.645 2.704 0 50 KFAA Cc1c(NC(=O)Cc2noc(C[C@H]3CSc4ccccc4NC3=O)n2)c(=O)n(-c2ccccc2)n1C 2325850941 LSBBUEOVSAPIOQ-INIZCTEOSA-N 504.572 2.952 0 50 KFAA CCOC(=O)CN1C(=O)[C@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c2ccccc21 14944165 SIHWJLLANVMQEL-IQPSUQMJSA-N 509.562 2.812 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 15723166 CRQRFNHNRSGVTL-MFUBYVTQSA-N 521.595 2.774 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 27076766 GWNVDXQDILPJIG-SXSMQGSESA-N 625.785 2.777 0 50 KFAA in-vitro COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)c1 59617236 WETALZMWQLFTAM-UHFFFAOYSA-N 548.643 2.756 0 50 KFAA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 229976435 YWMSBTBFCOTHTB-SROYEPCLSA-N 592.598 2.729 0 50 KFAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1OC 263584956 CLACISQCFYXVJN-KUQPJALBSA-N 517.667 2.971 0 50 KFAA biogenic COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(S(=O)(=O)c1cnn(C)c1C)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857704617 ZPKQGYNQQQPNCA-IEWVHIKDSA-N 803.939 2.991 0 50 KFAA CNC(=O)CCC(=O)NS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 1875342158 AOMAOOSQVAASGU-KRWDZBQOSA-N 512.053 2.954 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cc1cc(F)cc(F)c1)CCCNC2=O 2356139713 IMQAKVBJHQDRGH-NDEPHWFRSA-N 598.651 2.970 0 50 KFAA CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 8583628 DZUPRSTWYBCRJP-IBGZPJMESA-N 539.079 2.534 0 50 KFAA CCOC(=O)c1csc(NC(=O)CNc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1 252536537 IVGPAZDAWNXTRX-LJQANCHMSA-N 596.662 3.547 0 50 KFAA COc1cc(C(=O)N2CCCOc3cc(ccc3OC)-c3nccn3CCCNC(=O)[C@@H](C(C)C)NC(=O)C2)ccn1 2100534149 VWZODRGRCJJACL-HHHXNRCGSA-N 578.670 2.534 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 100790340 YWMCBYWCSIMJMV-QFVBLGFASA-N 534.546 2.830 0 50 KFAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1 253487157 GAZDXIGXYWVWQX-MHZPCYQRSA-N 643.774 2.715 0 50 KFAA CCCn1cc(C(=O)N2CCCCNC(=O)c3ccc(OC)c(c3)Oc3cccc(OC)c3CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C2)c(C)n1 1857699040 FTRADNVUNNEUAW-NOYIBSPZSA-N 763.893 2.700 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2cccnc2)CC1=O 2356136097 GPNJLAFVOARWTK-PMERELPUSA-N 533.673 2.657 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc3nc(O)cc(C)c3c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714057 XRBWMQHXHWDILV-CPBHLAHYSA-N 704.854 2.681 0 50 KFAA CCOCC(=O)N1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CCCN(C(=O)c2ccc3c(c2)OCO3)CCCO4)C1 2100533715 WWVPNVBWNYRKJT-GTYOFVGBSA-N 579.650 2.578 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 1805255 NNEPSGQTFDZIQS-UGUGFTGJSA-N 533.606 2.552 0 50 KFAA COc1ccc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1 12416609 MMGMNUOTXKHGRH-WAGYARTHSA-N 511.607 2.627 0 50 KFAA CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)NCCCN5CCCC5=O)C4)c3C2=O)CCO1 39442244 GKYRIJDYVHKSCI-PMACEKPBSA-N 510.635 2.585 0 50 KFAA Cc1nn(C(C)C)c(C)c1CN1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704319251 UDUGCIOXLCDYDJ-DCQJQKIRSA-N 735.956 2.675 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cc3ccccc3s2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772713368 FGOBYTLWCXLJGG-NVSKSXHLSA-N 647.798 2.778 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CN(C)C)CCCNC(=O)c2csc1n2 1772817797 XHSSDFRLSNMVHB-CPJSRVTESA-N 611.794 2.650 0 50 KFAA NC(=O)CN(c1ccccc1)[C@H]1SC(=O)N(Cc2ccc(CN3C(=O)S[C@H](N(CC(N)=O)c4ccccc4)C3=O)cc2)C1=O 150663671 NLMOFQKGRHIHFE-NSOVKSMOSA-N 632.724 2.713 0 50 KFAA CCOC(=O)N1CCN([C@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@@H]2N2CCN(C(=O)OCC)CC2)CC1 334163592 YFUSNHBFPJDYGE-VSGBNLITSA-N 604.708 2.844 0 50 KFAA O=C1N[C@H]2CN(C(=O)Nc3ccc4c(c3)OCO4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952862074 JQORZZYDTVSXHH-CVDCTZTESA-N 540.964 2.674 0 50 KFAA O=C1CCCN(C(=O)c2cc3ccccc3o2)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)CCn1cnnn1)C[C@@H]32 1875242600 XEJQSXMUOVHVCU-NRUKRWIHSA-N 613.675 2.636 0 50 KFAA CCOc1ncccc1C(=O)N1CC[C@H]2Oc3ccc(cc3)CNC(=O)COc3cc(ccc3OC)C(=O)N[C@H]2C1 2356161017 CEBWRDUZIUMITI-BJKOFHAPSA-N 560.607 2.590 0 50 KFAA CCCOc1ccc(S(=O)(=O)NCC[C@@H]2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 4824235 IYFNEFQTYQPVOC-KRWDZBQOSA-N 516.668 2.828 0 50 KFAA world CC(C)C[C@@H]1NC(=O)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)CCCNC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775981334 KPUFZFICUATUFB-ZEQRLZLVSA-N 734.905 2.970 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2cc3ncccn3n2)CCNC(=O)COc2ccc(cc2OC)C1 1775982146 QWWMAHBYHFWBLA-MGBGTMOVSA-N 636.750 2.814 0 50 KFAA CCN1CCN(C(=O)c2cnc(N3CCOCC3)nc2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875239862 JVEZXOGHTMZSQE-XMMPIXPASA-N 676.819 2.588 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC(O)(CO)CC2)NC1=O 952856421 DVPIUKWGWFNSEY-QAXCHELISA-N 656.780 2.738 0 50 KFAA COCCC(=O)N[C@@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1857705133 UIYMJWWMYJCIPO-UNPOMIEPSA-N 689.858 2.815 0 50 KFAA CN(c1cccc(CN=c2[nH]c(Nc3ccc4c(c3)CNC4=O)ncc2C(F)(F)F)c1)S(C)(=O)=O 1875388275 UDNOSHRSBUBBJQ-UHFFFAOYSA-N 506.510 2.912 0 50 KFAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 2858384 ILQGEYPTUPSIMY-UHFFFAOYSA-N 553.091 2.634 0 50 KFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)ncn1 3002243 MLEMPRNVZYKWME-UHFFFAOYSA-N 531.616 2.713 0 50 KFAA CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 97957636 RALMJZOFLWPVDS-QQYUXEJHSA-N 569.595 2.957 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1ccc3c(c1)CCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952858013 ZFZLPQNJKYVKMI-DFLRLQOUSA-N 705.857 2.613 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)CCCn3cncn3)CC[C@H]1OCc1cccc(c1)O2 952864724 ZEPGVWQEVBRDEW-RRPNLBNLSA-N 576.654 2.637 0 50 KFAA CCc1nc2ccccc2n1CCC(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704317190 GCVGYUMRGLFAHE-RLAXDUEXSA-N 785.972 2.610 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ncoc1C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533100 AGILHDORDTUQHP-DEOSSOPVSA-N 586.649 2.624 0 50 KFAA Cc1ncoc1C(=O)N1CCCC(=O)N(CCC(C)C)CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCC1 2356135299 XUKWLTGYEZTICT-LJAQVGFWSA-N 537.661 2.558 0 50 KFAA CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(Br)c1OCC(N)=O 1123391 OEQWMGYHQISGKY-FQEVSTJZSA-N 533.448 2.821 0 50 KFAA COc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@H]3C2=O)cc1 247959761 NUTRBPOVFCDQAB-BGAAUONKSA-N 536.588 2.624 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N(C)CCC(N)=O)NC1=O 952856878 SSSVGYBMOAROSS-JBOQNHBVSA-N 627.742 2.726 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCCN3CCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O 952865167 OSYKBSOBGWTMHI-IZZNHLLZSA-N 562.667 2.878 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1onc3ncccc13)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775976597 BPKMLQDUUKWERH-DEOSSOPVSA-N 576.610 2.877 0 50 KFAA COCCC[C@]1(C(=O)NCCc2cscn2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705601 NSPYJSJEEOJLNG-WJOKGBTCSA-N 604.733 2.746 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)c1ccc(N3CCOCC3)cc1)CCCNC2=O 2100534125 VAGJCDXGAREOGQ-DEOSSOPVSA-N 564.731 2.795 0 50 KFAA COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225422286 HFTBHDVPIRTSGM-LMNJBCLMSA-N 534.565 2.593 0 50 KFAA biogenic COc1cc([C@@H](CC(=O)NCCc2c[nH]cn2)c2c(O)c3ccccc3oc2=O)c(OC)c2c1OCO2 253470614 PIHQLUQMFJNKJE-MRXNPFEDSA-N 507.499 2.849 0 50 KFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@H]4[C@H]2[C@@]25C[C@@H]6[C@H](C[C@]12[C@H]5[C@H]34)C6(Br)Br 257346976 KDSIPDSSIYSVPH-LAKOEHQWSA-N 503.194 2.914 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]1NC(=O)CC2 1772714062 YAINZIPKFULKMZ-QCDSWUKFSA-N 601.656 2.773 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCOc1ccccc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714543 WJTRBGQCYHISHB-NSJVFKKDSA-N 631.778 2.725 0 50 KFAA Cn1cc(CCn2cc(-c3cc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)ccc3F)nn2)nn1 1875334237 GOAPWYDIZXLGFL-UHFFFAOYSA-N 504.570 2.664 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 208759907 SCKUPBDRWKIHLL-NXCFDTQHSA-N 507.631 2.923 0 50 KFAA COC(=O)C[C@H](c1ccc(C(=O)O)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225427261 JOZLZXDTNSDMEU-LKUPVBHCSA-N 520.538 2.520 0 50 KFAA biogenic COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257348990 KQDOGCHGRZLHOM-FMIMSWHOSA-N 766.834 2.512 0 50 KFAA COCC1(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)CCC1 1772706352 ZBLYXDLLRONKQM-LPIXWXTCSA-N 747.934 2.933 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857741026 YPQPBDPKOSVYFD-XTEPFMGCSA-N 723.784 2.585 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCCO)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253400365 DWWLUFRJJNOFJT-LVXARBLLSA-N 541.645 2.798 0 50 KFAA biogenic CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@H]1O)C3(C)C)[C@H](O)C2 257355065 KVVHJCZXSZVOLS-VZTILBLNSA-N 546.796 2.511 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)CCCN3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952857120 JUGCAYYTKXYSRS-URLMMPGGSA-N 578.710 2.598 0 50 KFAA CCc1ccc(-c2cc(C(=O)N3CCCCN(C)C(=O)[C@H](C)NC(=O)COc4cc(O)cc(c4)C(=O)NCCC3)n[nH]2)cc1 952862395 MCZJEUGCLBOUPL-NRFANRHFSA-N 604.708 2.743 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cn3cc(Cl)c(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O 952864016 XAGBPVPGNOZQRY-UIOOFZCWSA-N 626.110 2.787 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCCc3noc([C@@H]4CCCO4)n3)cc(c1)-n1ccnc1-2 1857726461 RWGZFEDMQPNCAV-QFIPXVFZSA-N 544.568 2.764 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ccc3c(c2)nc(N2CC[C@H](O)C2)n3C)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533165 CSKBYVMAFHEMLZ-LITSAYRRSA-N 656.788 2.580 0 50 KFAA Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)c12 2325718942 DUPYOTJRSYZAAC-GOSISDBHSA-N 583.623 2.643 0 50 KFAA Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O 20292433 CTUGWTCIGVXHLS-UHFFFAOYSA-N 511.001 2.592 0 50 KFAA CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22916821 JZPWTQMZUSYHQA-QFIPXVFZSA-N 501.583 2.696 0 50 KFAA COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@H]2O)(c2ccccc2)c2ccccc2)cc1 253498814 PGJCOEJMNUARCI-HDLKCZAISA-N 516.550 2.585 0 50 KFAA O=C1CN(C(=O)c2cnc(Nc3ccccc3)nc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857711631 IYDXCYSWDXQDHW-UHFFFAOYSA-N 508.966 2.645 0 50 KFAA CC(C)(C)OC(=O)N1CCC(NC(=O)c2cnc(N=c3ccn(Cc4cn5ccccc5n4)[nH]3)nc2)CC1 1875352895 FHYCRQPSWIGOSJ-UHFFFAOYSA-N 517.594 2.664 0 50 KFAA COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 44032066 PQXVLEMIGAJLIN-BQOYKFDPSA-N 570.602 2.765 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2nnc3n2CCCCC3)CCCCNC(=O)[C@@H](C)NC1=O 1704337659 XVUDYNADYJAQJE-SATCGAIXSA-N 698.869 2.934 0 50 KFAA O=C1NCCN(C(=O)CNc2cccnc2)CCCOc2cccc(c2)[C@H]2CN(C(=O)Cc3cc(F)cc(F)c3)C[C@H]12 1875239924 ACHOAJZQWHXXBO-IZLXSDGUSA-N 577.632 2.984 0 50 KFAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3cncc(F)c3)CC[C@H]1O2 2356162888 SGBGPRJCVXWYFI-BJKOFHAPSA-N 548.571 2.638 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100598960 DKILWARHNQIYCY-YXDQGSNCSA-N 550.589 2.658 0 50 KFAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3c(F)ccc(C)c3Cl)CN2C(=O)[C@H](C(C)C)NC1=O 952856203 AJDXKCXBHVGPEA-OXYVHWKJSA-N 731.291 2.631 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cc(C(F)F)[nH]n3)C[C@@H]2Oc2ccc(cc2)CN1 1772714019 YKFISHKPWZXOTR-DQEYMECFSA-N 581.576 2.847 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(CCn3cc(Cl)cn3)C[C@@H]2Oc2ccc(cc2)CN1 1772818081 YSUOJQDLCOVKJJ-SVBPBHIXSA-N 566.058 2.896 0 50 KFAA Cc1nc2sccn2c1C(=O)N1CCNC(=O)c2ccc3nc(CC(C)C)n(c3c2)CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1 1775978170 BYCXCNGBORCTNS-IRPSRAIASA-N 739.903 2.877 0 50 KFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1csc([C@@H](N)Cc3ccccc3)n1)CCCC(=O)NCCO2 1857705725 SMUSYKSBVGGITG-QFIPXVFZSA-N 535.670 2.855 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]21 1875240145 JTHDPZRYQZDQME-FCHUYYIVSA-N 526.553 2.839 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325901577 LXCMUEQXSSWESK-RPBOFIJWSA-N 586.670 2.819 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CCNC(C)=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952865980 ZPWVJNCMVVCMJG-NSOVKSMOSA-N 580.682 2.870 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)Cc3c(C)nc(C)nc3O)CC[C@@H]1OCc1cccc(c1)O2 1615712080 WUKBPMYRELEAFA-IZLXSDGUSA-N 603.676 2.921 0 50 KFAA COc1ccc2c(c1)C=C(CN1CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C1)CO2 1704323039 SORBEECPBVIVKO-JOCHJYFZSA-N 574.682 2.980 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(Cc2ncc[nH]2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704340243 RAVOEVYMKVOFJS-OKABYJMHSA-N 645.805 2.707 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc3nn[nH]c3c1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775981434 DIYVOAHXLIMCEC-SANMLTNESA-N 575.626 2.612 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cccc(-n3cccn3)c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857706580 LZYQVHNPFAVHAC-QCWAUVNRSA-N 703.804 2.999 0 50 KFAA Cc1c(-c2cc(C(=O)N3CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]4(CCCc5ccccc54)C(=O)NCC3)no2)cnn1C 2356136020 CZELKVRYQZERNN-MGBGTMOVSA-N 617.751 2.958 0 50 KFAA CN(C)CCCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952859386 UOEGBUCSCBFBOK-IZZNHLLZSA-N 596.132 2.588 0 50 KFAA CCc1cc(C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cs1 1704317981 LWDKFAROWOILGQ-LEEWXGEHSA-N 723.922 2.545 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)C2CCCC2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704323215 CCSMGKJDNJFTAZ-SZXZWWOQSA-N 756.008 2.967 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cccc4c3CCC4=O)C[C@@H]1NC(=O)CC2 1772713336 DDAIHEHKDZEDGA-YZNIXAGQSA-N 583.641 2.854 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)C1CCCC1)CCCCNC2=O 1857688929 NMEUZFINVIPZEU-RUOFSAEFSA-N 709.841 2.661 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCCn2cccn2)CCCCNC(=O)[C@@H](C)NC1=O 1704321544 SZMMCDABXVEEBP-RKVVATLDSA-N 671.843 2.979 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2Oc2ccc(cc2)CN1 1772713167 BOBDOMDRYNQTMA-UIOOFZCWSA-N 530.581 2.514 0 50 KFAA Cc1noc(C)c1CC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713586 LRJCMFFSTZOLJW-NSOVKSMOSA-N 574.634 2.720 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(Cc2ccncc2)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714137 BNBFGAPEMJIYEB-VVESYIHQSA-N 792.942 2.830 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2ccnc(C)n2)CCNC(=O)COc2cc(ccc2OC)C1 1857707114 ZYNKGHHHMRKNGR-HKBQPEDESA-N 581.714 2.593 0 50 KFAA Cc1sc(-n2cnnn2)c(C(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@]3(CCCc4ccccc43)C(=O)NCC2)c1C 2356135202 SYFSOKMJZUFUBQ-YTTGMZPUSA-N 634.807 2.916 0 50 KFAA COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OCC(=O)O 12418879 LCRZFCKYMUYIFF-NVNXTCNLSA-N 508.293 2.534 0 50 KFAA CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253617081 WSMQBJMPWPNLTJ-ULRCPWSLSA-N 742.639 2.698 0 50 KFAA CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2cc3c(cc21)OCCO3 334160551 HFJBJRCXRNPLBO-AREMUKBSSA-N 519.598 2.971 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCc2ccnn2C)CCNC(=O)c2csc1n2 1772707369 YSQKGJQQTFLVPO-ZEQRLZLVSA-N 646.774 2.987 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCC(=O)N(C)C)CCCNC(=O)c2csc1n2 1772817371 LBIIIXSTYKZVGY-IDISGSTGSA-N 653.831 2.957 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3cn4c(n3)SCC4)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513425 SITPBJIBCYPHSN-UHFFFAOYSA-N 504.609 2.931 0 50 KFAA C[C@@H]1NC(=O)CN(S(=O)(=O)c2ccc3c(c2)CCO3)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356137065 QJVUEBKAXZHFPM-QFIPXVFZSA-N 630.727 2.961 0 50 KFAA CCc1nccn1CCC(=O)N1CC[C@@H]2Oc3ccc(cc3)CNC(=O)COc3cc(ccc3C)C(=O)N[C@H]2C1 2356161447 WHBLFJDDDIHCMR-DQEYMECFSA-N 545.640 2.631 0 50 KFAA CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 16700174 LNYQSZWHGJKGOV-LYRGBEMXSA-N 522.579 2.741 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccncc1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772713882 VVICCQOWMWTBJS-QHCPKHFHSA-N 530.581 2.984 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(S(=O)(=O)c1c(C)nn(C)c1C)CCNC2=O 1857724481 YCTNGNDOKRPJDR-MUUNZHRXSA-N 664.789 2.631 0 50 KFAA Cc1cncc(C(=O)N2C[C@H]3c4cccc5c4OC[C@@]3(CNC(=O)CN(C(=O)Cc3csc(C)n3)CCCO5)C2)c1 1940197874 YPSHHFUBXKKJOC-QABMSTFYSA-N 575.691 2.743 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cnc(-c4cccnc4)nc3C)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160450 SPHDZVNABICOES-YTMVLYRLSA-N 624.654 2.575 0 50 KFAA O=C(CCC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1)N=c1ccc2nc(O)[nH]c2[nH]1 1875351092 KPPVPMJGHLYBIH-UHFFFAOYSA-N 524.335 2.853 0 50 KFAA CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@H](n4cc(CN5C(=O)COCC5=O)nn4)C3)cs2)cc1 1875361245 QXXADTVGMAKCHA-IBGZPJMESA-N 524.603 2.552 0 50 KFAA COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225413860 BQUZYHQDZLECFO-IMFGXOCKSA-N 522.554 2.536 0 50 KFAA biogenic C[C@@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@H]3[C@H]1[C@@H]1CC[C@@H]5O[C@H](N6C(=O)CCC6=O)[C@]4(C)[C@H]3[C@H]51)O[C@@H]2N1C(=O)CCC1=O 253596818 WHKWKQIREHTRPI-JDQPJZHGSA-N 520.626 2.551 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(OCC(N)=O)cc2)C[C@H]1C 888089927 QEWJXUXZBOFJAZ-DGPUCJDLSA-N 637.045 2.703 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cc(=O)cc(C)[nH]3)CC[C@H]1OCc1cccc(c1)O2 952863524 BKSMMWVRUJCLEC-WUFINQPMSA-N 574.634 2.876 0 50 KFAA COCCC(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)C1 1704322140 IBLNDCKIOOSSPJ-VWLOTQADSA-N 583.089 2.627 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3ccc(N(C)C)nc3)C[C@@H]1NC(=O)CC2 1772817139 HUPHSDGPMIVPHM-LSYYVWMOSA-N 559.667 2.546 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3cncn3C)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952864960 TYYUTRAWNYUWTR-AZGAKELHSA-N 531.613 2.533 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)CCOC)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952868451 OXIRPVAYLTVSLY-RRPNLBNLSA-N 597.709 2.938 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1cccc(OC)c1OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321490 QRTNSKIDDJPYCC-FHFPRHJOSA-N 745.874 2.717 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CNC(=O)N(C)C)CCCC(=O)N[C@H]2Cc1ccccc1 1800430320 LRLHXYNAESTSPV-NVQXNPDNSA-N 666.805 2.590 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)CCN2CCCC2=O)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857699417 PDNQZDZTFFROMZ-FKVNTCEUSA-N 754.933 2.799 0 50 KFAA COc1ccc2cc1OCC(=O)NCCN(C(=O)/C=C/c1ccccc1)CCCC(=O)NC[C@](CC1CC1)(C(=O)NCCCn1ccnn1)C2 1875241820 FLXWIRJVWFTNBD-ZGZYZTDYSA-N 685.826 2.769 0 50 KFAA COCC1(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)CC1 952865930 YBCSNDLVBMFLBB-NSOVKSMOSA-N 579.694 2.665 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccnc(C(C)C)n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952868601 BMKPXTQRKQZCEA-NDEPHWFRSA-N 640.745 2.825 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cnc3ccccc3n1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714248 HKDJZGLGNCATTA-JOMNFKBKSA-N 639.761 2.513 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cn2ncc3ccccc32)CCNC(=O)COc2cc(ccc2OC)C1 1857699286 LBANVLNPBGDGCB-UUWRZZSWSA-N 633.746 2.871 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@@H]1NC2=O 2356161020 CIOZPETVGHPFOM-FIPFOOKPSA-N 608.047 2.759 0 50 KFAA O=C(Cn1cnc2c(I)cc(I)cc2c1=O)Nc1ccc2c(c1)OCO2 100744139 SMBMBKLAJMTRMV-UHFFFAOYSA-N 575.100 2.973 0 50 KFAA Cc1nc(C)c(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)c(O)n1 952864257 NHAJDWPDHFPEQS-WUFINQPMSA-N 587.677 2.841 0 50 KFAA COc1cc2ccc1OCC(=O)NCCN(C(=O)C1CCOCC1)CCCC(=O)NC[C@@](CCC(C)C)(C(=O)NCc1c(C)n[nH]c1C)C2 2356162682 IGQZBPQXBDHUFT-BHVANESWSA-N 682.863 2.977 0 50 KFAA CC(C)CN1CC[C@@H](N2CCN(c3ccccc3F)CC2)[C@@H](CCC(=O)NCCN2CCOCC2)C1 11786408 OFVGDHOGKXVEAZ-AZGAKELHSA-N 503.707 2.523 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100839430 OAMQRWBHKOAHPO-AQIZGWBQSA-N 552.605 2.749 0 50 KFAA CC(=O)N1CCC(C(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 952856647 BMSVTPKGWOTFOC-VMPREFPWSA-N 546.668 2.928 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc(Cl)cn1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714603 ZGBXRBLSXOZXBY-NAKRPHOHSA-N 623.158 2.618 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccccn2)CCNC(=O)COc2cc(ccc2OC)C1 1775978310 RESXUJGHZVFPTM-HKBQPEDESA-N 580.682 2.530 0 50 KFAA CCOC(=O)c1n[nH]cc1C1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)CC1 2325872811 NQVCWZYNKUFALZ-OAHLLOKOSA-N 503.987 2.810 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 14396123 UXNOBMGWMBAJDM-YJADQXIJSA-N 524.595 2.833 0 50 KFAA CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59731957 GJDXWWOZLAIHKJ-AREMUKBSSA-N 584.720 2.775 0 50 KFAA CCOC(=O)C1=C[C@H]2C=C[C@@H]([C@@H]1C(=O)OCC)[C@H]1C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@@]12OCC 254308773 RXNVFICWEXYGQG-GNRKKAMGSA-N 646.686 2.722 0 50 KFAA Nc1nc(CCC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cs1 952857399 FXLKOGRVJVLYFO-NSOVKSMOSA-N 621.760 2.910 0 50 KFAA COc1cc(C(=O)N2CCCCNC(=O)c3ccc(OC)c(c3)Oc3cccc(OC)c3CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C2)ccc1F 1857704417 QXDQXIICOBIXQR-LMWZEWGUSA-N 765.836 2.932 0 50 KFAA O=C1NCCCN(C(=O)c2ccc(-n3cccn3)cc2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356133862 IPUQFQDJHUPOQM-AHYRAJCISA-N 538.652 2.951 0 50 KFAA CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 9475058 AMJJNCXVWYTEAD-FQEVSTJZSA-N 526.659 2.916 0 50 KFAA Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 952858984 LWVMRAYDTQFJCP-SVBPBHIXSA-N 565.696 2.882 0 50 KFAA O=C1CN2C(=O)[C@]3(CCN(C(=O)CCN4CCCCCC4=O)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952861775 AUTAQTQYBMXLNO-IGYGKHONSA-N 544.652 2.936 0 50 KFAA COc1cc2ccc1OCCn1cc(nn1)COc1c(cccc1OC)CN1C[C@@H]3CCN(C2=O)[C@@H]3C1 1704322663 OBKRWGKIEXYKKP-SIKLNZKXSA-N 505.575 2.613 0 50 KFAA COCC(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1857704260 KRIFMEHWHAINTQ-CYFREDJKSA-N 598.751 2.735 0 50 KFAA C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCN(Cc4nc(O)c5sccc5n4)CC3)ccc2S1 2325875938 GNAQFDCMRPJREN-CYBMUJFWSA-N 505.647 2.726 0 50 KFAA CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C 95810519 NKLGIWNNVDPGCA-ZDYKNUMJSA-N 759.931 2.968 0 50 KFAA biogenic,in-vitro O=C(O)COCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 96031984 LNIFRTLAPAPKAG-UHFFFAOYSA-N 517.575 2.693 0 50 KFAA CCOc1ncccc1C(=O)N1CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC1 1775981494 FLCDXLMNRAGUJJ-IDISGSTGSA-N 621.739 2.629 0 50 KFAA CS(=O)(=O)N1CCC(c2cn(Cc3cccc(C(=O)N4CCc5c(C(=O)O)ccc(F)c5C4)c3)nn2)CC1 1875324489 APNMWAHAANJHDK-UHFFFAOYSA-N 541.605 2.501 0 50 KFAA CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C 161519650 IKDVXNASCSGIHM-HKSGEONESA-N 672.724 2.586 0 50 KFAA biogenic COCCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O 409414344 KQEPLDPLAWGQQF-BVSLBCMMSA-N 546.665 2.657 0 50 KFAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 642881847 VMJAZLFMKBNUML-UHFFFAOYSA-N 714.887 2.633 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1c(C)noc1C)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775979961 QJZGLGOYNLKOPO-VWLOTQADSA-N 553.616 2.945 0 50 KFAA COc1ccc([C@@H](CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)n3ccccc3nc2=O)cc1 1848442650 DIAPXEXZDUBXJG-OAQYLSRUSA-N 572.618 2.972 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1cnccn1)CCN(C(=O)Cc1cccnc1)CCC(=O)NC[C@H]1CCCN3C1 1857724494 YLBDMFWQTYYZKH-RUZDIDTESA-N 682.782 2.896 0 50 KFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857741488 VIAQNOJJBHXZAE-PMERELPUSA-N 637.741 2.896 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(Cc1cnn(C)c1)CCNC2=O 1940197612 CMULANSPEXADKJ-MUUNZHRXSA-N 586.697 2.825 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 1739783 PJHMTIAAJVOQQC-ULWNEYHBSA-N 575.643 2.859 0 50 KFAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc34)C2)c1 14540184 LWIWMBYRBCWRTE-UGKGYDQZSA-N 506.603 2.947 0 50 KFAA Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCN(C(=O)[C@@H](O)c4ccc(Cl)cc4)CC3)c2C1=O 15071804 LOZNDNRDIHBWOK-QHCPKHFHSA-N 507.978 2.560 0 50 KFAA CO[C@@H]1C[C@H](O[C@H]2CC[C@H](O[C@@H]3C[C@H](O)c4c(oc5c6c7c(c(O)c5c4=O)-c4c(cc5c(c4O)C(=O)N4CCO[C@]4(C)C5)C[C@H]7OCO6)[C@H]3O)O[C@@H]2C)O[C@H](C)[C@H]1O 169742150 JXSADZFORZMJRI-KUPVXKSBSA-N 809.818 2.856 0 50 KFAA biogenic,in-vitro Cc1cc(C)n(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@H]3C2)c(=O)n1 952861840 CAANJUPEFMXTML-XZWHSSHBSA-N 629.714 2.877 0 50 KFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCCCC(=O)N3C2)c(C)o1 1704323480 TYAMOLFECMVTOD-OXLONZOTSA-N 651.805 2.886 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cccc3c1CCC3=O)CCCCNC2=O 1857704859 INEKHBHVQZCDTB-YDHMPYFVSA-N 771.868 2.914 0 50 KFAA CC(C)S(=O)(=O)c1ccccc1N=c1[nH]c(Nc2ccc(N3CCN(CCOCCNC(=O)CNc4cccc5c4C(=O)N([C@@H]4CCC(=O)NC4=O)C5=O)CC3)cc2)ncc1Cl 2357003036 NFXUYJNRWVKYFF-MGBGTMOVSA-N 887.420 2.989 0 50 KFAA CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)CC1 35986650 KFGNKCMMWWTJAZ-UHFFFAOYSA-N 506.378 2.744 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100598964 DKILWARHNQIYCY-ITIZVALFSA-N 550.589 2.658 0 50 KFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O 144246189 YFJQAGLTWPGDHR-XBJMDHIQSA-N 595.696 2.743 0 50 KFAA COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC[C@]5(O)C(=O)COC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257350170 VHUKGPDDOKOJMT-BGVJIOGDSA-N 708.798 2.971 0 50 KFAA Cc1[nH]c2c(c1C(=O)N1C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C1)C(=O)CCC2 952864363 VDMDHABHIATNKR-REWPJTCUSA-N 553.019 2.709 0 50 KFAA Cc1nc(N(C)C)ncc1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772816806 BZAPAQKYUIBLKU-NVQXNPDNSA-N 659.773 2.708 0 50 KFAA CC(C)C[C@@H]1NC(=O)CCCN(C(=O)CNS(C)(=O)=O)CCCNC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818558 URAYXPGBCUYHMI-GOTSBHOMSA-N 703.913 2.808 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1 625769 CXQYWKSHDOTWCM-RWTNITNYSA-N 520.563 2.649 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 253413490 UXNHZTTXFZLBTN-APTRMMRNSA-N 633.789 2.700 0 50 KFAA biogenic CC(C)[C@@H]1NC(=O)CN(C(=O)C2CCN(C(=O)N(C)C)CC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817830 SXPFIOPHYWJADR-HOFKKMOUSA-N 678.816 2.624 0 50 KFAA COCCn1ccnc1CN1CCCCOc2cccc(c2)[C@H]2CN(C(=O)COc3ccccc3)C[C@@H]2NC(=O)C1 2100533494 RVFHYYVWNNMBLZ-IZLXSDGUSA-N 561.683 2.694 0 50 KFAA O=S(=O)(NC[C@H](O)CN1CCCC1)c1cc(C(F)(F)F)cnc1N1CCCN(Cc2cc(F)ccc2F)CC1 2325823122 FSHOQUQOTLKBMR-NRFANRHFSA-N 577.620 2.826 0 50 KFAA COC(=O)CN1C(=S)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(I)cc1 2729751 TWMDFISNSPFPKU-KRWDZBQOSA-N 537.379 2.791 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3ccnc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952855919 RWOIHYBYLVAFRA-WUFINQPMSA-N 619.719 2.798 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]1OCc1cccc(c1)O2 952859371 UAKKMNZFANLAKJ-NSOVKSMOSA-N 618.691 2.558 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)C3CCCCCC3)CC2)C(=O)N[C@H]1Cc1ccccc1 952868028 AJUWYVIEWVVDJO-VWLOTQADSA-N 520.678 2.647 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)CCCN(C(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)CCCNC1=O 1704318625 OMRLITNDGXYOCA-HOYKHHGWSA-N 592.524 2.591 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)[C@H]1Cc3ccccc3CN1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775982336 SNFWUHVLKWPANN-GIGWZHCTSA-N 589.693 2.741 0 50 KFAA COCCC[C@]1(C(=O)NCc2c(C)noc2C)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857690787 LKSATMDZEOXIJM-JGCGQSQUSA-N 602.692 2.852 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cnc[nH]2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857691115 UWQIPKNJWIUKRO-HJEVSJOPSA-N 709.852 2.823 0 50 KFAA C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 1875352517 JZAXRRVTQJTRFL-VWEIPLKFSA-N 592.722 2.721 0 50 KFAA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)C2)CC1 2325776660 HVTVUIFRLMQCLW-UHFFFAOYSA-N 532.623 2.713 0 50 KFAA COC(=O)CN1C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 59768543 GYMFECGFJOUJFQ-KRWDZBQOSA-N 523.489 2.996 0 50 KFAA CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)O[C@@H]2[C@H]1C 253634689 IUPCWCLVECYZRV-BSIKNLKYSA-N 581.747 2.670 0 50 KFAA CC[C@H](O)[C@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@]2(C)CC(C)=C(O2)[C@@H]1C 255990215 NMIWBQUQCOMGHJ-TZJLYGBHSA-N 715.922 2.892 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cccnc3N)C[C@@H]1OCc1cccc(c1)O2 952863578 AXFYEEBVOLWHDU-NSOVKSMOSA-N 590.681 2.684 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(Cc1cnc[nH]1)CCNC(=O)CC2 1875241670 VXOSZMULFJCNQY-DEOSSOPVSA-N 533.629 2.988 0 50 KFAA Nc1ccccc1C(=O)NCCc1cn([C@@H]2C[C@H]3CC[C@@]2(NC(=O)c2ccc(-n4ccnc4)cc2)C3)nn1 2325849218 IVXPZQUUCDZLML-UUPLDMHLSA-N 510.602 2.932 0 50 KFAA CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)O1 2332918167 HQEBGENSMXBRMP-MPHHGIOVSA-N 671.880 2.929 0 50 KFAA COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 26011099 HYFHYPWGAURHIV-JFIAXGOJSA-N 545.629 2.581 0 50 KFAA biogenic,fda CCC[C@H](C)C[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 257372310 GPIYLYZFGAXYSU-DPBGLGGCSA-N 721.838 2.564 0 50 KFAA in-vitro COc1ccc(C[C@@]2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 263585001 CZHXWJUFFYDJKV-BTOMHAHJSA-N 556.619 2.797 0 50 KFAA biogenic Cc1cc(C(=O)N2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC2)c(-c2ccccc2)o1 952864092 LDQJBBIGSFHBHC-BTYSJIOQSA-N 614.703 2.918 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C(=O)N[C@H]1Cc1ccccc1 952866520 AQEBVBILWQEILL-VWLOTQADSA-N 549.075 2.573 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cc(F)cc(Cl)c2)CCN(C)C(=O)[C@@H](C)NC1=O 1704322100 GVQUCUPIIAFUIG-WSDOZCAUSA-N 742.274 2.714 0 50 KFAA CN(C[C@@H]1COCCO1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 14972327 WARIENQKJPVMLV-XMSQKQJNSA-N 505.571 2.608 0 50 KFAA CC(C)=CCC/C(C)=C/CN1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 952861552 AQFXHBASXSBJMY-IQWRVINYSA-N 561.731 2.621 0 50 KFAA CCn1ccc(C(=O)N2CCOCCOc3ccc(cc3)[C@@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C2)cc1=O 1704323608 RSWLAWCWNXWWKA-SSEXGKCCSA-N 561.635 2.911 0 50 KFAA Cc1cccc(N2CCN(CC(=O)N3CCCNC(=O)CC[C@H](c4ccccc4)CCNC(=O)C3)CC2)c1 1875240760 YYXSWJVGUOMJEA-SANMLTNESA-N 519.690 2.536 0 50 KFAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)CC1 645983 LQPUVNFFCPMYOL-UHFFFAOYSA-N 505.593 2.508 0 50 KFAA CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O 256069929 CBVCZFGXHXORBI-DYZMFAGHSA-N 613.803 2.867 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCN(C(=O)c4ccccc4C)CC3)C[C@@H]1NC2=O 1704329527 WGYCUGLYMPHNME-IZEXYCQBSA-N 626.710 2.953 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)Cn1nc2ccccc2n1)CCN(C(=O)c1[nH]cnc1C)CCC(=O)NC[C@H]1CCCN3C1 1875251658 IRNJNVZXQOLPKC-XMMPIXPASA-N 724.823 2.944 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCc3ccccn3)C[C@@H]1NC(=O)CN(CCCO)C2=O 952857572 XWBHZFLREQCANC-NSOVKSMOSA-N 602.688 2.956 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc(C)s1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952861953 DPLHHKHPOHTLII-DNBKINIGSA-N 697.859 2.688 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952864254 JMXYYDVYNPYAOK-UIOOFZCWSA-N 562.671 2.883 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccc3cccc(F)c3n2)CCNC1=O 952865895 XHYJVBBLNJVYRS-GJMJJNOCSA-N 737.233 2.913 0 50 KFAA O=C(NCc1cn(-c2cccc(Cl)c2F)nn1)C1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1 1875340811 SWQORSBEHAIAAN-UHFFFAOYSA-N 544.378 2.858 0 50 KFAA Cc1nc2ccc(-n3cc(CCCNC(=O)C[C@@H]4NC(=O)N(c5ccc(F)cc5)C4=O)nn3)cc2s1 2325850354 VRRKUFQGAVQGRJ-FQEVSTJZSA-N 507.551 2.888 0 50 KFAA CC(=O)N1CC[C@@H](n2cc([C@@]3(O)CCCN(C(=O)c4ccc(NC(N)=O)cc4)CC3)nn2)c2ccccc21 2325853232 IZWVBTJPOASBIH-YIXXDRMTSA-N 517.590 2.629 0 50 KFAA CCN[C@H]1C[C@H]2C(=O)NCc3nc(oc3C)-c3ccc(c(OC)c3)Oc3cc(ccc3O)CCC(=O)N[C@H](C)C(=O)N2C1 2356138129 FKMVVHYXRCIGHY-FHZYATBESA-N 591.665 2.803 0 50 KFAA CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O 94303286 JFVYXJKGJMUGRG-KJPZRSJGSA-N 715.922 2.892 0 50 KFAA biogenic,in-vitro COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)N(Cc3cc(C)ccc3C)C2)nn1 299757492 IADFSQREPLKJGU-CMNQHTDYSA-N 508.667 2.878 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 409413115 CSYVSOAOHJUQBX-HJOGWXRNSA-N 544.693 2.686 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(Cc2ccc(OC)nc2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704319571 XGLRWBLDOJOUPL-APGNEEACSA-N 781.018 2.854 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCCNC(=O)[C@@H](C)NC2=O 1704321130 DHNCEESNIYONTL-LJQANCHMSA-N 608.643 2.904 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccncc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713787 SOVXEXHUGQOGFU-XNSHOJTPSA-N 648.809 2.792 0 50 KFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)o1 1857711591 IGYPYHVQQKUNPV-DLBZAZTESA-N 581.573 2.847 0 50 KFAA COC(=O)c1ccc(C(=O)N2CCCNC(=O)c3cccc(c3)OCCn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)C2)nc1 2356136548 YZFUHQIWNKJFLY-NRFANRHFSA-N 611.659 2.659 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3ccc4nc(C)oc4c3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160238 JQLZRAZNBPFGQA-LSYYVWMOSA-N 586.601 2.864 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2cc(C)c(-c3ccccc3)s2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 952863561 QELXFNLMEMDBHQ-NWTQBEKWSA-N 673.836 2.516 0 50 KFAA N[C@]1(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCc2c1ccc(F)c2Br 952881049 PZIUWYUKYSEEDH-HSZRJFAPSA-N 502.388 2.781 0 50 KFAA COc1ccc(C2(C(=O)N3CCCNC(=O)c4nn(C)c5c4C[C@@H](CC5)N(C)C(=O)CCC3)CCCC2)cc1 1857725783 MWBIDRFSTOMIER-JOCHJYFZSA-N 535.689 2.999 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCCn1cncn1)CCCNC(=O)[C@H]1CN(C(=O)c3cc4ccccc4n3C)C[C@H]21 1875240368 BOJJLNZGEYZAIK-FTJBHMTQSA-N 613.719 2.842 0 50 KFAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)ccc2-3)C[C@H](C)O1 17917184 ONYWOCHJPPNYRB-CADBVGFASA-N 520.673 2.854 0 50 KFAA CC(C)Oc1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1 253406695 JDKKMTWZUQODLT-RFWXGWTQSA-N 519.598 2.921 0 50 KFAA biogenic COc1ccc(C(=O)N2C[C@@H]3NC(=O)CN(C)Cc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)c(OC)n1 952864686 YWHXAOOMUJHIRY-OZXSUGGESA-N 562.623 2.871 0 50 KFAA N[C@@]1(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCc2c1ccc(F)c2Br 952881061 PZIUWYUKYSEEDH-QHCPKHFHSA-N 502.388 2.781 0 50 KFAA CN(C)c1ccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cn1 1772817078 GMWBIIOFPXELDC-NSOVKSMOSA-N 585.661 2.647 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2nnc3n2CCCCC3)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316250 KZZPLZJTIQGUOG-ALPFSRSFSA-N 728.895 2.942 0 50 KFAA Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC[C@H]4CCCO4)cc3)c(=O)c3ccccc32)cc1 8593504 OYBJXCNQOYJXSD-XMMPIXPASA-N 526.593 2.937 0 50 KFAA COc1ccc(CN2C[C@@H](C(=O)NCCN(C)C)C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1OC 14752290 RWGDNDBIXJMVGM-BJKOFHAPSA-N 508.663 2.947 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CCc3cnn(C)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952863254 VGMCVCIKXANYLL-NSOVKSMOSA-N 559.667 2.852 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@H]2CCCN2)CCCNC(=O)c2csc1n2 1772817080 GPLDINAUBACRBN-CZSZKKDXSA-N 623.805 2.841 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2ccno2)CCNC(=O)COc2ccc(cc2OC)C1 1800430726 WQRSLRUIMXMIRV-SSEXGKCCSA-N 586.686 2.759 0 50 KFAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCOc2cccc(c2)CC[C@@H]2CCCCN2C(=O)C1 1857706527 JTIRLRDBBPFULL-QFIPXVFZSA-N 504.591 2.666 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)CCn4c(C)cc(C)nc4=O)C3)CN1C(=O)CC2 2356134398 LISLTYPARGJOOJ-ITHJLQSDSA-N 621.779 2.808 0 50 KFAA CN(C)CCNC(=O)COc1c2cccc1Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)C2 150564784 CQVAQQNDZCZBSU-UHFFFAOYSA-N 937.196 2.590 0 50 KFAA investigational CC[C@H]1CN(C(=O)c2cc(C)cc(Cl)c2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704319623 YQDDVCNVFJTALP-FBZFJNBBSA-N 612.171 2.762 0 50 KFAA COc1cccc(CC(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)c1 1772713779 SEJKWJPBMHLWTO-NSJVFKKDSA-N 631.778 2.507 0 50 KFAA CC1(C)COc2cc(NC(=O)C(=O)N3CCN(c4cnn(-c5ccccc5)c(=O)c4Cl)CC3)ccc21 1875352166 VYWFNMMFSKHPHR-UHFFFAOYSA-N 507.978 2.843 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl 677727 ZSHHLARRPAIYET-AFHVAHMMSA-N 512.971 2.996 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C2CC2)CCCCNC(=O)[C@@H](C)NC1=O 1704318465 OPWKNFVVVKBQLS-LDVROUIZSA-N 603.764 2.712 0 50 KFAA Cc1cc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)nn1C 1704322838 QKMLIEGBTLQJRD-TZFWCWEWSA-N 657.816 2.658 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)c3cnn4ccn(C)c34)CC(=O)N1CC2 1704322939 SJWSNBFUCQCBTJ-MUUNZHRXSA-N 559.623 2.716 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325899145 QUKVPIPQMMDZDR-CLJLJLNGSA-N 586.670 2.819 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccccn2)CC1=O 2356134154 AYXZPFANCAISTI-PMERELPUSA-N 533.673 2.657 0 50 KFAA Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1I 2861445 YLKAIUYNSTUPHE-UHFFFAOYSA-N 503.387 2.977 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1noc3c1CCCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863441 JJWCWJUNMSEUBC-MHZLTWQESA-N 641.729 2.778 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1cccc(NC(C)=O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704323830 ZNVCGEPCTQCMHQ-PFDXXMEMSA-N 742.874 2.658 0 50 KFAA CCOc1ccc(C(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1OCC 1772703200 CWEGEGYNHMSTNZ-BXTSTYNKSA-N 718.856 2.618 0 50 KFAA CCN1CCC[C@H](n2cc(C3(F)CN(C(=O)[C@H](NC(=O)c4ccc(OC)cc4)c4ccccc4)C3)nn2)C1=O 2325869433 NJBXZSJRVJRMEX-LADGPHEKSA-N 534.592 2.648 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775981085 NZHZNKPAFUJBRU-NDEPHWFRSA-N 641.747 2.736 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)CCc2nc3ccccc3s2)CCNC(=O)COc2cccc(c2)C1 1857698494 UUNKVRRCFORKEZ-YTTGMZPUSA-N 624.760 2.901 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857702150 BMKHSPKYVUMUCC-JGHDDGBYSA-N 701.869 2.957 0 50 KFAA Cn1cc(C(=O)N2CCC(C[C@@H]3CC(=O)NC3=O)CC2)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 2325878509 RYQDHWIODWVSLV-FCHUYYIVSA-N 521.618 2.841 0 50 KFAA Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1 4917380 WZRBAVDJTYIQBI-GJGGBTFWSA-N 595.568 2.907 0 50 KFAA in-vitro Cc1ccc(C)c(N2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCCCCC5)cc43)CC2)c1 8604031 MDSAVDNZINVPBW-UHFFFAOYSA-N 540.686 2.942 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C/C=C/c3ccc(OC)cc3)C2)nn1 12166859 CQLDWOCEQYHXSK-FZMRSDKKSA-N 507.566 2.900 0 50 KFAA COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 95599165 HYFHYPWGAURHIV-WPUBFDFZSA-N 545.629 2.581 0 50 KFAA biogenic O=c1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)oc(CN2CCN(c3ccc(F)cc3)CC2)c1O 225419071 URWVKFSFQIVJLP-UXHICEINSA-N 506.578 2.588 0 50 KFAA biogenic CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2csc(C)n2)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772705137 PJLNEDNDZVICRC-DTVJOPFRSA-N 826.981 2.840 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2ccc(=O)n(C)c2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857703121 UPLFZSWKMJHXMR-XYPLQDTNSA-N 750.901 2.799 0 50 KFAA Cn1cc(Cl)c(C(=O)N2CCCOc3cccc4c3OC[C@@]3(CNC(=O)C2)CN(C(=O)CCC(F)(F)F)C[C@@H]43)n1 1875240507 VRWBVRMZRLJGBX-SSOJOUAXSA-N 583.995 2.762 0 50 KFAA COCC(C)(C)C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(ccc3OC)C(=O)N(CCCO)CC(=O)N[C@H]2C1 952857266 CDDYBVGBOHAQIR-DQEYMECFSA-N 583.682 2.601 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(Cc3ccc(C(=O)O)o3)nn2)c1 1875325364 WIIIUALVNBFFCA-UHFFFAOYSA-N 541.561 2.550 0 50 KFAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)cc2)C[C@H](C)O1 109123965 ARDVVOZSPFIVHN-GJZGRUSLSA-N 566.639 2.934 0 50 KFAA Cc1ccn(CCC(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)n1 1772818009 WKXIPURXOIRRMB-CUNXSJBXSA-N 632.747 2.825 0 50 KFAA COc1ccc(CN2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1CN1CCCC1 1857697717 JSEGOVCGAWFEJO-YUXUKGBOSA-N 729.927 2.784 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(Cn3cccn3)o2)CCNC(=O)COc2cc(ccc2OC)C1 1857705103 SOQACIPLKZFHFD-UMSFTDKQSA-N 649.745 2.973 0 50 KFAA COc1ccc([C@H](CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)nc3ccccn3c2=O)cc1 2049251981 OUBVZTZVAYUKSD-NRFANRHFSA-N 572.618 2.972 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2c3c(nn2C)CCCC3)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533310 JYWWXBWGCXXGJG-AREMUKBSSA-N 575.714 2.734 0 50 KFAA COc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)[nH]n2)c1 9610974 XSIUWUYBFMZSSI-UHFFFAOYSA-N 505.394 2.995 0 50 KFAA COc1ccccc1CN[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H](NCc4ccccc4OC)C3=O)cc2)C1=O 100753500 BXBRBVVXOLLZSF-ZEQRLZLVSA-N 542.592 2.547 0 50 KFAA CCCc1nc(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cs1 1704322252 LHTUEGIYNJAZEN-RDPSFJRHSA-N 550.637 2.815 0 50 KFAA COc1ccc(-c2oc3c(c2CC(=O)NCCS(N)(=O)=O)C(=O)[C@@]2(Oc4c(Cl)c(OC)cc(OC)c4C2=O)[C@H](C)C3)cc1 1848443234 ZYAZHIJPPOONSP-ONSXPEOJSA-N 633.075 2.962 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc3nn[nH]c3c1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533781 ZYIZACVGLNUYEV-MHZLTWQESA-N 622.686 2.599 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 13766269 XTHWBTWOSZFXSQ-XPCGLTFESA-N 522.579 2.741 0 50 KFAA COc1ccccc1CCC(=O)N1CCN(CCOc2cccc(CN(C)C[C@@H]3CCC(=O)N3)c2)CC1 14880811 ZDQWYWMWEACQCK-VWLOTQADSA-N 508.663 2.561 0 50 KFAA COc1ccccc1CN[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](NCc4ccccc4OC)C3=O)cc2)C1=O 100753495 BXBRBVVXOLLZSF-PSWAGMNNSA-N 542.592 2.547 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cc1c(C)nc3ccccn13)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863153 GHEYXBCGCLABIL-LJAQVGFWSA-N 664.767 2.797 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3ncc(C)c(OC)c3C)C[C@@H]1NC2=O 1704319572 WUBAZVOTUWXHCM-IGKIAQTJSA-N 546.624 2.786 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857699062 GKXUBHCBBVYAFX-KFDULEKRSA-N 615.779 2.629 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 100790343 YWMCBYWCSIMJMV-JDCXBEBJSA-N 534.546 2.830 0 50 KFAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2NC(=O)CN(CCOC)C(=O)c3cncc(c3)Oc3cccc(c3)CO[C@H]2C1 952861686 FIKUQNAECNNOAK-UIOOFZCWSA-N 583.089 2.811 0 50 KFAA Cc1cnn(CCC(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)c1 1704317094 FLXYWUYOMFGPPL-RKVVATLDSA-N 671.843 2.897 0 50 KFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)no1 1704322063 FZYQIIULARLKEK-NZQKJNGVSA-N 576.698 2.852 0 50 KFAA Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(Cc2nccn2C)CCCN3C(=O)CC(C)C)s1 1704341090 PTSMWPXOAVWERQ-GOTSBHOMSA-N 557.765 2.754 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccn1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775980677 GZEYUJGSJQCIIE-VWLOTQADSA-N 535.601 2.736 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)[C@H]1CCCNC1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1857707023 WPQVPWJHOBJOPY-LOSJGSFVSA-N 589.693 2.613 0 50 KFAA Cc1nc(-c2ccccn2)nc(O)c1CC(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1875352643 ODOAERYBWQKFQK-UHFFFAOYSA-N 507.352 2.554 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cc(C3CC3)no2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704324776 SYIIKWIWPHPDDM-PWUSVURUSA-N 773.917 2.612 0 50 KFAA CN=c1ncc(C(=O)N2CCCCNC(=O)c3ccc(OC)c(c3)Oc3ccc(c(OC)c3)CNC(=O)[C@H](C)NC(=O)[C@H](CCc3ccccc3)NC(=O)C2)c[nH]1 1857688780 AJAZMIAGBUXECN-IEWVHIKDSA-N 780.883 2.654 0 50 KFAA Cc1c(C(=O)N(C)C)sc(NC(=O)c2c(I)cnn2C)c1C(=O)OC(C)C 2780205 UABQKECMGZRFFW-UHFFFAOYSA-N 504.350 2.914 0 50 KFAA O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc(Br)cc1Cl 59630642 VTPVIWCFTZMSKA-UHFFFAOYSA-N 529.848 2.692 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCc1nc3ccccc3[nH]1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704317712 JXRZWMCXFMVWPZ-GDLZYMKVSA-N 587.681 2.546 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)CCCN3CCCC3=O)CC(=O)N1CC2 1704322935 MFIHYVXSPSYZCI-HKBQPEDESA-N 565.667 2.818 0 50 KFAA COc1cccc(F)c1C(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1 1772713798 UATCJGVMGBSILO-RNAHPLFWSA-N 635.741 2.718 0 50 KFAA Cc1noc(C)c1CCC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CC2)NC(=O)[C@@H](C)NC1=O 1772714235 GUGIRMCDGNIBCF-ZSPIXBMDSA-N 714.864 2.756 0 50 KFAA Cn1ccnc1CN1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)/C=C/c1ccccc1)C[C@@H]32 2100533068 YETCDLYMKYNMHZ-REZVWEOZSA-N 541.652 2.839 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCc1c(C)nc(O)nc1C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533262 IFGFLKUVSRNBEW-NDEPHWFRSA-N 655.756 2.759 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cccc5ncccc45)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100534229 YVOKFUVZTWDVFJ-IIZRZWLFSA-N 567.690 2.940 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3cccc(OC)c3OCCn3ccnc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321590 AWVMNFDWKBUECB-OUDZLNJNSA-N 733.911 2.699 0 50 KFAA COc1ccc2cc(CN3CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c4csc(n4)[C@H](Cc4ccccc4)NC(=O)C3)c(O)nc2c1 1704324358 NKPIOCNPGBNARS-VQODHXCYSA-N 772.929 2.544 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1)CCCNC2=O 1857711891 PFFQQDBNTNNWIO-AREMUKBSSA-N 531.609 2.884 0 50 KFAA CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)Cc2csc(Nc3ccc(Cl)cn3)n2)C1=O 1875351465 XBFHDTWKWMHIFA-UHFFFAOYSA-N 513.967 2.609 0 50 KFAA Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCc3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4=O)=[N+]1[B-]2(F)F 2325870365 UPTRTXQWDUWCLJ-DEOSSOPVSA-N 589.408 2.636 0 50 KFAA COC(=O)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@H](C)O 150662606 XGIYRSDOWKIVMX-KVUDDLCYSA-N 720.820 2.558 0 50 KFAA NC(=O)[C@H]1CCN(c2ncnc(N)c2F)C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O 207092693 QLRRJMOBVVGXEJ-XHSDSOJGSA-N 529.926 2.653 0 50 KFAA in-vitro CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(OC)c(O)c2)c1O 253496537 LUUHOZXTPDMKON-MRXNPFEDSA-N 510.499 2.951 0 50 KFAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)NC1=O 952865121 NBQKVOMHVZTGCV-NQIRKQEASA-N 693.723 2.665 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772816957 FBTUMIDQKYREOB-DWACAAAGSA-N 671.736 2.875 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cnccn1)CCNC2=O 1857727546 STYJRQJXLABIJY-HHHXNRCGSA-N 598.664 2.522 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)CC(C)C)CCCC1=O 2356136500 XJFJIYODKIODBW-GDLZYMKVSA-N 512.695 2.994 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(Cc1cccnc1)CCCNC2=O 2356138649 OGPPROAUJIHJAH-SANMLTNESA-N 535.649 2.518 0 50 KFAA CCOC(=O)c1oc2cc(OC[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 150663458 PVMPTMQZVPQGRW-GZIVLBRZSA-N 661.638 2.598 0 50 KFAA COc1ccc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1Cn1cncn1 952857422 UCEHTNBINDMWOF-IGKIAQTJSA-N 579.061 2.562 0 50 KFAA CCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952862349 OGYQIVJCKWFMPY-GOTSBHOMSA-N 539.036 2.656 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3ccc(O)cn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952864892 NKNLNJDTZZDIBB-RRPNLBNLSA-N 544.608 2.900 0 50 KFAA CCOCCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@@H]2C1 1616114784 YWAQEFHZGGXHPS-FTJBHMTQSA-N 523.630 2.912 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCNC(=O)c2csc1n2 1772817968 KQGWLDJJSUUOFG-OPHFCASCSA-N 666.830 2.632 0 50 KFAA C[C@@H]1NC(=O)CN(Cc2nccn2C)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356133990 RCDJPRIRSGOSFH-NRFANRHFSA-N 542.644 2.571 0 50 KFAA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 3958567 XUKYDTJQAOQVGL-UHFFFAOYSA-N 510.506 2.936 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)c1cc(C)nn1C)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775980331 YROKTNKCSFPISC-XMMPIXPASA-N 636.731 2.518 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCNC(=O)COc2cc(ccc2OC)C1 1857707102 ZMPBHKUNUAPACO-PSXMRANNSA-N 675.783 2.539 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 19800471 JWUXXVDOKRZOOI-YJADQXIJSA-N 524.595 2.833 0 50 KFAA CCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(O)nc1=O 254569940 YIBGABDTNWKKJI-YQASLYCHSA-N 658.620 2.525 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)CCSC)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952862231 NAMFEVDIRYWMNM-IGKIAQTJSA-N 585.723 2.874 0 50 KFAA O=C(c1cnc2c(c1)CCC2)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952862594 CBIDNYKIRMFNGY-UHFFFAOYSA-N 514.630 2.768 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccncc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704316948 DGTABAVUKAZQMX-XNMCCTNNSA-N 721.255 2.748 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1CCOC1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817427 LSVDCFCAWIHOJS-NVQXNPDNSA-N 665.773 2.771 0 50 KFAA COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253503647 ZLAQSJKIEJDEJR-MKUBVAFBSA-N 615.588 2.612 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCCn3cncn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952865855 UMWVLAZRLOQJNN-WNJJXGMVSA-N 602.692 2.709 0 50 KFAA O=C(Cn1cccn1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952867595 QVNBNEQPPYMRQT-XTEPFMGCSA-N 509.570 2.716 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cnc(-c3cccnc3)nc1C)CCCCNC2=O 1857707406 QZWWTAHGENEQFO-AUMPDRJASA-N 810.909 2.945 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cn3ccc(C)cc3n1)CCCNC(=O)[C@H]1CN(C(=O)Cn3nc(C)cc3C)C[C@H]21 1875242100 NLARANLJNQEJAQ-FTJBHMTQSA-N 613.719 2.748 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1cnn(-c2ccccn2)c1C 2100532814 BBFMOTMUZDHHJJ-BJKOFHAPSA-N 574.682 2.768 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(c3nccc(C(F)(F)F)n3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162720 PVWAWRZUNQSBPR-UNMCSNQZSA-N 573.528 2.587 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 16699899 IWZNBSOKVWMWKF-MGSPXPDISA-N 522.579 2.741 0 50 KFAA CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245225651 AUZCUOOUVRHFOF-UJMXGEILSA-N 559.412 2.759 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983786 SNOXTVBEQHSVJZ-FNZWTVRRSA-N 661.789 2.749 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)COCc4ccccc4)CCNC(=O)[C@H]3C2)nc(C)n1 1875240917 JCFLVJTXGJRCNW-IZLXSDGUSA-N 571.678 2.893 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(S(=O)(=O)c2cccc3c2OCCO3)CC1=O 2356138013 FAQZXKHTUNRNDV-JGCGQSQUSA-N 626.776 2.581 0 50 KFAA O=C(c1cc(=O)[nH]c(O)n1)N1CCC[C@H](COc2cccc(CN3CCN(c4ccccc4F)CC3)c2)C1 14985922 YFCMWXCJHBTWGS-NRFANRHFSA-N 521.593 2.868 0 50 KFAA O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 101723660 NXZKIMQMJVCDMT-AREMUKBSSA-N 589.139 2.753 0 50 KFAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)Cc3cccnc3)C[C@@H]2N1 952857653 TYSICZMIZMAFRL-KYJUHHDHSA-N 586.689 2.876 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3oc(C)nc3C)C[C@@H]1OCc1cccc(c1)O2 952857841 QNQBVBNXSNHCSY-SVBPBHIXSA-N 607.664 2.951 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CCNC(=O)COc2cccc(c2)C1 1857696483 CJBXMRBIQHYSCV-UUWRZZSWSA-N 634.730 2.865 0 50 KFAA COc1ccc(Br)cc1S(=O)(=O)NCCN1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 1875257446 FMQWLOAIDCJFPD-UHFFFAOYSA-N 627.377 2.514 0 50 KFAA CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H]1CCCN(S(C)(=O)=O)C1 20214489 IXHZKIPOJSAOTH-CYBMUJFWSA-N 502.460 2.930 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccccc2Cl)CCN(C)C(=O)[C@@H](C)NC1=O 1704317978 MBXOJCHPWBRWGM-LEEWXGEHSA-N 724.284 2.575 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3oc(C)nc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322927 SFMBRHBLXIBSNV-QHWQCBGESA-N 812.969 2.869 0 50 KFAA COc1ccc2nc(O)c(CN3CCCNC(=O)[C@@H](C)NC(=O)c4ccc(C)cc4OCCCn4cc(nn4)C3)cc2c1 1704324804 UZKVTRGHMSAHTH-OAQYLSRUSA-N 587.681 2.958 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(-c3ccccc3)no2)CCNC(=O)COc2cccc(c2)C1 1775979734 YHPSURZOMVCKIX-YTTGMZPUSA-N 606.676 2.627 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCOc2ccccc2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979758 MINCUNJUSYTSDK-JHOBJCJYSA-N 620.751 2.991 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccs2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704316513 SNMRGJZNHOXEEN-WDDWZANVSA-N 748.932 2.808 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3C(C)(C)C3(C)C)C[C@@H]1NC2=O 1704322614 KDNCRVSKQWMXST-REWPJTCUSA-N 521.614 2.774 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1nnc3n1CCCCC3)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1857702881 SFKVLAYLYOYKJJ-SANMLTNESA-N 593.685 2.658 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(C(=O)CCc4ccc(O)nn4)C3)[C@@H]2CCCC(=O)N1 1857740397 HTNJCAVADLEFFG-LBDJIDRHSA-N 513.683 2.921 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(Cc2nccn2CCOC)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704312141 LIATZFLMTBIFOS-NWEPNFOYSA-N 703.885 2.827 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)[C@@H](C)O)CCCC(=O)N[C@H]2Cc1ccccc1 1775982485 QEMWNSAWTIGVDC-ZHRMCQFGSA-N 610.737 2.700 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCc1ccnn1C)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1800430497 OMFWXQJZYMBGGD-AREMUKBSSA-N 614.703 2.980 0 50 KFAA Cc1cc(-c2ccc(S(=O)(=O)N3[C@H]4CC[C@@H]3CNC(=O)c3ccc(C)c(c3)OCCNC(=O)C4)s2)on1 1857706422 QTIZVTAFWGDNPF-RBUKOAKNSA-N 544.655 2.870 0 50 KFAA CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@]45CCN4CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@@]3(O)C(N)=O)C2)C1 247964884 HHJUWIANJFBDHT-NYANLSPTSA-N 753.941 2.732 0 50 KFAA COc1ccc(C[C@]2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 263585002 CZHXWJUFFYDJKV-WPHQEQLXSA-N 556.619 2.797 0 50 KFAA biogenic CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@H](O)c3ccccc3)cc2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 263586545 VOYKGCIIGXHHRT-LOLUNWTRSA-N 584.673 2.659 0 50 KFAA biogenic COc1ccc([C@H](CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c2c(O)oc(C)cc2=O)c(OC)c1OC 888089899 OLSRKKVEPIVIEE-SFHVURJKSA-N 540.525 2.655 0 50 KFAA COCCN(C)C(=O)c1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3ccccc3-c3nccn3C)C[C@@H]1Oc1ccc(cc1)CNC(=O)CO2 1772705235 RJHPBURKYZNEJP-CONSDPRKSA-N 666.735 2.516 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CN(C)Cc2ccccc2)CCNC(=O)COc2cc(ccc2OC)C1 1857702202 DLLJOZNCZKMUSS-DHUJRADRSA-N 636.790 2.953 0 50 KFAA Cc1cc(S(=O)(=O)NC(=O)c2cccc3ccncc23)oc1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 1875342355 NBDANGHAQQSDDT-GOSISDBHSA-N 527.599 2.913 0 50 KFAA C[C@H](O)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1 2332925148 VBVVLENGSKTSOM-HZMVEIRTSA-N 534.558 2.864 0 50 KFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 2857601 IUSFLNRIRAHXMN-UHFFFAOYSA-N 518.455 2.884 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(OCC(N)=O)cc2)C[C@@H]1C 888089929 QEWJXUXZBOFJAZ-OYAWWELSSA-N 637.045 2.703 0 50 KFAA CCc1c(C)nn(CC(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(C(=O)c2cc(C)on2)CCCN3C(=O)c2ccccc2)c1C 1704337961 IGSMVCUXIFWWPT-WNJJXGMVSA-N 617.751 2.913 0 50 KFAA CN(C)CC(=O)N1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)c2sccc2Cl)N(C(=O)c2ccccc2)CCC1 1704342018 BUPNGKQAHHPLTH-GMAHTHKFSA-N 574.147 2.817 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)CCCn1cncn1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772713995 WDCROGFMOPYIJE-DEOSSOPVSA-N 576.654 2.737 0 50 KFAA CCc1nccn1CCC(=O)N1CCNC(=O)c2ccc(OC)c(c2)OCCn2nc(-c3ccccc3)nc2[C@@H](C)NC(=O)C1 1857725648 HFHNGELLZODNDU-JOCHJYFZSA-N 614.707 2.631 0 50 KFAA COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1coc2ccc(OC)cc2c1=O 253398691 CGKBWSRNYLRRNW-LVCYWYKZSA-N 574.586 2.936 0 50 KFAA biogenic O=C([C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCC(Oc2ccc(Cl)cn2)CC1 253430940 YORQLYQCQCEFBJ-SFHVURJKSA-N 500.404 2.848 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCn2cccn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775983983 FQDSXYSUPPTRQL-LVXARBLLSA-N 618.720 2.517 0 50 KFAA CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](NC(=O)c2cc(Br)cs2)[C@H](CC2CC2)C1 2325877074 IJCVRCKKAVXAMT-UNEWFSDZSA-N 520.515 2.831 0 50 KFAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(c3nc(N(C)C)nc(C)c3C)C[C@@H]1NC2=O 2356162301 GSZLSLPNSQLSQC-DQEYMECFSA-N 544.656 2.933 0 50 KFAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC[C@H](C)NC(=N)N)C(=O)O 253487042 DARRDGIZJNTTDK-OAQFHQNDSA-N 940.109 2.537 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)c1nnc3n1CCCCC3)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704322076 GHNMLXBPULCLST-XPWALMASSA-N 536.677 2.970 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3c(Cl)cnn3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704335962 JLNSWQRGVCBEIC-NYHWNOQPSA-N 832.403 2.651 0 50 KFAA O=C(COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1875352099 TXZOOVOBWFTQJG-UHFFFAOYSA-N 552.584 2.863 0 50 KFAA CCN1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 16346428 OTGSYLJHKVJMMC-UHFFFAOYSA-N 512.028 2.725 0 50 KFAA CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 138084780 OWDNFDHXFLQGQN-LOSJGSFVSA-N 582.698 2.629 0 50 KFAA CSCC(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)C1 1704322202 KQSSPHQCGABIOY-DEOSSOPVSA-N 585.130 2.953 0 50 KFAA COc1ccc([C@@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)n3ccccc3nc2=O)cc1 1776111670 KRWLKNUMMGDWKG-OAQYLSRUSA-N 500.559 2.506 0 50 KFAA CN[C@@H](C)C(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)C1 2084385006 RVSPIZUPGWBAGL-NRYAXDJKSA-N 611.794 2.697 0 50 KFAA CCc1c(C)cc(C(=O)N2CCCCN(C(=O)[C@H]3CCC(=O)N3)CCCOc3cccc(c3)-c3nccn3CC2)c(=O)n1C 2356138115 FEJGCUBUFVKRAM-HHHXNRCGSA-N 602.736 2.932 0 50 KFAA CC(C)[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](CC(=O)O)C(=O)COc1c(F)cccc1F 25668337 OOBJCYKITXPCNS-NFBKMPQASA-N 513.497 2.875 0 50 KFAA O=C1CN2C(=O)[C@]3(CCN(C(=O)CCCN4CCCCC4=O)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952862831 LZYXKOOKYLLNBV-IGYGKHONSA-N 544.652 2.936 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CSc3nncn3C)C[C@H]1NC(=O)CC2 1616108043 FZIRAUHLVXSNFF-YADHBBJMSA-N 537.642 2.957 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@H]1CCC(=O)N(C)C1)CCCNC2=O 1704316954 DNXVSWBQKYNVHV-FQEVSTJZSA-N 554.619 2.854 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCc3c(C)noc3C)C[C@@H]1NC(=O)CC2 1772701208 MMWJRTUZGLVGNF-LSYYVWMOSA-N 576.650 2.649 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ncoc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772707742 YDNZMYHNVJYQOM-NRBPIKBBSA-N 730.863 2.727 0 50 KFAA COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN([C@H]5CCc6ccccc6C5)CC4)CC3)c2C1=O 14880670 IKEIHOIPQMYZPH-VWLOTQADSA-N 530.669 2.847 0 50 KFAA NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1 59151964 VGHSATQVJCTKEF-UHFFFAOYSA-N 596.648 2.695 0 50 KFAA in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3nnn[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 217719741 QUSSTJDKFMTKAS-FPOVZHCZSA-N 565.631 2.841 0 50 KFAA biogenic CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2n[nH]c3c2CCC3)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322343 MMDCIADXRFMIJH-LEUQSAOGSA-N 699.853 2.836 0 50 KFAA Cc1ccc(C(=O)N2CCc3c(C(=O)O)ccc(F)c3C2)c(-n2cc(C3CCN(S(C)(=O)=O)CC3)nn2)c1 1875324671 IEXVTKIAWRDBQI-UHFFFAOYSA-N 541.605 2.751 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533168 CTOZYOUGCPVCLZ-SSEXGKCCSA-N 652.774 2.564 0 50 KFAA CC(C)NC(=O)Nc1cccc(-c2noc(CCc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4n3C)n2)c1 2325879454 WBBFTUPQCPTZTE-UHFFFAOYSA-N 553.645 2.959 0 50 KFAA COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O 2979549 FYBZCCJGOAAVJD-UHFFFAOYSA-N 516.041 2.928 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CN3CCCC3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616116755 XRBWVPSMIJKHAU-WDYNHAJCSA-N 622.763 2.997 0 50 KFAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)CCC(F)(F)F)CCNC3=O 1857703891 VIZCEIPFPXXAPK-KCWPFWIISA-N 699.775 2.888 0 50 KFAA COc1ccccc1-n1cc(C(=O)N2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)cn1 1857740166 BINAEXSKRBJVQF-LJAQVGFWSA-N 677.766 2.679 0 50 KFAA CNC(=O)[C@H](NC(=O)COc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1)C1CCCCC1 2325899847 APCSUSFICFXUTQ-HHHXNRCGSA-N 524.637 2.974 0 50 KFAA CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(F)c(F)c4)CC3)cc21 1142266 IRZGZIBVTLESAX-UHFFFAOYSA-N 518.517 2.974 0 50 KFAA CC1(C)C[C@@H](N2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCCCN5CCCC5=O)C4)c3C2=O)CCO1 12247548 GKYRIJDYVHKSCI-UXHICEINSA-N 510.635 2.585 0 50 KFAA Cc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1Cl 952863139 FZMYCGKHCGKONC-VWLOTQADSA-N 549.075 2.952 0 50 KFAA CCc1nccn1CCC(=O)N1C[C@@H]2C[C@H]1C(=O)NCCCCN(C(=O)Cc1cccnc1)CCCN2C(=O)c1ccccc1 1704318667 QPMPVWKUSCOPOS-VMPREFPWSA-N 613.763 2.714 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2nn(C)cc2Cl)CCNC(=O)COc2cc(ccc2OC)C1 1857702335 JJRVFUDRVNFWGM-SSEXGKCCSA-N 618.131 2.522 0 50 KFAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3[C@H]4CC[C@@H]3CNC(=O)c3ccc(C)c(c3)OCCNC(=O)C4)cc2n1 1857713139 FTAAHVOVGQGROD-ZWKOTPCHSA-N 544.534 2.667 0 50 KFAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2csc(-c3ccccc3)n2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952862608 BWVHEDGXUUTSTH-OYRYQELPSA-N 674.824 2.525 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)c3cnc(O)[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 1616092455 VAEGHXKNHQFHGE-RPBOFIJWSA-N 579.654 2.684 0 50 KFAA COc1ccc(-c2n[nH]cc2CN2CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C2)cc1 1704317255 GQORMFYUXHRMDG-NDQUSQJISA-N 677.872 2.512 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccc(C(=O)N4CCOCC4)cc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772706259 PJODQCLLDVKMBE-ZHCLMVNRSA-N 839.003 2.903 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cnn[nH]2)CCCNC(=O)c2csc1n2 1772817846 UEQWJVMSSQAYKN-MBSDFSHPSA-N 621.749 2.521 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(C[C@@]3(F)CC[C@@H](C(=O)O)C3)nn2)c1 1875325408 XJWKNJGYXYCWLJ-FQRUVTKNSA-N 561.611 2.803 0 50 KFAA Cc1c(C(=O)O)sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c12 2700719 FTJVAKULDSCYLH-UHFFFAOYSA-N 510.619 2.799 0 50 KFAA Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@@](c2c(C)[nH]n(-c4ccccc4)c2=O)(C(F)(F)F)C(=O)N3)cc1C 2863465 OKIYOMJFFZQWRN-XMMPIXPASA-N 511.460 2.731 0 50 KFAA CCOC(=O)CCC(=O)O[C@@H]1[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 247893564 NSYZCCDSJNWWJL-SFRINYRVSA-N 862.064 2.680 0 50 KFAA CC(=O)NCCC(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1772816828 CUIUJNCBXDAWIK-LVXARBLLSA-N 639.804 2.615 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl 677724 ZSHHLARRPAIYET-ZRELAVNMSA-N 512.971 2.996 0 50 KFAA Cc1nc(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)c(C)s1 952865783 VOWBKVINLLDTRJ-UHFFFAOYSA-N 522.675 2.887 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NS(=O)(=O)c2ccc(C(N)=O)cc2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857697757 LMWCUEYTXQGOLW-KCPHVQBASA-N 798.967 2.747 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857723920 CINLQRGNGOTIRT-XMMPIXPASA-N 566.680 2.536 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1ccn2ncnc2c1)CCN(C(=O)c1ccnn1C)CCC(=O)NC[C@H]1CCCN3C1 1875251663 ZMKKRTYGXZFJMC-HSZRJFAPSA-N 710.796 2.558 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc3ncsc3c1)CC(=O)N[C@H]1CN(C(=O)c3cc(C)n(C)n3)C[C@H]21 2100533860 IVBGBPJAIANQFO-QPPBQGQZSA-N 588.690 2.996 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1ccc2c(c1)CCO2 2100534216 YIPNSLJSPUOFNW-BJKOFHAPSA-N 535.641 2.813 0 50 KFAA O=C([C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13550992 XUMDLSPMECLYGW-VXNXHJTFSA-N 503.599 2.846 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 100504724 VUPPLOWXEISRMM-ZDGAQAAHSA-N 550.589 2.658 0 50 KFAA CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 245327374 PBUNVLRHZGSROC-CMQZYTNISA-N 577.726 2.521 0 50 KFAA in-vitro CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cn3ccsc3n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702785 XOSFYVSCQYZQPN-ZQLNOWDWSA-N 707.858 2.746 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2cnc3ccccc3c2=O)CCNC(=O)COc2ccc(cc2OC)C1 1857700834 MQMIJEOXNATKED-BHVANESWSA-N 677.799 2.867 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C4CCSCC4)C3)CN2C1=O 2356160069 BOOBDEAZBKPLDO-PTMODEPLSA-N 526.747 2.837 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 19912042 UZNIHDSUZYKAIC-XPCGLTFESA-N 520.563 2.649 0 50 KFAA O=C(O)COCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 169724558 HANLHKUCDRJGKX-UHFFFAOYSA-N 561.628 2.709 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cccn2C)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704317976 LUQIYUUJSSACFO-ZVUPFLOZSA-N 672.827 2.963 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)C2CCCCCC2)CCN(C)C(=O)[C@@H](C)NC1=O 1704318689 QZDJVJIGVOQXIM-NAJBNYMCSA-N 709.914 2.578 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(C)c4nc(N)sc4c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322327 LZKQJXIHKREYCL-NVSKSXHLSA-N 693.871 2.555 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)Cn1cnnc1)CCCC(=O)N[C@H]2Cc1ccccc1 1772818344 QQCFDKBENQONJR-NVQXNPDNSA-N 647.762 2.611 0 50 KFAA COc1ccc([C@H](CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)n3ccccc3nc2=O)cc1 1848442649 DIAPXEXZDUBXJG-NRFANRHFSA-N 572.618 2.972 0 50 KFAA COc1cc2nc(N3CC[C@H]4Oc5ccc(cc5)CNC(=O)COc5cc(ccc5OC)C(=O)N[C@H]4C3)[nH]c(=N)c2cc1OC 2356161390 UBBKTXVEIGLOTP-BJKOFHAPSA-N 614.659 2.533 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCN(C)C)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253396995 BIOJLQSSRRDDJK-CUNXSJBXSA-N 554.688 2.977 0 50 KFAA biogenic CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cccc3c2OCCO3)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702868 LYEGKCSBDWKYPX-LOTJKCTMSA-N 719.840 2.808 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc[nH]1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772714162 COTDTAOBJOBABV-NRFANRHFSA-N 518.570 2.917 0 50 KFAA CCc1ocnc1C(=O)N1CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC)NC(=O)C1 1775979155 YGQHTXFIUJPZTF-BHBYDHKZSA-N 723.835 2.781 0 50 KFAA COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N2CCCCC2)cc1OC 2050025134 VLSCXNSHXRBQJF-HSZRJFAPSA-N 517.648 2.682 0 50 KFAA COCC(=O)N1C[C@@H]2c3cccc(c3)OCCCCN(Cc3c(OC)ccc(F)c3F)CC(=O)N[C@H]2C1 2100534165 WOCRPNWIODQEDZ-OFNKIYASSA-N 517.573 2.705 0 50 KFAA COc1cc(C(=O)N2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc(OC)c1OC 54281454 XGEWLKYHDCYSES-UHFFFAOYSA-N 503.555 2.920 0 50 KFAA CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]21C 256080192 PSOUXXNNRFNUAY-CZOOVLFWSA-N 654.882 2.507 0 50 KFAA CCC[C@H]1CC[C@H](C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)C2)CC1 1704316791 CROFPKZUCOQNGG-NYNOMYHYSA-N 698.865 2.968 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(Cc3ccc(OCCCCN4CCOCC4)cc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322380 NVBXADIUCPFYPB-UVMMSNCQSA-N 651.849 2.863 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3sccc3Cl)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704336350 MAXCQVXLWCAHMY-LJYZBVLISA-N 648.226 2.770 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@H]1CCc3ncnn3C1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857725050 UCXJQBBCCQKGDY-VWLOTQADSA-N 569.666 2.955 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cc(C)nc3onc(C)c13)CCCNC2=O 2356136879 ACRUCJLTRWHLHW-MHZLTWQESA-N 618.695 2.916 0 50 KFAA Cc1cc(-c2ccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(CN3CCOCC3)c2)c2ccccc2n1 15001886 SBTLOADTPVSUEV-JOCHJYFZSA-N 509.628 2.725 0 50 KFAA COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 28112128 HYFHYPWGAURHIV-FDYRDFEWSA-N 545.629 2.581 0 50 KFAA biogenic,in-vitro CC(C)(C)OC(=O)N1[C@H]2ON(C(=O)OCc3ccccc3)[C@@H]([C@@H]3OC(C)(C)O[C@@H]32)[C@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N21 252428322 YHPVQRNEIJZYRI-DZESEXAHSA-N 608.648 2.889 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713266 FRTNDYHWDLLUIS-SVBPBHIXSA-N 542.592 2.581 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(-n3cccn3)ccc2Cl)CCNC(=O)COc2cccc(c2)C1 1775981633 BMKJKGMVKNPHJA-YTTGMZPUSA-N 640.137 2.812 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)c2ccc(=O)n(C)c2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857688964 XYTBGKVNPRKSKP-VWLOTQADSA-N 635.693 2.892 0 50 KFAA CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCO 253408430 KSASMRXTRGMKEE-LVARUYSCSA-N 541.645 2.798 0 50 KFAA biogenic CNC(=O)c1cc(S(=O)(=O)N2CCNC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)C2)ccc1OC 1772701922 SMBRIWFADOVNHM-DQEYMECFSA-N 737.861 2.851 0 50 KFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCCNC(=O)c2nn(CCC(C)C)c3c2C[C@@H](CC3)NC(=O)CCC1 2100533349 LEUDFLJLICVZDV-JOCHJYFZSA-N 611.769 2.702 0 50 KFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 2856694 IGUSSURDMLKLHY-UHFFFAOYSA-N 504.030 2.784 0 50 KFAA CCOC(=O)c1ccc(NC(=O)CSc2nnc(N)n2CC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 59617125 AZLILJLKPKVSRC-UHFFFAOYSA-N 526.575 2.583 0 50 KFAA CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCc2ccco2)c2cc(OC)c3c(c2OC)OCO3)c1O 253496547 MXUVRLJGQNLIIZ-CQSZACIVSA-N 514.487 2.847 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2csc(CN(C)C)n2)CCNC(=O)COc2cc(ccc2OC)C1 1857698981 CVELFJPCHRYBNP-JGCGQSQUSA-N 643.807 2.653 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(S(=O)(=O)N2CCC(COC)CC2)CCNC(=O)COc2ccc(cc2OC)C1 1857702458 BWGAAIJGDUYUHN-MGBGTMOVSA-N 682.881 2.534 0 50 KFAA CCOCC(=O)N1CCC(C(=O)N2CCNC(=O)CCc3cc(OC)c(OC)c(c3)-c3ccc4c(c3)[C@H](CCO4)NC(=O)CC2)CC1 1857723889 AXZQOHYNZYRQQU-NDEPHWFRSA-N 650.773 2.867 0 50 KFAA O=C1c2ccccc2C(=O)N1C[C@@H]1OCCOCCOCCO[C@H](CN2C(=O)c3ccccc3C2=O)[C@@H](CN2C(=O)c3ccccc3C2=O)OCCOCCOCCO[C@H]1CN1C(=O)c2ccccc2C1=O 150654513 NPLASEGDXFYLME-YKBLAKRSSA-N 989.000 2.792 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c3cc(=O)cc(C)[nH]3)CC[C@@H]1OCc1cccc(c1)O2 1616107214 BKSMMWVRUJCLEC-IZLXSDGUSA-N 574.634 2.876 0 50 KFAA CSCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704316456 QCQLMMDOFVUWHA-KEKPKEOLSA-N 623.820 2.665 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(C(=O)c3cnc(C(N)=O)cn3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772817253 JZGYHMPIKCLBHY-UHFFFAOYSA-N 696.717 2.877 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(O)cn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817948 KGWAMQYDQSWWBI-OFVILXPXSA-N 617.688 2.645 0 50 KFAA CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1 2325869656 XGIWCLBIHIPTIB-ILBGXUMGSA-N 508.644 2.944 0 50 KFAA O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)nc2sc(-c3ccccc3Cl)nn12 34871821 VWQUHJVKFNDRCX-UHFFFAOYSA-N 502.021 2.978 0 50 KFAA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O)C(C)C 169618155 JGZHHIOHNGYFHO-MHADKKCISA-N 548.681 2.560 0 50 KFAA CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 245247594 XBCBVEZYAJFLPS-GIWBLDEGSA-N 548.681 2.560 0 50 KFAA aggregator COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3nsnc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713604 NAPORHSZVMVQBH-RNNJVSDQSA-N 747.919 2.590 0 50 KFAA COc1cc2ccc1OCC(=O)NCCNCCCC(=O)NC[C@@](CCC(C)C)(C(=O)NCc1ccccc1)C2 1775977025 FMWXSTLJOPLCCP-HKBQPEDESA-N 552.716 2.971 0 50 KFAA COc1ccc(C(=O)N2C[C@@H]3c4ccc(OC)c(c4)OCCCN(C(=O)C4CCN(C(C)=O)CC4)CC(=O)N[C@H]3C2)cc1C 2100533968 NNHSZFUBXFQJOG-SXOMAYOGSA-N 606.720 2.606 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 657060 BSJMVSVTJFIJRT-VVOOWDFBSA-N 508.552 2.544 0 50 KFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1 226864879 RMRQGSRUGRBWCV-CNKGAEGWSA-N 659.784 2.543 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccc(C(N)=O)cc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772818707 WKDMDTSVUYIFCO-HPVGCPEYSA-N 768.912 2.529 0 50 KFAA N=c1nc2ncc(CSc3nccn3-c3ccc(C(=O)NCc4ccccc4F)cc3)nc2c(N)[nH]1 1875353080 JDVZDRIIXMHVFI-UHFFFAOYSA-N 501.551 2.962 0 50 KFAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 2325878585 VHFPGHJAHAKJDX-ASPISWMLSA-N 556.700 2.879 0 50 KFAA COC(C)(C)CN1C(=O)c2cccc(N3CCC[C@H](C(=O)N4CCN(C(=O)c5ccco5)CC4)C3)c2C1=O 11790430 UNAXVEMNPWFMKK-IBGZPJMESA-N 522.602 2.502 0 50 KFAA COc1ccc([C@@H](CC(=O)NC2CCN(C(=O)C3CC3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263588096 PABLQRVSBFDXFO-LJQANCHMSA-N 514.575 2.719 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3[nH]cnc3C)C[C@@H]1OCc1cccc(c1)O2 952857722 RZSQILFVPMNKNZ-XCZPVHLTSA-N 578.670 2.738 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857525784 WSMQBJMPWPNLTJ-IVOYHWKFSA-N 742.639 2.698 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@@H]1CCC(=O)N(C)C1)CCCNC2=O 1704316955 DNXVSWBQKYNVHV-HXUWFJFHSA-N 554.619 2.854 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)Cc3c(C)noc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322489 INPCBZKZTWZJPA-YFZVMGGLSA-N 826.996 2.797 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cc2cc(C)no2)CCNC(=O)COc2ccc(cc2OC)C1 1800430528 QAZDPQBNJLNTBD-JGCGQSQUSA-N 614.740 2.996 0 50 KFAA COc1c2c(c(CNC(=O)C[C@H](c3ccc4c(c3)OCO4)c3c(O)n4ccccc4nc3=O)c3c1OCO3)CCN(C)C2 1857526709 URMDOIIXROFZJM-LJQANCHMSA-N 586.601 2.692 0 50 KFAA COc1ccc2cc1OCCN(C(=O)C[C@@H]1CCC(=O)N1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857724504 YURPFTOOSXGTTH-DEOSSOPVSA-N 545.640 2.770 0 50 KFAA CCCCNC(=O)[C@@H](c1cnn(CC2CCOCC2)c1)N(CC1(O)COC1)C(=O)c1ccc(OCCC)cc1 2325823429 SLEOXFVMTVGAPW-AREMUKBSSA-N 542.677 2.960 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cn([C@H]5CC[C@@H](N)CC5)nn4)C3)CN1C(=O)CC2 2356134528 QWFNFKYLUJNNEL-OHWAONTASA-N 635.810 2.892 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 1867873 DLSPLPMEQWNOHK-MYXKAAJQSA-N 569.595 2.957 0 50 KFAA CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(N)(=O)=O)c2)cc1 4005585 KBRZWOYMKKUDMV-UHFFFAOYSA-N 512.573 2.780 0 50 KFAA COc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 8596689 ACFIKBXUDPDXNR-UHFFFAOYSA-N 501.584 2.718 0 50 KFAA COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225419181 IKIZORIANMGOGN-KPFFTGBYSA-N 522.554 2.536 0 50 KFAA biogenic CC(C)CC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CC2)NC(=O)[C@@H](C)NC1=O 1772714447 RAEDNZBPTNVAFZ-BJXGRRSKSA-N 647.817 2.564 0 50 KFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N1C2 2100532932 MSSUMRNXORPTRV-ZOGNWHTBSA-N 609.731 2.552 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc3ccccc3n(C)c1=O)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533796 FVPQGQWXDRDXQS-SSEXGKCCSA-N 628.730 2.983 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 9045469 HTHXYSDHPJMABN-PZDOZLBDSA-N 512.971 2.996 0 50 KFAA CCOc1cc(CN2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC2)ccc1OCCn1ccnc1 1704318570 PHLCDSKNSXLQMQ-APGOCNHWSA-N 703.885 2.836 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cncc(C)c2)CCNC(=O)COc2cc(ccc2OC)C1 1775983535 NAJUIYXYVHRJMN-JGCGQSQUSA-N 594.709 2.838 0 50 KFAA COc1ccc(-c2ocnc2C(=O)N2[C@H]3CC[C@@H]2CNC(=O)c2cc(F)ccc2OCCNC(=O)C3)cc1 1857714081 QXQVIZPQYHCHIH-RBUKOAKNSA-N 522.533 2.791 0 50 KFAA NC(=O)C1CCN(C(=O)c2ccc3c(=O)n(Cc4cccc(Br)c4)c(S)nc3c2)CC1 3632232 JWSPIFYZONVELG-UHFFFAOYSA-N 501.406 2.834 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C/C=C/c3ccccc3OC)C2)nn1 12245898 NBGQIHMJWVNXHN-PSDFYVFMSA-N 507.566 2.900 0 50 KFAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 27989385 NQFWNRFKRYMGAI-OXHJWIHTSA-N 652.745 2.569 0 50 KFAA COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 263586622 WFKHUKHQHCPQFL-RQSLGCGOSA-N 586.645 2.805 0 50 KFAA biogenic CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2nnc3n2CCCCC3)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316252 KZZPLZJTIQGUOG-AOHYXGPVSA-N 728.895 2.942 0 50 KFAA COc1cc2ccc1O[C@@H]1CN[C@@H](C1)C(=O)NCCCCN(C(=O)c1cc(C)oc1C)CCCNC(=O)CC2 1704319957 ZPUBQPJEUDGYMY-UPVQGACJSA-N 540.661 2.506 0 50 KFAA CCn1c(C)cc(C)c(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c1=O 1857699239 IZAUEFWNSJXQEH-XTGFQOFXSA-N 710.836 2.611 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccc(-n3cnnn3)cc1)CCNC2=O 1875242218 NGKHZLSKQZOFHO-SSEXGKCCSA-N 664.727 2.708 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cscn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940197880 ZEFLXPFXQZWVIC-OAQYLSRUSA-N 524.647 2.579 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 8767702 AZDGFMUXQLYLOG-JGTYQCAFSA-N 522.579 2.741 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cnc3ccccc3n2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857699096 HPHHQICBASXIGQ-MWYIXNDJSA-N 689.777 2.756 0 50 KFAA COc1ccc([C@@H](CC(=O)NCc2c3c(c(OC)c4c2OCO4)CN(C)CC3)c2c(O)nc3ccccn3c2=O)cc1 2049251982 OUBVZTZVAYUKSD-OAQYLSRUSA-N 572.618 2.972 0 50 KFAA CCCC1=C(C(=O)OCC)[C@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 1123582 JWUHGQFXTAAFRU-KRWDZBQOSA-N 531.347 2.525 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OCC 2889290 VGIYQIIFSMGWLK-GLSAMTQTSA-N 552.605 2.669 0 50 KFAA Cc1nc(CN2C[C@@H]3NC(=O)CCNC(=O)c4cc(cc(C(=O)O)c4)Oc4cccc(c4)CO[C@H]3C2)cs1 952864285 NCDRTQWMNFPZST-ZEQRLZLVSA-N 536.610 2.961 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cccc(O)n2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704315576 KUFGXXZUOCALIO-UBEGLERISA-N 686.810 2.725 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3ccc(C)cn3)C[C@@H]1NC(=O)CC2 1772817085 GUGOKZSCPXONLZ-LSYYVWMOSA-N 530.625 2.788 0 50 KFAA CCOCC(=O)N1CCC(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)CC1 1772817238 JLBRVZCACOJJCF-OUTSHDOLSA-N 693.827 2.505 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CN2CCOC2=O)CCCNC(=O)c2csc1n2 1772817714 QIRNPRKMACTCFA-CPJSRVTESA-N 653.787 2.541 0 50 KFAA Cc1c([C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cnn1-c1ccc(F)cc1 2325877419 QPVBDOWZFDOTLB-RNODOKPDSA-N 525.400 2.599 0 50 KFAA O=C1NCCCN(S(=O)(=O)Cc2ccc(F)cc2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356138033 FTMZGXYKVLHAFZ-SNUWEPMUSA-N 540.661 2.594 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1857698866 MFEIKTONAWRVFR-UUWRZZSWSA-N 686.828 2.531 0 50 KFAA COc1ccc(C(=O)N2C[C@@H]3c4ccc(OC)c(c4)OCCCN(C(=O)Cc4cccc(F)c4F)CC(=O)N[C@H]3C2)cn1 2100533253 HOQHQONNPYVMBZ-VWNXMTODSA-N 594.615 2.955 0 50 KFAA COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc(I)cc2)cc1OC 1076472 YUUITGWLVHWPTG-UHFFFAOYSA-N 525.372 2.735 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)nc(C)n1 952861838 IBODMGLBCGMQHY-AHWVRZQESA-N 529.597 2.806 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2ccc(-c3ccccc3)s2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704342222 KTNOZNTUELYYBE-RAYOMAKXSA-N 703.906 2.971 0 50 KFAA Cc1ncnc(C)c1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772703027 AZBOATPYGSGGNA-SVBPBHIXSA-N 571.634 2.593 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CCNC(=O)COc2ccc(cc2OC)C1 1775978395 SJEUGMYVUWPZIG-PGUFJCEWSA-N 677.803 2.806 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)Cn1nc(C)c3ccccc3c1=O)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857706327 FIPLYXPZLRUNMK-PNBVQZGLSA-N 694.789 2.621 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc(C(C)=O)s1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321931 IQAGAXHIUDEXQZ-RUZDIDTESA-N 567.668 2.615 0 50 KFAA Cc1cc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3coc(n3)[C@@H](CC(C)C)NC(=O)c3cc(on3)C2)on1 1857741433 SGOMTSUUSXSXTC-UKILVPOCSA-N 617.663 2.518 0 50 KFAA Cc1cc(C)n(CC(=O)N2CCCNC(=O)c3cccc(c3)OCCn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)C2)n1 2356135025 MQVMRMAPJXRXET-QHCPKHFHSA-N 584.681 2.677 0 50 KFAA Cc1cc(CC(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)on1 1704318857 SMODZPUIVNLOMQ-VDXDWOAMSA-N 590.725 2.781 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc[nH]1)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857705471 IZTUBAXBTWNECT-KEEVHDRGSA-N 587.677 2.545 0 50 KFAA CCOC(=O)c1sc2[nH]c(CSCCC(=O)N[C@@H]3CCN(c4ccccn4)C3)nc(=O)c2c1C 2325875343 OKQFYKNKLJQXMZ-OAHLLOKOSA-N 501.634 2.883 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2nc3ccccc3[nH]2)C1 14533639 VILVSCJJVBRZFP-QHCPKHFHSA-N 519.646 2.663 0 50 KFAA CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(I)c(OCC(=O)OC)c(OCC)c1 59627296 CLDFFSCJTVJHOF-MRXNPFEDSA-N 534.372 2.598 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(CC(N)=O)CC1)C(=O)NC2 1772713646 PXNRRULQLUATIH-UHFFFAOYSA-N 604.660 2.633 0 50 KFAA CNC(=O)[C@@H](c1cnn2ccccc12)N(CCS(=O)(=O)NC1CC1)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 2325839005 GFLDMVBPLNAJBN-RUZDIDTESA-N 578.699 2.549 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cnc(N)s3)CC[C@H]1OCc1cccc(c1)O2 952864781 LRSRSPXGWJXXPU-XZOQPEGZSA-N 565.652 2.918 0 50 KFAA COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCc3ccnn3C)CC[C@@H]1OCc1cccc(c1)O2 952867872 ULWTVIFCXSLTSP-NSOVKSMOSA-N 575.666 2.980 0 50 KFAA COc1ccc2c(c1)C=C(CN1CCOc3cc(ccc3OC)-c3nccn3CCNC(=O)[C@@H](C(C)C)NC(=O)C1)CO2 1704309633 ZXNBXJXNTDGEIS-SSEXGKCCSA-N 589.693 2.995 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)c3cc4c(=O)n(CC(=O)[C@@H]5CCOC(C)(C)C5)c(=O)n(C)c4nc3C[C@H]1C)C2=O 1848443424 QLVUEZFBSTZCTL-LELMWSPKSA-N 626.062 2.929 0 50 KFAA CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C 1082202001 VWAMTBXLZPEDQO-SARCLEJTSA-N 777.050 2.681 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccns2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1800430269 AVHNGVSKEMYVRA-ZQLNOWDWSA-N 654.838 2.853 0 50 KFAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 1940196981 JCSXYIGRLJCJQF-HHHXNRCGSA-N 649.774 2.865 0 50 KFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 1940197521 XAQDXAZECGPXGZ-HHHXNRCGSA-N 577.730 2.791 0 50 KFAA O=S(=O)(NC[C@@H](O)CN1CCCC1)c1cc(C(F)(F)F)cnc1N1CCCN(Cc2cc(F)ccc2F)CC1 2325823123 FSHOQUQOTLKBMR-OAQYLSRUSA-N 577.620 2.826 0 50 KFAA C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 19892072 CHTJGNNQGAAYAL-PNTFMKQHSA-N 506.555 2.839 0 50 KFAA O=C(NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)Nc1ccc(Br)cc1 59640971 IJGFKUKSOIHZFQ-UHFFFAOYSA-N 545.459 2.664 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@@H](CCSC)C(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253410430 NIRNWRNFQHHCLC-FPOVZHCZSA-N 573.668 2.597 0 50 KFAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(Cc3ccccc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323051 SSJLQLXWQYHZSJ-LQJQRVQGSA-N 607.796 2.903 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCCc2ccc(F)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772703146 VXSDGERFKCQSAP-BOCWGRARSA-N 690.821 2.668 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801054 JWTWVAVUQMMSIC-VFHRMQJUSA-N 592.981 2.933 0 50 KFAA biogenic CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(SC)cc1 2680464 BOVMUGCBJFVQCO-SADKCHQCSA-N 505.621 2.867 0 50 KFAA COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)CCCn3cncn3)CC[C@@H]1OCc1cccc(c1)O2 952864897 RZFGHWDNQWMFRK-SVBPBHIXSA-N 576.654 2.685 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)COc1ccc(F)cc1F)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713939 VHNXQPPQGVFHON-NEEKEDPPSA-N 653.731 2.613 0 50 KFAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC[C@@H](C)NC(=N)N)C(=O)O 253487041 DARRDGIZJNTTDK-NWBYXJRXSA-N 940.109 2.537 0 50 KFAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2c3cccc(c3)OCCCN(C(=O)c3ccc4nn[nH]c4c3)CCNC(=O)[C@H]2C1 1940194769 NUSGFJIIFPAQIO-FTJBHMTQSA-N 585.665 2.779 0 50 KFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)[nH]3)CCC5)cc2)nc(OC)n1 1805480 PEGHWNLEWZRBRK-UHFFFAOYSA-N 574.666 2.812 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)c2cn3ccsc3n2)CCCNC1=O 1704316731 BYRHSMLXTQAQOF-QHCPKHFHSA-N 610.766 2.779 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)Cn3nc(C)cc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772705348 MJXCHSUIEHBQTQ-CRYDVJBISA-N 757.933 2.630 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccccc1)CCCCNC2=O 1857695425 JENUZRUQEOJZGI-YPCYDDIISA-N 717.820 2.785 0 50 KFAA O=C1NCCCN(C(=O)c2ccc(Cl)c(O)c2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875240360 BIOJKTCLYPCUTI-GGZJYHEGSA-N 509.006 2.734 0 50 KFAA COCC[C@]1(C(=O)NCc2cccc(Cl)c2C)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242160 LAHVBFXSQOMQKT-SSEXGKCCSA-N 573.134 2.915 0 50 KFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 59771966 OTQYQLZIFHBMQH-RUZDIDTESA-N 537.638 2.622 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)Cc2ccc(F)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1857705230 YSXSEJCZBFVGGK-YTTGMZPUSA-N 647.766 2.963 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)C1CCOCC1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857706734 OXHUYEPGKRPINE-HEIROHQZSA-N 695.814 2.537 0 50 KFAA Cc1cc(-c2ccc(S(=O)(=O)N3CCCNC(=O)CC[C@H](c4ccccc4)CCNC(=O)C3)o2)on1 1875240963 LQAOFCRVNRXHOU-FQEVSTJZSA-N 514.604 2.824 0 50 KFAA COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 16285745 IFIFSPZXCHVDED-UHFFFAOYSA-N 509.628 2.944 0 50 KFAA COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 59612423 JHBOGDZCOFPDNW-UHFFFAOYSA-N 539.610 2.948 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)O[C@H](c2ccc(OC(C)=O)cc2)C3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150352328 AVJCERHUOKLBBK-JFSLVGESSA-N 628.583 2.528 0 50 KFAA biogenic COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1cc(Cl)no1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952862370 OTMFFPJYDJSMDH-SANMLTNESA-N 650.136 2.872 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCCN3CCCCCC3)C[C@@H]1NC2=O 1704316451 PTYCCTMFHXVWBB-LSYYVWMOSA-N 564.683 2.748 0 50 KFAA CC(=O)N1CCC(C(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(C(=O)c4cccc5c4CCC5=O)CC(=O)N[C@H]3C2)CC1 2100532872 HELURVRAHLARPO-IHLOFXLRSA-N 600.716 2.800 0 50 KFAA CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2cccc(F)c2)(C(F)(F)F)C(=O)N3)cc1OCC 2192639 XPDZWLUDUSRJOL-VWLOTQADSA-N 564.492 2.856 0 50 KFAA O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1 16393155 TZGRXHAJTIZKTB-UHFFFAOYSA-N 516.959 2.697 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc[nH]n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952865694 WEEJSCRFZSFVNG-IGKIAQTJSA-N 559.623 2.674 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cccnc1)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857707242 KAUVAGFQLYCYKG-UKPGIYTDSA-N 599.688 2.612 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)CCn1nc(C)c(C(C)=O)c1C)CCNC2=O 1857726477 SWCVAKOYZXGXPU-JOCHJYFZSA-N 656.744 2.888 0 50 KFAA COc1ccc2cc1OCCCN(CC1CC1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940194934 DHFCJDAOIPMMEB-VWLOTQADSA-N 531.657 2.897 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)c3cncc(Cl)c3)C[C@@H]1NC2=O 2356161240 LZHMIHNQZPRLDD-XZOQPEGZSA-N 568.989 2.983 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCC(=O)N1CCCCCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952855887 LSBHQJUKXFTPAS-PMERELPUSA-N 673.815 2.781 0 50 KFAA Cc1nccn1CCC(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCNC2=O 952856458 IVNIHJARFJDUMM-MHZLTWQESA-N 587.677 2.857 0 50 KFAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 952863925 JQGWWZGCVCKQID-IOWSJCHKSA-N 641.773 2.650 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(Cc2cccnc2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704323779 ZCNZNECWQDHRJW-DTBDFGAESA-N 750.992 2.846 0 50 KFAA O=C1NCCCCN(C(=O)CCc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2)[C@H]2C[C@@H]1N(C(=O)[C@H]1CCCO1)C2 1704344981 RYUYRRFKKPKUIZ-HPUNYJORSA-N 618.731 2.768 0 50 KFAA CCOC(=O)CNc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 150662694 OXYJAFBKBDZTEF-ZLPBPMGLSA-N 642.621 2.819 0 50 KFAA CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253504624 DLOMXAWRMLVFKA-HZDOGPGQSA-N 720.809 2.825 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(Cc3ccc(OC)c(OC)c3OC)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952857289 VLNDAIUMGGOTPA-XCZPVHLTSA-N 606.676 2.888 0 50 KFAA CCOCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 952868902 VGWJMTPVBOGYQP-LOSJGSFVSA-N 509.603 2.522 0 50 KFAA Cc1ccc(C(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)c(C)n1 1704322808 OXTVUHSLKMXWIM-LGXAAPQCSA-N 771.945 2.758 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccc(O)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324202 YEWRKGVZGIJKKK-YFZVMGGLSA-N 809.965 2.969 0 50 KFAA COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)cc1F 2100532863 GAUCWBHEDUKQFG-XLUPFTGTSA-N 564.658 2.540 0 50 KFAA CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](NC(=O)c2cc(Br)cs2)[C@H](CC2CC2)C1 2325877073 IJCVRCKKAVXAMT-FRFSOERESA-N 520.515 2.831 0 50 KFAA CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 2959909 BNWDNOUHBYPFIE-NZRLAXAZSA-N 599.665 2.817 0 50 KFAA COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225422250 HFTBHDVPIRTSGM-SLYNCCJLSA-N 534.565 2.593 0 50 KFAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 409413118 CSYVSOAOHJUQBX-VXNXHJTFSA-N 544.693 2.686 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3cccc(O)n3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952862668 KGZXUXBDMJEBHR-IZZNHLLZSA-N 544.608 2.900 0 50 KFAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(c1nc3ccccc3o1)CCCNC2=O 952868126 BUYQZTRJNYQWSM-IBGZPJMESA-N 537.617 2.599 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(Cn3cccn3)cc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704323491 PZTFCPBRNZAANB-GJZSCTEUSA-N 755.946 2.526 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)CN2CCc3ccccc3C2)CCNC(=O)COc2cc(ccc2OC)C1 1775979477 VVHPWAWGGVBZAM-PSXMRANNSA-N 648.801 2.879 0 50 KFAA Cc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)cc1N1CCNC1=O 1875242413 RDNWIHDIFWZMPG-RPYFQTMASA-N 779.855 2.949 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccccc4)C3)CN2C1=O 2100533849 ICZRXDOCEJMPRV-WEVICVSQSA-N 530.669 2.782 0 50 KFAA COc1ccccc1CCC(=O)N1CCN(CCOc2cccc(CN(C)C[C@H]3CCC(=O)N3)c2)CC1 14880813 ZDQWYWMWEACQCK-RUZDIDTESA-N 508.663 2.561 0 50 KFAA COC(=O)C[C@@H](c1ccccc1OC)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225418211 UWBTVLSCNQZHQI-LQWHRVPQSA-N 506.555 2.830 0 50 KFAA biogenic CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCCc2ccc(O)cc2)c2cc(OC)c3c(c2)OCO3)c1O 253496517 KEJXJTJCYAGHEZ-SFHVURJKSA-N 524.526 2.993 0 50 KFAA COc1cc2c(cc1OC)[C@@H](NC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)CC2 888090526 GQJBCECWQZWWEZ-MBSDFSHPSA-N 529.659 2.721 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cn(-c3ccccc3)nn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533970 NQPMILOGXPKTJJ-AREMUKBSSA-N 584.681 2.703 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C(=O)N[C@H]1Cc1ccccc1 952863206 UWGGZDILCBPTEG-DEOSSOPVSA-N 535.048 2.644 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCc3ccccc3C2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702626 UNSTVSWVYUKKRE-ZEOQKDQMSA-N 730.911 2.781 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cn3cc(Cl)ccc3n1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713113 DPRJEHZLLNHMSW-RNAHPLFWSA-N 662.195 2.871 0 50 KFAA COc1ccc([C@H](CC(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)c2c(O)n3ccccc3nc2=O)cc1 1776111876 VQKLPMFPFYHORQ-NRFANRHFSA-N 543.555 2.905 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(C(=O)c1cnc3cccnn13)CCNC(=O)CC2 1875241622 URXXLKGOIHPMKW-XMMPIXPASA-N 598.660 2.948 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1F 103651795 LTOZIPKEOGLEJO-SDHOMARFSA-N 544.693 2.568 0 50 KFAA CCOc1cc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O 263586841 YOLQANLNDICHCO-ZWKOTPCHSA-N 603.539 2.579 0 50 KFAA biogenic CC(C)Cc1ccc(C(=O)N2CC(=O)N[C@@H](C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C2)cc1 1704322046 FUFINJFSSLLZTK-OWTRXNHJSA-N 617.791 2.705 0 50 KFAA Cc1cc(CC(=O)N2CCc3c4ncn3CC(=O)NCCN(C(=O)c3ccc5scnc5c3)CC(=O)NCCCOc3cccc(c3)[C@H]42)on1 1775976612 CHEVJQMNZIDSIT-UUWRZZSWSA-N 696.790 2.663 0 50 KFAA Cc1cc(CC(=O)N2CCNC(=O)Cn3cnc4c3CCN(C(=O)c3ccc(C)n3C(F)F)[C@H]4c3cccc(c3)OCCCNC(=O)C2)on1 1800430299 HVORIPFJUUJLQF-YTTGMZPUSA-N 692.724 2.559 0 50 KFAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(Cc3cccc(F)c3F)CCCC1=O)C2 1875241341 AYLXLTIQEVGZQS-NRFANRHFSA-N 558.674 2.524 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cccc(-n3cnnc3)n1)CCNC2=O 1875241858 WYRMEAYOLRGCER-SSEXGKCCSA-N 664.727 2.708 0 50 KFAA COCC[C@]1(C(=O)NCc2nc(C(C)(C)C)cs2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242362 OQENDTORJGXYET-SSEXGKCCSA-N 587.787 2.707 0 50 KFAA CCOc1ncccc1C(=O)N1CCNC(=O)[C@H]2CN(C(=O)Cc3csc(C)n3)C[C@@H]2c2ccc(OC)c(c2)OCC1 2100534262 ZZVPWTQWTSVBHF-RPWUZVMVSA-N 593.706 2.690 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCN(C)C3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952856078 HYSSMQVLGCBBSA-NSOVKSMOSA-N 607.708 2.712 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cccn3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772700587 DZDUPLXWBUBZLD-NGTAJDMZSA-N 728.891 2.769 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1n[nH]c3c1COCC3)CCCCNC2=O 1857688895 YRKRJEYOQGLBBF-SSEXGKCCSA-N 662.744 2.715 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)c2ncc(F)cc2F)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857741230 JSSRNTSFQFZRSF-LJQANCHMSA-N 530.620 2.881 0 50 KFAA Cc1cnc2c(C(=O)N3CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc4ccccc4)NC(=O)c4ccc(cc4)C3)cnn2c1 1704315981 HRTQQMUNHOADCY-WHODAWOQSA-N 694.837 2.967 0 50 KFAA CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCCNC(=O)COc5cccc6c5C(=O)N([C@H]5CCC(=O)NC5=O)C6=O)CC4)cn3)cc2n(C2CCCC2)c1=O 1848350489 PHXAASMYZCBYHV-BHVANESWSA-N 936.036 2.929 0 50 KFAA Cc1cc2cccc(C(=O)N3C[C@@H]4c5cccc(c5)OCCN(C(=O)CN5CCOC5=O)CCCNC(=O)[C@H]4C3)c2o1 1875239883 PMKWFDBSAUPSHF-FTJBHMTQSA-N 574.634 2.777 0 50 KFAA COCCC(=O)N1C[C@@H]2c3cccc(c3)OCCCN(C(=O)Cc3cccc(Cl)c3)CCNC(=O)[C@H]2C1 1875242339 NRQADHNJKRMKQZ-RPBOFIJWSA-N 528.049 2.889 0 50 KFAA CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59731954 GJDXWWOZLAIHKJ-SANMLTNESA-N 584.720 2.775 0 50 KFAA CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)c1O 253496452 CJWSPJLKEPQUDL-INIZCTEOSA-N 508.483 2.965 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)CSC)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704328516 KCMGXNVXQGMGLW-QSTVZNNWSA-N 653.846 2.674 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(C(=O)NCC(C)C)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c(C)o1 1772713248 ICTQCXIISIIJFD-NSOVKSMOSA-N 588.661 2.993 0 50 KFAA CC(C)C[C@@H]1NC(=O)CCCN(C(=O)CN2CC(=O)NC2=O)CCCNC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1857697178 ZKTADFSCPKNTFF-GOTSBHOMSA-N 708.867 2.811 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CC(C)C)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100534203 XZQICRQXOGFGIZ-AREMUKBSSA-N 527.666 2.863 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 409413116 CSYVSOAOHJUQBX-KMDXXIMOSA-N 544.693 2.686 0 50 KFAA biogenic COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc[nH]3)C[C@@H]1OCc1cccc(c1)O2 952865480 YOYQAGAKPJPGGO-BDYUSTAISA-N 577.638 2.675 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(CC2CC2)CCCNC1=O 1704323711 UALAFZDWFPLVFV-DEOSSOPVSA-N 514.696 2.639 0 50 KFAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)c1ccccc1)CCNC3=O 1775978941 RDSVZDAYACWWBH-NEEKEDPPSA-N 679.822 2.859 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](Cc3ccccc3)C(N)=O)CCN(Cc3ccccc3)CC2)o1 1848443422 QJZRZPYWHDHEDZ-QHCPKHFHSA-N 503.599 2.791 0 50 KFAA CCc1c(C)nn(CC(=O)N2CCCCNC(=O)c3ccc(OC)c(c3)Oc3cccc(OC)c3CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C2)c1C 1857705243 ZFHLLZYRTFZNIP-AUMPDRJASA-N 777.920 2.547 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NCCc3noc([C@H]4CCCO4)n3)cc(c1)-n1ccnc1-2 1857726460 RWGZFEDMQPNCAV-JOCHJYFZSA-N 544.568 2.764 0 50 KFAA COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@H](C)C(=O)O)cc(OC)c1OC 12381003 QAHOYLGIIXKZCY-GFQQVXNGSA-N 507.337 2.835 0 50 KFAA biogenic O=C(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 100814743 FEUOJOHXGXZYBX-AREMUKBSSA-N 542.592 2.981 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc(-c3ncc[nH]3)s1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952857690 LIODMLRSKGGYHD-XUHJDFEOSA-N 749.895 2.770 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cnccc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322039 DJIZZZDTVBUTGD-YKGWTUMTSA-N 808.981 2.967 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCc1cc(Cl)no1)CCCCNC2=O 1857698352 MQCCDTGMDMCKMH-NMUJKEQYSA-N 771.268 2.745 0 50 KFAA COc1ccc([C@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)nc3ccccn3c2=O)cc1 2049512067 ZCZCUFYLFSCTPI-NRFANRHFSA-N 500.559 2.506 0 50 KFAA COc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)ccc1F 2100533475 QRWNOXUBDZNQDP-XLUPFTGTSA-N 564.658 2.540 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCNC(=O)COc2ccc(cc2OC)C1 1857704057 BPHHWFOOOJSXEV-MGBGTMOVSA-N 709.884 2.723 0 50 KFAA O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N(CCO)CCO 102705584 DTSXMXYZPSLFDP-WNCULLNHSA-N 563.665 2.707 0 50 KFAA CC(C)C[C@@H]1NC(=O)CCCN(C(=O)COCC(N)=O)CCCNC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817236 JKQUCRNINCDUCR-GOTSBHOMSA-N 683.857 2.761 0 50 KFAA CCOP(=O)(OCC)[C@@]1(C)[C@@H](COC(=O)NCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC=[N+]1[O-] 64857833 UAQUUBGIOJZAFO-KORDIETESA-N 591.668 2.528 0 50 KFAA in-vitro CCc1nccn1CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952859390 VFQGCAGNKWHYPY-VMPREFPWSA-N 603.720 2.698 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1cc(C)oc1C)CCCNC(=O)[C@@H](C)NC2=O 1704316599 WTUHHMMQAMJNSE-LJQANCHMSA-N 522.606 2.546 0 50 KFAA CCCCN1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)CN(c2cccc(F)c2)S(C)(=O)=O)N(C(=O)CC(C)C)CCC1 1704322673 OQWIPBLMKDWJAH-SVBPBHIXSA-N 609.809 2.838 0 50 KFAA Cc1ccn(CC(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)n1 1704329167 NXFISMGXJDKQAN-SATCGAIXSA-N 657.816 2.507 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCCN2CCOCC2)CCNC(=O)c2csc1n2 1772700487 FOCAXWQAKXPYOF-DQEYMECFSA-N 665.817 2.733 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCN(Cc1c(Cl)cncc1Cl)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714404 OXYAPZNFLQYVHW-HAALKUMUSA-N 700.672 2.746 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CN3CCCCCC3=O)C[C@@H]21 1875239866 LATSDTCPNNOKPM-LEWJYISDSA-N 507.587 2.953 0 50 KFAA CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ccc(=NC[C@@H]4CCN(C(=O)C(C)(C)C)C4)[nH]n3)CC2)C1 1875351726 GKFYBLUVVGEXRS-IBGZPJMESA-N 514.671 2.678 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1ccc(N2CCOCC2)cc1 2100534156 WALHGPVZIPKZID-RRPNLBNLSA-N 578.710 2.715 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O 64858081 GWNVDXQDILPJIG-MOKORLJISA-N 625.785 2.777 0 50 KFAA in-vitro COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1ncoc1C)CCN(C(=O)c1ccnn1C)CCC(=O)NC[C@H]1CCCN3C1 1875241512 AYZIGRXTQLJFTF-JOCHJYFZSA-N 674.759 2.812 0 50 KFAA CCN1CCN(C(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)CC1 16347263 KJVJVLOREADEOC-UHFFFAOYSA-N 513.401 2.651 0 50 KFAA COc1cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)C(C)C)cc2ccccc12 35051152 NTJVVCBHEXNCDD-SONWIMMPSA-N 513.683 2.915 0 50 KFAA O=C1[C@@H]2[C@@H](C(=O)N1CCOCc1ccccc1)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(CCOCc3ccccc3)C(=O)[C@H]21 245226143 JCNCGBKWUNBWRO-JPNMGIMYSA-N 540.616 2.684 0 50 KFAA Cc1cc(C)n2nc(CC(=O)N3CC[C@H]4OCc5cccc(c5)Oc5cccc(c5)CCC(=O)N(C)CC(=O)N[C@H]4C3)nc2n1 952864957 TXRRKFJLCQSGFO-WUFINQPMSA-N 611.703 2.783 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)Cc1nonc1C)CCCNC2=O 1704322263 LRCCRQOJBOHOHZ-UHFFFAOYSA-N 539.564 2.919 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2c(F)cccc2Cl)CCNC(=O)COc2cccc(c2)C1 1857700372 ATNARUMMMJUYID-LJAQVGFWSA-N 592.064 2.765 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2cc(C)on2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857703804 SGHMOCFCQIIRKN-HJBAEEAOSA-N 724.787 2.602 0 50 KFAA O=C1CC[C@H](N2C(=O)c3cccc(OCCCCCNC(=O)[C@H]4C[C@@H](NC(=O)c5cc(-c6cccs6)on5)C4)c3C2=O)C(=O)N1 1875382793 RKSFCNOMERQBIT-UEXGIBASSA-N 633.683 2.678 0 50 KFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 2853765 XMBORTQIAHRENG-UHFFFAOYSA-N 565.455 2.726 0 50 KFAA CCOC(=O)C1=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 150495956 VGVVQIPTYNFYMD-IEMMCJMXSA-N 664.758 2.843 0 50 KFAA COc1ccccc1N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@H]2C1=O 247960861 OGNKSVOBEJANPK-BGAAUONKSA-N 536.588 2.624 0 50 KFAA CCCCC/C=C/C/C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O 248246055 GWNVDXQDILPJIG-GDZVZFRVSA-N 625.785 2.777 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(CC(C)C)nn1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864064 XPRQPYAHGWKJHA-LJAQVGFWSA-N 656.788 2.844 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2c(C)nn(C)c2C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979369 UQYPJTIKTBLGLE-JRPXNJEYSA-N 636.798 2.505 0 50 KFAA CS(=O)(=O)N1CCC(c2cn(C3CCN(C(=O)c4cccc(C(=O)N5CCc6c(C(=O)O)ccc(F)c6C5)c4)CC3)nn2)CC1 1875324533 BXWKNKRGRGGGQK-UHFFFAOYSA-N 638.722 2.930 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N[C@@]4(Cc5ccc(C(F)(F)F)cc5)CCOC4)ccc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c1cc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)c2c(C)noc2n1 952856048 FEOQRTZHYDSQCZ-XMMPIXPASA-N 606.659 2.608 0 50 KFAA CCCCS(=O)(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cc(ccc3OC)C(=O)N(CCCO)CC(=O)N[C@H]2C1 952864956 SEQGWYFOXYRLHX-DQEYMECFSA-N 589.711 2.531 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccccc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323222 CRNJUFBYJLIVFK-DOUMQJFESA-N 621.779 2.543 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cc(C)cc(F)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704326552 GTCNKGOQJJPFPD-AREMUKBSSA-N 551.619 2.798 0 50 KFAA CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1 1772817965 KNKGKJUPWOSNFL-VMPREFPWSA-N 619.696 2.590 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc3ccccc3n(C)c2=O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980645 GFDKAKOOQQOAJY-CHJDUVSTSA-N 657.772 2.687 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(CCCc3ccccc3)C2)nn1 11910684 LIMSCNCMIMTZIB-AHWVRZQESA-N 520.609 2.801 0 50 KFAA COc1ccc([C@@H](CC(=O)NCc2cc(=O)n(-c3ccccc3)[nH]2)c2c(O)n3ccccc3nc2=O)cc1 1776111646 JBTUWOPDDKKRNN-JOCHJYFZSA-N 511.538 2.726 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccn1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533704 WMYSZWQUPYFUPL-AREMUKBSSA-N 548.644 2.526 0 50 KFAA COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@@]5(C)[C@H](CC[C@]5(O)C(=O)COC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257350171 VHUKGPDDOKOJMT-DUQJTWICSA-N 708.798 2.971 0 50 KFAA O=C([C@H](c1cccnc1)N1CCCC1)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952864340 FMSRZAGNBNKKAO-NDEPHWFRSA-N 557.699 2.803 0 50 KFAA Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1 100451819 WZRBAVDJTYIQBI-IFZRMHHFSA-N 595.568 2.907 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(S(=O)(=O)N2CCC(C)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322644 NNUDRFSJWZRSFV-AKNLYBCOSA-N 726.941 2.761 0 50 KFAA O=C1NCCCCN(C(=O)CCc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2)[C@H]2C[C@@H]1N(C(=O)CCCn1cncn1)C2 1704339974 AHBUFCQODASYHL-VMPREFPWSA-N 657.772 2.660 0 50 KFAA Cc1c(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cnn1C 1772817239 JNYHBAVDFMYGOY-OFVILXPXSA-N 618.720 2.586 0 50 KFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccccc2)cc1 1141855 LLKCHUJFZMXACQ-UHFFFAOYSA-N 503.602 2.925 0 50 KFAA O=C(N[C@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1nc2ccccc2[nH]1 14209607 JHRSGCIIDRWHCD-UARRHKHWSA-N 525.675 2.948 0 50 KFAA in-vitro COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)CCCS(N)(=O)=O)CC1)C(=O)NC2 1772705826 RVHAOCJUQBAUFG-UHFFFAOYSA-N 696.779 2.743 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 16711773 FZZSREYQDOPWJP-BUDOKORBSA-N 500.935 2.987 0 50 KFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@@H]1O)C3(C)C)[C@H](O)C2 257355064 KVVHJCZXSZVOLS-IGXIACETSA-N 546.796 2.511 0 50 KFAA CCn1nc(C(C)C)cc1C(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704321640 DFLISVUFCMMMBX-HOFKKMOUSA-N 561.639 2.746 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CCn1ccc(O)nc1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817533 OIAHXPZNBXXCOO-FIPFOOKPSA-N 704.810 2.671 0 50 KFAA COCCC[C@@]1(C(=O)NCc2c(C)noc2C)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857690788 LKSATMDZEOXIJM-YTTGMZPUSA-N 602.692 2.852 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccncc1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533580 VPJGMDIZBPSJCC-AREMUKBSSA-N 548.644 2.526 0 50 KFAA COCCC1CN(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H](c4ccc(F)cc4)C3)cc2S(N)(=O)=O)C1 2325823327 NPVOBSFFORNVLR-FPOVZHCZSA-N 525.668 2.951 0 50 KFAA CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 59608030 PRYRMPUHBJJTHY-UHFFFAOYSA-N 537.638 2.959 0 50 KFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCCNC(=O)c2ncccc2OCCNC(=O)CCC1 1857696433 ADZYQSUZYFFIJW-UHFFFAOYSA-N 505.619 2.968 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)CN(C)Cc2ccccc2)CCNC(=O)COc2cc(ccc2OC)C1 1857702203 DLLJOZNCZKMUSS-PGUFJCEWSA-N 636.790 2.953 0 50 KFAA COc1ccc2cc1Oc1cc(F)cc(c1)CNC(=O)C1(CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC1)Oc1ccc(cc1)OCCNC2=O 1857706711 OEZNHCNCDJYFNI-UHFFFAOYSA-N 701.708 2.516 0 50 KFAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@H](C2CC2)[C@H]1Cn1cc(-c2ccc(Cl)cn2)nn1 2325843237 ZZHGTNBJALLALI-XMSQKQJNSA-N 541.033 2.855 0 50 KFAA Cc1c([C@@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cnn1-c1ccc(F)cc1 2325877421 QPVBDOWZFDOTLB-ZUOKHONESA-N 525.400 2.599 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(C)cc3)C2)nn1 12243578 AFSJBZHEZXOIQH-ZCYQVOJMSA-N 506.582 2.677 0 50 KFAA CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 49841054 BLMPQMFVWMYDKT-NZTKNTHTSA-N 719.924 2.584 0 50 KFAA fda CC(C)C[C@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952864320 OLCAFWLINFOQKY-DHIUTWEWSA-N 539.036 2.512 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CN2CCCC2=O)CCCNC(=O)c2csc1n2 1772817160 IDWKBTCUUNQBAO-IDISGSTGSA-N 651.815 2.711 0 50 KFAA CC(C)Oc1ccc(-c2nc(C(=O)N3CCC[C@@H](n4cc(CN5C(=O)COCC5=O)nn4)C3)cs2)cc1 1875361247 QXXADTVGMAKCHA-LJQANCHMSA-N 524.603 2.552 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1cccc2c1COC2 2100532856 FKBBAMSNEVYDNB-XZOQPEGZSA-N 535.641 2.909 0 50 KFAA CCc1nn2c(=O)c(C(c3ccc(Cl)cc3)c3c(O)nc4sc(CC)nn4c3=O)c(O)nc2s1 8816657 ZYKXKTNLXASEHR-UHFFFAOYSA-N 516.992 2.985 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)CCNC(C)=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857699371 ODASWHMRQBMQLK-IEWVHIKDSA-N 758.873 2.613 0 50 KFAA Cn1cnnc1Sc1ccc(CN2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)o1 1857741015 YBNVKVQMQSJIRM-MHZLTWQESA-N 670.800 2.717 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2ccccn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940194839 WMPNFBAGRUDRMK-RUZDIDTESA-N 504.635 2.877 0 50 KFAA O=C1CN2C(=O)[C@]3(CCN(C(=O)CC4CCNCC4)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952856137 MTKBTEHUHKAKBX-LMSSTIIKSA-N 502.615 2.533 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)c2ccc3c(c2)OCCO3)CCCNC1=O 1704322596 JQFBQTLOLGVOLZ-SANMLTNESA-N 622.748 2.841 0 50 KFAA CCn1nc(C)cc1C(=O)N1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1 1704323880 IVSOAGXDCPQLHD-NSCCKQAPSA-N 826.012 2.789 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)Cc1ccc3c(c1)OCO3)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100532891 IWFNALZEEYPRNS-SSEXGKCCSA-N 605.692 2.788 0 50 KFAA Cc1c([C@@H](C)NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cnn1-c1ccc(F)cc1 2325877420 QPVBDOWZFDOTLB-XCLFUZPHSA-N 525.400 2.599 0 50 KFAA COc1ccccc1OCC(=O)N1CC[C@@H]2Oc3ccc(cc3)CNC(=O)COc3cc(ccc3C)C(=O)N[C@H]2C1 2356162307 HFCJYOANALRWGB-DQEYMECFSA-N 559.619 2.870 0 50 KFAA CC(=O)N1CCC(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)CC1 1704318754 QNIYHDYYDAWXLJ-SJHFQCKASA-N 688.870 2.560 0 50 KFAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772714110 ZPEYGUJHYHUSEV-BVPJJHLOSA-N 716.880 2.627 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2ccc(S(C)(=O)=O)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1857700872 AERGOVSQHWYKHT-XIFFEERXSA-N 643.803 2.898 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cn3cccnc3n1)CCNC2=O 1875241879 XLOYXOYRQFPECB-MUUNZHRXSA-N 637.701 2.775 0 50 KFAA O=C(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)NCC(=O)OCc1ccccc1 5706748 FEUOJOHXGXZYBX-SANMLTNESA-N 542.592 2.981 0 50 KFAA O=C(Nc1ccccc1)c1ccc(N2CCN(c3ccccn3)CC2)c(S(=O)(=O)N2CCOCC2)c1 8670883 LFUIYCUAYNHKOU-UHFFFAOYSA-N 507.616 2.681 0 50 KFAA O=C(NC(=S)Nc1ncccc1OC(=S)NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 334161175 VNBFXTMATISIEN-UHFFFAOYSA-N 524.536 2.760 0 50 KFAA CCn1ccc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)cc1=O 952856116 KYTWSGGKAYKIMJ-VMPREFPWSA-N 633.702 2.528 0 50 KFAA CNc1nc(C)cc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)CCc4ccc(OC)c(c4)Oc4cccc(c4)CO[C@H]3C2)n1 952862402 MLKNIEXKYANNKL-LSYYVWMOSA-N 604.708 2.939 0 50 KFAA Cc1ccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c(O)n1 1772713525 KSONUTHRPDJDNF-SVBPBHIXSA-N 572.618 2.595 0 50 KFAA Cc1c(S(=O)(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N2C3)cnn1C 1857741577 ZCIFYVCLZRSSHJ-GMISPTPDSA-N 521.728 2.697 0 50 KFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CCCN1 1875241160 PSIIHPBRPRAFPM-QFIPXVFZSA-N 535.624 2.678 0 50 KFAA COc1cc(C(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc(OC)c1OC 2356134981 LGYNNXXIOMABDN-ITESVNAYSA-N 562.667 2.791 0 50 KFAA O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1)c1cc(F)c(F)cc1Cl 16385495 LNLYMDXEKZYQTC-UHFFFAOYSA-N 501.939 2.728 0 50 KFAA O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)c1ccco1 109995439 QYMFQQASNBJPDL-SNVBAGLBSA-N 527.052 2.620 0 50 KFAA COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225425978 HSBBIFBWTCXIQB-KPFFTGBYSA-N 552.580 2.544 0 50 KFAA biogenic Cc1ccc(CCC(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c(C)c1 1704322730 NZWNGXLWNFGGBD-UBQPBEJKSA-N 745.947 2.857 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)[C@H]1CCCO1)C2 1772700712 DQIHTXLTMTWLLP-DHIUTWEWSA-N 524.618 2.548 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(OC)cc(C(=O)OC)c2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775982423 UZBARFKGSGAWMT-LGGPFLRQSA-N 664.760 2.630 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CCNC(=O)COc2cccc(c2)C1 1857700083 MAJQFJLEXQMVNC-DHUJRADRSA-N 647.773 2.834 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)CN(C(=O)CCCN)CCCNC(=O)c2csc1n2 2084380435 MWGNSAXUYVSLQC-NLFFAJNJSA-N 611.794 2.828 0 50 KFAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 2325875623 YALOUCMMFOSAQA-QHAWAJNXSA-N 500.644 2.598 0 50 KFAA C[C@@H]1NC(=O)CN(Cc2cnc[nH]2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356134745 AGZNOKGXPQGXCQ-FQEVSTJZSA-N 528.617 2.560 0 50 KFAA NC(=O)COc1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc1Cl 2356135203 SZJJSFBBPNGLJC-CYVWVULMSA-N 566.102 2.643 0 50 KFAA CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2ccccc2O)[C@H]31 250685018 CXHOWVXUEZYAFS-BUJWNFNYSA-N 500.598 2.725 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)[C@H]2CC[C@@H](O)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704339078 BULWPIQXMDMKRJ-XKZMXPDRSA-N 691.870 2.862 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)[C@H]3CNC(=O)C3)CC1)C(=O)NC2 1772713733 RFTWHHWFACNERX-XMMPIXPASA-N 658.708 2.811 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccncc1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772713872 UXWNQXJPNYASBY-QFIPXVFZSA-N 516.554 2.594 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2csc(SC)n2)C1 14534579 HGSQLDHWGJVHRW-IBGZPJMESA-N 520.677 2.612 0 50 KFAA COc1ccc(-c2nn3c(=O)cc(CN4CCN(C(=O)c5ccc(OC)c(OC)c5)CC4)nc3s2)cc1 59560493 VOCBRNKPBGDNKH-UHFFFAOYSA-N 521.599 2.802 0 50 KFAA COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225415427 DVHIIHAHNYDIGX-SLYNCCJLSA-N 536.581 2.839 0 50 KFAA biogenic CCc1ncc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cn1 1772816866 DNCNUWHBFJGSDY-LVXARBLLSA-N 630.731 2.896 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCNC2=O 1875240388 BZRSBGXOWYZUKA-HSZRJFAPSA-N 660.753 2.646 0 50 KFAA COCCCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1cccc(N)n1)[C@@H]1CCN(C(=O)C2CCCC2)C1 2325839593 YTGKTKZEOUDMIR-IFMALSPDSA-N 501.672 2.997 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 8860455 GWNVDXQDILPJIG-YKRBYRBKSA-N 625.785 2.777 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100598971 KCIQYHXHHXMOOM-ZDGAQAAHSA-N 550.589 2.658 0 50 KFAA O=C(CCn1cncn1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952863388 VRRWYCUNBGKENZ-XTEPFMGCSA-N 524.585 2.501 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)COc1ccc(Cl)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952869463 KXOHIKRBCJPRQS-JZOXGFSOSA-N 742.274 2.737 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)COCc2ccccc2)CCCNC1=O 1704322931 MERIALBKTDVBDQ-NDEPHWFRSA-N 608.765 2.972 0 50 KFAA COc1cc2c(cc1CN1CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC1)OCO2 1772713320 JLGQUJRPHJVUEC-DICHSLLOSA-N 647.777 2.667 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3c(C)ncnc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713744 QWVQTHAGIMQOSU-LPIXWXTCSA-N 755.917 2.837 0 50 KFAA O=C(CCN1C(=O)c2ccccc2C1=O)NCCCCCCCNC(=O)CCN1C(=O)c2ccccc2C1=O 100703494 MBARUELTERKNND-UHFFFAOYSA-N 532.597 2.542 0 50 KFAA COC(=O)CCNC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 253412213 QFFPPBIRNHPCFS-NRFANRHFSA-N 555.628 2.734 0 50 KFAA biogenic Cc1ccn2c(F)c(C(=O)N3CCCNC(=O)Cn4nc(C)nc4[C@H](C(C)C)NC(=O)[C@@H](Cc4ccccc4)NC(=O)CCC3)nc2c1 1772713242 IBXVFHWVOGLEOG-IRPSRAIASA-N 659.767 2.665 0 50 KFAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)C1CCN(C(=O)C2CCCC2)CC1)CCNC3=O 1857705750 UGEJTCSFUWVPFG-UYHPJTEGSA-N 782.987 2.974 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CNCCCCNC(=O)c1ccc(OC)c(c1)O2 1857711257 QGBHXSWLJYZFCU-FIPFOOKPSA-N 645.757 2.848 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(C3CC3)[nH]n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533600 AMPHELBMFYSZSW-XMMPIXPASA-N 547.660 2.723 0 50 KFAA CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1 2325869659 XGIWCLBIHIPTIB-ZCYQVOJMSA-N 508.644 2.944 0 50 KFAA C[C@@H](NC(=O)C1(NC(N)=O)CC1)[C@H](NC(=O)c1ccsc1I)c1ccccc1 2325877000 HANKLXJBLZLOJY-RISCZKNCSA-N 512.373 2.529 0 50 KFAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3c(-n4cnnn4)sc(C)c3C)CC[C@H]1O2 2356161285 ODEFICNUQUYPBP-BJKOFHAPSA-N 631.715 2.758 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cn3ccnc3C)CCCNC2=O)N(C(=O)c2ccc(C(F)(F)F)nc2)C1 1704317173 GBWBNFIOKAYDBX-DQEYMECFSA-N 685.704 2.835 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)[C@H]3CCCO3)CCCNC2=O)N(C(=O)CCc2ccccc2F)C1 1704324828 VJMYCJITXQKLMI-MDZVADFISA-N 638.737 2.853 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)Cc2ccc(F)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702761 BYGKMFJVFGBNPP-MWYIXNDJSA-N 669.758 2.881 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(S(C)(=O)=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857705675 PXWAMGQGHVTQNO-OUTSHDOLSA-N 723.849 2.520 0 50 KFAA CCOC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 654121 JBGWVPBVZRYGKV-DEOSSOPVSA-N 557.650 2.566 0 50 KFAA CC[C@@H](C)NC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 4790795 WSMWDFKMSPTCSE-GOSISDBHSA-N 500.596 2.566 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 9045475 HTHXYSDHPJMABN-FNUHDPNESA-N 512.971 2.996 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H]3C[C@H](NC(=O)c4cccnc4Oc4ccc(Cl)cc4)CN3C2=O)cc1 14732678 PXWCIHHIQWDPIC-TZYHBYERSA-N 520.973 2.976 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 100805548 ZUDAFFYMDWQVBX-ITIZVALFSA-N 552.605 2.749 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)NCC(=O)O)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253415119 ZRUBUCSERJDHPI-UQBPGWFLSA-N 541.601 2.500 0 50 KFAA biogenic CC(=O)O[C@H](CC1=C(O)C(=O)OC1)[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)[C@H](OC(=O)c2cccnc2)[C@@H](O)[C@@]1(C)O 257132761 ZZDJHMJHKZYAFI-FYAHVSIYSA-N 529.586 2.792 0 50 KFAA biogenic CCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCCCCCC(N)=O)[C@@H](C)CC 605699141 XEUVNVNAVKZSPT-JTJYXVOQSA-N 504.672 2.693 0 50 KFAA in-vitro CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2cccc(O)c2Cl)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713116 DSDRPENIFAIOBF-NIJXNBFTSA-N 639.153 2.542 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cccnc2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775978143 BPSPUJILORQQPF-IDISGSTGSA-N 563.703 2.590 0 50 KFAA Cn1cc(C(=O)N2CCC(C[C@@H]3CC(=O)NC3=O)CC2)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 2325878510 RYQDHWIODWVSLV-FGZHOGPDSA-N 521.618 2.841 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)c1cnn[nH]1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857697814 NKZAUCPZBZKQKS-OUTSHDOLSA-N 740.818 2.519 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cncc(F)c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857706660 YSOAXHJHBHQXOP-YOTDCDQCSA-N 700.728 2.645 0 50 KFAA CC(C)[C@@H](C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1)n1nnc(-c2ccccc2)n1 1875351903 NBWBGRUBECFVFC-IBGZPJMESA-N 508.384 2.996 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)C1CCN(C(=O)c2ccncc2)CC1 2100532934 MUIATEDXDVCATR-RRPNLBNLSA-N 605.736 2.512 0 50 KFAA Cc1noc(C)c1C(=O)N1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CN(C(=O)c2ncc(F)cc2F)CCCO4)C1 2100533259 HZWNDGYENGVRHM-AFJIDDCJSA-N 581.576 2.624 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)CSc1cn(C)c3ccccc13)CCNC2=O 2100534237 ZJWMSQJZZGAMFO-VWLOTQADSA-N 679.888 2.750 0 50 KFAA COc1cc2ccc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cc1cnc3c(C)cccn13)CCCNC2=O 2356162605 NDGROIMZIIOFBH-LJAQVGFWSA-N 616.723 2.648 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253500736 QLPBVUOEXHYSIY-UAEBTNLVSA-N 589.575 2.687 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)c1cccc(OCC(N)=O)c1)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704321920 IIMVZBHKPCALOZ-PZUNEJSGSA-N 550.656 2.516 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)CN1CCCN(C)CC1)CCCNC2=O 1704323047 SRKIJBQLKQTZMZ-UHFFFAOYSA-N 569.678 2.623 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cnc(-c3cccnc3)nc2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775982111 HVVDLCYGFCQPBJ-ZTOMLWHTSA-N 655.760 2.687 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2nsnc2C)CCNC(=O)COc2ccc(cc2OC)C1 1857703266 OVGJDSZNEJDZSX-SSEXGKCCSA-N 617.769 2.931 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccc3c(=O)n(C)cnc3c1)CCNC2=O 1857725525 AEFUZUQERPACCW-WJOKGBTCSA-N 678.750 2.979 0 50 KFAA COC(=O)N1CC[C@H](c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875387042 LBDHZXMUXOAWMU-NRFANRHFSA-N 538.630 2.510 0 50 KFAA Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 115418898 QWTAZVZBGPOSDO-UHFFFAOYSA-N 526.667 2.928 0 50 KFAA CSc1ncccc1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 952861865 CNRLPCRBPHGPPD-HSZRJFAPSA-N 583.690 2.572 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(Cc3cnc(C)n3C)C[C@@H]1NC(=O)CN(C)C2=O 952864425 VUWQXVYEHCBMBT-AHWVRZQESA-N 503.603 2.801 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccc(C)n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318033 MTSVLXQEJHCHNE-YKGWTUMTSA-N 808.981 2.967 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)CN2CCOc3ccccc3C2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857740155 BADKYAVVARYITR-RUZDIDTESA-N 578.758 2.789 0 50 KFAA CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1875351077 JWUMPLVTRNZQDS-LJQANCHMSA-N 555.657 2.716 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4ccc(-n5ccnc5)cc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533812 GSLAMZRPCJJXON-FLZDTVQKSA-N 568.722 2.937 0 50 KFAA COC(C)(C)CN1C(=O)c2cccc(N3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccco5)CC4)C3)c2C1=O 11790429 UNAXVEMNPWFMKK-LJQANCHMSA-N 522.602 2.502 0 50 KFAA CCOC(=O)CNc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1 150652924 OXYJAFBKBDZTEF-BSULFMODSA-N 642.621 2.819 0 50 KFAA biogenic CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857525478 MSFMMJSYVUWAEJ-AMVJKZIMSA-N 580.970 2.787 0 50 KFAA COc1cnc(C)cc1C(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)c3nc(co3)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c3nc(co3)C(=O)N2C1 2100534022 PQLWRXPCQADGQB-FFEOCEQPSA-N 726.791 2.823 0 50 KFAA COCCC1CN(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H](c4ccc(F)cc4)C3)cc2S(N)(=O)=O)C1 2325823329 NPVOBSFFORNVLR-TZIWHRDSSA-N 525.668 2.951 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(F)cc2F)C1 14533833 ZHQUHDDILHSLPP-OAQYLSRUSA-N 503.546 2.712 0 50 KFAA COc1ccc2c(ccn2CCNC(=O)[C@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)c1 252527441 COWJGRZBLKVRGD-BNIKKZEQSA-N 505.619 2.781 0 50 KFAA O=C(CN1CCN(c2ncccn2)CC1)N1CCCC(=O)N2CCCC[C@H]2CCc2cccc(c2)OCC1 1857703651 VBIXHTKUBFDQKO-VWLOTQADSA-N 520.678 2.614 0 50 KFAA Cc1cccc(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c1 1704321356 KGQOSFCZGZCVRB-ZJEFRKGSSA-N 689.883 2.590 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cccnc1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1704329548 WPNYECCMZAJCCF-QFIPXVFZSA-N 516.554 2.594 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2cc(Cl)no2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772705344 WLWJXVMNPGYSEQ-MUQQHEDISA-N 715.252 2.997 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCn2nc(C)c(C(C)=O)c2C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983938 WHAZNGNWOXZCGZ-BGOLNKOXSA-N 664.808 2.628 0 50 KFAA COc1ccc2cc1OCC(=O)NCCN(C(=O)/C=C/c1ccccc1)CCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCCn1ccnn1)C2 1875241693 FLXWIRJVWFTNBD-GXQSIGIQSA-N 685.826 2.769 0 50 KFAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1875255091 KMZMZBSQWNWIIK-BGYRXZFFSA-N 556.685 2.993 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 15659672 AWUJQOHTFHUCKE-YWFITGJYSA-N 500.598 2.886 0 50 KFAA COc1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 72099442 SHSWKRFHEJOKLK-ZKVDKWSRSA-N 503.507 2.939 0 50 KFAA in-vitro O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)CCCN3CCCC3=O)C[C@@H]2N1 952864212 MXJJMHOURTWNKG-KYJUHHDHSA-N 620.747 2.641 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(Cc2nccn2CCOC)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704312142 LIATZFLMTBIFOS-RNUPFYFNSA-N 703.885 2.827 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cn3cccnc3n2)CCCCNC(=O)[C@@H](C)NC1=O 1704318025 NKFSHKFGIIQCID-TZFWCWEWSA-N 680.810 2.658 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(CC2=CC[C@H]3C[C@@H]2C3(C)C)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704318671 PNKGYIAZGHFGPA-QYBBCTCVSA-N 579.786 2.516 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cc(C(F)F)nn2C)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772707057 WALIMUPDSDXMDU-AFQYKJSQSA-N 721.806 2.503 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714230 GSINGYLPTNOQTG-QNSGGPJCSA-N 744.898 2.935 0 50 KFAA Cc1cc(C(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@]3(CCCc4ccccc43)C(=O)NCC2)no1 2356133753 BFZJBGUBWYVNIC-LJAQVGFWSA-N 537.661 2.558 0 50 KFAA CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 4544484 UVBUBMSSQKOIBE-JLYWOGOWSA-N 721.838 2.564 0 50 KFAA in-man CCc1ccc(NC(=O)CSc2ccc3nnc(CCNS(=O)(=O)c4ccc(OC)cc4)n3n2)cc1 8589470 OAPGDBJKFIPUSZ-UHFFFAOYSA-N 526.644 2.947 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ncc(Sc3nnc(O)nc3O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 828178927 ZQLMKZLJFPDDIV-DQHZSEARSA-N 684.643 2.591 0 50 KFAA CS(=O)(=O)c1ccc(CN2C[C@@H]3NC(=O)CCNC(=O)c4cc(cc(C(=O)O)c4)Oc4cccc(c4)CO[C@H]3C2)cc1 952862181 MKUWPNIJOYYRPH-SVBPBHIXSA-N 593.658 2.600 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3c(C)noc3C)C[C@@H]1NC(=O)CN(C)C2=O 952863613 COZGYGGBULIMAU-AHWVRZQESA-N 532.597 2.933 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@@H]1CCCN1)CCCNC2=O 1772714376 NYWFLQISKVCFML-NRFANRHFSA-N 512.582 2.737 0 50 KFAA O=C(Nc1ccc(-c2n[nH]c(C3CN(CC(F)(F)F)C3)n2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1875383292 NWADDYAFZTYCSW-UHFFFAOYSA-N 548.591 2.916 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cnn(Cc3ccccc3)c2)C1 14542696 ZHVHZTGEZSWIMP-MHZLTWQESA-N 531.657 2.712 0 50 KFAA NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 227019416 RCYUEQQSQCSCIV-GQAKTHPZSA-N 506.868 2.549 0 50 KFAA CCC(=O)OCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253387799 OZJXTWMDBPQRGI-WUIGIDOWSA-N 862.064 2.680 0 50 KFAA biogenic C[C@@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@@H]3[C@H]5[C@H]6[C@H](CC[C@H]6[C@H]31)O[C@H](N1C(=O)CCC1=O)[C@]54C)O[C@@H]2N1C(=O)CCC1=O 253596815 WHKWKQIREHTRPI-BFXQSOORSA-N 520.626 2.551 0 50 KFAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704323978 KIMXLNDRTAKTFW-WMZHIEFXSA-N 539.036 2.784 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2c[nH]nc2C2CCCCC2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772701833 HUNWALGHPVHGMK-VYKTZEHYSA-N 702.861 2.591 0 50 KFAA Cn1cc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(C(=O)O)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c2ccccc21 1772713329 HHGNLEBCDOWPNM-BDYUSTAISA-N 568.586 2.587 0 50 KFAA O=C(c1ccoc1)N1CCN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)ccc2-3)CC1 150383200 SYZXVMQUQBQDBS-UHFFFAOYSA-N 650.735 2.737 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CN1CCOc3ccccc3C1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775980560 ZRRZFRSOCXFEPP-HKBQPEDESA-N 619.719 2.921 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2csc(CN(C)C)n2)CCNC(=O)COc2cc(ccc2OC)C1 1857698982 CVELFJPCHRYBNP-YTTGMZPUSA-N 643.807 2.653 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)c2ccn(C)c(=O)c2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857702629 FBCXYOKZHJOVBU-VWLOTQADSA-N 635.693 2.892 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccc3c(=O)n(C)cnc3c2)CCCC1=O 2356140074 SGXQHVIVDKUNFT-UMSFTDKQSA-N 614.747 2.508 0 50 KFAA COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1OC 6198945 JTYSKJVTIQSRDE-VZUCSPMQSA-N 529.600 2.830 0 50 KFAA CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1 113476229 GYQYAJJFPNQOOW-UHFFFAOYSA-N 552.724 2.697 0 50 KFAA investigational COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225427094 PRCORYUHMNQLGW-PIPMEXSNSA-N 534.565 2.608 0 50 KFAA biogenic COCC(=O)N1CC(=O)N[C@@H](CC(C)C)c2nc(cs2)C(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@@H](C(C)C)C1 1704316322 MMHHGPLLCPVAQR-CCDWMCETSA-N 652.822 2.590 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857703005 DQHSJYYYZPZQAY-ZHCFPJTISA-N 786.862 2.886 0 50 KFAA CC(C)C(=O)NCCCNc1ncc(C(F)(F)F)cc1S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 2325823541 WEWMZGANGIQPLO-OAQYLSRUSA-N 557.639 2.854 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@H]2SC1 15947428 CDTUWTAKKZRSFM-XMSQKQJNSA-N 520.947 2.736 0 50 KFAA CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253487917 TYQXKHPOXXXCTP-FROVPOSJSA-N 790.001 2.747 0 50 KFAA biogenic COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)[C@@H]3CCCN(CC(N)=O)C3)CC1)C(=O)NC2 1772713667 OHULGEKKLAHPIO-HHHXNRCGSA-N 715.804 2.872 0 50 KFAA COc1ccc2cc1OCCCCN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCc1c([nH]c3ccccc13)C2 1857698654 BUOZMZDREQPXLZ-UHFFFAOYSA-N 552.653 2.571 0 50 KFAA O=C1NCCCN(C(=O)CCCOc2ccccc2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875242434 SWBRRYORPIXXCP-SGOMLOLCSA-N 516.642 2.921 0 50 KFAA COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)N2CCCCC2)cc1OC 2050025135 VLSCXNSHXRBQJF-QHCPKHFHSA-N 517.648 2.682 0 50 KFAA Cc1cc(CC(=O)N2CCCOc3cccc4c3OC[C@@]3(CNC(=O)CCC2)CN(C(=O)Cn2nc(C)cc2C)C[C@@H]43)on1 2100532911 KRMAWIPPGAAMNS-XYFQYJLHSA-N 604.708 2.551 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CN(C(=O)COc1ccc(-n3cnnn3)cc1)CC(=O)N[C@H]2C(C)C 2356134716 YVZRCDKRBMAQGA-KVXPRDAPSA-N 726.820 2.982 0 50 KFAA CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 2855094 GKHJHTLNBKDDRV-UHFFFAOYSA-N 504.030 2.784 0 50 KFAA CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@H]2[C@@H](C)[C@H](O[C@H]3C[C@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253487664 NSYZCCDSJNWWJL-HLIJOILQSA-N 862.064 2.680 0 50 KFAA biogenic O=C1CCCN(C(=O)c2cc(-c3ccccc3)no2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740922 SXUGJDIXTDHAGQ-NDEPHWFRSA-N 609.687 2.658 0 50 KFAA COc1cccc(CN2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)c1OCCN1CCOCC1 1875239894 RGKOVLUKGKSJJZ-SANMLTNESA-N 552.716 2.798 0 50 KFAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CCC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 1875322319 PFBYUQIYQHJAIC-RTYCURFASA-N 515.364 2.715 0 50 KFAA O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 60292598 MPYUTOYNCCRZAC-VNSJUHMKSA-N 556.527 2.742 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(C/C=C/c3ccc(OC)cc3)C2)nn1 101734527 RITTVDPWQSWMHU-AHWJYIQQSA-N 548.619 2.890 0 50 KFAA CCc1nccc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)n1 952863110 FNVTYRCEPJSFBF-SVBPBHIXSA-N 589.693 2.954 0 50 KFAA Cc1ccc(CC(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)cc1 1704316449 PTGUROLDXXJGMT-XBZWSRNISA-N 770.957 2.984 0 50 KFAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)C[C@H](C)c2ccccc2)C[C@@H](c2ccccc2)NC1=O 1704318000 MGKKLYWFJIBUAW-WMLZKNDNSA-N 692.817 2.555 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)CCC(=O)N(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857705136 UOICFIAXDGIABM-UAYXYYHVSA-N 730.911 2.647 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cnc5cccnn45)C3)CN1C(=O)CC2 2356136897 ANUJYGFFMLFGQE-CAOCKLPOSA-N 588.709 2.901 0 50 KFAA Cc1nc(CC(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@]3(CCCc4ccccc43)C(=O)NCC2)cs1 2356139190 DYMFWEGFFGJLDG-PMERELPUSA-N 567.756 2.955 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](C)C(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253395381 AKOQTGLOMJYCQQ-YWZLYKJASA-N 541.601 2.644 0 50 KFAA biogenic COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccccc2)cc1 253498815 PGJCOEJMNUARCI-MNUOIFNESA-N 516.550 2.585 0 50 KFAA CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@@H](C)C=CC(=O)NCC=C1 254112282 DAIKHDNSXMZDCU-CUVVAGTFSA-N 525.602 2.659 0 50 KFAA biogenic CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cc2ccc3c(c2)OCO3)CCNC(=O)COc2cc(ccc2OC)C1 1775977546 JUQLVNGVCKPOQF-UUWRZZSWSA-N 637.730 2.792 0 50 KFAA O=C1[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(CCOCc5ccccc5)C(=O)[C@H]43)[C@H]2C(=O)N1CCOCc1ccccc1 245226144 JCNCGBKWUNBWRO-NDXTYXTFSA-N 540.616 2.684 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccccc2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704316880 AYLZGJSEXDIUFC-QZFRTWIZSA-N 742.903 2.746 0 50 KFAA Cc1ccc(-c2n[nH]cc2CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1 1704322559 LTCASFJYMWAIKT-NBMIEWQZSA-N 755.946 2.980 0 50 KFAA COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)c2c1CCCC2 2100532933 MTRUITRSADBUER-VTUXGGFFSA-N 636.815 2.828 0 50 KFAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497362 ARWVTIKJEMLWAI-FEBBAWHISA-N 583.546 2.625 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ccccc2-c2cccc(C)c2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704335199 AYYFULZSJNSRLK-IPPWDCLOSA-N 752.913 2.539 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(=N)[nH]c2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857713074 CSCAINSLRWSGLD-MHZLTWQESA-N 582.665 2.531 0 50 KFAA CC(=O)c1c(C)nn(CCC(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)c1C 2100534012 PLWDISAVAOAEEI-HHHXNRCGSA-N 605.740 2.915 0 50 KFAA COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Br)cc1OC 1127188 KVTZNYSCLOKJRZ-UHFFFAOYSA-N 528.407 2.916 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 103651799 ABCCPEXHAJFNOT-SDHOMARFSA-N 544.693 2.568 0 50 KFAA C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 249695824 ROBCLKBCTUIYKF-NUDCOPPTSA-N 559.623 2.879 0 50 KFAA biogenic CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2cccnc2OCC)CCCNC(=O)COc2ccc(cc2)C1 1857695344 FQDOOJOUMLNEOY-YTTGMZPUSA-N 612.724 2.546 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)COc1ccc(-n3cnnn3)cc1)CCCCNC2=O 1857704377 PGXFFYRBLVAWRP-UUWRZZSWSA-N 714.780 2.660 0 50 KFAA COc1cc(OC)c(C2=NO[C@H](C(=O)Nc3cc(C)n(CC(=O)NCc4ccco4)n3)C2)cc1Cl 16424894 DASILCIPYOTHBM-FQEVSTJZSA-N 501.927 2.903 0 50 KFAA COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 100053260 SHSWKRFHEJOKLK-KEPFWLIPSA-N 503.507 2.939 0 50 KFAA CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245225649 AUZCUOOUVRHFOF-JAZQRGJZSA-N 559.412 2.759 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(Cc3ccc4cc(NC(C)=O)ccc4n3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322109 FWECLLUMLGTYHW-CHJDUVSTSA-N 602.736 2.878 0 50 KFAA Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3ccccc3C(F)(F)F)CN2C1=O 1857697517 XEEAUVSIFSJRKD-DNZIZEQUSA-N 738.160 2.509 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(OC)nc2)CCNC(=O)COc2cc(ccc2OC)C1 1857703042 GCTLNVXWXJJTOB-JGCGQSQUSA-N 610.708 2.538 0 50 KFAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3cncc(Cl)c3)CN2C(=O)[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)CCCCN1 1857706138 BDZYQGHBYXNPRI-SPQIZYAFSA-N 717.223 2.791 0 50 KFAA COCC1(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)CCC1 952861914 DBFYFMYBPRVVFD-UIOOFZCWSA-N 595.693 2.745 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(OC(F)F)cc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704330815 GRTOSAYFJVLNGK-LEEWXGEHSA-N 755.845 2.523 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3c(C)nn4ncccc34)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772700289 BBRQNJQTMODMLR-LPIXWXTCSA-N 780.927 2.782 0 50 KFAA COc1cc2ccc1OCCCN(C(=O)[C@@H]1COC(=O)N1)CCCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCc1nc-2oc1C 1775984106 HSOQGAHINCJVLM-BDYUSTAISA-N 658.712 2.983 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCNC(=O)COc2cccc(c2)C1 1857702006 VWIPBNYJTGTGGY-WJOKGBTCSA-N 596.656 2.593 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CC(C)C)CC1=O 2356133904 LCUKFNLYPDAJQI-LJAQVGFWSA-N 512.695 2.994 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 100967591 MPYUTOYNCCRZAC-GKXKVECMSA-N 556.527 2.742 0 50 KFAA Cc1cc(C)cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 952861637 DAYLVGIONAQQDP-SANMLTNESA-N 528.657 2.607 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](C(C)C)CNCC(=O)N[C@@H](CC(C)C)c1nc(cs1)C(=O)N[C@H]2Cc1ccccc1 1704319284 VBTPQJHIVCGOTM-RJGXRXQPSA-N 580.759 2.704 0 50 KFAA O=C1NCCCN(C(=O)c2cn3cc(Cl)ccc3n2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875242214 NDTOFNKUJMAYRY-BDHWGLMFSA-N 533.032 2.676 0 50 KFAA COc1ccc([C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1Br 2325860514 KMIUWESGFWCTLC-NHYWBVRUSA-N 522.425 2.566 0 50 KFAA [N-]=[N+]=N[C@]1(CI)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 137070513 TYFCRBNYVYTFCX-ISJRUSPKSA-N 603.329 2.958 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C2CCN(C)CC2)CCCCNC(=O)[C@@H](C)NC1=O 1704322172 JSKOEXWUFSAIER-WHODAWOQSA-N 660.860 2.644 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc(F)cc2F)CCNC(=O)COc2cc(ccc2OC)C1 1857703865 ZYFQTRQOHGIBDS-WJOKGBTCSA-N 651.729 2.961 0 50 KFAA CCc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cs1 952862401 MHYDFBIHOGWDMU-DEOSSOPVSA-N 534.686 2.615 0 50 KFAA NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 2325842932 NCJAELRZZDHLAS-ORAYPTAESA-N 525.414 2.623 0 50 KFAA Cc1ccc(S(=O)(=O)NC(=O)NCCCCCCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 19898881 NPPPLMSXWLQNLW-UHFFFAOYSA-N 510.638 2.540 0 50 KFAA CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21 245235082 HNCICGFNJFYBRP-XPVYSAHSSA-N 516.642 2.916 0 50 KFAA CC(C)C[C@@H]1NC(=O)CCCN(C(=O)CN2C(=O)CNC2=O)CCCNC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775981861 XKJWGRHFSUYRHT-GOTSBHOMSA-N 708.867 2.811 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccccc2)CCCNC(=O)COc2ccc(cc2)C1 1775983059 XHTSSATYAOZESW-HKBQPEDESA-N 567.683 2.753 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2ccncc2)CCNC(=O)COc2cc(ccc2OC)C1 1857704855 IKUUZZKSLOAIAK-WJOKGBTCSA-N 566.699 2.890 0 50 KFAA CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H](OC(=O)[C@](C)(OC(C)=O)[C@H](C)OC(C)=O)CC[C@@]3(C)[C@H]5C[C@@H](OC(C)=O)[C@@H]4[C@@]21O 253487101 DWJHOAWDSIQEDR-VTRXCEJNSA-N 878.022 2.749 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1ccccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952858162 VSTKFQLAXAYBML-LJAQVGFWSA-N 625.730 2.626 0 50 KFAA CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)cs1 952863522 PUNBBPCJGSWOPB-UIOOFZCWSA-N 596.731 2.953 0 50 KFAA CSCc1ccc(C(=O)N2CCCNC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C)NC(=O)CCC2)o1 1704323507 UNXADZACOFGUJQ-FDDCHVKYSA-N 553.685 2.598 0 50 KFAA COc1nc2c(cc1C(=O)N1CCCNC(=O)c3nn(CCC(C)C)c4c3C[C@@H](CC4)NC(=O)CCC1)CCC2 2100533767 ZHJOBJFELAACPQ-OAQYLSRUSA-N 550.704 2.851 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(C(=O)c4ccc5c(c4)CCO5)CC(=O)N[C@H]3C2)nn1C 2100533789 FMZOHLYFPVHXFR-VPUSJEBWSA-N 557.651 2.703 0 50 KFAA COCC(=O)N1CC(=O)N[C@@H](C(C)C)c2nc(c(C)o2)C(=O)N[C@H](C)c2nc(cs2)C(=O)N[C@H](Cc2ccccc2)C1 2356137565 PUEOJLPZWKDALJ-PWAGRJGVSA-N 596.710 2.574 0 50 KFAA O=C1NCCCN(Cc2nn[nH]c2-c2ccccc2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356138060 GHVPGZFJJDXLGQ-MFYCAMOKSA-N 525.657 2.910 0 50 KFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)nc(OC)n1 1873878 DENJTFNVJDZZEA-UHFFFAOYSA-N 562.655 2.940 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc(N)nc2)CCCCNC(=O)[C@@H](C)NC1=O 1704307925 NITWZABKORGMGO-NRSKXHDUSA-N 655.800 2.593 0 50 KFAA COc1c(F)ccc(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)c1F 1772714092 ADKIEDRXALKSMF-IRPSRAIASA-N 653.731 2.857 0 50 KFAA Cc1cc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cc(O)n1 1772817077 GLPITYJYYIBFAV-LVXARBLLSA-N 631.715 2.953 0 50 KFAA O=C1C[C@H](N2CCN([C@@H]3CC(=O)N(c4cccc(Br)c4)C3=O)CC2)C(=O)N1c1cccc(Br)c1 100521757 CIIXJKDJAQBYCY-BGYRXZFFSA-N 590.272 2.793 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(Cc3cccc(F)c3F)CC2)C(=O)N[C@H]1Cc1ccccc1 952862226 NAJFFRAFRCGTAL-DEOSSOPVSA-N 522.600 2.629 0 50 KFAA COc1c(C)cc(C)cc1CN1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704321193 FZXILKURZGXMIK-DSAOOHFSSA-N 733.936 2.907 0 50 KFAA CCCC[C@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 4544485 UVBUBMSSQKOIBE-OHGFTANRSA-N 721.838 2.564 0 50 KFAA in-man COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426509 NQOPXAFKSVKFNL-IMFGXOCKSA-N 550.564 2.559 0 50 KFAA biogenic COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCn3nc(C)cc3C)C[C@@H]1OCc1cccc(c1)O2 952856894 SYWCZJGFZSXNCV-KYJUHHDHSA-N 634.734 2.936 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)CCc2nc3ccccc3s2)CCNC(=O)COc2cccc(c2)C1 1857698493 UUNKVRRCFORKEZ-JGCGQSQUSA-N 624.760 2.901 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCc1nc(-c3cccnc3)no1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292135 VCAPQDMQOAYGOD-RSEQZTCWSA-N 565.634 2.775 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1n[nH]c3c1CCC3)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100532962 OTQWPPGBOYZYOL-SANMLTNESA-N 611.703 2.539 0 50 KFAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 2325875621 YALOUCMMFOSAQA-PCCBWWKXSA-N 500.644 2.598 0 50 KFAA C[C@@H]1NC(=O)CN(C(=O)C2CCOCC2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356138386 LFKKODQVDKQYPE-NRFANRHFSA-N 560.655 2.590 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 4095814 GWNVDXQDILPJIG-NXOLIXFESA-N 625.785 2.777 0 50 KFAA endogenous,investigational COc1ccc2cc1OCCCN(C(=O)c1ccc3c(c1)CCO3)CC(=O)N[C@H]1CN(C(=O)Cc3cccnc3)C[C@H]21 2100533631 BMFBKFZXUDEOTB-FTJBHMTQSA-N 570.646 2.603 0 50 KFAA CCN1CCC[C@@H](n2cc(C3(F)CN(C(=O)[C@H](NC(=O)c4ccc(OC)cc4)c4ccccc4)C3)nn2)C1=O 2325869432 NJBXZSJRVJRMEX-ISKFKSNPSA-N 534.592 2.648 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccc[nH]2)CCCC1=O 2356134720 ZARODRMNXYRACR-LJAQVGFWSA-N 521.662 2.590 0 50 KFAA CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 169356230 NSYZCCDSJNWWJL-YXOIYICCSA-N 862.064 2.680 0 50 KFAA biogenic,in-man CC(=O)c1cc(CC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cs1 952865979 ZOAAYKLDLZBRQH-UNMCSNQZSA-N 544.033 2.747 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(Cc2nccn2C)CCNC(=O)COc2ccc(cc2OC)C1 1857713656 BFRVXPGMPJUYIB-HKBQPEDESA-N 585.746 2.864 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)CCc4nc5ccccc5[nH]4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533082 YWDBEFLDONUVAH-OKJQECNTSA-N 584.721 2.587 0 50 KFAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2sc(C(C)C)nc2C)CC(=O)N[C@H]1C 2356160434 RRVBSXYPWAUXNM-XKDCRVNJSA-N 574.700 2.919 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3ccc(-n4cccn4)cc3)C[C@@H]1NC2=O 2356161396 ULCSHRPSZMEHKK-OUTSHDOLSA-N 597.628 2.600 0 50 KFAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)ccc21 8603638 XNJXRJQCPMDVAJ-KRWDZBQOSA-N 519.023 2.534 0 50 KFAA COc1ccc([C@]2(O)CC[C@@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 100069762 NXZNYBUBXWWKCP-OTPAQWSUSA-N 520.552 2.860 0 50 KFAA COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225423319 LWHXLSFJIZDZSM-LZNRXBQRSA-N 506.555 2.830 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CNC)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952857274 LDVKYUIZWQXKNB-UIOOFZCWSA-N 538.645 2.564 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc3nccnc3c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713972 YZHWVKCIWWTMNX-KZFQQWRHSA-N 713.840 2.980 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cnnn1-c1ccccc1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775984276 MKLWPXQIBWGXES-NDEPHWFRSA-N 601.664 2.921 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)Cn1nc(C)c3ccccc3c1=O)CCNC2=O 1857726562 XGCCYUHWOCTYQK-HSZRJFAPSA-N 664.723 2.500 0 50 KFAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2cccc(Cn3nc(C)cc3C)c2)CC(=O)N[C@H]1C 2356160493 VDBQRLRSZRGEFQ-ODTCIBSJSA-N 619.719 2.892 0 50 KFAA O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(c4cccc(Br)c4)C3=O)CC2)C(=O)N1c1cccc(Br)c1 100521764 CIIXJKDJAQBYCY-WOJBJXKFSA-N 590.272 2.793 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc(C(F)(F)F)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713325 HCYPDAAOTDGNHH-VVZHRXSXSA-N 698.747 2.839 0 50 KFAA CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccc(OC)cc1 1775953477 GAZDXIGXYWVWQX-LLBDYQRKSA-N 643.774 2.715 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2ccc[nH]2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857705372 DWIVQSYPEZECMN-ITLLMBSPSA-N 708.788 2.633 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cccc5c4CCC5=O)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533367 LVLNEPUGXAMGIC-PEDAOZHASA-N 570.690 2.521 0 50 KFAA NC(=O)CN(c1ccccc1)[C@@H]1SC(=O)N(Cc2ccc(CN3C(=O)S[C@@H](N(CC(N)=O)c4ccccc4)C3=O)cc2)C1=O 150426042 NLMOFQKGRHIHFE-VSGBNLITSA-N 632.724 2.713 0 50 KFAA COCCNC(=O)CCCNc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 252519033 ATRDFZWUXCJSPA-OAQYLSRUSA-N 527.618 2.818 0 50 KFAA CCc1nc2ccccc2n1CCC(=O)N1CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)CCC1 1704321416 NPBVCSPNTCHZJR-WXVAWEFUSA-N 599.736 2.831 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cnc(C4CC4)nc3O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322050 FUKPOJLIGNTGER-YRVWTACLSA-N 852.006 2.637 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc(C(F)(F)F)nc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323866 IDIUQEVPHPSNJF-XMMPIXPASA-N 588.587 2.764 0 50 KFAA COc1ccnc(CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1OC 1772817787 RQKBNNMCXRVAJY-WNJJXGMVSA-N 588.661 2.958 0 50 KFAA COc1cc(CNC(=O)c2nnn(-c3cccc4c3CCN(S(C)(=O)=O)C4)c2C)ccc1OCc1cccnc1 1875351071 JSQNQMDNJARGPZ-UHFFFAOYSA-N 562.652 2.806 0 50 KFAA COc1cc2ccc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cc1noc3ccccc13)CCCNC2=O 2356160038 ABFVWYSVZQCXSG-LJAQVGFWSA-N 603.680 2.833 0 50 KFAA CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 2856080 VYNKTQAUHGEDIK-UHFFFAOYSA-N 515.613 2.785 0 50 KFAA O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1O 14555454 YEPZMZDCXFRHCL-ZYWWQZICSA-N 510.550 2.748 0 50 KFAA in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCN3CCOCC3)c(=O)cc1[C@H](NC(C)=O)CC2 252540055 ORTSQKLOQYRGEO-XMMPIXPASA-N 582.698 2.504 0 50 KFAA CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 253505849 NEBPBFLVSYFRQE-KSVSQBDASA-N 822.986 2.789 0 50 KFAA O=C(N[C@H]1CCCN(C(=O)[C@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)C1)c1ccc(Cl)cc1 2325843403 DRCAMEIUJDRSJJ-YJBOKZPZSA-N 516.929 2.810 0 50 KFAA 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 12381992 AKDLJBVWDAVNMJ-RJSQPESZSA-N 516.547 2.726 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253410945 NZEZCPRRUXXJRI-SOJACNMYSA-N 555.628 2.889 0 50 KFAA biogenic O=C(c1ccc(SCCO)cc1)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952862906 SDUQDDARDALBDF-UHFFFAOYSA-N 549.697 2.969 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)Cc1cccnc1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775978167 LWYOBRVROKJPRV-MHZLTWQESA-N 549.628 2.664 0 50 KFAA CCOC(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 8454147 XZSVQAFYKMVYBJ-XMMPIXPASA-N 557.650 2.566 0 50 KFAA Cc1cc2cc(C(=O)N3CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c4csc(n4)[C@H](Cc4ccccc4)NC(=O)C3)ccc2o1 1704317985 LXFPMZYVSCHFSK-AURLEMJNSA-N 743.887 2.976 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(CC(C)C)on3)C[C@@H]1NC2=O 1704321505 RBZRYHGLXGRXRL-OZXSUGGESA-N 548.596 2.592 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3cccc(S(C)(=O)=O)c3)C[C@H]2C(=O)N1 1704324780 TURQGBDWPSPYCG-OLMRMCJNSA-N 649.814 2.959 0 50 KFAA COc1ccc2cc1OCCCN(Cc1[nH]cnc1C)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775982352 KETCZLIXTNNVKU-VWLOTQADSA-N 524.622 2.732 0 50 KFAA CC(=O)c1c(C)nn(CCC(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c1C 1857705660 PORVSPFIKTWONX-QJCSISDESA-N 725.851 2.605 0 50 KFAA COc1c2c(c(CNC(=O)C[C@@H](c3ccc4c(c3)OCO4)c3c(O)nc4ccccn4c3=O)c3c1OCO3)CCN(C)C2 2049252037 AXLSRHUPTKOZDJ-IBGZPJMESA-N 586.601 2.692 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cccs1 16730779 MHEJBRMEOJVXDB-PRWBYUBPSA-N 500.598 2.504 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2C(=O)N1 1704324796 UTIUAKUHQRPXIY-CWEXKBDNSA-N 708.260 2.977 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@@H]2Oc2ccc(cc2)CN1 1772714446 QZRFQGXLKGMXOM-KYJUHHDHSA-N 608.655 2.767 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCNC(=O)COc2cc(ccc2OC)C1 1857702891 SRJHJUSKKJUKJC-UUWRZZSWSA-N 687.812 2.845 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cnc3c(c1)CCCC3)CCNC(=O)[C@H]1CN(C(=O)c3cc(C)on3)C[C@H]21 1875242306 ROIWYABQMJKDPM-RPWUZVMVSA-N 573.650 2.772 0 50 KFAA Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)c12 2325718943 DUPYOTJRSYZAAC-SFHVURJKSA-N 583.623 2.643 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cncc(F)c2)CCCC1=O 2356138798 QLMPMQNVOXECLO-PMERELPUSA-N 551.663 2.796 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCc2cn[nH]c2)CCCCNC(=O)[C@@H](C)NC1=O 1704307540 JNYYNMUOZLBZTQ-SDDUWZMOSA-N 657.816 2.658 0 50 KFAA Cc1c(-n2c(-c3ccc(Br)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(=O)n(-c2ccccc2)n1C 624196 MKPJLYBKIZFANQ-UHFFFAOYSA-N 560.412 2.903 0 50 KFAA biogenic CCOC(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c2ccccc21 248289399 JFSACOGEXOVPMC-AHQSTGFLSA-N 528.030 2.976 0 50 KFAA Cn1cncc1C(=O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952856135 MQUMYTRIGOBCMF-LBNVMWSVSA-N 509.570 2.866 0 50 KFAA CCCCc1nc(CN2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC2)c(Cl)[nH]1 1704318659 PEDQDKQXSSYVPE-ZXDNMGRFSA-N 630.234 2.881 0 50 KFAA CC(C)=CCN1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)C1 1704324032 LRTQIOUYYHPIFP-RVVSJWLRSA-N 706.914 2.872 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1sc(C)nc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772700261 BFDCCCJHDKCLOA-SQHAQQRYSA-N 622.796 2.643 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cn3ccsc3n2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981619 BHTRHIGXNSFXKM-DFBJGRDBSA-N 622.752 2.544 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(-n3cccn3)cc2)C1 14740796 VPPLEUOIFKCOPR-SANMLTNESA-N 533.629 2.619 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(NC(C)=O)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 14743801 GBCYJNFPXWWXRB-SANMLTNESA-N 510.635 2.752 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 19800470 JWUXXVDOKRZOOI-XOYGFPHKSA-N 524.595 2.833 0 50 KFAA O=S(=O)(N1CCCCC1)N1CCN(C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 20511974 CTAAADFWKIBZAK-NRFANRHFSA-N 512.470 2.690 0 50 KFAA CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)C[C@H](C)N5C(C)=O)CC3)CC2)cc1 38139311 FHKPRWLPNNWZSL-FQEVSTJZSA-N 552.697 2.936 0 50 KFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N(C)C[C@H]3CCCN4CCCC[C@H]34)C2=O)cc1OC 409414859 PVBCZTCFSFRZCF-YPAWHYETSA-N 500.640 2.670 0 50 KFAA COc1cc(CN2CCCCNC(=O)[C@@H]3C[C@@H](CN3C(=O)c3nn(C)c(=O)c4ccccc34)N(C(=O)CC(C)C)CCC2)cc2c1OCO2 1704340257 ROWJKGCYNDECRY-LSYYVWMOSA-N 674.799 2.931 0 50 KFAA CN1CCN(C(=O)c2ccc(N3CCC[C@H](c4ncc(Br)cn4)C3)nc2)C[C@@]12CCOC2 1875360526 CRHJZBVEPYMKBT-FDDCHVKYSA-N 501.429 2.565 0 50 KFAA CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1 3830276 MAFMQEKGGFWBAB-UHFFFAOYSA-N 603.750 2.835 0 50 KFAA biogenic,fda 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 12381994 AKDLJBVWDAVNMJ-HPBYZVIZSA-N 516.547 2.726 0 50 KFAA biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 19911431 SNXDCLCESYASEZ-XPCGLTFESA-N 520.563 2.649 0 50 KFAA CCOCCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704322183 JZQNNQHLZCLEBA-TZFWCWEWSA-N 635.806 2.729 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801053 IKJNNQJEFRCUHB-YJWDFKAOSA-N 568.531 2.922 0 50 KFAA COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1OC 253412091 PVBCZTCFSFRZCF-FDFHNCONSA-N 500.640 2.670 0 50 KFAA biogenic CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)[C@@H]1OC(C)=O 257346857 BTRWTSHCXGFFFL-NJMZJGDJSA-N 590.710 2.812 0 50 KFAA CC(=O)c1c(C)nn(CCC(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)C3(CC3)NC(=O)[C@@H](C)NC2=O)c1C 1772713267 IHONXVWJBYQGES-URFQBADOSA-N 755.917 2.624 0 50 KFAA CC(=O)OC1=C(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C(CO)=C[C@H](O)[C@H]2C[C@@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C 1772820328 HTILKAOQIFDEET-JKQKKWHPSA-N 594.654 2.596 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN(Cc3ccccc3)CC2)o1 1776111817 RMFMWNQEOLUTRC-UHFFFAOYSA-N 539.654 2.584 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccn(C)c(=O)c1)CCCCNC2=O 1857702311 IDKHORYBXXUFJA-WJOKGBTCSA-N 647.729 2.618 0 50 KFAA Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(Br)cc3CO)c(Br)cc21 2325825204 INCBKDIRGUTYBG-UHFFFAOYSA-N 505.188 2.695 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 1206020 ONFQEAVTZHNONG-DPWKNNTCSA-N 515.385 2.885 0 50 KFAA COc1cc([C@@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n32)ccc1OC(C)=O 2671886 FTYNRHXAYASYKT-ZCCPQQFYSA-N 575.643 2.715 0 50 KFAA CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(N)=O)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 2959913 BNWDNOUHBYPFIE-NOZLNSQSSA-N 599.665 2.817 0 50 KFAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2OC(C)(C)O[C@@H]21 261361467 HAVVIXOQRJHQMM-OYUZRVEBSA-N 507.544 2.913 0 50 KFAA O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952857886 RTXBUNUWFRDHEI-UHFFFAOYSA-N 517.586 2.613 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(N3CCCCC3)cc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704323441 WKIIJLMNXKKIKX-GJZSCTEUSA-N 772.973 2.912 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)CC(C)C)CCCNC1=O 1704332549 RUEWDGCCYSFOLX-DEOSSOPVSA-N 544.722 2.802 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(Cc1cc(F)ccc1-n1nc(C)cc1C)CCCNC2=O 1857698993 DHCDLWPTFLUKNQ-UHFFFAOYSA-N 509.582 2.768 0 50 KFAA COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C[C@]5(C)[C@H](CC[C@]5(O)[C@H](COC(C)=O)OC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257348991 KQDOGCHGRZLHOM-FTOUGIIRSA-N 766.834 2.512 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952869126 IMDUAUSWPDLDLP-DNMDQSTESA-N 754.929 2.598 0 50 KFAA CCc1ccc(CN2CCOc3cc(ccc3OC)-c3nccn3CCNC(=O)[C@@H](C(C)C)NC(=O)C2)nc1 1704307042 RJRVSAFIXLOJEA-HHHXNRCGSA-N 534.661 2.668 0 50 KFAA COc1cc(Cl)cc2cc(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)Cn4nc(-c5ccccc5)nc4[C@H](C)NC(=O)[C@H](CO)NC3=O)oc12 1857698791 IJKJAQKOOZXUNC-RZDWPUGNSA-N 730.178 2.558 0 50 KFAA COc1cc2ccc1OCC(=O)NCCN(C(=O)c1cnc3ccccn3c1=O)CCCC(=O)NC[C@@](CCC(C)C)(C(=O)NC1CCOCC1)C2 1875241997 IPIWLUDRBXOEEZ-LHEWISCISA-N 718.852 2.511 0 50 KFAA Cc1ccc(OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c(-n2nc3ccccc3n2)c1 986232 CGECLSHKPONOLA-NRFANRHFSA-N 518.551 2.734 0 50 KFAA COc1ccc(CCN2C(=O)[C@]3(Cc4c(nc5ccccn5c4=O)N4CCCCC[C@H]43)C(=O)N=C2O)cc1OC 230005800 YCKBZAOVMBGQBD-ZTOMLWHTSA-N 545.596 2.529 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C3CCN(C(C)=O)CC3)C[C@@H]1NC(=O)CN(C)C2 952864454 HWRWISOPLMHGBK-LSYYVWMOSA-N 522.646 2.629 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)Cn1c(=O)oc3ccccc31)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704336410 NJUABDJQTGYDPH-AOHZBQACSA-N 548.640 2.946 0 50 KFAA COc1cc(F)c(C(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)c(F)c1 1875241128 OQRHWJNBXKVMBF-AZVSZNIFSA-N 524.568 2.662 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1csc3ccccc13)CCCNC(=O)[C@H]1CN(C(=O)CN3CCOC3=O)C[C@H]21 1940197552 YSEDBSCKYQEPOS-PKTZIBPZSA-N 606.701 2.945 0 50 KFAA O=C(NCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(=O)Nc1ccc(Cl)cc1 19537302 DHBWCFUHMYTHCX-UHFFFAOYSA-N 501.008 2.554 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3nc(C)c(C)c3C)C[C@@H]1OCc1cccc(c1)O2 952868219 FWFZOHBPXDBOQL-KYJUHHDHSA-N 634.734 2.855 0 50 KFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704318798 RUSGKGFJMRRSDO-MUPRBJASSA-N 797.983 2.653 0 50 KFAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(C(=O)O)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713150 AHZXBNIHROEFLO-BDYUSTAISA-N 589.649 2.510 0 50 KFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=O)N1 1123581 JWUHGQFXTAAFRU-QGZVFWFLSA-N 531.347 2.525 0 50 KFAA CCC[C@H](C)C[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 150662158 GPIYLYZFGAXYSU-YVQFNYGNSA-N 721.838 2.564 0 50 KFAA in-vitro COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@]5(O)C(=O)COC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257350172 VHUKGPDDOKOJMT-PHHXIYSASA-N 708.798 2.971 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc4c(c3)OCCO4)C2)nn1 299784719 HYLCAVTVODBEKE-FPOVZHCZSA-N 545.518 2.987 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3nnc4n3CCCCC4)C[C@@H]1NC(=O)CN(C)C2 952857066 WLIQBMSHCROABP-OZXSUGGESA-N 560.655 2.777 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C3CCN(C(C)=O)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952865818 TXSJEPLVAVTUEO-IZEXYCQBSA-N 608.736 2.605 0 50 KFAA Cc1sc(-n2cnnn2)c(C(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]3(CCCc4ccccc43)C(=O)NCC2)c1C 2356135201 SYFSOKMJZUFUBQ-JGCGQSQUSA-N 634.807 2.916 0 50 KFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@@H]1O)C3(C)C)[C@@H](O)C2 215853502 KVVHJCZXSZVOLS-ZCZPYUFISA-N 546.796 2.511 0 50 KFAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@@H]2C(=O)c1ccc(OC)cc1 253387961 YRECILNLFWZVRM-NVDPGQLUSA-N 627.775 2.989 0 50 KFAA biogenic C[C@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@H]3[C@H]1[C@@H]1CC[C@@H]5O[C@@H](N6C(=O)CCC6=O)[C@@]4(C)[C@H]3[C@H]51)O[C@@H]2N1C(=O)CCC1=O 253596819 WHKWKQIREHTRPI-KGLGQQMNSA-N 520.626 2.551 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCc1c(C)nc3ncnn3c1C)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775979223 HABMWEXYODGSEH-LJAQVGFWSA-N 632.722 2.714 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3cc4c(cc3OC)OCCCO4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704337503 UHLOHFHZRRSXAH-QVDUQQMDSA-N 695.858 2.585 0 50 KFAA CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1 1772713413 KYDFXVLBKBQEPY-CONSDPRKSA-N 662.765 2.874 0 50 KFAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCCN(C(=O)[C@@H]2CCOC2)CCOc2cccc(c2)-c2nccn2CCC1 2356140200 YKOWUEGYBXONOW-AREMUKBSSA-N 614.707 2.861 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCN2CCCCC2=O)CCCCNC(=O)[C@@H](C)NC1=O 1704321734 XNYFHCVKLAUMJU-RKVVATLDSA-N 688.870 2.705 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCc1cc(O)no1)CCCCNC2=O 1857699121 OUEQOBCNGKKISS-WJOKGBTCSA-N 651.717 2.932 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)c1cc(=N)[nH][nH]1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857699529 ROHAGZKGQWRXNM-OUTSHDOLSA-N 754.845 2.536 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)CCCCNC2=O 1857706871 UPQLFEWBTDEBRJ-MGBGTMOVSA-N 774.919 2.686 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(CCCc2ccccc2)CCNC(=O)COc2cccc(c2)C1 1857709732 OFMCOMHGSFBZPF-HKBQPEDESA-N 553.700 2.765 0 50 KFAA COc1ccc(N2CC=CCOC[C@@]3(CCNC3)C(=O)N3CC[C@@](C)(C3)NC(=O)c3cc(ccc3Cl)S2(=O)=O)cc1 1875369637 ABJMOQHVPWQRJU-VMPREFPWSA-N 603.141 2.831 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N[C@@]4(Cc5ccc(C(F)(F)F)cc5)CCOC4)ccc3C2=O)C(=O)N1 2325899164 RJPOTQWPQTYBCA-NBGIEHNGSA-N 530.503 2.990 0 50 KFAA CCC(CC)CN1C[C@@H](n2nnc(C(=O)OC)c2C(=O)OC)C[C@H]1C(=O)NCc1ccc2ccccc2n1 11787905 FVPWPAPCJXWKDB-UNMCSNQZSA-N 522.606 2.768 0 50 KFAA O=C1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14536429 AGTLOZUADXJHKD-AREMUKBSSA-N 514.561 2.914 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cccs1 16730444 LXJVGHFNFLNFGP-LVSKKATPSA-N 500.598 2.504 0 50 KFAA COc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O 143916250 SHULCCQTYFCRIY-DLGLWYJGSA-N 586.553 2.751 0 50 KFAA COCCC[C@]1(C(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857696784 COZVQGFUGOVQFL-DIPNUNPCSA-N 682.778 2.814 0 50 KFAA COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4c(C)nn(C)c4C)c(=O)n32)ccc1O 2785486 WVPGHIKBLSGEBQ-AQIZGWBQSA-N 529.622 2.938 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 100805546 ZUDAFFYMDWQVBX-YXDQGSNCSA-N 552.605 2.749 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccccc2F)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704316661 ZDCCPISFXPGMRL-KEPSJGTLSA-N 760.893 2.886 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1cc(C)nc3onc(C)c13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321074 ABJFCCOUWOXKRY-FHFPRHJOSA-N 755.873 2.853 0 50 KFAA COc1nc2c(cc1C(=O)N1CCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c3cc(on3)C1)CCC2 1772714340 MIPBHOBSRMNAOA-KDYSTLNUSA-N 683.770 2.620 0 50 KFAA C[C@H](c1ccc(C(F)(F)F)cc1F)N(C)C(=O)CNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325898584 MJVXDPRKPCMVGV-XIKOKIGWSA-N 534.466 2.877 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 631661 VBLLVOGFTHHTCY-YOURIZNBSA-N 508.552 2.544 0 50 KFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c2ccccc2)cc1OC 1128741 ZMDUIFFFIKHPFR-UHFFFAOYSA-N 533.628 2.934 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100598968 KCIQYHXHHXMOOM-AQIZGWBQSA-N 550.589 2.658 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1 102304786 LELQLBCFQCBZKB-YLVTVWEBSA-N 540.981 2.912 0 50 KFAA CCn1ncnc1CN1CCC2(CC1)Cc1cccc(c1)Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCNC2=O 952858609 FGWQHWUTHZDIAI-VWLOTQADSA-N 560.655 2.547 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccnn2C(C)C)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704323024 NSTTWPAXOJZSLY-RVVSJWLRSA-N 774.949 2.524 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc4nc[nH]c4c3)C[C@@H]1NC(=O)CC2 1772713071 BOTMKIVADRVRFA-LSYYVWMOSA-N 569.618 2.601 0 50 KFAA CCOC(=O)N[C@H](C(=O)c1ccc(C)cc1)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1857800616 KLXHGCOWLGXDGD-YKSBVNFPSA-N 504.605 2.956 0 50 KFAA Cn1ccnc1[C@](O)(CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F 2325873940 ZQPACDBGRWZSPO-IFXJQAMLSA-N 522.311 2.888 0 50 KFAA CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccc(NC(=O)[C@H]3Cc4ccccc4O3)c1)CC2 2325875709 ZZLDHTGRSJARNF-IQGLISFBSA-N 501.587 2.956 0 50 KFAA COCC1(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)CC1 1772816813 CADNWTYPAZGXBP-RDPSFJRHSA-N 608.721 2.657 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ncoc1C)CCCNC(=O)[C@H]1CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]21 1875240484 UZDMUYHQBOXWMU-RPWUZVMVSA-N 574.634 2.823 0 50 KFAA CC(C)[C@H](C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1)n1nnc(-c2ccccc2)n1 1875351904 NBWBGRUBECFVFC-LJQANCHMSA-N 508.384 2.996 0 50 KFAA C[C@@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 1875352515 JZAXRRVTQJTRFL-IZZGNVEXSA-N 592.722 2.721 0 50 KFAA Cc1cc(C(=O)N2CCCOc3cccc4c3OC[C@@]3(CNC(=O)C2)CN(C(=O)c2cnc5ccccc5n2)C[C@@H]43)no1 1940197206 YRUJQFJKSSJBCI-JCOAXYOVSA-N 582.617 2.586 0 50 KFAA C[C@H]1CC(=O)Nc2cc(S(=O)(=O)N3CCN(Cc4nc(O)c5sccc5n4)CC3)ccc2S1 2325875939 GNAQFDCMRPJREN-ZDUSSCGKSA-N 505.647 2.726 0 50 KFAA COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1I 59617231 MNTDWECNFQLLDV-UHFFFAOYSA-N 522.386 2.885 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 409413051 ANGYCMDHRHEFRS-QPTUXGOLSA-N 500.640 2.635 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952863341 VKGICNMLCWKQBT-NUXXNWGHSA-N 726.875 2.549 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cnc(C)c(C)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952864159 LTEDNNKBXPAWBD-NUXXNWGHSA-N 726.875 2.549 0 50 KFAA CCOc1cc([C@H](CC(=O)OC)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)ccc1O 225424743 VPBGRIXXHPNSHG-LMNJBCLMSA-N 536.581 2.926 0 50 KFAA biogenic Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O 952858971 KSPNQIMQQIGJLG-CLJLJLNGSA-N 557.655 2.649 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(Cc1cnn(C)c1)CCNC(=O)CC2 1875241618 CNOOOVUCBCBXIY-VWLOTQADSA-N 547.656 2.999 0 50 KFAA CCOc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 654082 RDHVUILTSPKYAV-QHCPKHFHSA-N 529.640 2.788 0 50 KFAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc34)C2)c1 14540183 LWIWMBYRBCWRTE-SIKLNZKXSA-N 506.603 2.947 0 50 KFAA CC(C)=CC/C=C(\C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 263617359 NJUXRKMKOFXMRX-LYDCJCJQSA-N 767.010 2.954 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(Cc2c(Cl)cncc2Cl)CCCNC1=O 1704323862 HYCHIRQDEQOPGU-ZBKJKTKLSA-N 619.594 2.864 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713568 MFXUBCKXZOTTSG-KYJUHHDHSA-N 633.723 2.736 0 50 KFAA CC(C)CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@H](C)C(=O)N1C2 2100533574 VKEDYHRVWYNBLN-DLCDSXJVSA-N 510.679 2.514 0 50 KFAA COc1ccccc1CN[C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@@H](NCc4ccccc4OC)C3=O)cc2)C1=O 100753507 BXBRBVVXOLLZSF-DNQXCXABSA-N 542.592 2.547 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)CO)CC1)C(=O)NC2 1772704375 IKSQCBICBKUORC-UHFFFAOYSA-N 605.644 2.667 0 50 KFAA CC(C)OCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772818386 RRCAIWRCSDSWMH-CPJSRVTESA-N 596.710 2.655 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cc3ccccc3n(C)c2=O)CCNC(=O)COc2cc(ccc2OC)C1 1857705567 MTTWAACQNWNMNO-PSXMRANNSA-N 660.768 2.987 0 50 KFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc(n2)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1857740217 DUQYJTGSEGAWPG-XTEPFMGCSA-N 696.769 2.667 0 50 KFAA O=C1NCCCN(C(=O)C2CCOCC2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3cc(F)ccc3F)C[C@H]12 1875242640 WECLYAZVEXZYCW-RPBOFIJWSA-N 541.595 2.975 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@H]2CCCN2)CCCNC(=O)c2csc1n2 2084381582 GPLDINAUBACRBN-OTPAQWSUSA-N 623.805 2.841 0 50 KFAA CCOC(=O)N1CCN(Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2)CC1 19743967 MIISADOZHIEROF-HSZRJFAPSA-N 533.629 2.900 0 50 KFAA COc1ccccc1-c1cc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)n[nH]1 952861952 GYVYSLMANHXKFP-AREMUKBSSA-N 632.697 2.854 0 50 KFAA O=C1N[C@H]2CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952862988 ORNFQJQAILPLBE-OFVILXPXSA-N 554.003 2.602 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cc3c(cc1C)OCCO3)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772704082 OVFAJPYUSDMICV-ZUKKLESISA-N 659.788 2.649 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCC(F)(F)F)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775978381 RANXWXUNWQNMHH-UUOWRZLLSA-N 596.651 2.864 0 50 KFAA CCc1noc(C)c1C(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 2100533219 GJFGYMGJMDNFRA-XMMPIXPASA-N 550.660 2.981 0 50 KFAA O=C(NCc1cn(Cc2nn3c(c2C(=O)N2CCN(c4ncnc5c4nnn5Cc4ccccc4)CC2)CCC3)nn1)Nc1ccccc1Cl 2325830897 UBGRGFGTQDYVTF-UHFFFAOYSA-N 693.176 2.990 0 50 KFAA COc1ccc(/C=C/C(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)cc1 12167853 BLJAERYQAZPFJX-UJZCAVEWSA-N 506.647 2.642 0 50 KFAA NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 95553608 DKULOVKANLVDEA-UHFFFAOYSA-N 546.201 2.532 0 50 KFAA in-vitro COc1ccc2cc1OCCN(C(=O)C1CCCCC1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704327250 APPFOAXJPWAXSY-RUZDIDTESA-N 525.650 2.617 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)NCc3cccc(C)c3)C[C@@H]1NC2=O 2356162755 QYWLODQVWPGQMI-FIPFOOKPSA-N 574.634 2.792 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 2058931 MRZDUUHSMSJREB-RKKARLDVSA-N 503.580 2.544 0 50 KFAA COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2C[C@H]2CCCO2)sc(C(N)=O)c1C 20295056 XZMRCVZKMVTPOG-GFCCVEGCSA-N 505.578 2.703 0 50 KFAA COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1Cl 59608616 XVHHYHCTFWBJRH-UHFFFAOYSA-N 536.050 2.822 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)Cc1cc(F)cc(F)c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714255 HRJYNQVFHZXKBE-JOMNFKBKSA-N 637.732 2.777 0 50 KFAA CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C(=O)N2CCC[C@H]2CSc2ccc(Br)cc2)C1=O 1875351010 IEILYYFYAGOHFA-SFHVURJKSA-N 588.484 2.664 0 50 KFAA O=C1NCCCN(C(=O)c2ncc(F)cc2F)CCOc2cccc(c2)[C@H]2CN(C(=O)Cc3cccnc3)C[C@H]12 1940194817 URSDAHKDPIAGIQ-RPWUZVMVSA-N 549.578 2.581 0 50 KFAA CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1 9846024 YDSSWVBUJYXYDZ-UHFFFAOYSA-N 524.437 2.941 0 50 KFAA CCOC(=O)CN1C(=O)[C@]2(N[C@H](Cc3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c2ccccc21 245256770 SIHWJLLANVMQEL-XPVYSAHSSA-N 509.562 2.812 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@]23C)O1 256080200 PSOUXXNNRFNUAY-SABLGHANSA-N 654.882 2.507 0 50 KFAA CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2cc3c(cc21)OCCO3 334160552 HFJBJRCXRNPLBO-SANMLTNESA-N 519.598 2.971 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952864618 KBZPGGMTAKWRFQ-VMPREFPWSA-N 594.709 2.676 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)c3cnn(Cc4ccccc4)c3)C[C@H]2C(=O)N1 1704332150 QAKQJMVSZNPCQZ-QAVYZMLQSA-N 713.880 2.921 0 50 KFAA CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)COC(=O)CC(C)C 1772820295 ZWCCPUWSKJGJNH-WBNJRACBSA-N 642.739 2.976 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801092 QLPBVUOEXHYSIY-RWDMXNMGSA-N 589.575 2.687 0 50 KFAA CC[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(S(=O)(=O)NC(=O)CSCc2cscn2)CC1 1875342498 USBBAGUSAMSBSZ-OAQYLSRUSA-N 522.718 2.813 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)c1ccc3c(c1)CCO3)CCCNC2=O 2100533569 VCXDFOCOWNPVHI-QFIPXVFZSA-N 521.662 2.894 0 50 KFAA CC(C)NC(=O)c1ccnc(N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)c1 952863852 DGDWRYLHFGJVNC-UHFFFAOYSA-N 531.661 2.782 0 50 KFAA COCC[C@]1(C(=O)NC2CCOCC2)CNC(=O)CCCN(Cc2cccc(C)n2)CCCNC(=O)COc2ccc(cc2)C1 1857707121 FRRWZEAEWSZPCO-UUWRZZSWSA-N 623.795 2.548 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)NC4(c5ccc(OC(F)F)cc5)CCOCC4)ccc3C2=O)C(=O)N1 2325899161 RHCQXHTXNHSQTJ-HXUWFJFHSA-N 528.512 2.876 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cnc(N5CCN(C)CC5)nc4C)C3)CN1C(=O)CC2 2356137773 YYBQVVYJJZDMMG-ZFOGOZASSA-N 661.848 2.709 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)Cn2c(=O)oc3ccccc32)CCCC1=O 2356138170 GVHBXYYCVDMJKV-XIFFEERXSA-N 603.720 2.556 0 50 KFAA C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 4102194 MINDHVHHQZYEEK-HBBNESRFSA-N 500.629 2.593 0 50 KFAA biogenic,fda Cc1cc(=O)oc2cc(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)O)ccc12 5273753 RIYLNECMTVNMSO-DHIUTWEWSA-N 551.596 2.869 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)CCNC(=O)COc2ccc(cc2OC)C1 1800430297 HTPHCOCEFWWONG-DHUJRADRSA-N 718.870 2.688 0 50 KFAA Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(CC3CC3)nc2[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1857689079 WXAWXARGYRMQCC-UDGGBSJISA-N 773.961 2.988 0 50 KFAA CCCN=c1ncc(CN2C[C@@H]3c4ccc(OC)c(c4)OCCN(C(=O)Cc4cccc(F)c4)CCNC(=O)[C@H]3C2)c[nH]1 1875241931 HOSHIYUCGJPPFG-SXOMAYOGSA-N 590.700 2.664 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ncccc2F)CC1=O 2356138872 RMGNUVQHGQDOGD-SSEXGKCCSA-N 551.663 2.796 0 50 KFAA CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccc(Br)cc2)C1=S 15799204 COMJLDPRADDWJG-GOSISDBHSA-N 503.422 2.661 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cncc(Cl)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952861875 ILPWBXVPUZIJCZ-UYEZAFAQSA-N 733.266 2.585 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(Cc3cc(OC)c(OC)c(OC)c3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704319474 WFADGMRCTAFUKG-LQJQRVQGSA-N 697.874 2.928 0 50 KFAA CC(C)C[C@H]1NC(=O)CCCN(C(=O)c2ccccc2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714493 SXRCILHQLAZHPH-WIOPSUGQSA-N 573.698 2.706 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)C(C)C)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857701818 QHEITMSFQTVNMJ-PPBFFVFISA-N 685.794 2.648 0 50 KFAA O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)C(=O)N1CCC(Cn2cc(Br)cn2)CC1 1875353156 LHLGLOYCOIVDFW-UHFFFAOYSA-N 509.368 2.652 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)NC4(c5ccc(OC(F)F)cc5)CCOCC4)ccc3C2=O)C(=O)N1 2325899160 RHCQXHTXNHSQTJ-FQEVSTJZSA-N 528.512 2.876 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 9335093 AZDGFMUXQLYLOG-LYRGBEMXSA-N 522.579 2.741 0 50 KFAA COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2ccc(OC)cc2N(C(=O)CN2C(=O)CCC2=O)C1(C)C 150363287 YLXSEZHZYHVPTN-UHFFFAOYSA-N 718.784 2.761 0 50 KFAA CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@H]1N(C)C 252441401 TYQXKHPOXXXCTP-RIAPYGCHSA-N 790.001 2.747 0 50 KFAA CC(C)=CC/C=C(\C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 263617360 NJUXRKMKOFXMRX-VVIIFYNXSA-N 767.010 2.954 0 50 KFAA CCn1c(C)ccc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)c1=O 952863037 QVSZTMHIADRTQW-NSOVKSMOSA-N 632.714 2.732 0 50 KFAA COc1cc(CC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@@H](CCc4ccccc4)C(=O)N[C@H](C)C(=O)N2C3)c(C(C)=O)cc1OC 2100533746 YJDOURDFIGOGRD-GHXPEJJHSA-N 646.785 2.931 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccccn2)CCCC1=O 2356136179 JQRFSOGJUNNLGR-PMERELPUSA-N 533.673 2.657 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 16700355 SADYBNWTXQYPHK-LYRGBEMXSA-N 522.579 2.741 0 50 KFAA O=C(N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O)c1ccco1 109995436 QYMFQQASNBJPDL-JTQLQIEISA-N 527.052 2.620 0 50 KFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@@H]1O)C3(C)C)[C@H](O)C2 248334067 KVVHJCZXSZVOLS-NCGUXBJUSA-N 546.796 2.511 0 50 KFAA Cc1cnn(CCC(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)c1 1772817865 YFYDAGJQWTVLFS-CUNXSJBXSA-N 632.747 2.825 0 50 KFAA CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O 1775966686 TZHGYWCJIXHMJK-ZMVRIBBXSA-N 839.029 2.505 0 50 KFAA Cc1nsnc1C(=O)N1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)CC1CCCC1)C[C@@H]32 1875240404 RLXMGSDGWMJHIF-RBTNQOKQSA-N 553.685 2.773 0 50 KFAA O=C1NCCCN(C(=O)c2onc3ncccc23)CCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 1875242236 OTFHUPWICIYEHT-RPWUZVMVSA-N 583.601 2.848 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc[nH]1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533823 HCRWBKJPRDJDQV-VWLOTQADSA-N 570.650 2.655 0 50 KFAA CC(C)C(=O)NCCCNc1ncc(C(F)(F)F)cc1S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 2325823540 WEWMZGANGIQPLO-NRFANRHFSA-N 557.639 2.854 0 50 KFAA O=C1NCCCN(C(=O)Cn2ncc3ccccc32)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356136607 BBUDDJDKSUNVRV-MFYCAMOKSA-N 526.641 2.501 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1n[nH]c3c1CCCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864665 YMTMRGYTJQNJIO-NDEPHWFRSA-N 640.745 2.514 0 50 KFAA CCc1oc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(C(=O)O)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1CN1CCCC1 1772713243 AZQWKBNGGQALHP-WNJJXGMVSA-N 616.671 2.847 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)C3CCOCC3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713404 HDHKSZAFRNLHLQ-SFDJXPEFSA-N 733.907 2.543 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccccc2-n2cccn2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857703778 YVGQDCQXWOLEMQ-VYVPPWFUSA-N 703.804 2.999 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)CCc2cccnc2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857741420 RWZARSGIBVLNEG-HSZRJFAPSA-N 522.694 2.922 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)c1 2325901816 ZWMSCRNDPWZAHL-UIOOFZCWSA-N 586.670 2.819 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3sc(C(C)C)nc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321912 ICFHVFYPEBATIJ-LHIMOPHOSA-N 670.877 2.943 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2csc(N)n2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1800430484 NXPDIODWWROYQS-JTSKRJEESA-N 622.733 2.583 0 50 KFAA O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CCC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 1875322316 PFBYUQIYQHJAIC-AFQPOQBFSA-N 515.364 2.715 0 50 KFAA CCOc1c(NC2CN(Cc3cccc(C(=O)Nc4ccc(-c5n[nH]c(C6CC6)n5)cc4)c3)C2)c(=O)c1=O 1875387205 UCQLOWKXVRJLKC-UHFFFAOYSA-N 512.570 2.892 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1nnc3n1CCCCC3)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100532874 HHLCAGHVHAQOPJ-SANMLTNESA-N 640.745 2.645 0 50 KFAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)c1C 2100533770 ZKTRIYZAPWYGOJ-UMESGILHSA-N 575.710 2.539 0 50 KFAA CN(Cc1cccc(OCCN2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1)C[C@@H]1CCC(=O)N1 14986804 SSXYEFQLJORSLT-DEOSSOPVSA-N 517.630 2.889 0 50 KFAA C[C@@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@H]3[C@H]1[C@@H]1CC[C@@H]5O[C@H](N6C(=O)CCC6=O)[C@]4(C)[C@H]3[C@@H]51)O[C@@H]2N1C(=O)CCC1=O 253596820 WHKWKQIREHTRPI-MHCKEDRQSA-N 520.626 2.551 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O 409414957 ZWAKNXSPSFIIKF-CAOCKLPOSA-N 514.667 2.678 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CSc3n[nH]c(C)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952863784 DASAIYRYABUORC-DQEYMECFSA-N 578.695 2.705 0 50 KFAA CCc1nccn1CCC(=O)N1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1 1704321472 PXNCBCAQMSYWFF-FGMAMLAKSA-N 840.039 2.799 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1cccnc1C(F)(F)F)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772704337 SWNBXXLODQSKGV-KCWPFWIISA-N 692.765 2.532 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N[C@@]4(c5ccc(OC(F)F)cc5)CCCOC4)ccc3C2=O)C(=O)N1 2325901512 JDFOBUBIAXKPEB-IBVKSMDESA-N 528.512 2.876 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 100657319 JLPUHKTWXUMQGL-CCDWMCETSA-N 527.687 2.856 0 50 KFAA Cc1nc2sccn2c1C(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 952863431 IZVUSTJWILWROA-ICSRJNTNSA-N 542.021 2.571 0 50 KFAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cc3ccccc3s1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741097 CJDABWRIQYXGFH-WNCULLNHSA-N 715.829 2.922 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)Cc2ccc(CO)cc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533477 QSJOWGUNIXPBJX-HHHXNRCGSA-N 561.683 2.543 0 50 KFAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2c[nH]c3ccccc23)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704319566 XDVPDBSNIWQJJX-CKWKDRJPSA-N 721.859 2.701 0 50 KFAA CC(=O)OCC1=C[C@H](OC(C)=O)[C@@H]2C[C@H](O)C(C)=C([C@@H](OC(C)=O)C(OC(C)=O)=C(C)[C@@H](OC(C)=O)C[C@@H]1O)C2(C)C 1772820435 YCHBJSOVHSKOKN-ARLJFNNLSA-N 594.654 2.596 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc(C(C)C)nc(N)n1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775981090 OAWKQMBITMSQKJ-SANMLTNESA-N 593.685 2.836 0 50 KFAA COc1ccc(CN2C[C@@H](C(=O)NCCCN(C)C)C[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1OC 14749872 BERACCVSXRAIJM-LEWJYISDSA-N 500.615 2.988 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 97950525 CPRGVNRMJWPGPY-YXDQGSNCSA-N 550.589 2.658 0 50 KFAA COc1cc2ccc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3cccnc3)CCCNC(=O)CC2)N(C(=O)Cc2cn3ccsc3n2)C1 1704322015 BQUAVQOPPCJAER-VMPREFPWSA-N 701.850 2.811 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(Cc1ccc(-c3cc[nH]n3)o1)CCCNC(=O)[C@@H](C)NC2=O 1704335855 HONTYNXWXHLNSE-HXUWFJFHSA-N 546.632 2.679 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2cc(C)on2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775983769 BAGNOTKOWJIBAN-BHBYDHKZSA-N 709.808 2.527 0 50 KFAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@@H](CC3)N(CCC(C)C)C(=O)C1 1875239921 ZYGLXNPDDYZHCT-RUZDIDTESA-N 631.778 2.779 0 50 KFAA NC(=O)[C@H]1CC[C@H](Cn2nnnc2N2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)CC1 2325852329 AASKXCVBTXVMSA-WKILWMFISA-N 511.524 2.777 0 50 KFAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CCC3=NNC(=O)CC3)C2)c1 14747177 LYAVSKHAYSJQAB-RUZDIDTESA-N 506.603 2.540 0 50 KFAA CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H](OC(=O)[C@](C)(OC(C)=O)[C@H](C)OC(C)=O)CC[C@@]3(C)[C@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O 253487099 DWJHOAWDSIQEDR-OUQLOOORSA-N 878.022 2.749 0 50 KFAA CCc1nnc(CN2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)o1 952865833 WRMYAQVFTIGSTE-GMAHTHKFSA-N 505.575 2.704 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)c3cc(-c4cccs4)nn3C)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704323671 XVFRYTSBRYEOQV-SCXNRCNLSA-N 783.952 2.999 0 50 KFAA COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCN2CCOCC2)cc1 59758359 UURTUCQCKHQWEB-NRFANRHFSA-N 531.034 2.790 0 50 KFAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OCCc3ccc4c(c3)CCO4)c(OC)c2)c1O 253623922 SZRFFPCTAYLMHJ-GOSISDBHSA-N 508.527 2.852 0 50 KFAA biogenic Cc1ncsc1CCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952856470 JBHXABXPQMDYIZ-UHFFFAOYSA-N 522.675 2.969 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cn[nH]c3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 952856706 PRWKXAVXIYPHKZ-IZZNHLLZSA-N 563.655 2.979 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cscn3)C[C@@H]1OCc1cccc(c1)O2 952857877 ROTFDSWKIZQBKS-AHWVRZQESA-N 595.678 2.803 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)C3(CO)CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952863511 KGFJWZSAQLYUQR-RRPNLBNLSA-N 609.720 2.674 0 50 KFAA CCOc1ncccc1C(=O)N1CCCNC(=O)[C@H]2CN(C(=O)c3nn(C)cc3Cl)C[C@@H]2c2cccc(c2)OCC1 1875240440 SCSMZLVMNUYYRM-PKTZIBPZSA-N 581.073 2.764 0 50 KFAA O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCN(CCc2cn(-c3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)CC1 2325836931 ZGXFMOPKDRHTJQ-UHFFFAOYSA-N 676.830 2.938 0 50 KFAA CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)c3cnn4ccn(C)c34)CC[C@]23C(=O)N(CC1=O)c1ccccc13 952858192 YBLYMLCKIRJYDC-FREGXXQWSA-N 538.608 2.786 0 50 KFAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2ccc(F)cc2Cl)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704318646 QINRECNLNMJRRP-SMLKGKRCSA-N 749.284 2.941 0 50 KFAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N1C2 1857739698 OVYSDEWZKGUYTP-WLAGUEDKSA-N 576.760 2.763 0 50 KFAA CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@@H]1CCS(=O)(=O)C1 253405265 IEQOFAWBOMLEAK-ZCELUUQUSA-N 615.749 2.993 0 50 KFAA biogenic COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cccc3ncccc13)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856040 DRAITHBTSBUAOM-LZDWAJIASA-N 728.851 2.867 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cc3cnc4c(C)cccn34)C[C@@H]1NC(=O)CC2 1772713408 HLTZBMGMYIPFID-WNJJXGMVSA-N 597.672 2.610 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2ccncc2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775978525 PBCGGEITAPFKPW-BHDXBOSCSA-N 705.820 2.626 0 50 KFAA Cn1cc(C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)c4csc5ccccc45)CN3C2=O)c2ccccc21 1857740023 DYEKKLOMIHGSSY-LLTPQMNRSA-N 686.791 2.541 0 50 KFAA CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H](OC(=O)[C@](C)(OC(C)=O)[C@@H](C)OC(C)=O)CC[C@@]3(C)[C@H]5C[C@@H](OC(C)=O)[C@@H]4[C@@]21O 253487098 DWJHOAWDSIQEDR-GKGNHRDKSA-N 878.022 2.749 0 50 KFAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253500734 QLPBVUOEXHYSIY-FPHQKMJTSA-N 589.575 2.687 0 50 KFAA CCn1cc(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)c(C)n1 1772713228 HQTDVLTZUWOBFA-ZIUFOHNRSA-N 757.933 2.955 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cn2ncc3ccccc32)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713624 PQJLLBVRECBUDT-LSJJIYBBSA-N 715.856 2.773 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)CCCNC(=O)COc2ccc(cc2)C1 1857705391 FRLJDWVUHJRARF-PSXMRANNSA-N 662.784 2.762 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H]2CCCO2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857725536 AZMVRVHXBPSBAA-RSXGOPAZSA-N 560.655 2.588 0 50 KFAA COCC[C@]1(C(=O)NCc2nnc3n2CCC3)CNC(=O)CCCN(C(=O)c2cn(C)c3ccccc23)CCCNC(=O)COc2ccc(cc2)C1 1875240409 CKAUCWPTZWNZKS-KXQOOQHDSA-N 712.852 2.535 0 50 KFAA Cc1nc2ccccc2n1CCC(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857724905 RLJFOFONAQZERC-PMERELPUSA-N 663.783 2.919 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CN(C(=O)C1CCS(=O)(=O)CC1)CC(=O)N[C@H]2C(C)C 2356138383 LBUFISJNNFKOEJ-RTGAMMJTSA-N 684.841 2.752 0 50 KFAA O=C(CN1CSCC1=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21 2325877234 MXSMLRHPQDTFHS-CGYBZPKUSA-N 526.456 2.766 0 50 KFAA COc1ccccc1CCN(C)CCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325899885 CNGPKFSMOGYDEI-JOCHJYFZSA-N 534.613 2.770 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356134839 FMNKNMPKLUVOCZ-JHTITAFHSA-N 674.802 2.974 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)Cc2cccnc2)CCCC1=O 2356135125 QIPGUQRYMKXSJP-WJOKGBTCSA-N 547.700 2.585 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(CC)c3)c(=O)n2[C@@H]1c1ccc(Br)cc1 2800056 XPIZNVUQHSBJPH-RPXHZFJKSA-N 501.406 2.777 0 50 KFAA CN1C(=O)c2cccc3c(S(=O)(=O)N4CCN(S(=O)(=O)c5ccc6c7c(cccc57)C(=O)N6C)CC4)ccc1c23 2890967 FBAFABDJXPFHSH-UHFFFAOYSA-N 576.656 2.868 0 50 KFAA COc1cccc2c1ccn2CCNC(=O)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(C)C 409413012 BXCSFDALFCFWEX-BVFVYWQFSA-N 505.619 2.781 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccc3c(=O)n(C)cnc3c2)CCCC1=O 2356140075 SGXQHVIVDKUNFT-UUWRZZSWSA-N 614.747 2.508 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 14750410 SCKUPBDRWKIHLL-UODIDJSMSA-N 507.631 2.923 0 50 KFAA O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cccnc3)C4=O)CC2)CC1 14986925 UAQFVSGBFZYSRR-UHFFFAOYSA-N 527.581 2.672 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)[C@H]1CCC(=O)N1)CCCCN(C(=O)c1ccc(N3CCOCC3)nc1)CCn1ccnc1-2 2356136099 GPVXVBBTEGUNEB-HHHXNRCGSA-N 645.761 2.603 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 14743800 GBCYJNFPXWWXRB-AREMUKBSSA-N 510.635 2.752 0 50 KFAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@@H]2C(=O)c1ccc(OC)cc1 253387962 YRECILNLFWZVRM-QQFUMNNMSA-N 627.775 2.989 0 50 KFAA biogenic Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cn(CCO)nc3C)C[C@H]1NC(=O)CN(C)C2=O 1615707245 CZGVQYXOCDHSQB-SXOMAYOGSA-N 547.656 2.646 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccon2)CCCCNC(=O)[C@@H](C)NC1=O 1704321329 JEMYVKGRWZUOIY-LDVROUIZSA-N 630.746 2.604 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](N)c3ccccc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817750 QXANTNXKMANBMS-XVQPUGRFSA-N 754.929 2.817 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)CCO3)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857703002 MAWZOBXNIHHGAQ-MWYIXNDJSA-N 679.778 2.748 0 50 KFAA O=C1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857741291 MAGFALXAWZBIGR-MHZLTWQESA-N 621.138 2.760 0 50 KFAA O=C1NCCCN(c2nccc(C(F)(F)F)n2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 2100533409 NXJPCJKKJPFHNU-SXMMONRFSA-N 514.552 2.938 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(F)cc2F)C1 14533832 ZHQUHDDILHSLPP-NRFANRHFSA-N 503.546 2.712 0 50 KFAA CCc1oc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3ccc(cc3OC)C(=O)NCCC2)cc1CN1CCCC1 952856556 NDFRUVXWMJOPMA-QHCPKHFHSA-N 625.767 2.844 0 50 KFAA CN(C)Cc1nc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cs1 1772714013 YHDQIQHMYIONIN-BDYUSTAISA-N 605.717 2.704 0 50 KFAA COc1ccc2c(c1)c(C(=O)N1CCCC(=O)NCCOc3ccc(C)cc3C(=O)NCC1)c(C)n2C 1857689078 VDSDSHJFWMOXLA-UHFFFAOYSA-N 506.603 2.965 0 50 KFAA COc1ccc2cc1OCCCN(Cc1ccc(-c3nn[nH]n3)cc1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940197063 PJOXXNDRIZESAM-NDEPHWFRSA-N 635.729 2.867 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cc4c(nc3OC)CN(C3CCCC3)C4=O)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162161 AGJGXORUPGGKEV-SMCANUKXSA-N 685.734 2.716 0 50 KFAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1 14536289 NGUFDGLQWCYGQC-MHZLTWQESA-N 507.631 2.752 0 50 KFAA CC(=O)N[C@@H]1[C@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@H](O)[C@@H]1O 245264688 DTQGGFOPSZLQAV-MXCNSHPNSA-N 530.581 2.671 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ncccc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323766 YMQKOBUOTHEMKK-NSCCKQAPSA-N 808.981 2.967 0 50 KFAA CC(=O)Oc1cc(C(=O)N(c2ccc(C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc(OC(C)=O)c1OC(C)=O 1158379 GIPIZBZSNJSBDW-HXUWFJFHSA-N 501.513 2.728 0 50 KFAA COC(=O)CCCNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 253399471 CYUIKAJIYBJTTO-KKSFZXQISA-N 555.628 2.733 0 50 KFAA biogenic Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)C[C@H]1NC(=O)CN(C)C2=O 1615706268 AKSYSZXROQTJRZ-SXOMAYOGSA-N 591.709 2.869 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]1NC2=O 1704319318 UTBATUBYHVVNJT-LSYYVWMOSA-N 572.666 2.546 0 50 KFAA CC(C)CC(=O)N1CCCN(C(=O)Cc2cccnc2)CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 1704322166 JVNVOZYSROIEKV-DQEYMECFSA-N 553.729 2.972 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)C2CCC2)CCCNC1=O 1704340208 PYNWDDLXXHNESX-DEOSSOPVSA-N 542.706 2.556 0 50 KFAA Cc1nccc(-c2ccccc2)c1C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)/C=C/c3ccccc3)CN2C1=O 1857690804 MBOPWQRYQQFYBC-IQOPZVDCSA-N 694.789 2.604 0 50 KFAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 2100533414 OAJKCDFIGISJRN-AREMUKBSSA-N 591.713 2.554 0 50 KFAA Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)O)C(C)C)cc1 3930111 NVVGCQABIHSJSQ-KFZSMJGVSA-N 708.813 2.888 0 50 KFAA in-vitro CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@H]2SC1 8927984 YNXTZYIYTKKIAZ-HTAPYJJXSA-N 520.947 2.736 0 50 KFAA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 229976431 YWMSBTBFCOTHTB-JEAQZTPCSA-N 592.598 2.729 0 50 KFAA biogenic Cc1ccc2nc(C)c(C(=O)N3CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc4cccc(c4)OCC(=O)NCCC3)cc2c1 952856282 WNENJPGPTHHNDI-DEFXHWDQSA-N 716.880 2.728 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CSC)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952859398 VTXZETRKPUSKQJ-ZEQRLZLVSA-N 511.644 2.849 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)c3cccc(O)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616107535 KGZXUXBDMJEBHR-FTJBHMTQSA-N 544.608 2.900 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cc3ncccn3n2)CCCCNC(=O)[C@@H](C)NC1=O 1704323560 VJVZTTOTEJITQJ-TZFWCWEWSA-N 680.810 2.658 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cnc4ccnn4c3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772818048 XKXAOJGZIWCJSY-SZETWRQASA-N 780.927 2.782 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(Cc2cccnc2)CCCNC(=O)COc2ccc(cc2)C1 1857705351 DCXYNSVNJKSWFF-PMERELPUSA-N 554.688 2.507 0 50 KFAA CN(C)CCCC[C@@H]1NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952855917 RNIYILMOOGPYQS-UIOOFZCWSA-N 596.132 2.588 0 50 KFAA Cc1cccc(N(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)S(C)(=O)=O)c1 952862481 OKRCANMIXKCJRB-VMPREFPWSA-N 635.743 2.774 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c3cnc(N)s3)CC[C@@H]1OCc1cccc(c1)O2 1615706206 LRSRSPXGWJXXPU-PKTZIBPZSA-N 565.652 2.918 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cccc(OC(F)(F)F)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704317279 GTROLMILJDLTPR-OZBXUNDUSA-N 691.748 2.954 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc[nH]2)CCCCNC(=O)[C@@H](C)NC1=O 1704323887 JEYHWXZRADASJJ-NRSKXHDUSA-N 628.774 2.944 0 50 KFAA CCNC(=O)[C@@H](c1cnc(=NC)[nH]c1)N(C(=O)c1snc(C)c1N)c1ccnc(Sc2ccccn2)c1 2325823517 VRQPUWSDLMGGRO-HXUWFJFHSA-N 535.659 2.753 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)COc3ccc(F)cc3)C[C@@H]1NC2=O 2356161809 KWKIRFHAQYGAEC-LOSJGSFVSA-N 563.582 2.700 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)COc1ccccc1C)CC(=O)N[C@H]1CN(C(=O)c3ccncc3)C[C@H]21 2100533179 DKMQOICOHUEFQE-RPBOFIJWSA-N 558.635 2.813 0 50 KFAA O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)C(=O)N1c1ccc(Br)cc1 100289036 UADCVHYYJHDAST-WOJBJXKFSA-N 590.272 2.793 0 50 KFAA CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1C1=CC(=O)OC1 253505846 NEBPBFLVSYFRQE-FPYNTQPCSA-N 822.986 2.789 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCS(=O)(=O)CC2)NC1=O 952856338 FOCNAXIHCWWYIX-YPKYBTACSA-N 692.810 2.717 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(-c3cc[nH]n3)s2)CCN(C)C(=O)[C@@H](C)NC1=O 1704317956 LQEKNMCMQQFIGJ-HFIHNMJYSA-N 747.948 2.733 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2CCN(C(C)=O)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321760 YOGJZIDVNUSUEB-AEORVRAXSA-N 718.896 2.569 0 50 KFAA O=C(N[C@H](CO)[C@H](O)c1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 2325851326 WKPRDNKQMGLQKT-VAMGGRTRSA-N 531.856 2.856 0 50 KFAA C[C@H](NC(=O)C1(NC(N)=O)CC1)[C@H](NC(=O)c1ccsc1I)c1ccccc1 2325876999 HANKLXJBLZLOJY-FZMZJTMJSA-N 512.373 2.529 0 50 KFAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-n2cccn2)CN1C1CCN(CCc2ccccc2)CC1 14952398 PHEMDIODHYOAKH-KCWPFWIISA-N 501.631 2.925 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1 150656667 KWDGKCSCJKTSJY-JNCGISBCSA-N 634.736 2.764 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 253413491 UXNHZTTXFZLBTN-UCFCWBNQSA-N 633.789 2.700 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CCn3nnnc3C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952863928 WOIDXTKYXHGMHH-NSOVKSMOSA-N 605.696 2.729 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2csc(N)n2)CCCCNC(=O)[C@@H](C)NC1=O 1704317925 KSTZODJOYHMLIJ-VYCLJVNGSA-N 661.829 2.654 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cc3ncccn3n1)CCCNC(=O)[C@H]1CN(C(=O)Cc3cccc(F)c3F)C[C@H]21 2100533392 NDPNPMSKAXFVFX-PKTZIBPZSA-N 618.641 2.842 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1/C=C/c1ccccc1 8818895 WEEJNSCHMFIBGN-QNMKSDMMSA-N 513.575 2.727 0 50 KFAA COC(=O)CCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C 253411281 OKXNYDBCAQJZPG-IDISGSTGSA-N 569.655 2.979 0 50 KFAA biogenic CC(C)c1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)on1 952856978 PLGXRWYGAVFDBI-UHFFFAOYSA-N 506.607 2.996 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc(C)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1800411738 MWRZDPDZNQOZAH-YTTGMZPUSA-N 629.776 2.992 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCNC(=O)COc2ccc(cc2OC)C1 1857704058 BPHHWFOOOJSXEV-XIFFEERXSA-N 709.884 2.723 0 50 KFAA C[C@H](O)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1 2332925151 VBVVLENGSKTSOM-YLFCFFPRSA-N 534.558 2.864 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(Cl)cc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704318024 NIDHRJDCBWTXMA-LEEWXGEHSA-N 724.284 2.575 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1ccc2nnc(-c3cccn3C)n2c1 2100533141 BRDKWRTZZFKCGT-LOSJGSFVSA-N 613.719 2.927 0 50 KFAA Cc1nc(C)c(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@@H]3C2)c(O)n1 1616114959 ZOGJYCMPVFUFRB-FTJBHMTQSA-N 573.650 2.830 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCCCC3)C[C@@H]1NC2=O 1704321922 IJJIQQANXJJPHB-DHLKQENFSA-N 507.587 2.672 0 50 KFAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@@H](c2ccccc2)NC1=O 1704323823 ZFTUYKQUJMHKAI-LMWOMLOISA-N 706.844 2.973 0 50 KFAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCNC(=O)c3ccc4nc(O)n(c4c3)CCCNC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC2)c1C 1775978848 PTUHSTWZUKEADA-MMTVBGGISA-N 665.792 2.957 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2ccccn2)CCNC(=O)COc2cc(ccc2OC)C1 1857702428 AVPBPCAUSQSOEK-WJOKGBTCSA-N 566.699 2.890 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)c1ccn(C)c(=O)c1)CCNC(=O)CC2 1857724081 LGPGGOAVIDWWIY-VWLOTQADSA-N 588.661 2.604 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)NC4(c5cccc(OC(F)F)c5)CCOCC4)ccc3C2=O)C(=O)N1 2325898974 HIIPBCGAEWCVEV-HXUWFJFHSA-N 528.512 2.876 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N[C@]4(Cc5ccc(C(F)(F)F)cc5)CCOC4)ccc3C2=O)C(=O)N1 2325899163 RJPOTQWPQTYBCA-CPJSRVTESA-N 530.503 2.990 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)[C@H]4CCCO4)C3)CN1C(=O)CC2 2356135915 YHSMUNWTRSHYOE-UHRQBARKSA-N 541.689 2.724 0 50 KFAA CCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(O)nc1=O 254569935 YIBGABDTNWKKJI-CTDWIVFPSA-N 658.620 2.525 0 50 KFAA CC(=O)O[C@H]1C[C@]23C[C@@]24CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@H]14 605705429 XUJMHSCMPCZWOV-PQQYZUDNSA-N 674.828 2.949 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCS(=O)(=O)N3CCSCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 888088394 UZUWADXBLRNGRF-OUTSHDOLSA-N 676.858 2.794 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cc3c(C)nc(C)nc3O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952864537 IQVJQJDPSASRNJ-FIBWVYCGSA-N 629.714 2.992 0 50 KFAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CC(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C1 1704327349 RVITVRQBYGKWAA-UTIWSPQHSA-N 656.828 2.842 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc(F)cc2F)CCN(C)C(=O)[C@@H](C)NC1=O 1704325924 ONWLQZQODCUJCC-XFOUTTHBSA-N 711.836 2.559 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cc3ccccc3n(C)c2=O)CCNC(=O)COc2cc(ccc2OC)C1 1857705566 MTTWAACQNWNMNO-BHVANESWSA-N 660.768 2.987 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N3Cc4nc(C)nc(O)c4C3)cc(c1)-n1ccnc1-2 1857725115 XBQXXDUEAWJYII-UHFFFAOYSA-N 512.526 2.517 0 50 KFAA Cc1ccc2cc(-c3cn(CCNC(=O)Cc4c(C)nc(O)n(Cc5ccccc5)c4=O)nn3)ccc2n1 1875340870 WHDJXVHCBJPXMT-UHFFFAOYSA-N 509.570 2.780 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 1805260 NNEPSGQTFDZIQS-FEYWKWKCSA-N 533.606 2.552 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 16700141 PYFRPTDCEBSAIY-JGZDWKDESA-N 512.971 2.996 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cn3nc(C)c(C)cc3=O)C[C@@H]1NC(=O)CC2 952857736 SNZAQBJNHLNWPW-LOSJGSFVSA-N 546.624 2.910 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)CCc3cnccn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616094174 KCTICOIUFNAJSR-IZLXSDGUSA-N 557.651 2.909 0 50 KFAA CCn1nc(CC(C)C)cc1C(=O)N1CCOc2cc(ccc2OC)-c2nccn2CCNC(=O)[C@@H](C(C)C)NC(=O)C1 1704315949 FWLNJMZGSCVDBP-MUUNZHRXSA-N 593.729 2.765 0 50 KFAA CO[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](CNC(=O)c2ccccc2)O[C@@H](OC)[C@@H]1NC(=O)c1ccccc1 4565692 AQQYYMVCHAXJFN-SSBCBVQQSA-N 518.566 2.827 0 50 KFAA CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCCc2ccc(O)cc2)c2cc(OC)c3c(c2)OCO3)c1O 253496516 KEJXJTJCYAGHEZ-GOSISDBHSA-N 524.526 2.993 0 50 KFAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3csc(-c4ccc(C(F)(F)F)cc4)n3)CN2C(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)CCCCN1 1857698302 KQNJQWJGUSMZLB-FVEXOFTDSA-N 772.759 2.705 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cnc3ccccc3n1)CCCNC2=O 2356133932 NGNICWHZOBGURF-NDEPHWFRSA-N 600.680 2.707 0 50 KFAA CCCc1nnc(N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(c(OC)c4)O[C@H]3C2)s1 2356162646 NWBOOELFJKTEOM-MBSDFSHPSA-N 553.641 2.583 0 50 KFAA COc1cccc(CO[C@@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc34)C2)c1 14540185 LWIWMBYRBCWRTE-DENIHFKCSA-N 506.603 2.947 0 50 KFAA CC[C@H](O)[C@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H]1C 255990213 NMIWBQUQCOMGHJ-CAWMSXTMSA-N 715.922 2.892 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cc1cc(F)ccc1F)CCCNC(=O)CC2 952863585 QNSWDCRRQHGUKG-NRFANRHFSA-N 602.679 2.619 0 50 KFAA CCOCC(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)C1 1704321352 KFNGFRYNWJLMAK-VWLOTQADSA-N 583.089 2.627 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1CCCN(C)CC1)CCCC(=O)N[C@H]2Cc1ccccc1 1800430481 NVNZXBTYVCFVIO-YZNIXAGQSA-N 692.887 2.956 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@H]1CCS(=O)(=O)C1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857723919 CINLQRGNGOTIRT-DEOSSOPVSA-N 566.680 2.536 0 50 KFAA CCN1CCN(S(=O)(=O)c2cnn(C)c2C)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857724437 DPRUWLNJOSIFEF-JOCHJYFZSA-N 643.811 2.552 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 653513 XVQQQOSLQDTLEZ-IGSWSUAKSA-N 524.595 2.833 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 1197326 MISNCYATPVFDOG-YOURIZNBSA-N 508.552 2.544 0 50 KFAA COCCN1C(=O)c2cccc(N3CCC(C(=O)N4CCN([C@@H]5CCc6ccccc6C5)CC4)CC3)c2C1=O 14880667 IKEIHOIPQMYZPH-RUZDIDTESA-N 530.669 2.847 0 50 KFAA CC(=O)c1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n[nH]1 952864444 WBHZWYPNEJJNAK-RRPNLBNLSA-N 559.623 2.725 0 50 KFAA Cc1nc(O)cc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@@H]3C2)n1 1615709607 YEDOCNHGHATXCR-RPBOFIJWSA-N 531.613 2.953 0 50 KFAA Cc1cc(C(=O)N2CCCCNC(=O)[C@@H]3C[C@@H](CN3C(=O)CCCn3cncn3)N(C(=O)c3ccccc3)CCC2)c(C)o1 1704335669 DAICKFXSGFVMPQ-XCZPVHLTSA-N 603.724 2.823 0 50 KFAA CNC(=O)[C@H](c1cccc(C(=O)OC)n1)N(C(=O)C[C@@H]1CCCC(=O)N1)C1CC[Si]2(CCCC2)CC1 2325839059 HQMYCTMEPIYBAH-UUOWRZLLSA-N 514.699 2.948 0 50 KFAA C[C@@H]1NC(=O)CN(S(=O)(=O)c2cccc3c2OCCO3)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356135029 MSYKCWMGUGHCSU-QFIPXVFZSA-N 646.726 2.797 0 50 KFAA CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(=O)C(C)C)O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C 95713001 ZNEBZIJCDDCNRC-SWTLDUCYSA-N 846.917 2.987 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)c1ccc(N3CCOCC3)nc1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857704782 FYJYSEDBDYUOPK-MJVKXCJRSA-N 773.888 2.655 0 50 KFAA CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(I)cc3)N(CC(=O)OC)C2=S)cc1 59738358 GFXOIOXPRYBJAM-SFHVURJKSA-N 595.415 2.972 0 50 KFAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)[C@@H](C)O 150663008 PGVJHCSNAXLBAW-AAKMWWAASA-N 789.927 2.725 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713476 MYLYWKKZIHJGCH-QHWMMSMNSA-N 712.774 2.768 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3n[nH]cc3Cl)C[C@@H]2Oc2ccc(cc2)CN1 1772714065 YECHSDVYMRPFGQ-ZEQRLZLVSA-N 566.014 2.563 0 50 KFAA O=C1N=C(O)N(Cc2ccccc2)C(=O)[C@@]12Cc1c(nc3ccccn3c1=O)N1CCc3ccccc3[C@H]12 230035748 KEBJFDRNPVYDHT-MUAVYFROSA-N 505.534 2.824 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)COC)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1615708038 SQFUEIKEXKARFG-FTJBHMTQSA-N 583.682 2.548 0 50 KFAA COCCn1ccnc1CN1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704330515 DXLOQCNLGYCCQY-RKVVATLDSA-N 673.859 2.818 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801052 IKJNNQJEFRCUHB-GLOKNNJPSA-N 568.531 2.922 0 50 KFAA CCOc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(OC)c(OC)c4OC)CC3)n2C)cc1OC 1875321837 XWXSWDZGLINROJ-UHFFFAOYSA-N 511.579 2.878 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(c3ncnc4c3ccn4C)C[C@@H]1NC2=O 2356161793 KCFQVZBPMNBCGD-XZOQPEGZSA-N 560.586 2.581 0 50 KFAA O=C1NCCCCN(C(=O)c2cnn(Cc3ccccc3)c2)CCCN(C(=O)c2ccccc2)[C@@H]2CN[C@H]1C2 1704316802 AKUOOBHGFFTPMB-SVBPBHIXSA-N 528.657 2.547 0 50 KFAA O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 18041822 RUDDIZJMSKPGHV-WDXRGRCHSA-N 506.028 2.887 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c3cc(C)n(C)n3)CC[C@@H]1OCc1cccc(c1)O2 1615708668 VOSHIECJRQUZPQ-SXOMAYOGSA-N 561.639 2.921 0 50 KFAA Cc1cc(C)cc(CCC(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c1 1704317896 KJRCFYBMRFHLJD-UBQPBEJKSA-N 745.947 2.857 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCc3ccc(F)c(F)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323100 OTUWLHPBFNMKKA-RYCXQYRLSA-N 671.786 2.652 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCCCCC2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713175 GMUHJSDYGQMSEA-SCZOVYFASA-N 696.894 2.599 0 50 KFAA COc1cc2ccc1OCCCN(C(=O)CN)CCCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCc1nc-2oc1C 1775983299 VMBLAEPHYNETSG-VWLOTQADSA-N 602.692 2.834 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc(F)cc2F)CCNC(=O)COc2cc(ccc2OC)C1 1857703864 ZYFQTRQOHGIBDS-HKBQPEDESA-N 651.729 2.961 0 50 KFAA Cn1ccnc1[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1F 2325825708 ZWXMFKXPLVYDLM-SFHVURJKSA-N 508.373 2.580 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2cccnc2)CC1=O 2356136098 GPNJLAFVOARWTK-SSEXGKCCSA-N 533.673 2.657 0 50 KFAA COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 13482474 LYOQSTRXZXQVFD-HNNXBMFYSA-N 511.840 2.755 0 50 KFAA O=C(Cn1cccn1)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952863611 QVNBNEQPPYMRQT-XCZPVHLTSA-N 509.570 2.716 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(Cc2ccncc2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704343861 GRYJIQAVGRVLEU-QZFRTWIZSA-N 729.908 2.501 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817300 KBTVSTDDPQQCSB-ZTOMLWHTSA-N 685.763 2.899 0 50 KFAA O=C1NCCCN(C(=O)Cc2cccnc2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 1875241866 XFGOTVNTFSCERN-FTJBHMTQSA-N 556.619 2.636 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(-c3ccsc3C(=O)O)nn2)c1 1875324941 OYVZDDSBNACOKM-UHFFFAOYSA-N 543.602 2.959 0 50 KFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 16282130 IYFFRQRCYCVXEY-UHFFFAOYSA-N 513.366 2.735 0 50 KFAA COc1ccc([C@@H](CC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263584894 BVRHZXAXXGWINH-LJQANCHMSA-N 552.646 2.520 0 50 KFAA biogenic CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cc(C3CC3)no2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772701144 CEUWYANMXFVPPG-QJOBHVHVSA-N 698.821 2.697 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(S(=O)(=O)N2CCC(COC)CC2)CCNC(=O)COc2ccc(cc2OC)C1 1857702459 BWGAAIJGDUYUHN-XIFFEERXSA-N 682.881 2.534 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CCCNC(=O)COc2ccc(cc2)C1 1857705196 XMMGKYDXFMKRKJ-UUWRZZSWSA-N 633.746 2.938 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cc3c(nc1O)CCCC3)CCCCNC2=O 1857707465 UGJNXRMXVSLHCJ-YQQMXWFASA-N 788.899 2.764 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 16699902 IWZNBSOKVWMWKF-XPCGLTFESA-N 522.579 2.741 0 50 KFAA O=C1CN2C(=O)[C@]3(CCN(C(=O)CCC(=O)NC4CCCC4)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952864949 RXCOUBKKTJGMBB-IGYGKHONSA-N 544.652 2.982 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)[C@@H]1CCCCN1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775978657 BDRBGYYVXCZRJY-LOSJGSFVSA-N 589.693 2.756 0 50 KFAA Cc1cc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)no1 1800430270 BAUDPZCTQJTOJM-CYFREDJKSA-N 605.677 2.840 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc3nc(C)[nH]c3c1)CCCNC2=O 2356134308 IYFVJJXJZKQPTO-NDEPHWFRSA-N 602.696 2.948 0 50 KFAA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)OC 22589104 AUNUJAFVNHVXOI-GUYCJALGSA-N 502.545 2.776 0 50 KFAA Cc1cc(C(=O)N2C[C@H]3c4cccc5c4OC[C@@]3(CNC(=O)CN(C(=O)c3nn(C)c4ccccc34)CCCO5)C2)no1 1875242208 MXMTUYKBBIQKHV-WKRVVKTRSA-N 584.633 2.529 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533326 KLFHGQAQXIWEPV-MHZLTWQESA-N 666.735 2.683 0 50 KFAA 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 70455423 NGMYNFJANBHLKA-LVKFHIPRSA-N 514.527 2.595 0 50 KFAA biogenic,in-vitro CN1CCN(C(=O)c2ccc(N3CCC[C@H](c4ncc(Br)cn4)C3)nc2)C[C@]12CCOC2 1875360528 CRHJZBVEPYMKBT-MBSDFSHPSA-N 501.429 2.565 0 50 KFAA Cc1ccc2nc(C(=O)N3C[C@@H]4C[C@H](C3)[C@@H]3CCCC(=O)N[C@@H](CCc5ccccc5)C(=O)N[C@H](C)C(=O)N3C4)c(F)n2c1 2100534074 SINAHMWVIZHFJP-PKSHOOMXSA-N 602.711 2.877 0 50 KFAA O=C1CCc2cc(OC[C@H](O)CNc3ncc(C(F)(F)F)cc3S(=O)(=O)N[C@@H]3CCSC3)ccc2N1 2325822994 ATDKHBHTMSZLBC-HZPDHXFCSA-N 546.593 2.621 0 50 KFAA COC(=O)c1ccccc1-n1cc(C[C@@H]2COCCN2C(=O)C23CC4(O)C[C@@](C)(C2)C[C@@](C)(C4)C3)nn1 2325853098 CZWHEEOLVLWRQX-PXXLQDKZSA-N 508.619 2.935 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N1C[C@@H](NC(=O)[C@H]3CCCO3)C[C@H]1C(=O)NCc1nc-2oc1C 2356139495 ZBPAEILTEGPWOC-UWDQQESISA-N 590.633 2.984 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 653608 VEQXUCKLVOXPPF-GSOQPGDSSA-N 508.552 2.631 0 50 KFAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)nc(OC)n1 1748664 VQMJZFHFPKNEJV-UHFFFAOYSA-N 561.642 2.722 0 50 KFAA CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CC(C)C)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 169712746 HNCICGFNJFYBRP-WTBAIAJFSA-N 516.642 2.916 0 50 KFAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccc(Cl)c(C)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952862001 KEGOXRGOQIYCRO-TVYLWUJTSA-N 730.303 2.924 0 50 KFAA COc1ccc2cc1OCCN(Cc1cccc(-n3cccn3)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704332157 QGKXMTQUMDYCGC-GDLZYMKVSA-N 571.682 2.896 0 50 KFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@@H](CC3)N(CCC(C)C)C(=O)C1 1857741308 NBHUFNGKDHSXCA-XMMPIXPASA-N 634.757 2.724 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@@H]2SC1 8927961 CFYQMHLNBLPBJT-AVRDEDQJSA-N 520.947 2.736 0 50 KFAA N=C(N)NCCC[C@@H]1NC(=O)[C@H](C[C@@H]2C=Nc3ccccc32)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CCc2ccccc2)CCCNC1=O 98210309 YUIBSMOWXFHTBD-KXIGYTACSA-N 839.055 2.583 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1 150656668 KWDGKCSCJKTSJY-GRVBVBMHSA-N 634.736 2.764 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cccnc1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775983529 MYVNDSNJOQIVIM-VWLOTQADSA-N 535.601 2.736 0 50 KFAA COC(=O)CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 253400269 DUDVGHMZXDINJW-GMAHTHKFSA-N 569.655 2.979 0 50 KFAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)C3CCN(C(=O)N(C)C)CC3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713780 SEVHKJVPXSSESU-QCEWHOJFSA-N 804.002 2.510 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCCn1cncn1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775980191 WKMVJPDRPGHIHB-RUZDIDTESA-N 615.691 2.685 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCN1CCCCCC1=O)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443300 FESMXGNAZRHQQR-QWPFQWAGSA-N 545.684 2.880 0 50 KFAA Cc1cc(C)n(CC(=O)N2C[C@H]3c4cccc5c4OC[C@@]3(CNC(=O)CN(C(=O)Cc3cccc(F)c3F)CCCO5)C2)n1 1875239910 WPDRVIDCYQSUOR-NRUKRWIHSA-N 607.658 2.753 0 50 KFAA CC(C)C(=O)N1CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)C1 2356139473 YGPGGAIJLMTUBE-FQEVSTJZSA-N 518.618 2.819 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772703430 LIHJHFLSIUSCEV-KZFQQWRHSA-N 728.855 2.822 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc4ccccc4n(C)c3=O)C[C@@H]1NC(=O)CC2 1772714329 LYCKGOYDLMAEFM-YZNIXAGQSA-N 610.667 2.577 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772818863 ZRDNNZNWKOIIFZ-UJNZFSSTSA-N 755.913 2.850 0 50 KFAA COc1cc(C)c(C)cc1S(=O)(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1 1800430759 YMIMQGUJTRVPCJ-ZUKKLESISA-N 681.860 2.744 0 50 KFAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)C3(c4ccc(S(C)(=O)=O)cc4)CCCCC3)C[C@@H]1NC2=O 952856758 QNBYVNBKOKFRCI-LSYYVWMOSA-N 623.732 2.511 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)Cc3nc4nc(C)cc(C)n4n3)CC[C@@H]1OCc1cccc(c1)O2 1616108740 GIASKXQQZKEPMS-IZLXSDGUSA-N 627.702 2.863 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)C[C@@H]2Oc2ccc(cc2)CN1 1772714181 DSKQLAMPRMRVMD-ACHIHNKUSA-N 654.720 2.658 0 50 KFAA Cc1ccc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)c(=O)n1C 1772816721 ADYZXVSCJLMRCK-NVQXNPDNSA-N 645.742 2.551 0 50 KFAA Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1Cl 19831114 HDUXMNNEPQUVEI-UHFFFAOYSA-N 507.816 2.924 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cnnn3-c3ccccc3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857710574 FBQUTYALIFRMIQ-UDPMZSKESA-N 748.801 2.692 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1cccc(N)n1)CCCCNC2=O 1857699357 NYBGOKKMPNYFPJ-SSEXGKCCSA-N 632.718 2.896 0 50 KFAA COc1ccccc1-c1noc(CCC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)n1 2100533886 KCVKKEKTFPCXPH-RXAJMNEQSA-N 642.757 2.769 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccncc2)CCCC1=O 2356139380 WVTGFJSHZXDPHW-SSEXGKCCSA-N 533.673 2.657 0 50 KFAA CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 96095618 YNBYFOIDLBTOMW-IPTBNLQOSA-N 754.999 2.788 0 50 KFAA in-vitro CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497389 LODGFUDXZVUDFR-HHJUPYMQSA-N 589.575 2.687 0 50 KFAA N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 257355033 JUUZKZKBBSFAAT-LFNMYUDMSA-N 997.071 2.512 0 50 KFAA COc1ccc([C@H](CC(=O)NCCn2cnc3ccccc3c2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC 263586482 UWYZYELMSQDHGN-IBGZPJMESA-N 535.553 2.728 0 50 KFAA biogenic COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCc1c(C)noc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321443 OVRGBINXMZRPDQ-RLYYAAKVSA-N 732.879 2.624 0 50 KFAA Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 1875353240 NIPWQARYJJPCMP-UHFFFAOYSA-N 523.557 2.704 0 50 KFAA O=C1CN(C(=O)c2onc3ncccc23)CCCCOc2cccc(c2)[C@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2N1 2100533758 YXHJRRCMKMPMIB-RPBOFIJWSA-N 554.607 2.586 0 50 KFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)C2=O)cc1OC 409414856 PVBCZTCFSFRZCF-BDTNDASRSA-N 500.640 2.670 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1cc(OC)c3c(c1)OCO3)CCCNC(=O)CC2 952869067 VUQLMLALACJVIW-QFIPXVFZSA-N 612.724 2.509 0 50 KFAA COc1cccc2ccc(CN3CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c4csc(n4)[C@H](Cc4ccccc4)NC(=O)C3)nc12 1704324261 LWWSIXGQPCELIP-GWUYCQIBSA-N 756.930 2.838 0 50 KFAA O=C(NCCCN1CCOCC1)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2ccc(O)cc2)C1 14535929 KCYYZNBYYUIFMA-IZZNHLLZSA-N 520.674 2.796 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CCN)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952856537 LSFREMBSVXESCT-UIOOFZCWSA-N 538.645 2.693 0 50 KFAA COc1ccc(CC(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCCCC(=O)N3C2)cc1OC 1704321113 CNNXBTDUKZRQBY-XCHMNZSRSA-N 707.869 2.622 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccc1-n1cncn1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533061 XPBDUFQBZIHEQC-GDLZYMKVSA-N 614.707 2.711 0 50 KFAA COC(=O)C1=C(C(=O)OC)SC2(S1)C(C(=O)OC)=C(C(=O)OC)SC1=C2c2cc(OC)cc3c2N(C(=O)C3=O)C1(C)C 150347291 IWBNYGGPYWFLCB-UHFFFAOYSA-N 633.678 2.809 0 50 KFAA CC(=O)N[C@@H]1[C@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@@H](O)[C@@H]1O 245264686 DTQGGFOPSZLQAV-IZIHTVISSA-N 530.581 2.671 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cnn(C)c2)C[C@H]1C 888089110 IDCCBECPARKLKG-NQWLWARPSA-N 567.986 2.572 0 50 KFAA CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@](OC(C)=O)([C@@H](C[C@H]32)[C@@H]14)[C@H]5[C@H]6OC(C)=O 1772493092 BHOWLZWNBIHSFB-YROOEWCRSA-N 503.636 2.963 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccncc2)CC1=O 2356139453 YCDOFOCCBWJXIS-SSEXGKCCSA-N 533.673 2.657 0 50 KFAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(C(=O)c3cccc4c3OCCO4)C[C@@H]1NC2=O 2356162545 MSTQLNFCPBAOPT-DQEYMECFSA-N 557.603 2.867 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 2909516 LNWMZPBRIYMIMA-AFHVAHMMSA-N 508.552 2.514 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2cc(OC)c3c(c2)OCO3)CC(=O)N(Cc2ccc(OC)cc2)C1 14746298 HASRPFFTCBIZFM-HSZRJFAPSA-N 527.618 2.531 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 96022223 WFMMXMWVAJIZKH-LYRGBEMXSA-N 554.621 2.841 0 50 KFAA C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 139217659 RGMDMBNMKCOGME-OWLMGLOSSA-N 506.632 2.935 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)C[C@@H]1NC(=O)CN(C)C2=O 952862488 AKSYSZXROQTJRZ-RRPNLBNLSA-N 591.709 2.869 0 50 KFAA C[C@@H]1NC(=O)CCCN(Cc2nc3c(s2)CCCC3)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704315956 GFUSBTGKIOJVQG-YADARESESA-N 550.729 2.838 0 50 KFAA COc1ccc(CCC(=O)N2CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C2)cc1OC 1704321547 TWSCJACMEAJXAE-JOCHJYFZSA-N 592.697 2.672 0 50 KFAA CCn1cc(S(=O)(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)c(C)n1 1800430266 ACFPZHXTIUMJAZ-LPIXWXTCSA-N 793.988 2.504 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)CCc1c(C)noc1C)CCCNC2=O 2356134179 CAQQZAUOOMASCX-NDEPHWFRSA-N 595.701 2.687 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)C4CC4)C3)CN1C(=O)CC2 2356138243 JUWJMEHTGWKHRU-ZTCOLXNVSA-N 511.663 2.955 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 2298162 HPOWYITWDJQJNO-JUTHHCEFSA-N 510.568 2.530 0 50 KFAA CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)nnc1-c1ccncc1 2840851 DMTRSHZEZMJCOX-UHFFFAOYSA-N 510.605 2.990 0 50 KFAA COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 245228802 FTCLAIAXKAGMBI-AAIYONIQSA-N 598.557 2.931 0 50 KFAA CCc1ocnc1C(=O)N1CC(=O)N[C@@H](C(C)C)c2nc(cs2)C(=O)N[C@H](C)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc2ccccc2)C1 1704326359 AFBFFFAJUFJQBZ-MNWDEFRCSA-N 782.990 2.641 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)C[C@@H]2CCC(=O)N2)CCCNC(=O)c2csc1n2 1772817299 KAYQBXUTLCAGRM-IZVMNLJQSA-N 651.815 2.758 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)c2cscn2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857740559 JQSQPVOWAJYWAE-GOSISDBHSA-N 500.669 2.665 0 50 KFAA Cc1cc(C(=O)N2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)c2c(C)noc2n1 1857740570 KJWHTIAEVBHWSY-MHZLTWQESA-N 651.728 2.638 0 50 KFAA 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 14191207 SCVHJVCATBPIHN-SJCJKPOMSA-N 569.508 2.591 0 50 KFAA investigational COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccc(Cn4cnnn4)cc3)CC[C@@H]1OCc1cccc(c1)O2 952858945 JGXYORGOIARRMU-KYJUHHDHSA-N 625.686 2.962 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccno1)CCCCNC2=O 1857690602 GNGSWPXDFRYGDR-MUUNZHRXSA-N 607.664 2.907 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccccc2-n2cncn2)CCCC1=O 2356137072 QMZNVTSMXFISOS-MGBGTMOVSA-N 599.736 2.842 0 50 KFAA CCOc1ncccc1C(=O)N1CCCNC(=O)c2ccc(OC)c(c2)OCCn2nc(C)nc2[C@H](C(C)C)NC(=O)C1 2356138398 LPDRETAZBTWGAL-SANMLTNESA-N 593.685 2.557 0 50 KFAA COc1ccc(C(=O)N2CCCOc3cc(ccc3OC)-c3nc(c(C)o3)CNC(=O)[C@H](C(C)C)NC(=O)C2)c(OC)n1 1775976480 ALCNDFKBBYGVIC-SANMLTNESA-N 595.653 2.753 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccccc2-n2cncn2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857740263 KYACZZHOKAPWOR-AHKZPQOWSA-N 665.711 2.874 0 50 KFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3CCCNC(=O)CN(C)C(=O)c4nn(C)c5c4C[C@@H](CC5)N(CCC(C)C)C(=O)C3)c2)o1 1857740534 RSXFIZVRDREBRR-RUZDIDTESA-N 667.833 2.707 0 50 KFAA COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)c3cnn4cccnc34)CC2=O)cc1 14532068 XWKFBNDFZWXJGY-QFIPXVFZSA-N 503.534 2.947 0 50 KFAA CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]21C 256080198 PSOUXXNNRFNUAY-HRBZSGFNSA-N 654.882 2.507 0 50 KFAA COc1ccc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)cc1C 952865789 XLYBLULOEZBFFY-QHCPKHFHSA-N 596.725 2.729 0 50 KFAA O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)N1CCC[C@@H](n2c(O)nc3cccnc32)C1 1875351384 UFEMUDSXMGLIIM-LJQANCHMSA-N 554.563 2.614 0 50 KFAA COc1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc1O 2356134274 HCKQTHBNKBRVDV-HKLKAILGSA-N 504.631 2.839 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)[C@H]1CCCO1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356134870 GIJZTYYHZAERTQ-SKBHOOIQSA-N 574.704 2.519 0 50 KFAA CCCCC/C=C/C/C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O 4556714 GWNVDXQDILPJIG-PTKIJVEMSA-N 625.785 2.777 0 50 KFAA in-vitro OCCOc1c(I)cc(I)cc1I 100070106 IZEBAEPQVVNGLO-UHFFFAOYSA-N 515.854 2.872 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@H]2CCCO2)CCNC(=O)c2csc1n2 1772713296 GNVJLKLFNSPRTK-AWRGLXIESA-N 608.721 2.799 0 50 KFAA CCCn1c(CCC(=O)Nc2cccc(NC(=O)NC)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1875257408 UACOFACKYJGFMX-UHFFFAOYSA-N 528.635 2.790 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3cc(C)ccc3C)C2)nn1 14985969 VROWEQXSEDCFQS-AHWVRZQESA-N 520.609 2.985 0 50 KFAA CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 60272908 PAJWAARTNUUTKR-DRLSZQQQSA-N 615.202 2.979 0 50 KFAA CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c3c(c2)OCO3)c1O 253496567 PHKRNLNFRVWNHQ-MRXNPFEDSA-N 538.509 2.974 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3cnc(SC)nc3)C[C@@H]1OCc1cccc(c1)O2 952865000 KRJNYAAIQFCHFD-SVBPBHIXSA-N 636.731 2.859 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cccn2C)CCCCNC(=O)[C@@H](C)NC1=O 1704318697 RELQRPMDFHMSJZ-TZFWCWEWSA-N 642.801 2.954 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccc(OC)c(OC)c1OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704328385 ZRPMUPSVIDBEIH-FHFPRHJOSA-N 775.900 2.726 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCCc2nc(-c3cccnc3)no2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983881 UTTPSSPQEVRJAL-FWUCURJTSA-N 687.802 2.989 0 50 KFAA CCc1c(O[C@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O 1857801081 VBEJBERDNOPXME-LUSCGSNMSA-N 630.599 2.571 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 625771 BRPGXOOVRBWRMI-IGSWSUAKSA-N 522.579 2.741 0 50 KFAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)COc1c(Br)cc(Br)cc1Br 4552161 KHLMGQZXKFFEEE-ZETCQYMHSA-N 631.901 2.913 0 50 KFAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)COc1c(Br)cc(Br)cc1Br 4552162 KHLMGQZXKFFEEE-SSDOTTSWSA-N 631.901 2.913 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253617080 WSMQBJMPWPNLTJ-FUTSHQDRSA-N 742.639 2.698 0 50 KFAA CN1C(=O)N(C)C(=O)C(Cc2ccc(OC[C@@H](O)c3ccccc3)cc2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 263586546 VOYKGCIIGXHHRT-RGODFAACSA-N 584.673 2.659 0 50 KFAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)CCN3CCCCC3=O)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772703136 ZKWNICRQVSKDKP-CRYDVJBISA-N 774.960 2.519 0 50 KFAA Cn1ncc2c(N3CCN(C(=O)[C@@H]4C[C@H](n5cc([C@H]6CCCN6C(=O)OC(C)(C)C)nn5)CN4C(=O)OC(C)(C)C)CC3)ncnc21 2325879923 MHUHKXDGCSVZPT-ZTCOLXNVSA-N 651.773 2.926 0 50 KFAA COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 4099009 NRUKOCRGYNPUPR-QBPJDGROSA-N 656.662 2.753 0 50 KFAA fda COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(C)n3C)C[C@@H]1OCc1cccc(c1)O2 952864620 KEXIMVUCEVGMLT-YTMVLYRLSA-N 605.692 2.994 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1c(C)nn3c(C)cc(C)nc13)CCCCNC2=O 1857700874 AGTJKKKKUICJQM-UTEPZJLDSA-N 800.914 2.753 0 50 KFAA Cc1ccc2c(C)c(C(=O)N3CCc4c5ncn4CC(=O)NCCN(C(=O)CCCn4cncn4)CC(=O)NCCCOc4cccc(c4)[C@H]53)oc2c1 1857702405 ACFAONVNNCLEGZ-PSXMRANNSA-N 721.819 2.949 0 50 KFAA N=C(N)NCCC[C@@H]1NC(=O)[C@H](C[C@@H]2C=Nc3ccccc32)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)CCc2ccccc2)CCCNC1=O 98210308 YUIBSMOWXFHTBD-UQYZVXSCSA-N 839.055 2.583 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100839295 LMNGPZMPPLISAV-DJTCXORXSA-N 580.615 2.666 0 50 KFAA CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@]45CCN4CC=C[C@](CC)([C@@H]45)[C@@H](O)[C@@]3(O)C(N)=O)C2)C1 247964887 HHJUWIANJFBDHT-UUDYVIQPSA-N 753.941 2.732 0 50 KFAA CCn1ccc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)n1 1704317243 HVCZPIFJRFDDGF-SDDUWZMOSA-N 657.816 2.832 0 50 KFAA COc1cc2ccc1OCC(=O)NCCNCCCC(=O)NC[C@](CCC(C)C)(C(=O)NCc1ccccc1)C2 1775977031 FMWXSTLJOPLCCP-WJOKGBTCSA-N 552.716 2.971 0 50 KFAA O=C(N[C@H]1CCCN(C(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)C1)c1ccc(Cl)cc1 2325843401 DRCAMEIUJDRSJJ-MAUKXSAKSA-N 516.929 2.810 0 50 KFAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@H]3C2=O)cc1 230029533 DWYLCFZEMJWYFF-MRYOFQJCSA-N 563.614 2.574 0 50 KFAA COC(=O)c1nc(NC(=O)CNc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)sc1C 252533176 GDSYMJKXYXSUMH-LJQANCHMSA-N 596.662 3.465 0 50 KFAA CN(C)C(=O)N1CCC(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)CC1 1616071981 VNHQVYXHKCAFAC-WDYNHAJCSA-N 605.736 2.879 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2nnc3n2CCCCC3)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817189 IJVNVXWAMAFGBM-LVXARBLLSA-N 659.773 2.862 0 50 KFAA CCSCC(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)c2cc(CC(C)C)nn2CC)CC(=O)NCCCOc2cccc(c2)[C@H]31 1775977822 JVBLZDZCNHIBQN-UUWRZZSWSA-N 692.887 2.683 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)CCc2ccnn2C)CCNC(=O)COc2ccc(cc2OC)C1 1775982602 LZYIDVVGUMMUIW-XIFFEERXSA-N 627.783 2.823 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CCCCNC2=O 1857695481 LIKUGTUDRIBIBU-AUMPDRJASA-N 783.883 2.970 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccncc3F)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857714435 UOPFEJXFWSDONJ-AYRMRQSISA-N 700.728 2.645 0 50 KFAA CCOCC(=O)N1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CN(C(=O)c2ccc(F)cc2Cl)CCCO4)C1 1875241353 BHMFQQAPZDYQKB-RBTNQOKQSA-N 560.022 2.861 0 50 KFAA COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCN(C)CC3)CN(Cc3ccc(OC)c(OC)c3)C2)cc1OC 200553498 JZYLVVFECRZGOM-JWQCQUIFSA-N 540.705 2.723 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 263586577 VXHVFDQYSSFKAR-XKHQNFFVSA-N 622.840 2.900 0 50 KFAA COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 95739764 SFZVDNKTWPZIJG-JLUHPNADSA-N 664.833 2.793 0 50 KFAA COC(=O)c1c(I)c(N)c(I)c(C(=O)OC)c1I 135769711 ZHGAAXSHLQHKEP-UHFFFAOYSA-N 586.889 2.656 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)c3c(C)ncn3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857750 SRAVIYXFUXVROI-UIOOFZCWSA-N 545.640 2.842 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952865792 SYMWGDXULAFTNP-LOSJGSFVSA-N 517.586 2.523 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCCc2ccc(F)cc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704321553 UBHPHHICXNOGKI-GWUYCQIBSA-N 749.910 2.770 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(Cc2ccc(S(C)(=O)=O)cc2)CCCNC1=O 1704331244 LILKLCMLJVVRSO-NDEPHWFRSA-N 628.821 2.833 0 50 KFAA COc1ccc(S(=O)(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]3(CCCc4ccccc43)C(=O)NCC2)cc1 2356136232 LQOQNWBJPJVHGQ-WJOKGBTCSA-N 598.766 2.819 0 50 KFAA CC(=O)Oc1cc(C(=O)N(c2ccc(C)cc2)[C@H]2C=CS(=O)(=O)C2)cc(OC(C)=O)c1OC(C)=O 1158380 GIPIZBZSNJSBDW-FQEVSTJZSA-N 501.513 2.728 0 50 KFAA CCn1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 13959682 VQYRLSVJQTWMCF-WLGHQHAYSA-N 515.595 2.805 0 50 KFAA CSCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952862586 BZONQBJAQPPZTB-GOTSBHOMSA-N 571.103 2.609 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704322580 MEFMXYTXAZZJOV-FRJUPVQCSA-N 825.993 2.873 0 50 KFAA CCOCCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)c2ccc(cc2)C1 1704325153 XLNSOFZAXWUBDV-ZVUPFLOZSA-N 665.832 2.737 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)C3=Cc4ccccc4OC=C3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704342115 HEHCNXIJWHMLRA-CTZUUEIXSA-N 673.811 2.731 0 50 KFAA CCNC(=O)[C@H](c1cnc(=NC)[nH]c1)N(C(=O)c1snc(C)c1N)c1ccnc(Sc2ccccn2)c1 2325823516 VRQPUWSDLMGGRO-FQEVSTJZSA-N 535.659 2.753 0 50 KFAA C[C@@H]1NC(=O)CN(C(=O)c2cccnc2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356135837 VJMCFVIXIJDDGW-NRFANRHFSA-N 553.623 2.872 0 50 KFAA COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426622 LPZUFHLMUOJUJX-IMFGXOCKSA-N 520.538 2.550 0 50 KFAA biogenic Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3cnc(N4CCOCC4)nc3)C[C@H]1NC(=O)CN(C)C2=O 1615709066 PBYRFDZTRICTPR-IZLXSDGUSA-N 586.693 2.775 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@H]1CCCN(C(N)=O)C1)CCCNC2=O 1704321818 AUCCLQUDMALBKL-FQEVSTJZSA-N 569.634 2.776 0 50 KFAA Cc1ccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(C(=O)O)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n1C(F)F 1772700225 AECAWJZQMBRYAA-GMAHTHKFSA-N 568.533 2.600 0 50 KFAA O=C(CCc1cccnc1)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952859217 OJLYEAIRJYNVQH-UHFFFAOYSA-N 502.619 2.599 0 50 KFAA COc1ccc(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)cc1F 1772701636 GIQFXVVKOGRBIE-VIZCGCQYSA-N 635.741 2.718 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cccc(N(C)C)c2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775982722 OGWLDCIMHBVOFF-ZTOMLWHTSA-N 619.767 2.901 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ccccc2-n2cncn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100534235 ZHPXIPKTUCWENT-AREMUKBSSA-N 584.681 2.703 0 50 KFAA Cc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC[C@@H]4CCCO4)cc3)c(=O)c3ccccc32)cc1 8593502 OYBJXCNQOYJXSD-DEOSSOPVSA-N 526.593 2.937 0 50 KFAA O=C1CN(C(=O)c2ccc(Cn3cnnn3)cc2)C[C@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14747435 RKBNPYQZUPLDEQ-HHHXNRCGSA-N 528.588 2.973 0 50 KFAA O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCOc2cccc(CN3CCOCC3)c2)CC1 20997514 VHOAMWUSBZIXQS-UHFFFAOYSA-N 513.582 2.923 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)CCN3CCCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952862585 PFAMRFKUOJUNSZ-WUFINQPMSA-N 576.694 2.888 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@H]1CC(=O)N(C)C1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857725586 DMBOAFOZDJYVTA-DEOSSOPVSA-N 545.640 2.579 0 50 KFAA O=C1NCCCN(C(=O)c2ccc(Cl)cn2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 2356135896 XPAZGQKESYYBOF-LPOPLRKUSA-N 508.022 2.814 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CC3CCCC3)C[C@@H]1NC2=O 1704318868 SWANOMHCPOGZTH-DHLKQENFSA-N 507.587 2.672 0 50 KFAA Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1C(=O)NCCCCN(C(=O)Cc1cccnc1)CCCN2C(=O)CC(C)C 1704342774 PXXLBPFTQZAAEV-DQEYMECFSA-N 566.703 2.516 0 50 KFAA COc1ccc2[nH]c(CN3CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](C(C)C)c4nc(C)nn4CC(=O)NCC3)c(C)c2c1 1772713990 XWONNMBOKFICSW-MZPAXQNMSA-N 713.884 2.843 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(O)nc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818033 LWMUQCXJFRSKHZ-CPJSRVTESA-N 617.688 2.645 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)CCc3ccc(O)nn3)CC(=O)N1CC2 1704321823 GISUEDLIJXVTNZ-SSEXGKCCSA-N 562.623 2.544 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccccc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857703734 QPZDCVSLZRZDQX-KNHXXRFOSA-N 637.741 2.813 0 50 KFAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC(=O)NC[C@@](CC3CC3)(C(=O)OCC)Cc3ccc(OC)c(c3)OCC(=O)NCC2)cc1 1857705823 XEEJEPUDGXRVRB-DHUJRADRSA-N 700.855 2.823 0 50 KFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC(=O)NCCNc4ccnc(c4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC3)c2)n1 1857741380 PRHQIFNGXBNXHB-YTTGMZPUSA-N 650.784 2.865 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1875240762 ZARVJPNXABDYGY-AHKZPQOWSA-N 665.711 2.874 0 50 KFAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccc(Cl)cc1OC)CCCNC2=O 952864160 IWUOIZUYTOTKDA-IBGZPJMESA-N 589.089 2.755 0 50 KFAA C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CCCCN(C)C1=O 952865097 MLNZSDGWRUKSRH-IBGZPJMESA-N 592.615 2.738 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccc4c(c3)CCCO4)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321142 FALGZTAOXQPERE-RVQNBHMFSA-N 677.843 2.868 0 50 KFAA CCOc1ccc(C(=O)N2CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC)C2)cc1Cl 1704323225 CTISKZVUDGSOTM-PSAFMIEJSA-N 642.197 2.852 0 50 KFAA COCCC[C@]1(C(=O)N2CC(c3ccncc3)C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705902 ZWWZFNWEDBLAMD-UUWRZZSWSA-N 610.715 2.951 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cc(C)n(C)n1)CCNC2=O 1857724692 NCLYHEMYYZLRSI-MUUNZHRXSA-N 614.707 2.774 0 50 KFAA Cc1c(NS(=O)(=O)c2ccc(C(=O)Nc3cnc4c(c3)C[C@@H](N)CC4)cc2)c(=O)n(-c2ccccc2)n1C 2325861356 NQTRJIJKKDJJBO-FQEVSTJZSA-N 532.626 2.749 0 50 KFAA COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccc4ccccc4n3)N(Cc3ccc(OC)c(C)c3)C2)c1C(=O)OC 101969990 PSEWRYBQFZSHGZ-UPVQGACJSA-N 572.622 2.849 0 50 KFAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2C(=O)c1ccc(OC)cc1 253387963 YRECILNLFWZVRM-UAMSSOMESA-N 627.775 2.989 0 50 KFAA biogenic O=C1N[C@H]2CN(C(=O)CCc3nc4ccc(F)cc4[nH]3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952862392 IXZZSJDXJZMIIB-UPVQGACJSA-N 568.009 2.888 0 50 KFAA Cc1ccncc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714505 UDKPEZGZOGVGLR-NSOVKSMOSA-N 556.619 2.889 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2ccc(OC)nc2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857688904 CABHTGTZJFWDKQ-REDDFQDCSA-N 750.825 2.709 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cnc[nH]3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952857982 YQOCZJXVBOIPEN-IGKIAQTJSA-N 559.623 2.674 0 50 KFAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCCOc4cccc(c4)CC[C@@H]4CCCCN4C(=O)C3)cc21 1857703354 JHIQNIVBHCZDOU-FQEVSTJZSA-N 513.616 2.919 0 50 KFAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCOc4cccc(c4)CC[C@@H]4CCCCN4C(=O)C3)ccc21 1857705737 SVVBEEQYUCXGHZ-NRFANRHFSA-N 526.659 2.664 0 50 KFAA COc1ccc2c(c1)c(C(=O)N1CCCC(=O)NCCNc3ccnc(c3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC1)c(C)n2C 1857741035 ZDGMFNHJQVCFOQ-LJAQVGFWSA-N 639.757 2.812 0 50 KFAA Cc1c(-c2cc(C(=O)N3CCCNC(=O)c4nn(CCC(C)C)c5c4C[C@@H](CC5)NC(=O)CCC3)no2)cnn1C 2100533345 LBXMNXQLWDMCMT-HXUWFJFHSA-N 564.691 2.656 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N[C@@]4(c5ccc(OC(F)F)cc5)CCCOC4)ccc3C2=O)C(=O)N1 2325901510 JDFOBUBIAXKPEB-FNZWTVRRSA-N 528.512 2.876 0 50 KFAA O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 59626883 NAZBHHIIWJSDEL-UHFFFAOYSA-N 575.739 2.571 0 50 KFAA COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O 263586845 YOWHUAIBMGBLGO-NRFANRHFSA-N 563.607 2.806 0 50 KFAA biogenic O=C(O)CCOCCOCCOCCOCCONC(=O)OCC1c2ccccc2-c2ccccc21 575419737 QJSNUHJABIFADD-UHFFFAOYSA-N 503.548 2.998 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCn1cnc3ccccc31)CCCNC(=O)CC2 952856673 AAMLCIBECMTRSR-DEOSSOPVSA-N 620.751 2.538 0 50 KFAA COc1cccc(C(=O)N[C@H]2CCCNC(=O)COc3cc(ccc3OC)CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)c1 1704318872 SXEVCFODMLHOES-HGSAKIFSSA-N 715.848 2.708 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)c1cncnc1O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857702233 FQNFTMYYYCZJGB-FKAPRUDGSA-N 767.840 2.896 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)c3cnn4ccn(C)c34)C[C@@H]21 1875241665 DRFOZOFGNSKJSV-VQTJNVASSA-N 501.543 2.850 0 50 KFAA CCOc1cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 150346847 UAEGQJQDPSCBEA-UHFFFAOYSA-N 718.652 2.920 0 50 KFAA 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 226393350 ZJZIJNIHLGQSQC-DFHBCGBQSA-N 543.096 2.795 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)[C@H]2CCCO2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704324374 NPEABKVSJTWYLO-AHKZPQOWSA-N 595.100 2.769 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1c(C)nn3ncccc13)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775983793 BZDVDBMMQAUKFQ-MHZLTWQESA-N 589.653 2.692 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2nc3ccccc3n2)CCNC(=O)COc2ccc(cc2OC)C1 1857697066 SYWWASJVCOCBLA-UMSFTDKQSA-N 650.777 2.902 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2cccnc2)CCNC(=O)COc2cc(ccc2OC)C1 1857702120 AOMNDAWDFYMJRF-HKBQPEDESA-N 566.699 2.890 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)CNc1cccnc1)CCNC2=O 1875242450 UAUBSGPKYOSOQE-SSEXGKCCSA-N 626.718 2.925 0 50 KFAA COc1ccc2cc1OCCCN(Cc1ccccn1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533256 HUDVZLRTKLKZPG-HHHXNRCGSA-N 534.661 2.886 0 50 KFAA Cn1ccnc1[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccccc1F 2325825707 ZWXMFKXPLVYDLM-GOSISDBHSA-N 508.373 2.580 0 50 KFAA COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCCC(=O)O)cc2ccccc12 4545854 QFJWKXYGBSQMDX-FHAGJXEFSA-N 576.650 2.779 0 50 KFAA in-vitro COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@H]1CCCNC1)CCCNC2=O 1704316563 VBOZMIRUNZGSJF-FQEVSTJZSA-N 526.609 2.985 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)CCCNC2=O 1704321819 AUCCLQUDMALBKL-HXUWFJFHSA-N 569.634 2.776 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@@H](N)c2ccccc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817063 FZVOXNKMSKJUSQ-CAVYSCNFSA-N 629.743 2.930 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2c(Cl)cnn2C)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817921 JITFOYLHVPBNSK-CVDCTZTESA-N 639.138 2.931 0 50 KFAA COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CCOCC1 2325899254 XTNRQDNJIIHDTA-NRFANRHFSA-N 541.004 2.980 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCN(C)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952855899 OOCWQWZMTLALDZ-CONSDPRKSA-N 621.779 2.982 0 50 KFAA Cc1ccn(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)n1 1615706561 BMLFZCNFRQPEIR-SXOMAYOGSA-N 545.640 2.691 0 50 KFAA Cn1ccnc1CN1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)Cc2ccc3c(c2)OCO3)N(C(=O)c2ccccc2)CCC1 1704344405 NELDRCWSTXRHLO-SVBPBHIXSA-N 600.720 2.606 0 50 KFAA Cc1ncoc1C(=O)N1CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)C1 2356134771 BMOKVHIHAITKIV-FQEVSTJZSA-N 557.611 2.774 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ncccc2O)CCCCNC(=O)[C@@H](C)NC1=O 1704306607 QDUIUGGZOJTQPA-OFQAEJFBSA-N 656.784 2.716 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2cccnc2)CCNC(=O)COc2cc(ccc2OC)C1 1857702121 AOMNDAWDFYMJRF-WJOKGBTCSA-N 566.699 2.890 0 50 KFAA Cc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Br)c1 1127563 DTERKUHQCIOQNU-UHFFFAOYSA-N 528.450 2.670 0 50 KFAA COc1ccccc1N1CCN(C(=O)CCS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1 102839922 IKJYQPWQHCJSFM-UHFFFAOYSA-N 550.475 2.879 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)CC(C)C)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704318571 PJMLOUVLNMMOIP-DWOZXFSFSA-N 743.997 2.823 0 50 KFAA CC(=O)OCC1=C[C@H](O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(OC(C)=O)=C(C)[C@@H](OC(C)=O)C[C@@H]1O)C2(C)C 1772820297 ARCDGVGZYWJKDA-ARLJFNNLSA-N 594.654 2.596 0 50 KFAA COc1cc(C(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)ccc1F 2356136173 JILXRTKORBQDHL-APLXEUBXSA-N 520.605 2.913 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 631672 ZUDAFFYMDWQVBX-VVNKCDPRSA-N 552.605 2.749 0 50 KFAA CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@H]3CC[C@@]5(C)O)[C@@H]12 253389772 CBJPQVLGEQCRAI-RWIBUUIUSA-N 639.786 2.800 0 50 KFAA biogenic COCCN1CC(=O)N[C@H]2CN(Cc3ncc(C)c(OC)c3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952862174 MHYXLQUBDQMEIW-NSOVKSMOSA-N 575.666 2.882 0 50 KFAA CCCc1ccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)o1 952864672 OCCBGELZGKZVKY-SANMLTNESA-N 518.662 2.896 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)CCc2c(C)nn(C)c2C)CCCNC1=O 1704323685 SWYPCPZAVCICFD-NDEPHWFRSA-N 624.812 2.739 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(-c4ccccn4)[nH]n3)C[C@@H]1NC(=O)CC2 1772702836 JDCZPKTVUKRXPY-WNJJXGMVSA-N 596.644 2.510 0 50 KFAA O=C(N[C@H](CO)[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 2325851325 WKPRDNKQMGLQKT-HSALFYBXSA-N 531.856 2.856 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@@H]2SC1 15947426 CDTUWTAKKZRSFM-GCJKJVERSA-N 520.947 2.736 0 50 KFAA CC[C@H]1CN(C(=O)c2csc(Cc3ccccc3)n2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704317999 MNPUKNNJXCCIKT-OHXOMFROSA-N 660.841 2.848 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(CCCc2ccccc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704319576 XGPBAOHPSMOVKJ-DSAOOHFSSA-N 703.910 2.714 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704327246 QHOMMTYLSOJTQS-VQJPNMBPSA-N 763.896 2.723 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775978363 MZOYBPBKCJGNNT-HJIQQCSTSA-N 811.966 2.626 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cc(-c3ccccc3O)[nH]n1)CCCCNC2=O 1857707259 KNDDWDCPNLJTKY-YDHMPYFVSA-N 799.882 2.880 0 50 KFAA Cc1cc(C(=O)N2CC(=O)N[C@@H](C(C)C)c3nc(cs3)C(=O)N[C@H](C(C)C)c3nc(c(C)o3)C(=O)N[C@H](C)C2)no1 2356136298 OCIZPBZNBQQDEH-IFZYUDKTSA-N 585.687 2.951 0 50 KFAA COC(=O)c1cc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1Cl 59758363 ABRUPDFOTMUCGC-QHCPKHFHSA-N 578.068 2.829 0 50 KFAA COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C[C@]5(C)[C@@H](CC[C@]5(O)[C@H](COC(C)=O)OC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257348992 KQDOGCHGRZLHOM-YJASXRBGSA-N 766.834 2.512 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccc(=O)n(C)c1)CCCCNC2=O 1857698940 BDFCPKOHKBOSJB-WJOKGBTCSA-N 647.729 2.618 0 50 KFAA Cc1nc(C)c(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)CC(c4ccccc4)c4ccccc4)C(=O)N3C2)s1 1857704975 NCAIWPSGGVQRGV-ZRJFKUPHSA-N 716.861 2.816 0 50 KFAA COc1cc(C(=O)N2CCCCN(C(=O)C[C@H]3C(=O)N(C)C(=O)N3C)CCCn3ccnc3-c3ccc(OC)c(c3)OCC2)ccn1 2100534155 WAAMPROKXYTVAY-VWLOTQADSA-N 647.733 2.779 0 50 KFAA CC(=O)c1ccccc1OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22916817 JZPWTQMZUSYHQA-JOCHJYFZSA-N 501.583 2.696 0 50 KFAA COc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc(OC)c1OC 59612644 IETCZZGVQDWXIV-UHFFFAOYSA-N 560.032 2.892 0 50 KFAA CCCCC/C=C\C/C=C/C=C\C=C/[C@H](SC[C@@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)O 64858812 INRWBYPYKPHQHS-OHCIMXKISA-N 623.769 2.831 0 50 KFAA in-vitro CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c2cc3c(cc21)OCO3 334160416 DKNUHRJQLWSHBX-RUZDIDTESA-N 505.571 2.928 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCCn3cncn3)C[C@@H]1NC(=O)CN(C)C2=O 952861522 CGTCFSNEYPUYGL-LOSJGSFVSA-N 546.628 2.547 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cccc(O)n2)CCCCNC(=O)[C@@H](C)NC1=O 1704339709 JOWUTBPMCSVDJU-NRSKXHDUSA-N 656.784 2.716 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)CCc2ccc3c(c2)OCO3)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714367 NLCADHQXUKAWHH-BKMJKUGQSA-N 684.754 2.775 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325901575 LXCMUEQXSSWESK-JWQCQUIFSA-N 586.670 2.819 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 1195567 AAEPTFHTHHQVCA-LYFUXTGPSA-N 543.395 2.995 0 50 KFAA O=C(Nc1nnc(CCOCCOCCc2nnc(NC(=O)c3ccco3)s2)s1)c1ccco1 8828594 RJCNKATULNIQMM-UHFFFAOYSA-N 504.550 2.899 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253530373 VXHVFDQYSSFKAR-MLCRBWKWSA-N 622.840 2.900 0 50 KFAA biogenic CCOC(=O)C1=C[C@H]2C=C[C@@H]([C@@H]1C(=O)OCC)[C@@H]1C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@]21OCC 254308794 RXNVFICWEXYGQG-UNOHGAHQSA-N 646.686 2.722 0 50 KFAA CC(=O)N1CCC(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)CC1 952857161 PUKRMAFOUHIUKX-URLMMPGGSA-N 576.694 2.744 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)Cn1c(C3CC3)nc3ccccc31)CCCNC(=O)[C@@H](C)NC2=O 1704323200 AYVYAQNTYQPIQI-JOCHJYFZSA-N 598.708 2.950 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cc(C)on3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324230 ZCQUNIIENAMGRY-YLWLEFGESA-N 798.942 2.560 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cc(N)n[nH]2)CCCNC(=O)c2csc1n2 1772818030 WTZUWYCIQLIJNW-UUOWRZLLSA-N 635.776 2.708 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(S(C)(=O)=O)c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857713081 CZGNAUIGHNAFET-BBOYKMRHSA-N 759.842 2.515 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100839431 OAMQRWBHKOAHPO-ZDGAQAAHSA-N 552.605 2.749 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952856310 XPTBIEXSFDBHLU-WUFINQPMSA-N 618.735 2.947 0 50 KFAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCCc2ccc(F)cc2)C[C@@H](c2ccccc2)NC1=O 1704325954 PQBURCIHLLYHEE-LMWOMLOISA-N 710.807 2.523 0 50 KFAA CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C 3930376 WOZSCQDILHKSGG-UHFFFAOYSA-N 501.477 2.703 0 50 KFAA biogenic,fda CC(C)[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cccc1F 25668324 OOBJCYKITXPCNS-NZQKXSOJSA-N 513.497 2.875 0 50 KFAA COc1ccc2[nH]cc(CCNC(=O)[C@@H](NC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(C)C)c2c1 225419220 WTZDJDXWYMMDTH-FXABVQRQSA-N 505.619 2.850 0 50 KFAA biogenic CN(C)CCCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952857462 UOEGBUCSCBFBOK-UIOOFZCWSA-N 596.132 2.588 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cn3cc(Cl)ccc3n2)CCNC1=O 952861684 FFXGJIUDYJIIFM-HSZRJFAPSA-N 611.078 2.757 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(C)=O)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857698662 CGDRWWKYUJNPEA-QFIPXVFZSA-N 542.608 2.900 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CNCC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616092567 ZTCYFTOAILTPMD-RPWUZVMVSA-N 511.619 2.662 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3cc(-c4ccccc4)nn3C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322667 OFILLCYNVZXXAP-YKTXNGGMSA-N 701.869 2.943 0 50 KFAA COc1ccccc1-n1cc(CN2CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C2)cn1 1704330307 BAPBVGHICZNVSW-HSZRJFAPSA-N 586.697 2.890 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)CCc2cc(Cl)no2)CCCNC(=O)COc2ccc(cc2)C1 1775979271 ZDLAWYWFAIEPJQ-SSEXGKCCSA-N 621.131 2.713 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccc(-n3cnnc3)c2)CCNC(=O)COc2cc(ccc2OC)C1 1775980383 ADEINPCBZICMRF-UUWRZZSWSA-N 646.745 2.715 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CCc3ncnn3C1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857725049 UCXJQBBCCQKGDY-RUZDIDTESA-N 569.666 2.955 0 50 KFAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(Cc3cc4c(cc3Cl)OCO4)CCCC1=O)C2 1875240718 GSZSOJWGUIDKND-NRFANRHFSA-N 601.148 2.628 0 50 KFAA COc1ccc([C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1Br 2325860513 KMIUWESGFWCTLC-IAQYHMDHSA-N 522.425 2.566 0 50 KFAA O=S(=O)(O)CCOc1c(I)cc(I)cc1I 101014555 XGVCLTMSJWTDLP-UHFFFAOYSA-N 579.919 2.767 0 50 KFAA COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccccc3OC)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 263586333 SSAKRCIAUGIXDA-GYWHWRDRSA-N 556.619 2.797 0 50 KFAA biogenic CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc(Cn3cnnn3)cc2)CCCCNC(=O)[C@@H](C)NC1=O 1704321290 HGQQZOQJNWUHBQ-LKDIDBIPSA-N 721.863 2.651 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCS(=O)(=O)c2ccccc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533763 ZDIVIKCRWFHJSY-HHHXNRCGSA-N 609.749 2.672 0 50 KFAA Cc1cccc(N2CCN(C(=O)CN3C(=O)COc4ccc(S(=O)(=O)N5CCCCCC5)cc43)CC2)c1C 8604039 DEOJPMYMFLQCBX-UHFFFAOYSA-N 540.686 2.942 0 50 KFAA CCOC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3c(C)nn(C)c3C)C4=O)CC2)C1 11913115 FXSNUXORUIPKPJ-OAQYLSRUSA-N 535.645 2.851 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cncc(O)c2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817662 PZZJEPKJWOEXJU-OFVILXPXSA-N 617.688 2.645 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)CCS(C)(=O)=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857700607 FLCDKNLZCMIXRD-HVNZXBJASA-N 779.913 2.522 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2ccnc(C)n2)CCNC(=O)COc2cc(ccc2OC)C1 1857707115 ZYNKGHHHMRKNGR-WJOKGBTCSA-N 581.714 2.593 0 50 KFAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2scc3c2CCCC3)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952862409 MMLJHTJAGUCDCI-UIMUBZIISA-N 697.899 2.503 0 50 KFAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1cc3cc(C)ccc3[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952865033 MHZWBZYMQHDFTM-DPGKKZRPSA-N 734.895 2.752 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2cc(F)ccc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc1n2 1704323871 ILLKSBPRQYYILE-XCVXUIKGSA-N 720.828 2.697 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3c(C)nc4sccn34)C[C@@H]1NC(=O)CC2 1772713512 OLUHYCISMWKCGA-DHLKQENFSA-N 589.674 2.742 0 50 KFAA CCC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)CN(CC2CC2)C(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1772714373 NTJVHXUNPICSKI-RNNJVSDQSA-N 677.843 2.527 0 50 KFAA CCOC(=O)C12C(C)=CC(C)([C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]12 169617374 BVJDYHYRDSMKSB-VKFHGQHMSA-N 614.607 2.978 0 50 KFAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)C3(Cn4ccnc4)CC3)C[C@@H]2N1 952865120 NAXASFGGZVKZHR-KYJUHHDHSA-N 615.731 2.915 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)CCn2cccn2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322390 GLOHJJWYLXYCIV-AOHYXGPVSA-N 687.842 2.597 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3scnc3C)C[C@@H]1NC(=O)CC2 1772817155 ICSNCOHTIZQUQT-DHLKQENFSA-N 536.654 2.850 0 50 KFAA Cc1nn[nH]c1C(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1772818538 TZLNRJHVLDZICS-CVDCTZTESA-N 635.776 2.829 0 50 KFAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857740893 RRXXBPDRXZZEFB-XZOQPEGZSA-N 533.604 2.859 0 50 KFAA Cc1cc(C(=O)N2CCCOc3cccc4c3OC[C@@]3(CNC(=O)C2)CN(C(=O)c2sc(C)nc2C)C[C@@H]43)no1 1875240163 KFKQRQMFIFKSQR-WTYVLRPYSA-N 565.652 2.716 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)Cc4cccc(F)c4F)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533336 KRSDGGFETGQHCL-XLUPFTGTSA-N 566.649 2.599 0 50 KFAA CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCCCN5CCCC5=O)C4)c3C2=O)CCO1 12247549 GKYRIJDYVHKSCI-WOJBJXKFSA-N 510.635 2.585 0 50 KFAA CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(I)c(OCC(=O)OC)c(OCC)c1 59627298 CLDFFSCJTVJHOF-INIZCTEOSA-N 534.372 2.598 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCCn1cncn1)CCCCNC2=O 1857703701 WYBLAAPRWZJKLC-WJOKGBTCSA-N 649.749 2.677 0 50 KFAA Cc1ncsc1C(=O)N1CCCNC(=O)[C@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2c2cccc(c2)OCC1 1875240717 GRKHGUWAKKYLGA-RPWUZVMVSA-N 533.654 2.672 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325901813 ZWMSCRNDPWZAHL-CLJLJLNGSA-N 586.670 2.819 0 50 KFAA O=C(CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 97950304 QZIWNLDEEAZETN-NEOPOEGOSA-N 547.560 2.631 0 50 KFAA in-vitro COCCCN1CC(=O)N[C@H]2CN(Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 952857830 QAOYKJYNVYCBMY-RRPNLBNLSA-N 576.698 2.988 0 50 KFAA CC(C)Nc1ncc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cn1 1772713279 BWBNDGPCANEFKZ-NSOVKSMOSA-N 600.676 2.796 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1sc3[nH]cnc(=O)c3c1C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533079 YNOMVKLXIWBIRV-DEOSSOPVSA-N 669.764 2.934 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cccc(S(C)(=O)=O)c1)CCCCN(C(=O)[C@H]1CCc3nn(C)c(=O)n3C1)CCCn1ccnc1-2 2100533751 YLRMFBACSAUIAX-MHZLTWQESA-N 705.838 2.654 0 50 KFAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)CCc3nc(-c4ccncc4)no3)CC[C@H]1O2 2356161604 BHDMBBUBHBHBQW-IZZNHLLZSA-N 626.670 2.868 0 50 KFAA Cc1nc(C)c(CC(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)c(O)n1 1704335109 LGHAPWLIBJHVLM-JHIPEVQNSA-N 699.853 2.657 0 50 KFAA COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225425934 HSBBIFBWTCXIQB-IMFGXOCKSA-N 552.580 2.544 0 50 KFAA biogenic COc1ccc([C@@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263588772 YEGISIFXFZAXHH-LJQANCHMSA-N 524.574 2.777 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cccn4cnnc34)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952859356 RWXFVNZYTUBAKQ-WNJJXGMVSA-N 610.671 2.993 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)CN1CCN(c3ncccn3)CC1)CCCNC2=O 1704326599 IWUIBPANIGMGPJ-UHFFFAOYSA-N 619.698 2.597 0 50 KFAA COc1ccc(CN2CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C2)cc1Cn1cncn1 1875240920 JCYGTTHVLZFAPH-XMMPIXPASA-N 504.635 2.727 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 146158588 MPYUTOYNCCRZAC-TWFMJERGSA-N 556.527 2.742 0 50 KFAA COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 257198448 XHCIZLWHEPIQDR-DKWYVDORSA-N 656.593 2.856 0 50 KFAA biogenic,in-vitro CCc1cc2c3c(c1)C(CN1CCN(C(=O)[C@H]4COc5ccccc5O4)CC1)=CC(C)(C)N3C(=O)C2=O 334160752 LQKCBIUQDLPWOR-XMMPIXPASA-N 501.583 2.938 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2csc(Cc3ccccc3)n2)C[C@H](Cc2ccccc2)NC1=O 1704318572 OGQPMSYZBURODV-DEZZVHNJSA-N 658.825 2.554 0 50 KFAA COCCC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1857688879 UIYMJWWMYJCIPO-JSRYUEOTSA-N 689.858 2.815 0 50 KFAA CCOCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@@H]2C1 1616123172 VGWJMTPVBOGYQP-RPBOFIJWSA-N 509.603 2.522 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)C3CCOCC3)CCCNC2=O)N(C(=O)c2ccc3c(c2)CCCO3)C1 1704321467 PUQWCDQZEBFKJJ-VMPREFPWSA-N 662.784 2.967 0 50 KFAA COCCC1CN(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H](c4ccc(F)cc4)C3)cc2S(N)(=O)=O)C1 2325823328 NPVOBSFFORNVLR-PZJWPPBQSA-N 525.668 2.951 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccccc3C)C2)nn1 12457369 LBXRCGAYUMFMOS-ZCYQVOJMSA-N 506.582 2.677 0 50 KFAA CC(C)Oc1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1 253406693 JDKKMTWZUQODLT-QMHWCDLVSA-N 519.598 2.921 0 50 KFAA biogenic CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)CCn2cccn2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322389 GLOHJJWYLXYCIV-ALPFSRSFSA-N 687.842 2.597 0 50 KFAA O=C1NCCN(C(=O)CCn2cnnc2)CCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]12 1875242035 KGBHTDRJXMLNQM-RPBOFIJWSA-N 551.047 2.605 0 50 KFAA COc1ccc(S(=O)(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@]3(CCCc4ccccc43)C(=O)NCC2)cc1 2356136231 LQOQNWBJPJVHGQ-HKBQPEDESA-N 598.766 2.819 0 50 KFAA Cc1cc(-c2ccc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c(CN3CCOCC3)c2)c2ccccc2n1 15001889 SBTLOADTPVSUEV-QFIPXVFZSA-N 509.628 2.725 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cnc(N3CCCC3)nc1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864233 MLFKYRARXPCOKY-PMERELPUSA-N 653.788 2.662 0 50 KFAA Cc1cc(C(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)c4cnc5ccccc5n4)C[C@@H]3C(=O)NCC2)no1 1875240380 BUDDVPISOVNPSC-PKTZIBPZSA-N 554.607 2.823 0 50 KFAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@@H](C2CC2)[C@@H]1Cn1cc(-c2ccc(Cl)cn2)nn1 2325843234 ZZHGTNBJALLALI-AVRDEDQJSA-N 541.033 2.855 0 50 KFAA CCCCC/C=C\C/C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 40164471 GWNVDXQDILPJIG-CCHJCNDSSA-N 625.785 2.777 0 50 KFAA endogenous,in-man COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4 43450324 HYFHYPWGAURHIV-YDEMYLEWSA-N 545.629 2.581 0 50 KFAA biogenic,fda CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@H]21 96372396 HAVVIXOQRJHQMM-SCFUHWHPSA-N 507.544 2.913 0 50 KFAA in-vitro O=Cc1ccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)cc(F)c2F)cc1 169722856 VSRWMAATCHEJKU-UHFFFAOYSA-N 897.906 2.980 0 50 KFAA CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1 254112288 DAIKHDNSXMZDCU-GOHWNWGWSA-N 525.602 2.659 0 50 KFAA biogenic COC1CCN(C(=O)c2cc3cc(c2)C(=O)N[C@H]2CN(C(=O)Cc4ccc(F)cc4)C[C@@H]2Oc2ccc(cc2)CNC(=O)CO3)CC1 1772704192 RYOGBUPZHCXLBC-CONSDPRKSA-N 644.700 2.716 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CCNC(=O)COc2cc(ccc2OC)C1 1857701872 WHSKJGQDAUENID-UUWRZZSWSA-N 646.745 2.920 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCc1ccccc1-n1cccn1)C2 1857704480 TYSDKBAGBSCABX-MGBGTMOVSA-N 602.736 2.521 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc(N3CCOCC3)cc1)CCCNC2=O 2356137624 SCAAAGGZWNAYMI-PMERELPUSA-N 633.750 2.600 0 50 KFAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)ccc2-3)C[C@@H](C)O1 11852070 ONYWOCHJPPNYRB-MKXGPGLRSA-N 520.673 2.854 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 22107804 QFBJDBGFVJIUBK-FJWZAKCXSA-N 522.579 2.602 0 50 KFAA COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@H](O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2O)cc1 163740427 LCONRKMFLXPTDC-QGCGULMNSA-N 655.708 2.746 0 50 KFAA CC(=O)O[C@@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@H](O[C@H]5C[C@H](O)[C@H](O[C@@H]6C[C@H](O)[C@H](O[C@@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 253505851 NEBPBFLVSYFRQE-MCIGIGCISA-N 822.986 2.789 0 50 KFAA CC(C)n1cc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cn1 1772701094 BRPWVSGCBVWTFO-NSOVKSMOSA-N 573.650 2.963 0 50 KFAA CCOCC(=O)N1CCC(C(=O)N2CCNC(=O)CCc3cc(OC)c(OC)c(c3)-c3ccc4c(c3)[C@@H](CCO4)NC(=O)CC2)CC1 1857723888 AXZQOHYNZYRQQU-MUUNZHRXSA-N 650.773 2.867 0 50 KFAA Cc1nc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)[C@@H]3CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc5ccccc5)C(=O)N3C4)cc2o1 2100533655 DACKSKKHAIRGRS-YIYLITLGSA-N 571.678 2.841 0 50 KFAA COC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 2325874684 XBUZXCZZMSGITC-GFCCVEGCSA-N 540.616 2.844 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC 706685 OLHWOCDKJXJGIT-YOURIZNBSA-N 508.552 2.544 0 50 KFAA Nc1c(I)cc(I)c(C(=O)O)c1I 4235679 QMQFFHSJUJDRPG-UHFFFAOYSA-N 514.826 2.781 0 50 KFAA biogenic,in-vitro Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NC[C@H]3CCCO3)cc2)c(=O)c2ccccc21 8593636 PKLJIQBOLSFXCP-HSZRJFAPSA-N 526.593 2.937 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)ccc2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101131487 KZYJYJOFLPULNC-XXWYYJBBSA-N 586.546 2.570 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(Cc2ccccn2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704325166 XXXLXELDWABKGM-DTBDFGAESA-N 750.992 2.846 0 50 KFAA CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 4262459 UVBUBMSSQKOIBE-DSLOAKGESA-N 721.838 2.564 0 50 KFAA biogenic,in-vitro COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257349189 MITDEMNHLYHCKD-HXQNEWKTSA-N 708.798 2.971 0 50 KFAA Cc1cc(Cl)ccc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952865966 YXHXIIPYPZDJLZ-VWLOTQADSA-N 549.075 2.952 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3sc(C)nc3C)CCCNC2=O)N(C(=O)c2cc(C)nn2C)C1 1704324047 VEZMKBGRCDWKPR-ZEQRLZLVSA-N 651.790 2.645 0 50 KFAA Cc1nc(C(C)C)sc1C(=O)N1C[C@@H]2c3cccc(c3)OCC(=O)N[C@@H]([C@@H](C)O)C(=O)N(CC3CC3)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]2C1 1704324417 PHZIFVRHZIPOSN-JBMKPGKBSA-N 744.915 2.523 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccccn3)C[C@@H]2Oc2ccc(cc2)CN1 1772701559 FNJAOSRBHWGFPT-SVBPBHIXSA-N 542.592 2.581 0 50 KFAA CC[C@@H]1NC(=O)CCCNCCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857699823 ZIUZMYXUZJOTMM-FQEVSTJZSA-N 500.571 2.641 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCc1c(C)nc3ncnn3c1C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940196347 DSQVTPGBBNGJLI-LJAQVGFWSA-N 679.782 2.701 0 50 KFAA O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1 19902872 ZIAGVXMOKXSIGG-UHFFFAOYSA-N 500.580 2.991 0 50 KFAA O=C1CCNC(=O)c2cc(OCC3CC3)cc(c2)Oc2cccc(c2)CO[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]2N1 952857030 GUWUCDQTBULVMI-WUFINQPMSA-N 573.650 2.900 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(Cc3cnc(N)nc3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1615695511 XPTBIEXSFDBHLU-IZLXSDGUSA-N 618.735 2.947 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2CCOCC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321898 DAPLQLMQRPGTIN-GLGRRZRYSA-N 677.843 2.737 0 50 KFAA COc1ccc(CN2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)cc1OC 1772714525 VMQOKJWFTFUXMN-ZUKKLESISA-N 633.794 2.947 0 50 KFAA CCc1ccc(S(=O)(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)s1 1772817531 OFHQFZAWOGKAPJ-IRPSRAIASA-N 657.863 2.742 0 50 KFAA COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2ccccc2[nH]c1=O 225419656 ZATOPHZXCRCOMM-LMNJBCLMSA-N 543.576 2.663 0 50 KFAA biogenic COc1ccc([C@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1Br 2325860512 KMIUWESGFWCTLC-ABAIWWIYSA-N 522.425 2.566 0 50 KFAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccc(OC)c(OCCc3ccc4c(c3)CCO4)c2)c1O 253623717 ITZKQFMDTQTPBH-GOSISDBHSA-N 508.527 2.852 0 50 KFAA biogenic COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3cccnc3)C[C@@H]1OCc1cccc(c1)O2 952863816 YNEPWFCRFILCGQ-VMPREFPWSA-N 603.676 2.671 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713948 YLZLWPQMNFVZOW-LWPQGVMLSA-N 746.895 2.950 0 50 KFAA CC(=O)OC1=C(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C(CO)=C[C@H](O)[C@H]2C[C@H](OC(C)=O)C(C)=C([C@@H]1OC(C)=O)C2(C)C 1772820327 HTILKAOQIFDEET-AOYXCKHXSA-N 594.654 2.596 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCN(CC1=Cc3cc(Cl)ccc3OC1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1800430283 DDWFBYKZUIJYJB-GDXGJNNRSA-N 719.287 2.973 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccc3c2OCCO3)CCNC(=O)COc2cc(ccc2OC)C1 1857705643 PAFZPOQCLBQJFJ-UMSFTDKQSA-N 637.730 2.906 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100532861 FVVCPLAENZDDGZ-AREMUKBSSA-N 599.692 2.601 0 50 KFAA COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)c3cc4ncccn4n3)CC2=O)cc1 14744408 GBFUTOVFDDWWMU-QFIPXVFZSA-N 503.534 2.947 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(Cc3c(C)cnn3C)C[C@@H]1NC(=O)CN(CCCO)C2=O 952862090 KSSFVYFALIZPNZ-BDYUSTAISA-N 577.682 2.644 0 50 KFAA CCN1C[C@@H](C(=O)N2CCCNC(=O)c3ccc(c(OC)c3)Oc3cccc(F)c3CNC(=O)CCC2)CC1=O 1704321860 BQYHXNHPSPQQDZ-FQEVSTJZSA-N 554.619 2.854 0 50 KFAA CCOC(=O)N[C@@H](C(=O)c1ccc(C)cc1)N(Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1857800614 KLXHGCOWLGXDGD-HYBUGGRVSA-N 504.605 2.956 0 50 KFAA COc1cccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c1 952863936 WOQGBOPQKPACRX-GMAHTHKFSA-N 511.966 2.562 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)c3ccc(O)cn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1615706523 NKNLNJDTZZDIBB-SXOMAYOGSA-N 544.608 2.900 0 50 KFAA COc1ccccc1CCNC(=O)CN1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772817356 KYLJMGFGZDTZIS-CDZUIXILSA-N 628.726 2.713 0 50 KFAA COc1ccc([C@H](CC(=O)NCc2cc(=O)n(-c3ccccc3)[nH]2)c2c(O)n3ccccc3nc2=O)cc1 1776111647 JBTUWOPDDKKRNN-QFIPXVFZSA-N 511.538 2.726 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 208759946 SCKUPBDRWKIHLL-CYXNTTPDSA-N 507.631 2.923 0 50 KFAA O=C1N[C@H]2CN(Cc3ccncc3Cl)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952865408 XZDZLNCNZYMOAC-UNMCSNQZSA-N 503.390 2.962 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cc(C)on2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704328908 OXVNHBOOQZHADA-BRBTZGCTSA-N 674.799 2.921 0 50 KFAA CCn1ncc(C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C2)c1C 1704328983 QLPVVXSGNAIOLK-YFZVMGGLSA-N 826.012 2.789 0 50 KFAA COc1cccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(C(=O)N(C)C5CCN(C)CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1 1772714398 ORADOGCQRGCZHE-ACHIHNKUSA-N 655.752 2.572 0 50 KFAA CCCCC/C=C\C/C=C/C=C\C=C/[C@@H](SC[C@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)O 64858809 INRWBYPYKPHQHS-XSBQMFJUSA-N 623.769 2.831 0 50 KFAA in-vitro COCCN1CC(=O)N[C@H]2CN(C(=O)CCc3ccc(OC)cc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952857445 YOUYNGHGJMXKGA-VMPREFPWSA-N 588.661 2.830 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CNC(=O)N(C)C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952870218 YCRKPXPLJOKENZ-SVBPBHIXSA-N 595.697 2.615 0 50 KFAA COc1cccc2c1OCc1cn(nn1)CCOc1cccc(c1)CC(=O)N1CCC3(CC1)CN(CCO3)C2 1704316964 DYHPOGUFQSNTHE-UHFFFAOYSA-N 533.629 2.694 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cccc4nccnc34)C[C@@H]1NC(=O)CC2 1772701341 FGFVIKGQSLWSJJ-LSYYVWMOSA-N 581.629 2.668 0 50 KFAA COC(=O)c1ccn(C2CCN(C(=O)NCc3cccc(S(=O)(=O)NCc4cccc(F)c4)c3)CC2)n1 2325853177 GMBLTSGFUUFMAD-UHFFFAOYSA-N 529.594 2.834 0 50 KFAA Cc1nn(C)cc1C(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704317947 LMLQAAPYFIGBPN-SDDUWZMOSA-N 657.816 2.658 0 50 KFAA CCOCCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775982174 RPHAACGABKKJAX-CPJSRVTESA-N 596.710 2.657 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)Cc1cc[nH]n1)CCCCNC2=O 1857700726 GPFJWEOTYWOZAH-SSEXGKCCSA-N 620.707 2.571 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccccc2-n2cncn2)CCNC(=O)COc2cc(ccc2OC)C1 1857703416 LHOHAASDRIGQKZ-UUWRZZSWSA-N 646.745 2.715 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cn3c(C)cccc3n1)CC(=O)N[C@H]1CN(C(=O)Cn3nc(C)cc3C)C[C@H]21 1875241523 SYVFYXKMPDNFHJ-RPBOFIJWSA-N 599.692 2.500 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 16700349 KSCQMMRQJZWNCV-YOKWNPFVSA-N 510.543 2.871 0 50 KFAA CCCn1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)c(C)n1 952856440 FTYUXRCMEXGBBR-LJAQVGFWSA-N 642.761 2.827 0 50 KFAA Cc1cnc(CN2CCC3(CC2)Cc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)CCNC3=O)[nH]1 952865621 TUJCKLFOAYMPHF-VWLOTQADSA-N 545.640 2.967 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)CCc3ccc4c(c3)OCO4)C[C@H]2C(=O)N1 1704339791 MKJFSELYNPONLP-XCHMNZSRSA-N 705.853 2.724 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2csc(C)n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772705251 RKMPXEXDIYIVCF-MUQQHEDISA-N 696.875 2.731 0 50 KFAA COCC[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 2100533107 AKIMRUZTIFTVCD-LJAQVGFWSA-N 592.659 2.972 0 50 KFAA COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCCC(=O)O)cc2ccccc12 4545852 QFJWKXYGBSQMDX-RNHFSVANSA-N 576.650 2.779 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 9331276 IUFLOROVAODSEO-MGSPXPDISA-N 522.579 2.741 0 50 KFAA CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cccc1F 25668329 OOBJCYKITXPCNS-REWPJTCUSA-N 513.497 2.875 0 50 KFAA in-vitro CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)NCCN1C(=O)C=CC1=O)C(C)(C)C[C@@H]3C 100079941 CUWXBTJMNRLPKT-KRWDZBQOSA-N 523.586 2.883 0 50 KFAA in-vitro COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1c(C)noc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857563 XKHAFGNLTRAABE-LJAQVGFWSA-N 643.745 2.835 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3nc(C)c(C)nc3c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323056 OKIDRDFIXRKUGC-GDLZYMKVSA-N 599.692 2.911 0 50 KFAA CCOC(=O)C1CCN(S(=O)(=O)N2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)CC1 1857700960 DZHVPEDOACTLLW-DEOSSOPVSA-N 535.707 2.995 0 50 KFAA COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@@H](CCc4ccccc4)C(=O)N[C@H](C)C(=O)N2C3)cc1N1CCOCC1 2100533099 AFMNYKYSAPQDHW-LNVRZVIQSA-N 645.801 2.627 0 50 KFAA O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CCCCC1 2325842975 OGDBVQVIWLGHCF-FQEVSTJZSA-N 542.489 2.857 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3)c1 2325899147 QUKVPIPQMMDZDR-IZZNHLLZSA-N 586.670 2.819 0 50 KFAA OCCN(CCO)C[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 8426028 FLBUGINTQGVWCD-OAHLLOKOSA-N 580.204 2.651 0 50 KFAA O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 606303698 YZIUMHBWFVGVKQ-UHFFFAOYSA-N 825.946 2.809 0 50 KFAA Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857740569 KIMPVYQMJSSKLQ-HKBQPEDESA-N 718.815 2.762 0 50 KFAA COc1ccc(CN2CCCNC(=O)CC[C@H](c3ccccc3)CCNC(=O)C2)cc1Cn1cncn1 1875240919 JCYGTTHVLZFAPH-DEOSSOPVSA-N 504.635 2.727 0 50 KFAA CCc1nccn1CCC(=O)N1C[C@@H]2c3ccc(OC)c(c3)OCCCN(C(=O)Cc3csc(C)n3)CC(=O)N[C@H]2C1 2100534230 YWHMKDAMKDTOFU-RPWUZVMVSA-N 594.738 2.574 0 50 KFAA CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 2063859 MQOXVASIPDLESE-UGUGFTGJSA-N 517.607 2.934 0 50 KFAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4nc5ccccc5nc4-c4ccccc4)CC3)ccc21 9614336 TWKYYLVJVHEXAQ-UHFFFAOYSA-N 514.611 2.998 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(Cc3nc(C)cs3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952862095 KXYQTAGSTGWOEU-ZEQRLZLVSA-N 537.642 2.627 0 50 KFAA CCc1nc(CN2C[C@@H]3NC(=O)c4cc(cc(C(=O)NCc5cccc(F)c5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n[nH]1 1772714212 FXUTXVLOXLDJTE-NSOVKSMOSA-N 627.677 2.507 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857705840 XYQDYNDGDUJLKR-ZUBRQOJCSA-N 720.831 2.940 0 50 KFAA Cc1cnc2c(S(=O)(=O)N[C@@H](C)CC(=O)Nc3nc(Cc4nnc(S)n4C)cs3)cccc2c1 1875351204 OBXVKXARBINSCV-ZDUSSCGKSA-N 517.662 2.703 0 50 KFAA Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)O)ccc12 5273754 RIYLNECMTVNMSO-PKTZIBPZSA-N 551.596 2.869 0 50 KFAA Cc1ccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1 952865157 PLDDCQGKHIJVGI-SANMLTNESA-N 500.647 2.659 0 50 KFAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCCCC(=O)N3C2)no1 1704317919 KOYSLOHOCQQUTP-ZTKDCJBUSA-N 666.820 2.788 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc3ccccc3n2)CCN(C)C(=O)[C@@H](C)NC1=O 1704321541 SVVGSZUQHKZWIA-CDBUXONGSA-N 726.904 2.829 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccccc2)CCCNC(=O)COc2ccc(cc2)C1 1775983062 XHTSSATYAOZESW-WJOKGBTCSA-N 567.683 2.753 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)CCc1c(C)nc3ncnn3c1C)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857703683 WFJLOEIQZSBOAY-MUVVOIGYSA-N 785.903 2.797 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccncc1)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857704163 GOPHVHINGQTJLV-UKPGIYTDSA-N 599.688 2.612 0 50 KFAA CN1CCN(C(=O)c2ccc(N3CCC[C@@H](c4ncc(Br)cn4)C3)nc2)C[C@@]12CCOC2 1875360529 CRHJZBVEPYMKBT-WZONZLPQSA-N 501.429 2.565 0 50 KFAA COc1ccc(OC)c(S(=O)(=O)n2c(=O)n(S(=O)(=O)c3cc(OC)ccc3OC)c3cc(C)ccc32)c1 1114425 RWRQOHFHGNIRMS-UHFFFAOYSA-N 548.595 2.620 0 50 KFAA CCCC[C@@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 4544480 UVBUBMSSQKOIBE-FBAPABQHSA-N 721.838 2.564 0 50 KFAA in-man COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704344346 LHMQBUVQLYSXKY-DTKZEWQESA-N 685.822 2.700 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccncc2F)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713493 NQDAYSFHEFCXPP-WPHQEQLXSA-N 680.782 2.571 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2ccncc2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857699874 BOXCTNUSJMEHEV-ZTOMLWHTSA-N 605.740 2.549 0 50 KFAA O=C1CCCN(C(=O)c2cnccn2)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)CCC(F)(F)F)C[C@@H]32 1875240025 FFQPTJJVBHCNLX-CCLHPLFOSA-N 575.588 2.945 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NC[C@H](c3cccnc3)N3CCOCC3)cc(c1)-n1ccnc1-2 1875240391 REOXPSNQEBJYFO-AREMUKBSSA-N 568.634 2.755 0 50 KFAA CC(=O)O[C@H]1[C@@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H](COC(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccc(C)cc1 150659486 NRUPRHFQGBCWJJ-NXYDZRKXSA-N 648.406 2.670 0 50 KFAA biogenic,in-vitro COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2ccccc2[nH]c1=O 225419700 ZATOPHZXCRCOMM-SLYNCCJLSA-N 543.576 2.663 0 50 KFAA biogenic COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253503649 ZLAQSJKIEJDEJR-NEOPOEGOSA-N 615.588 2.612 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1c(C)nn3c(C)cc(C)nc13)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952862777 LOIOHSKPILDUKN-LJAQVGFWSA-N 679.782 2.880 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(c3cc(C)nc(N4CCCCC4)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952863173 UIMVRWVVLWWZFG-NSOVKSMOSA-N 601.708 2.955 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCN3CCCCCC3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772713904 WVTKICFSRRVGCU-VMPREFPWSA-N 604.704 2.665 0 50 KFAA Cc1ncc(CN2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)n1C 1775980391 AFGUBKXFNWDNPG-NVQXNPDNSA-N 604.737 2.946 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)Cc2c(F)cccc2Cl)CCNC(=O)COc2cccc(c2)C1 1775983964 FHKDDBKNMYEQPR-SSEXGKCCSA-N 606.091 2.694 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cc[nH]c2)CCCC1=O 2356134269 GWQRPYNMZODBAK-GDLZYMKVSA-N 521.662 2.590 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(C/C=C/c3ccc(OC)cc3)C2)nn1 102668457 RNSUWTLIKVTUEN-COYOHANDSA-N 530.629 2.751 0 50 KFAA COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 248149171 ZLAQSJKIEJDEJR-JQWBDLNTSA-N 615.588 2.612 0 50 KFAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OC)c(OCCc3ccc4c(c3)CCO4)c2)c1O 253623718 ITZKQFMDTQTPBH-SFHVURJKSA-N 508.527 2.852 0 50 KFAA biogenic Cc1ccc2c(c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCO2 952856494 HMSWESZPFCKZPT-VMPREFPWSA-N 629.762 2.598 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cncc(F)c3)C[C@@H]2Oc2ccc(cc2)CN1 1772702730 WALVYQCVRLYBEL-SVBPBHIXSA-N 560.582 2.720 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3c(c1)ncn3C)CCCNC(=O)[C@H]1CN(C(=O)C3CCOCC3)C[C@H]21 2100534164 WNJXJRDYRGCFEJ-RPBOFIJWSA-N 589.693 2.592 0 50 KFAA COc1ccc2cc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)n(C)c2c1 952865915 ZDKSQDFLXZWPNF-AREMUKBSSA-N 619.698 2.956 0 50 KFAA CC(C)C[C@H]1NC(=O)CCCN(C(=O)c2ccc(Cn3cccn3)o2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772701825 BRLWDRZEGWEHBQ-JYFHCDHNSA-N 643.749 2.543 0 50 KFAA CN(Cc1cccnc1)C(=O)c1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cccc4c3OCCO4)C[C@@H]1Oc1ccc(cc1)CNC(=O)CO2 1772702757 DUOTZEVMLWPJQN-CDZUIXILSA-N 677.714 2.836 0 50 KFAA CN[C@@H](C)C(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1772817801 RVSPIZUPGWBAGL-WXVUKLJWSA-N 611.794 2.697 0 50 KFAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)C3(c4ccc(Cl)cc4)CCC3)CN2C(=O)[C@@H](NC(=O)c2cn3cc(Cl)ccc3n2)CCCCN1 1857704966 MPFSVCGKLPZNLJ-AQCTUAEDSA-N 740.645 2.597 0 50 KFAA CNC(=O)CCC(=O)NS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(C)c(-c2cccc(Cl)c2)s1 1875342159 AOMAOOSQVAASGU-QGZVFWFLSA-N 512.053 2.954 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3)c1 2325899146 QUKVPIPQMMDZDR-FTJBHMTQSA-N 586.670 2.819 0 50 KFAA COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)C3CCN(C(C)=O)CC3)CC2=O)cc1 14744365 LBMWBYROVAVLPW-VWLOTQADSA-N 511.594 2.849 0 50 KFAA CCCc1c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CSCc4ccccc4)C(=O)N3C2)cnn1-c1ccccc1 14746387 OOXOFJKCWWYUSR-OPHFCASCSA-N 517.655 2.956 0 50 KFAA CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C(=O)c4ccccc4)cc3)CC2)cc1 59771958 OTQYQLZIFHBMQH-VWLOTQADSA-N 537.638 2.622 0 50 KFAA Cc1cc(C)n2nc(CC(=O)N3CC[C@@H]4OCc5cccc(c5)Oc5cccc(c5)CCC(=O)N(C)CC(=O)N[C@@H]4C3)nc2n1 1616114083 TXRRKFJLCQSGFO-IZLXSDGUSA-N 611.703 2.783 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)CCc2cc(Cl)no2)CCCNC(=O)COc2ccc(cc2)C1 1775979268 ZDLAWYWFAIEPJQ-PMERELPUSA-N 621.131 2.713 0 50 KFAA COCC[C@@]1(C(=O)NCCc2ccccc2Cl)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875240417 RWSPHDOLSFBGEY-PMERELPUSA-N 573.134 2.649 0 50 KFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(Br)c(C)c4)C3=O)C2)n1 1875350751 ZBGTWQOLWANFCT-WIYYLYMNSA-N 556.461 2.950 0 50 KFAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCOc4cccc(c4)-c4nccn4CCNC(=O)[C@@H](CC(C)C)NC(=O)C3)ccc21 1940197979 FNQWEKQVHBVOCK-GDLZYMKVSA-N 650.802 2.970 0 50 KFAA C[C@H](NC(=O)C1(NC(N)=O)CC1)[C@@H](NC(=O)c1ccsc1I)c1ccccc1 2325877001 HANKLXJBLZLOJY-SMDDNHRTSA-N 512.373 2.529 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N1C[C@@H](NC(C)=O)C[C@H]1C(=O)NCc1nc-2oc1C 2356134096 YDQADEODRFJSDI-FPOVZHCZSA-N 534.569 2.825 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 22108033 RMFQTRVRIOZJRM-FNUHDPNESA-N 508.552 2.544 0 50 KFAA CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@H]12 245228710 CXHOWVXUEZYAFS-MOPBAVJUSA-N 500.598 2.725 0 50 KFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCNC(=O)OCc1ccccc1 245327818 RMRQGSRUGRBWCV-OVOJMXFRSA-N 659.784 2.543 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)C3(CO)CC3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616109551 KGFJWZSAQLYUQR-SXOMAYOGSA-N 609.720 2.674 0 50 KFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](c2ccccc2)C1 1704321712 WSPIOMQYSALJTJ-OHRZDYJNSA-N 762.912 2.918 0 50 KFAA CC1(C)CCN(S(=O)(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)CC1 1772713340 DMNDLNIMJVSTNK-NSOVKSMOSA-N 612.749 2.712 0 50 KFAA CC(=O)N[C@@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1857705268 ACFKIJJPELWWBN-ZRZALWPLSA-N 645.805 2.798 0 50 KFAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740364 GLNGJWPAXGSXAT-PWUYWRBVSA-N 757.820 2.545 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cccc3c1CCC3=O)CCCNC(=O)[C@H]1CN(C(=O)c3cnccn3)C[C@H]21 1875241801 HWYBXHMOEGOEDD-RPBOFIJWSA-N 583.645 2.511 0 50 KFAA Cc1nsnc1C(=O)N1C[C@@H]2c3cccc(c3)OCCCCN(C(=O)COc3ccc(F)cc3)CC(=O)N[C@H]2C1 2100532898 JMXQGAHXGVWMHX-RPWUZVMVSA-N 567.643 2.790 0 50 KFAA Cc1c(-c2cc(C(=O)N3CCCOc4cccc(c4)-c4nccn4CCNC(=O)[C@@H](CC(C)C)NC(=O)C3)no2)cnn1C 2100533937 MGEXMDPGEURMSX-RUZDIDTESA-N 602.696 2.819 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4ccc(=O)n(C)c4)C3)CN1C(=O)CC2 2356137169 IDDJIWZXOHTKJS-DFCKQENNSA-N 578.710 2.557 0 50 KFAA COc1cc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n32)ccc1OC(C)=O 2671888 FTYNRHXAYASYKT-ULWNEYHBSA-N 575.643 2.715 0 50 KFAA CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1OC 97962751 WUYXXWYJGDCKBC-ITIZVALFSA-N 552.605 2.749 0 50 KFAA COc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 100765881 NXZNYBUBXWWKCP-DNRQZRRGSA-N 520.552 2.860 0 50 KFAA in-vitro CCOC(=O)[C@@]12C(C)=C[C@@](C)([C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]31)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@H]12 245231344 BVJDYHYRDSMKSB-NZTAXYEHSA-N 614.607 2.978 0 50 KFAA C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@@H]2[C@@]3(O)CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 248247526 QZTRRTOMKSKXLP-CFALSZHHSA-N 515.713 2.512 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)Cn1cnnn1)CC[C@@H]1c3ccccc3N(C(C)=O)[C@@H]1C2 1857697721 KANWHPJBVIUKND-ISKFKSNPSA-N 504.591 2.835 0 50 KFAA Nc1nn(C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(N2CCOCC2)c1C1CC1 1875342584 YPOHJDYQQZKQLO-UHFFFAOYSA-N 507.616 2.615 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4ncccc4OCCN)C3)CN1C(=O)CC2 2356136734 HGTROEKETKJZRY-DMDYGQEQSA-N 607.752 2.591 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCc1nc(-c3ccccc3)no1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704318663 PHNQKKNHOQTEEU-GDLZYMKVSA-N 615.691 2.720 0 50 KFAA Cc1cc(C(=O)N2CCCCNC(=O)[C@@H]3C[C@@H](CN3C(=O)COc3ccc(-n4cnnn4)cc3)N(C(=O)c3ccccc3)CCC2)c(C)o1 1704339548 LRTNCYOCFMFJQX-IZEXYCQBSA-N 668.755 2.805 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CCNC(=O)COc2ccc(cc2OC)C1 1775978390 SJEUGMYVUWPZIG-DHUJRADRSA-N 677.803 2.806 0 50 KFAA Cc1ccc2c(c1)C(=O)NCCN(S(=O)(=O)c1cc(-c3cnc(C)o3)ccc1C)CCCC(=O)NCCO2 1857713048 BBHJPXZLZHZRGZ-UHFFFAOYSA-N 540.642 2.976 0 50 KFAA COc1cc(S(=O)(=O)N[C@@H](CCO)c2ccc3c(c2)OCO3)cnc1N1CCOC2(CCSCC2)CC1 2325823128 FTGOVYXMTCPSJL-FQEVSTJZSA-N 551.687 2.713 0 50 KFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCNC(=O)c1ccc(CN(Cc2ccccn2)C[C@@H](O)CN(Cc2ccccn2)Cc2ccccn2)nc1 161772299 UDSBDKQVXFAEAK-KOILXBFDSA-N 766.973 2.904 0 50 KFAA CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)O[C@H]2[C@@H]1C 253634694 IUPCWCLVECYZRV-RVMZWXRHSA-N 581.747 2.670 0 50 KFAA CCCc1cnc(C)nc1N1C[C@@H]2NC(=O)CN(CCOC)C(=O)c3cncc(c3)Oc3cccc(c3)CO[C@H]2C1 952856719 FUSDTSQTPSBJFD-SVBPBHIXSA-N 560.655 2.917 0 50 KFAA CN1CCNC(=O)C[C@@H]2CN(Cc3ccc(C4CCCCC4)s3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616115044 PASUOXSDYBJAEX-BWKNWUBXSA-N 563.728 2.862 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1csc(-c3ncccn3)n1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704316710 BMWULGCBJZHCOB-NTBNWUQQSA-N 770.913 2.613 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)c1cccc3c1OCCO3)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775979217 JMEHRWMFKJTWEC-MHZLTWQESA-N 628.704 2.660 0 50 KFAA CC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1857688899 ACFKIJJPELWWBN-JLQGKLAWSA-N 645.805 2.798 0 50 KFAA Cc1nc(CC(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)cs1 1857708804 ODSKLQGBGUAYJV-RNZMSAJASA-N 716.821 2.805 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)O)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 2049556 XSQDEOJNULNBPG-LPRAYXGFSA-N 512.971 2.915 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@H]2SC1 15947424 CDTUWTAKKZRSFM-PGRDOPGGSA-N 520.947 2.736 0 50 KFAA COCC1(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)CC1 1772713468 KIINRGZTLKFKEE-NGTAJDMZSA-N 733.907 2.543 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCc1ccc(O)nn1)CCCCNC2=O 1857705192 XMEZJOSNDYOJQE-JGCGQSQUSA-N 662.744 2.734 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cscn2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857740030 FDPOXYXKZAUGOZ-RBBKRZOGSA-N 605.677 2.750 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1Cc1nccc(OC)c1OC 2100533220 GNBVDVGLGAIYBS-FCHUYYIVSA-N 540.661 2.651 0 50 KFAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(N)=O)N[C@]4(C(=O)N(Cc5ccccc5Cl)c5ccccc54)[C@@H]3C2=O)cc1 29749057 ZALQIYJYTUALPI-QXQHHZKDSA-N 572.021 2.694 0 50 KFAA COc1nc2c(cc1C(=O)N1CCCNC(=O)[C@H](CCSC)NC(=O)c3cc(ccc3C)OCCCn3cc(nn3)C1)CCC2 1704321802 FXFZWHYGGIAJAZ-NDEPHWFRSA-N 635.791 2.962 0 50 KFAA Cc1ncc(C(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)c(-c2ccccc2)n1 1772706636 WNDZTVOPSDZOMT-NHWZYIIXSA-N 722.851 2.586 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCS(C)(=O)=O)CCCNC(=O)c2csc1n2 1772817084 GTUGJIYEFZQIOY-CPJSRVTESA-N 660.844 2.524 0 50 KFAA COc1ccc2cc1OCCCNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1772817962 VESLDFWLPOKNPM-NSOVKSMOSA-N 611.699 2.650 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cccc(N(C)C)c1)CCCCNC2=O 1857701637 SBLSWQMEIMEPBB-NLPVGWCVSA-N 760.889 2.851 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2cnsc2)CCNC(=O)COc2cc(ccc2OC)C1 1857704473 SVSNOXFQAMXSHD-LJAQVGFWSA-N 572.728 2.951 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 22107810 QFBJDBGFVJIUBK-RQLGBQGVSA-N 522.579 2.602 0 50 KFAA O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 59731963 NXZKIMQMJVCDMT-SANMLTNESA-N 589.139 2.753 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC(=O)N(CCc2ccccc2)C1 102302443 VQPPBCUWGIZSSH-HHHXNRCGSA-N 547.700 2.625 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cc3cc(F)cc(F)c3)C[C@@H]1NC(=O)CC2 1772713584 LPPTURFHGAMHCS-LSYYVWMOSA-N 579.600 2.932 0 50 KFAA Cc1ccnn1CCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817867 YILODWLFNVZPRG-CUNXSJBXSA-N 632.747 2.825 0 50 KFAA Nc1cc(N2C[C@H](O)C[C@@H]2CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)ncn1 1875350138 BYFQTVJPECTQIS-IAGOWNOFSA-N 537.429 2.536 0 50 KFAA CC1CCN(Cc2cn([C@H]3CCN(C(=O)C4(NC(=O)c5n[nH]c6ccccc56)CCCC4)C3)nn2)CC1 2325852757 RMIYSVDNLUXRHF-NRFANRHFSA-N 504.639 2.903 0 50 KFAA COc1cc2ccc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cnc(-c3cccnc3)nc1C)CCCNC2=O 2356162157 ABORTMBMRIBNRE-LJAQVGFWSA-N 641.733 2.924 0 50 KFAA COc1cccc2c1OCC(CN1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C1)=C2 1704316712 BPCXATXVYKADIT-GWUYCQIBSA-N 759.930 2.566 0 50 KFAA Cc1cc(C(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)cnc1C 1704321409 NHALBFUZUYDQAW-LGXAAPQCSA-N 771.945 2.758 0 50 KFAA COC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]2Cc3cc(NC(C)=O)ccc3N3C[C@H]4C[C@H](c5cccc(=O)n5C4)[C@H]23)cc1 1772492987 KWPHWVTUYTXFOG-RJRVYABOSA-N 597.672 2.903 0 50 KFAA COCCN(C)CC(=O)N1CCCC(=O)N[C@@H](Cc2ccccc2)c2nc(c(C)o2)C(=O)N[C@@H](C(C)C)c2nc(cs2)C(=O)NCC1 1772817398 OAYIBDLVKPBYIV-CUBQBAPOSA-N 667.833 2.897 0 50 KFAA CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O 1775966683 TZHGYWCJIXHMJK-AIEZWRDKSA-N 839.029 2.505 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CC2CCOCC2)CC1=O 2356136557 ZHJKQEAEZNZMLC-HKBQPEDESA-N 554.732 2.764 0 50 KFAA Cc1nc(C)c(CC(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)c(O)n1 1772816791 BBIQOKRTAHGZIS-CUNXSJBXSA-N 660.757 2.585 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ncoc2C(C)C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979237 YZTKZHSBNZYKFR-CPJSRVTESA-N 609.728 2.947 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccccn2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1875242134 ONHRBSVCVVQQPV-UKILVPOCSA-N 599.648 2.688 0 50 KFAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(C)c5ccccc54)c(=O)n32)cc1 1896288 XPRAACWAOFQVAJ-VFJWVMJUSA-N 503.580 2.542 0 50 KFAA CO[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](CNC(=O)c2ccccc2)O[C@@H](OC)[C@H]1NC(=O)c1ccccc1 4565688 AQQYYMVCHAXJFN-BPFKRQCSSA-N 518.566 2.827 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@@H]1c1ccccc1OCC 22135383 XKNHGVOYRYZFCG-OFVJEAJMSA-N 523.611 2.627 0 50 KFAA COCCn1ccnc1CN1CCCCOc2cc(ccc2OC)[C@H]2C[C@H](CNC(=O)C1)[C@@H]1CCCN12 1704322848 QSBPVJJBZSQESR-TZRRMPRUSA-N 511.667 2.855 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)Cc2cccc(F)c2F)CCCNC(=O)COc2ccc(cc2)C1 1775977073 DJMGIPMQAATTFL-YTTGMZPUSA-N 617.690 2.960 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCNC(=O)COc2ccc(cc2)C1 1857706686 NKPWWWTXDFJJKV-JGCGQSQUSA-N 652.774 2.666 0 50 KFAA COc1ccc2cc1OCCCN(Cc1[nH]cnc1C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940195993 BGHFJQYQTYDIJT-VWLOTQADSA-N 571.682 2.719 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@@H]2SC1 8927987 YNXTZYIYTKKIAZ-JTSKRJEESA-N 520.947 2.736 0 50 KFAA COc1ccc(CCN2C(=O)[C@H]3C4C=CC([C@H]3C2=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@@H]42)cc1OC 169295139 UGZMPGJVXRAOPR-HBGHOALZSA-N 574.630 2.524 0 50 KFAA Cc1c(C)[n+]([O-])c([C@@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587354 FZYLYWYHJYSGGJ-QFIPXVFZSA-N 518.570 2.561 0 50 KFAA O=c1cc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O 1772492743 SHQYQTDTNNGVMJ-AIDJPXSQSA-N 528.653 2.957 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccnc2OC)CCNC(=O)COc2cc(ccc2OC)C1 1775982536 RIXVWUREOWAYEN-JGCGQSQUSA-N 610.708 2.538 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2c(C)noc2C)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775984145 ZSVVUHVUEHNVCQ-QCENPCRXSA-N 723.835 2.835 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)Cn1nc(C)cc1C)CCNC2=O 1875242705 YGZOSBNLBKOTIL-SSEXGKCCSA-N 628.734 2.932 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cccn5cnnc45)C3)CN1C(=O)CC2 2356136774 JJPQOYAXZINNQL-FBILRYNDSA-N 588.709 2.901 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)c1ccc(Cn3cnnn3)cc1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356140055 RPLBUUDJJKGWSQ-XYHYBEPMSA-N 662.777 2.689 0 50 KFAA Cc1cc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)ccc1Br 13896562 OHHWDNUZTAIBHX-UHFFFAOYSA-N 524.437 2.597 0 50 KFAA COc1cc([C@H](CC(=O)NCCc2c[nH]cn2)c2c(O)c3ccccc3oc2=O)c(OC)c2c1OCO2 253470613 PIHQLUQMFJNKJE-INIZCTEOSA-N 507.499 2.849 0 50 KFAA COc1ccc(C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1Cl 1704323912 JWLAATHUNWQMED-MHFIUEFXSA-N 754.310 2.583 0 50 KFAA Cc1ccc(OC(C)(C)C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1 1704324080 WSXBHPJSFHSSKX-DSAOOHFSSA-N 761.946 2.774 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(Cc2cccnc2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704338736 YEXGFWSLTARYQN-QZFRTWIZSA-N 729.908 2.501 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)COC(C)C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772704670 OPVYBWVXZCGQDZ-NGTAJDMZSA-N 721.896 2.542 0 50 KFAA CCn1ccc(CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n1 1772713587 MQMXOKBXRCWPQE-NSOVKSMOSA-N 545.640 2.762 0 50 KFAA O=C(NCCSc1nnnn1-c1ccccc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 2869008 ZORGLYUARONAAG-HXUWFJFHSA-N 526.669 2.748 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cc1n[nH]c3ccccc13)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952865897 XIFWWJDNZPWODQ-PMERELPUSA-N 650.740 2.717 0 50 KFAA CCCCc1ncc(CN2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)[nH]1 1704324096 XGVWTHNUFUMYJJ-OZXSUGGESA-N 533.629 2.831 0 50 KFAA Cc1ccccc1CCC1CCN(C(=O)CNc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 1875351643 DDOKGJDGQWIBPD-QHCPKHFHSA-N 516.598 2.680 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3nnc4n3CCCC4)CC[C@H]1OCc1cccc(c1)O2 952856291 WPJDDZBROZSXEV-IZZNHLLZSA-N 588.665 2.807 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cc(C(C)(C)C)n[nH]3)C[C@@H]1NC2=O 1704324766 SHYLTDRMVHIWJX-DHLKQENFSA-N 533.629 2.786 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 8860457 GWNVDXQDILPJIG-KNBGLBFLSA-N 625.785 2.777 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 19911428 SNXDCLCESYASEZ-MGSPXPDISA-N 520.563 2.649 0 50 KFAA CCn1cnnc1CN1C[C@@H]2NC(=O)CN(C3CC3)Cc3cccc(c3)Oc3cccc(c3)CO[C@H]2C1 952857647 QMUWPWHQEMUJSX-UIOOFZCWSA-N 502.619 2.954 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)C1CC1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857703968 XVSJNRRZFDAKOZ-DFXYEROKSA-N 651.761 2.520 0 50 KFAA COC(=O)c1ccc(CNC(=O)C[C@H](c2ccc(OC)c(OC)c2OC)c2c(O)cc(C)oc2=O)o1 263585215 GJOFTSGLHUGNBV-MRXNPFEDSA-N 501.488 2.898 0 50 KFAA biogenic O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3csc(-c4ccccc4)n3)CN2C(=O)[C@@H](NC(=O)c2cnoc2-c2ccccc2)CCCCN1 1857689148 DNCICPQYNLINGS-KHUDPXOFSA-N 741.827 2.542 0 50 KFAA CC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(CC3CC3)nc2[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1857707336 OKXFRSVWRNFRJE-NNZWCGPJSA-N 657.816 2.806 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 8860456 GWNVDXQDILPJIG-SLLARYLGSA-N 625.785 2.777 0 50 KFAA in-vitro O=C1c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2-c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc21 29747779 OIIQWIABYRYSGF-UHFFFAOYSA-N 630.752 2.710 0 50 KFAA COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257349191 MITDEMNHLYHCKD-WSJBNOCASA-N 708.798 2.971 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nn[nH]n3)c(=O)cc1[C@@H](NC(C)=O)CC2 409413675 QUSSTJDKFMTKAS-PZJWPPBQSA-N 565.631 2.841 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ncc(Sc3nnc(O)nc3O)nc2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 828178944 ZQLMKZLJFPDDIV-YQNORIIPSA-N 684.643 2.591 0 50 KFAA Cc1nn(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cncc(c4)C(=O)NCCCC(=O)N[C@H]3C2)c(=O)c2ccccc12 952865814 XUAOTSXGALLJQW-VMPREFPWSA-N 610.671 2.718 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2cn3ccsc3n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713500 OGNTVKNHIVCNCL-YBBGPBPVSA-N 721.885 2.675 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)C2CCN(C)CC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1800430304 INZJKYDDMLSUBU-NVQXNPDNSA-N 621.764 2.572 0 50 KFAA O=C1[C@H]2[C@H](C(=O)N1CCC(=O)N1CCC[C@H]1c1nc(-c3ccccc3Br)no1)[C@H]1CC[C@H]2O1 1875322318 PFBYUQIYQHJAIC-LHXSAFEUSA-N 515.364 2.715 0 50 KFAA O=C(c1cnc(O)c(Cl)c1)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952858485 ADZFHNSBJQHKFD-UHFFFAOYSA-N 525.009 2.639 0 50 KFAA Cc1ocnc1C(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704323489 PXCCZGYULQOVQL-LDVROUIZSA-N 644.773 2.912 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CCCNC(=O)COc2ccc(cc2)C1 1775980593 DPYOOLHAEJETTR-QNGWXLTQSA-N 679.859 2.569 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H](N)c2ccccc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775980636 FZVOXNKMSKJUSQ-FDJWOJMMSA-N 629.743 2.930 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 631670 ZUDAFFYMDWQVBX-PLQXQRLBSA-N 552.605 2.749 0 50 KFAA CCOC(=O)N1CCN([C@@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@H]2N2CCN(C(=O)OCC)CC2)CC1 334163591 YFUSNHBFPJDYGE-NSOVKSMOSA-N 604.708 2.844 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CN(C)C)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952856774 DYSDMCGMZLMLQB-SVBPBHIXSA-N 552.672 2.906 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2c(F)cccc2Cl)CCNC(=O)COc2cccc(c2)C1 1857700370 ATNARUMMMJUYID-GDLZYMKVSA-N 592.064 2.765 0 50 KFAA Cc1ccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)s1 952864788 ZWGGTSOLAVTEDZ-LQCMOVKCSA-N 688.251 2.595 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(Cc2ncc[nH]2)CCCCNC(=O)[C@@H](C)NC1=O 1704315866 FNPBULLEXSMICU-OFQAEJFBSA-N 615.779 2.699 0 50 KFAA O=C1CN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(=O)cc2O)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857709254 NRKQNXXYZXIJHG-UHFFFAOYSA-N 594.839 2.669 0 50 KFAA CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 13960436 NAQSKLCKDFASLW-XMMPIXPASA-N 512.632 2.597 0 50 KFAA COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 17376806 YXGXQALOKIWQJN-UHFFFAOYSA-N 563.629 2.689 0 50 KFAA COC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O 225426449 KLDQQRRNTIORNP-NPPFBWRTSA-N 536.581 2.839 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@@H]3CCS(=O)(=O)C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 952961453 VQFILFAIBVDSTE-AMAALNMCSA-N 615.749 2.850 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)c3cncn3C)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616068609 ICJVDCCGSOQSEF-IAPPQJPRSA-N 619.719 2.948 0 50 KFAA Cc1nc(C)c(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)o1 1772713484 NGSBIZGLWSUDKU-UIOOFZCWSA-N 560.607 2.791 0 50 KFAA O=C1CN(C(=O)Cc2noc3ccccc23)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740678 UJBWZLQGJWKDHX-NDEPHWFRSA-N 636.713 2.555 0 50 KFAA COc1cccc(C(=O)N2C[C@@H]3c4ccc(OC)c(c4)OCCCN(C(=O)Cc4cc(C)no4)CC(=O)N[C@H]3C2)c1 2100534148 VVXIPHQNRBZSHY-RPBOFIJWSA-N 562.623 2.578 0 50 KFAA CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1 2325869658 XGIWCLBIHIPTIB-UKILVPOCSA-N 508.644 2.944 0 50 KFAA COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N=C(Nc3cc(OC)ccc3OC)S2)cc(C(=O)OC)c1 2393337 CRSCQZBANANOIQ-SFHVURJKSA-N 501.517 2.716 0 50 KFAA O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1)c1ccccc1I 101176315 VYBDFRMVPDMCAZ-IBGZPJMESA-N 590.683 2.924 0 50 KFAA CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 245327375 PBUNVLRHZGSROC-LCQWQHRSSA-N 577.726 2.521 0 50 KFAA in-vitro COc1ccccc1N1C(=O)[C@@H]2[C@H](C)N[C@@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@@H]2C1=O 247960863 OGNKSVOBEJANPK-XGJIUNBJSA-N 536.588 2.624 0 50 KFAA COc1ccc([C@@H]2Cn3nnc(CN4CCC(NC(=O)c5nn(C)c6ccccc56)CC4)c3CO2)cc1 263616869 KZILJMVMIUSODY-VWLOTQADSA-N 501.591 2.839 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2ccc(cc2)CNC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC1=O 952864187 MKPOCCAAFFFFMN-KBMIEXCESA-N 610.115 2.610 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)c2scc3c2OCCO3)CCCNC1=O 1704324404 OMFCWVBVPHITSN-QHCPKHFHSA-N 628.777 2.902 0 50 KFAA O=C1CN(C(=O)COc2ccc(Cl)cc2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1875242451 UBXVOSBTUZVIGZ-NDEPHWFRSA-N 646.148 2.903 0 50 KFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC(=O)N(CCC(C)C)CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCC1 2356137622 SBOUYGRZGVTCFT-UMSFTDKQSA-N 630.794 2.635 0 50 KFAA CSCC(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCNC2=O 952856056 FTQZIEJXSJXFOS-QHCPKHFHSA-N 539.654 2.625 0 50 KFAA Cc1cc2occ(CC(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)c2c(C)c1Cl 952862808 LXRZXKSATHJYRQ-IZZNHLLZSA-N 646.148 2.714 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3cnccn3)C[C@@H]1NC(=O)CN(C)C2=O 952865927 ZGHTVCWBCQCREV-IZZNHLLZSA-N 543.624 2.898 0 50 KFAA CN(Cc1nccs1)C(=O)c1cc2cc(c1)C(=O)N[C@H]1CN(S(=O)(=O)CC3CCCC3)C[C@@H]1Oc1ccc(cc1)CNC(=O)CO2 1772714578 XXWZOBCHZLXBGX-NSOVKSMOSA-N 667.810 2.806 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)c3cnc4ccccn34)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817464 MOXHAWMLIFYPBS-LPIXWXTCSA-N 801.967 2.627 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc3nc(C)[nH]c3c1)CCCCNC2=O 1857697098 VGNYUBUHJQQGDY-JAZJJNEZSA-N 771.872 2.969 0 50 KFAA C[C@@H]1NC(=O)CN(Cc2cnn(C)c2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356134680 XSZUGBPEOKAWFA-NRFANRHFSA-N 542.644 2.571 0 50 KFAA CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCOCC3)C2=S)cc1 12628642 GNRARTGRMAJGMM-JOCHJYFZSA-N 528.606 2.666 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)C1CCN(C(=O)C3CCCC3)CC1)CCCNC(=O)CC2 952857460 ZHQNWORGPCJOSU-VWLOTQADSA-N 655.837 2.527 0 50 KFAA COc1ccc2cc1OCCN(Cc1ccccc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704325178 YSRGFLJNYOMJEJ-AREMUKBSSA-N 505.619 2.710 0 50 KFAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]1NC2=O 2356162731 QHEYACDCFHGFPM-DQEYMECFSA-N 553.612 2.783 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(N)n[nH]3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 952862974 OPUFMRJNBPSCJW-LOSJGSFVSA-N 578.670 2.561 0 50 KFAA CC(=O)N1CC(=O)N[C@@H](CC(C)C)c2nc(cs2)C(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@@H](C(C)C)C1 1704323534 VAOMHZIJBYYLAX-CCDWMCETSA-N 622.796 2.963 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)C1CCN(CCO)CC1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857705179 WRRGZHJYHXMEQL-YTWZBVJHSA-N 800.954 2.791 0 50 KFAA Cc1nc2ccc(C(=O)N3[C@H]4CC[C@@H]3CNC(=O)c3cc(F)ccc3OCCNC(=O)C4)cc2nc1C 1857710705 LJLGELLEJSLQBU-VQTJNVASSA-N 505.550 2.688 0 50 KFAA O=C(N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 2325851323 WKPRDNKQMGLQKT-AABGKKOBSA-N 531.856 2.856 0 50 KFAA CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)S(=O)(=O)c1ccccc1 1173669 JSZYSUUCPKPOOG-UHFFFAOYSA-N 515.613 2.785 0 50 KFAA CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O 89469833 WXRGFPHDRFQODR-ICLZECGLSA-N 539.681 2.852 0 50 KFAA in-vivo CN(C)C(=O)N1CCC(C(=O)N2CC[C@]34C(=O)N(CC(=O)NCCCOc5cccc(c5)[C@H]23)c2ccccc24)CC1 952862635 PWZDEIUAOSVIDN-JTSJOTPCSA-N 559.667 2.537 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cccn2C)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704317975 LUQIYUUJSSACFO-AIJYVZMASA-N 672.827 2.963 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)C3CCC3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704336814 QJDVHYRNXVUCMF-QHWQCBGESA-N 771.960 2.750 0 50 KFAA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c3cccc([N+](=O)[O-])c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 109112705 YWMSBTBFCOTHTB-KMLWSWIRSA-N 592.598 2.729 0 50 KFAA biogenic COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(S(N)(=O)=O)cc3)nn2C)cc1Br 2332239285 DEAOCMNRIBOKOL-UHFFFAOYSA-N 507.410 2.820 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cc(C)n(C)c1C)CCCNC2=O 2356136305 OQNKUTILMMMYIB-MHZLTWQESA-N 579.702 2.719 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1cccs1 16730147 VTBHBFURLDSIDS-UBXANZILSA-N 500.598 2.504 0 50 KFAA Cc1ccc(S(=O)(=O)NC(C)(C)CN2CCN(CC(C)(C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 19832601 IYZHZXZQRMBSBP-UHFFFAOYSA-N 536.764 2.735 0 50 KFAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 59627288 JVXNQYZWBPSSEN-UHFFFAOYSA-N 538.586 2.756 0 50 KFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(Br)c(C)c4)C3=O)C2)n1 1875350750 ZBGTWQOLWANFCT-RXVVDRJESA-N 556.461 2.950 0 50 KFAA COc1ccc2cc1OCCCN(CC1CCOCC1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940193608 MLUMZNYTMRBDQE-MHZLTWQESA-N 575.710 2.914 0 50 KFAA COC(=O)c1ccccc1S(=O)(=O)N1CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)C1 2356135468 GGAIRBVBHKIXKX-QFIPXVFZSA-N 646.726 2.812 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CN(C(=O)c1cnc[nH]1)CC(=O)N[C@H]2C(C)C 2356138455 MLJWGTOUPBUGMJ-PWAGRJGVSA-N 618.720 2.964 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(S(=O)(=O)c3ccc(F)c(F)c3)C[C@@H]1NC2=O 2356161165 JKHAWPLWNYTIJX-BJKOFHAPSA-N 587.601 2.623 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cn(C)c4ccccc34)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162931 ULAPGSQLVLZTHW-WNJJXGMVSA-N 584.629 2.906 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 2259552 NPJSSQDUWHGURE-UGUGFTGJSA-N 517.607 2.934 0 50 KFAA COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O 225426837 XTAPIMZOTHVEDU-RFWXGWTQSA-N 587.629 2.682 0 50 KFAA biogenic COc1ccc(Cl)cc1C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704322635 NJCHEYGVNQFTRM-MHFIUEFXSA-N 754.310 2.583 0 50 KFAA Cc1ccn(CCC(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)n1 1704322906 QCGWPMLMLFUJCC-RKVVATLDSA-N 671.843 2.897 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(Cc2ccc(OCC(=O)O)cc2)CCCNC1=O 1704322921 SBZHDHKYWRFVIN-NDEPHWFRSA-N 624.764 2.893 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775980444 XTXXHTRLDOOSOO-BZKUTMRRSA-N 789.894 2.586 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2ccc(S(C)(=O)=O)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1857700871 AERGOVSQHWYKHT-MGBGTMOVSA-N 643.803 2.898 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2cccc3nccnc23)CC(=O)N(Cc2ccc(OC)cc2)C1 14538715 RNMXJLCHLUPHSA-DEOSSOPVSA-N 505.619 2.736 0 50 KFAA COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225423274 LWHXLSFJIZDZSM-ZWCUEREDSA-N 506.555 2.830 0 50 KFAA biogenic C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3ccccc3C(F)(F)F)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704317204 GFGQFSSVJUWGPT-XOBRKGAPSA-N 749.787 2.654 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCc2ccnn2C)CCCCNC(=O)[C@@H](C)NC1=O 1704322684 OWMMAYPALGHSTI-WHODAWOQSA-N 671.843 2.668 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)CCSc3ccc4c(c3)OCCO4)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322856 PGSCRYRCYQWIPE-NVQXNPDNSA-N 626.776 2.652 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(C)cc(C)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323972 KGZVIULGAHEOPZ-QVDUQQMDSA-N 635.806 2.672 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2scc3c2CCCC3)CCN(C)C(=O)[C@@H](C)NC1=O 1704324791 UHHIEUZZYJICPL-NBTXWSPXSA-N 749.960 2.862 0 50 KFAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1875254626 OUUBQZASNOLPDP-IBGZPJMESA-N 576.631 2.899 0 50 KFAA COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 100035685 MFDHAVFJDSRPKC-YXINZVNLSA-N 560.603 2.836 0 50 KFAA in-vitro CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704335267 MDEHTFOMSQHAOP-DCPSXUHMSA-N 676.840 2.717 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)[C@@H]2CCCCN2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704337769 ZFSMVKOAJJRVAL-SVBPBHIXSA-N 608.143 2.732 0 50 KFAA O=C(O)c1c(I)cc(I)c(O)c1I 4118743 GIAVHGFPMPSIFI-UHFFFAOYSA-N 515.810 2.904 0 50 KFAA in-vitro COC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)sc(C(=O)N(C)C)c1C 59775257 FXDLLTLMMWTBJN-UHFFFAOYSA-N 594.697 2.962 0 50 KFAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@H](O)[C@H](O)[C@@H]1O 253488107 XDLBSNLAIQNWON-MNASMCGMSA-N 697.612 2.893 0 50 KFAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCOCCOc2ccccc2OCCOCC1 254568807 KMHDWUBIIWOOQM-QRFYVXOVSA-N 668.788 2.768 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)CSc3nc(C)cs3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952865874 YVIXQVYHBRSWKB-ZEQRLZLVSA-N 597.719 2.746 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cccc(-c3cn[nH]c3)c1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952870029 QFBMVOHGTDGNNW-LZDWAJIASA-N 743.866 2.708 0 50 KFAA CC(=O)N1CCC(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)CC1 1616068779 PUKRMAFOUHIUKX-WDYNHAJCSA-N 576.694 2.744 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 1739774 PJHMTIAAJVOQQC-ZCCPQQFYSA-N 575.643 2.859 0 50 KFAA CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)c(=O)[nH]2)CC1 14998145 ZPKHMXSDPLPEKH-NRFANRHFSA-N 504.587 2.666 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)[C@@H]2SC1 15947422 CDTUWTAKKZRSFM-AVRDEDQJSA-N 520.947 2.736 0 50 KFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)N1CCOCC1 59749741 IDKBYYLNXIPEGK-UHFFFAOYSA-N 555.584 2.903 0 50 KFAA COc1ccc(CN2C[C@@H](C(=O)NCCN3CCOCC3)C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1OC 102382340 DINVNCMTCHXWMP-IZZNHLLZSA-N 550.700 2.718 0 50 KFAA CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1 254112279 DAIKHDNSXMZDCU-BVFVYWQFSA-N 525.602 2.659 0 50 KFAA biogenic O=C1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740227 DZESWFQDNHIFNE-LJAQVGFWSA-N 647.740 2.875 0 50 KFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN=c1cc(C)n(-c2cccc(F)c2)[nH]1 2325815438 NYMLSRJUPWVPIL-UHFFFAOYSA-N 501.584 2.976 0 50 KFAA Cc1cc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)ccc1Br 2877734 XCBNJQFBWVVTEL-UHFFFAOYSA-N 507.410 2.960 0 50 KFAA CCCN1CCC(N2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)CC1 23337833 QCYDKUGUAFWLTG-GMAHTHKFSA-N 503.047 2.567 0 50 KFAA Cc1nc(C)c(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)c(O)n1 952864771 ZOGJYCMPVFUFRB-IZZNHLLZSA-N 573.650 2.830 0 50 KFAA CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)OC 64858741 MIYHBYLJVGQRLI-QNFAVDQESA-N 637.796 2.919 0 50 KFAA in-vitro CCC(=O)OCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253487728 OZJXTWMDBPQRGI-DBTYADHSSA-N 862.064 2.680 0 50 KFAA biogenic CC(C)[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952868317 JQRXJTKBPUGUKZ-VWNXMTODSA-N 539.036 2.512 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2CCN(C(C)=O)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321761 YOGJZIDVNUSUEB-SOALVOCXSA-N 718.896 2.569 0 50 KFAA CCc1nc(C)c(C(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)o1 1704322120 FXZCIWSIEKUWJJ-MXSCXNJPSA-N 775.933 2.605 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)Cc1c(C)n[nH]c1C)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704326813 NOSRQXLAZFQTHQ-YFNKSVMNSA-N 509.651 2.921 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(Cc2cnc[nH]2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1772714573 XRDREEBSCRQXBS-VCITYQBUSA-N 645.805 2.707 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2nc(-c3ccco3)no2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775984439 UKZZAJOPVQMSFT-LGGPFLRQSA-N 662.748 2.797 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)C1CCN(C(C)=O)CC1)CCCCNC2=O 1857699323 MUBINEZOQYTZCO-JGCGQSQUSA-N 665.788 2.864 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CC(=O)N(C)C1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857725587 DMBOAFOZDJYVTA-XMMPIXPASA-N 545.640 2.579 0 50 KFAA CC(=O)N1CCC(C(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)CCc4ccccc4F)C[C@@H]3C(=O)NCC2)CC1 1875240768 IFSLLWFWIQIZKI-WDYNHAJCSA-N 592.712 2.986 0 50 KFAA COC(=O)[C@@H]1[C@]2(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n3[C@@H]3c4ccccc4O[C@@]312 8443743 JSKDYXMZPOACEA-MWDNMIRPSA-N 503.363 2.666 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)[C@@H]2CCCO2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704326814 NPEABKVSJTWYLO-BDYUSTAISA-N 595.100 2.769 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2csc(-c3cccs3)n2)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704340798 URROOKSKPYVVFE-FKGMGJIZSA-N 775.954 2.693 0 50 KFAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 1772714407 PDZPAQHEXSIJEC-KZNIJNHCSA-N 672.783 2.526 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)c1cnn[nH]1)CCCC(=O)N[C@H]2Cc1ccccc1 1857691097 UMZBENFCYMALHN-RDPSFJRHSA-N 633.735 2.751 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(S(=O)(=O)c1cc(C)nn1C)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857697349 QQEFBPXLDBNMFC-UCGGBYDDSA-N 803.939 2.991 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1CC(=O)N1CCc2ccccc21 2100533564 UZAFSQJYXASOQC-LOSJGSFVSA-N 548.684 2.627 0 50 KFAA O=C1CCc2cc(OC[C@@H](O)CNc3ncc(C(F)(F)F)cc3S(=O)(=O)N[C@H]3CCSC3)ccc2N1 2325822993 ATDKHBHTMSZLBC-HOTGVXAUSA-N 546.593 2.621 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CCN2CCCCCC2=O)CC1=O 2356139368 PVXSJVZMDAZFGM-MGBGTMOVSA-N 595.785 2.740 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)Cc3cccc(F)c3F)C[C@@H]1NC2=O 2356162721 PWNBVZNFHPBAFZ-LVXARBLLSA-N 581.572 2.622 0 50 KFAA COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)c3cc4ncccn4n3)CC2=O)cc1 14744407 GBFUTOVFDDWWMU-JOCHJYFZSA-N 503.534 2.947 0 50 KFAA CS(=O)(=O)N1CCC(Nc2cc(CN3CCS(=O)(=O)CC3)cc3cc(-c4ccccc4)[nH]c23)CC1 95628446 OXROWZRDUZOTSG-UHFFFAOYSA-N 516.689 2.901 0 50 KFAA in-vitro CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O 100838257 DJNNEWDXMRYRBS-LNXFQTKESA-N 580.615 2.666 0 50 KFAA COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225419141 IKIZORIANMGOGN-IMFGXOCKSA-N 522.554 2.536 0 50 KFAA biogenic COC(=O)CNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 253414245 WWTGIXKCEXDWHN-UNMCSNQZSA-N 587.695 2.686 0 50 KFAA biogenic CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC[C@@H]1OCc1cccc(c1)O2 1615709580 XXNUAVZVWMKUHM-WDYNHAJCSA-N 621.735 2.959 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(Cc2cc3ccccc3o2)CCCNC1=O 1704323797 ZMSJUKFBHAHILR-VTTCDHFQSA-N 589.737 2.908 0 50 KFAA CC(C)C[C@H]1NC(=O)CCCN(C(=O)c2scc3c2OCCO3)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713151 APYGVGOPDXIHQG-RBBKRZOGSA-N 637.763 2.538 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCc1nc(O)c3c(C)c(C)sc3n1)C2 1857690878 QGBPTJRDHUWEDQ-XIFFEERXSA-N 652.818 2.705 0 50 KFAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)CCC(=O)Nc1ccc2c(c1)CCC2 1857740101 HZWAFAIUHJMOML-XZOQPEGZSA-N 536.604 2.721 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCC(=O)Nc1ccccn1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292168 ZLMDFGGBRLANGZ-BAFCLAHJSA-N 540.624 2.511 0 50 KFAA O=C1C[C@H](N2CCN([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)CC2)C(=O)N1c1ccc(Br)cc1 100289034 UADCVHYYJHDAST-BGYRXZFFSA-N 590.272 2.793 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nnn[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 217707873 ADHMNORVDPKUGL-FQEVSTJZSA-N 565.631 2.987 0 50 KFAA biogenic CC[C@@H]1NC(=O)CCCN(C(=O)[C@H]2CCCNC2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857704471 STVCIMGVSKEARX-ZCYQVOJMSA-N 611.715 2.880 0 50 KFAA O=C1CN(C(=O)CCCc2nc(-c3cccnc3)no2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857739050 AZADGOHRIDVSNA-LJAQVGFWSA-N 692.781 2.639 0 50 KFAA O[C@@H](CNCc1c[nH]nc1-c1ccc2c(c1)OCCO2)COc1ccc(I)cc1 2325861138 GSRQDLZXQPFSQT-KRWDZBQOSA-N 507.328 2.982 0 50 KFAA COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426932 LXXSWQWEGWTTQK-SLYNCCJLSA-N 564.591 2.601 0 50 KFAA biogenic COCc1c(CNC(=O)C[C@H](c2ccc(OC)c(OC)c2OC)c2c(O)cc(C)oc2=O)cnc(C)c1N 263586687 WXSSTINVZZFZMO-GOSISDBHSA-N 527.574 2.950 0 50 KFAA biogenic COc1ccccc1CNC(=O)CN1C[C@@H]2NC(=O)CN(C)Cc3ccc(OC)c(c3)Oc3cccc(c3)CO[C@H]2C1 952865893 XGSWZZMINNJVQX-YZNIXAGQSA-N 574.678 2.944 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CCNC(=O)COc2cccc(c2)C1 1857700084 MAJQFJLEXQMVNC-PGUFJCEWSA-N 647.773 2.834 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(-c3cccn3C)[nH]n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533351 LFVRAAIFNCVTRG-RUZDIDTESA-N 586.697 2.851 0 50 KFAA NC(=O)C[C@H](c1cccc(Br)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 409413852 LEDOXMJBMMGSRT-OXFYSEKESA-N 540.414 2.896 0 50 KFAA biogenic COc1ccc2cc1OCCCN(C(=O)c1cnn3ccn(C)c13)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775979018 RXUMAJKNDMIPQR-RUZDIDTESA-N 625.686 2.913 0 50 KFAA CCc1c(C)cc(C(=O)N2CCCCNC(=O)[C@@]3(CCCc4ccccc43)NC(=O)CN(CCC(C)C)C(=O)C2)c(=O)n1C 2356137314 JWKWVDHFYRMRFG-UMSFTDKQSA-N 605.780 2.831 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 100594969 YCJBTKVNZWXPLH-HVRVZBDQSA-N 564.357 2.725 0 50 KFAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 575440713 SIGOVPKCEGADHD-UHFFFAOYSA-N 670.834 2.616 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(C(C)C)on2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980146 VXBBHMYJXLCZMP-DCFHFQCYSA-N 609.728 2.947 0 50 KFAA CCOC(=O)C1CCN(S(=O)(=O)N2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)CC1 1857700961 DZHVPEDOACTLLW-XMMPIXPASA-N 535.707 2.995 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857710655 IXICSZIQKUYBHX-LJAQVGFWSA-N 673.752 2.717 0 50 KFAA O=C1NCCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875240513 WBVYJLSPJLFZJH-HBTLOVQCSA-N 578.613 2.822 0 50 KFAA Cc1nc[nH]c1CN1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 1940197524 XESUEWBFJPYMMO-HSZRJFAPSA-N 507.639 2.513 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](c1ccccc1)CNCC(=O)N[C@H](CC(C)C)c1nc(co1)C(=O)N[C@H]2C 2356136162 ITDMUNLMCONLTB-KFKAGJAMSA-N 508.579 2.740 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)CCc3ccccc3F)C[C@@H]1NC2=O 2356163085 WXPQLSMTPRJHBR-FIPFOOKPSA-N 577.609 2.873 0 50 KFAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@@H]1NC2=O 952857919 YMZJFBFRVVUKAP-OZXSUGGESA-N 530.585 2.617 0 50 KFAA CC(C)c1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c(O)n1 952859340 RFFIDUZZIRVQIN-GMAHTHKFSA-N 541.008 2.778 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3n[nH]cc3Cl)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319350 VRNRNFWKOIJTCO-NVMQPKSPSA-N 818.376 2.640 0 50 KFAA COc1ccc(C(=O)[C@@H](NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2oc(C)cc(=O)c2O)cc1 1848442694 GAUSXDMWTGJXNJ-XMMPIXPASA-N 535.553 2.912 0 50 KFAA CC(C)S(=O)(=O)c1ccccc1N=c1[nH]c(Nc2ccc(N3CCN(CCOCCNC(=O)CNc4cccc5c4C(=O)N([C@H]4CCC(=O)NC4=O)C5=O)CC3)cc2)ncc1Cl 2357003037 NFXUYJNRWVKYFF-XIFFEERXSA-N 887.420 2.989 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)c1cncc(=O)[nH]1)CCCC(=O)N[C@H]2Cc1ccccc1 1772817460 MLTIQVJGIKFWRC-LVXARBLLSA-N 660.757 2.716 0 50 KFAA Cc1ccnn1CCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704322084 FEBGONXQQYHKIX-RKVVATLDSA-N 671.843 2.897 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCc1cc(Cl)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704324019 LBPPFIZYCJWEMI-ITAFUGMPSA-N 739.270 2.660 0 50 KFAA Cc1nc(C)c(C(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(C(=O)c4cnc5cccnn45)CC(=O)N[C@H]3C2)s1 2100533759 YZPCXJJJGSDXGD-PKTZIBPZSA-N 573.679 2.842 0 50 KFAA COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1066176 DIFHFQKTSULUIU-UHFFFAOYSA-N 501.355 2.512 0 50 KFAA CC(=O)NCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CN(Cc2c[nH]c3ccccc23)C1 14532532 FONFZSCSQHODKE-XZOQPEGZSA-N 501.631 2.986 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952858040 ZZQPGSVEIADYLF-GASGPIRDSA-N 703.862 2.598 0 50 KFAA O=C1CCCN(C(=O)c2c[nH]nc2C2CCCCC2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857739814 UFWXABQUGSJMJK-NDEPHWFRSA-N 614.751 2.774 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(S(=O)(=O)c1cc(-n3cccn3)ccc1OC)CCNC2=O 1875241112 OBTPYNVFUROTQB-HSZRJFAPSA-N 700.778 2.839 0 50 KFAA Cc1cn(-c2ccc(Cl)cc2)[nH]c1=NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 1875353336 PIXTVKAILOQGHY-UHFFFAOYSA-N 504.772 2.503 0 50 KFAA COc1ccc(Cl)cc1C1(CNC(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)CCOCC1 2325899255 XTNRQDNJIIHDTA-OAQYLSRUSA-N 541.004 2.980 0 50 KFAA O=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(Cc3cccnc3)C4=O)cc2C(=O)N1Cc1cccnc1 852570 LDQHZHMCHLGSSV-UHFFFAOYSA-N 538.541 2.902 0 50 KFAA CO[C@@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC)[C@@H]1NC(=O)c1ccccc1 4565687 AQQYYMVCHAXJFN-MOHFTYJVSA-N 518.566 2.827 0 50 KFAA C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 245255945 MWJXSRGNDPKFQC-UPYNIBQZSA-N 506.562 2.615 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2c(C)noc2C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772707258 ZRTHIWNTVCDCGQ-WBSLJOCPSA-N 708.861 2.961 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)C3CCOCC3)C[C@H]1NC(=O)CN(C)C2=O 1616108117 CJSJLJHIVVOIEN-RPBOFIJWSA-N 521.614 2.902 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccc(S(N)(=O)=O)cc1)CCCCNC2=O 1857699629 XCLXMNPATMDSMA-WJOKGBTCSA-N 695.795 2.567 0 50 KFAA COc1cc2c(cc1CN1CCCCOc3cccc(c3)[C@H]3CN(C(=O)CN4CCOC4=O)C[C@@H]3NC(=O)C1)CCC2 2100533456 PTBQMHCSZVQWJO-IZLXSDGUSA-N 576.694 2.722 0 50 KFAA Cc1noc(C)c1C[C@@H](C)Nc1ccc(S(=O)(=O)N2CCOC[C@H](n3cncn3)C2)c2ccncc12 2325823155 HHKYPMUEFMYXET-VQIMIIECSA-N 511.608 2.736 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)c3c(C)nc4sccn34)C[C@@H]1NC2=O 2356160584 YYSWREPFMKMQHP-FCHUYYIVSA-N 575.647 2.814 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(Cc2cncnc2)CCCCNC(=O)[C@@H](C)NC1=O 1704305509 WYHVHAHASHUCRL-SDDUWZMOSA-N 627.790 2.766 0 50 KFAA COCCC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(CC3CC3)nc2[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1857703324 ZKSLWJQIKACZQF-SCNURPGISA-N 701.869 2.823 0 50 KFAA COc1cc(Cl)cc2cc(C(=O)N3CCCCNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)c4cccc(c4)OCCNC(=O)C3)oc12 1857741582 ZFBMCYYERLWBKM-DEOSSOPVSA-N 637.093 2.706 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCc2cccnc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940198243 XULWPKVFVRRLAX-AREMUKBSSA-N 546.672 2.836 0 50 KFAA Cc1cc(C(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)nn1C(F)F 2356135917 YKIDQDBNFLIANC-CPLYKCMESA-N 526.588 2.665 0 50 KFAA CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 256069931 CBVCZFGXHXORBI-QJLJCAMVSA-N 613.803 2.867 0 50 KFAA in-vitro O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 606303453 SFAFLCDMDCLRMS-UHFFFAOYSA-N 781.893 2.792 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)CSC)CC(=O)N1CC2 1704324246 ZQNHFIDLNHEFOE-SANMLTNESA-N 500.617 2.779 0 50 KFAA O=C(Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1)NCc1cccc(F)c1 1875328362 NTQOEXRQYBXNAM-UHFFFAOYSA-N 576.654 2.952 0 50 KFAA Cc1cc(C)n(CCC(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)Cc4csc(C)n4)C[C@@H]3C(=O)NCC2)n1 2100534206 YCFABNUWSPJLGT-SXOMAYOGSA-N 578.739 2.867 0 50 KFAA Cn1c(CNC(=O)c2ccc(Br)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1 59612488 XRJQBASOTRFSAP-UHFFFAOYSA-N 529.464 2.949 0 50 KFAA CC[C@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@H](CN3C[C@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@]34O[C@]5(O)[C@H](OC(=O)[C@](C)(OC(C)=O)[C@@H](C)OC(C)=O)CC[C@@]3(C)[C@H]5C[C@@H](OC(C)=O)[C@H]4[C@@]21O 253487100 DWJHOAWDSIQEDR-PSMHWRCDSA-N 878.022 2.749 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)C3CCOCC3)C[C@H]2C(=O)N1 1704321391 MDPSEDACZVKGLQ-AOCBXUSMSA-N 579.742 2.668 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cc[nH]c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857741300 MNQYEAUWUCMVDG-LADGPHEKSA-N 587.637 2.621 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCS(=O)(=O)N3CCSCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263585893 NPGSYUIQPSITNX-AHWVRZQESA-N 708.925 2.891 0 50 KFAA biogenic COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccccc3OC)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 263586334 SSAKRCIAUGIXDA-OSDLZFKDSA-N 556.619 2.797 0 50 KFAA biogenic COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C3CCN(C(=O)c4ccccc4)CC3)C[C@@H]1NC2=O 1704321474 QAMHDFWYPPYIRF-FIBWVYCGSA-N 584.673 2.870 0 50 KFAA CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21 16679922 QGIQMSXODMZKCL-UGUGFTGJSA-N 517.607 2.932 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2CCOCC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321896 DAPLQLMQRPGTIN-APGDKJRLSA-N 677.843 2.737 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)c1ccccn1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857698116 XYTNNBJHFGFJPF-HEIROHQZSA-N 688.782 2.819 0 50 KFAA O=C1CCC[C@H](CC(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@H](O)Cc2cc(Cl)cc(Cl)c2)N1 2325876852 CHMFCPPNQYGCCD-UMCMBGNQSA-N 504.414 2.854 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCOCC4)o3)c(=O)n2[C@H]1c1ccccc1OCC 1201712 XKNHGVOYRYZFCG-RTWFUWSXSA-N 523.611 2.627 0 50 KFAA COC1=C([C@@H](c2cc(OC)c(OC(C)=O)c(OC)c2)c2cc3c(cc2OC(C)=O)OCO3)C(=O)OC1 17729558 HOYATAVCBCTIKQ-QFIPXVFZSA-N 500.456 2.872 0 50 KFAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704321643 DITHMLCVFRHHGL-JEOUDZPDSA-N 741.355 2.645 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc3c(nc2OC)CCC3)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979687 LJUCAUUFRHJFDS-LGGPFLRQSA-N 647.777 2.728 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)c1[nH]nnc1C)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857703309 YSDRBESHEPSBTK-QCDSWUKFSA-N 754.845 2.827 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(CCCc2ccccc2)CCNC(=O)COc2cccc(c2)C1 1857709733 OFMCOMHGSFBZPF-WJOKGBTCSA-N 553.700 2.765 0 50 KFAA CCn1nc(C(F)(F)F)cc1C(=O)NC[C@H](NC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(F)cc1 2325877079 IMQDZTCLWKAGJN-RDJZCZTQSA-N 501.506 2.570 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ncoc1C)CCCNC(=O)[C@H]1CN(C(=O)Cc3csc(C)n3)C[C@H]21 2356162838 REDLWFBGTWGFTQ-YADHBBJMSA-N 567.668 2.582 0 50 KFAA CC[C@H](Cc1c(I)cc(I)c(O)c1I)C(=O)NCC(=O)O 97976903 CARJRHXMKCWDMC-ZCFIWIBFSA-N 628.970 2.976 0 50 KFAA CC1=CC(C)(C)N(C(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c2cc3c(cc21)OCO3 334160417 DKNUHRJQLWSHBX-VWLOTQADSA-N 505.571 2.928 0 50 KFAA CSc1ccccc1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863719 FJZQZPZRWXBKPI-DEOSSOPVSA-N 546.697 2.713 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c3nnc4n3CCCC4)CC[C@@H]1OCc1cccc(c1)O2 1615697065 WPJDDZBROZSXEV-FTJBHMTQSA-N 588.665 2.807 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)CN2CCCCC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817242 JUEDPMTWIGODIO-CUNXSJBXSA-N 621.764 2.716 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccc(N(C)C)nc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1857699540 SCTXJTWQQONCQU-VJSXAPQFSA-N 769.944 2.891 0 50 KFAA COc1cc(NC(=O)C(=O)N=c2ccn(-c3cc(F)c(F)cc3F)[nH]2)ccc1NC(=O)c1cccnc1 1875353256 NNWSVYPKJOWXKN-UHFFFAOYSA-N 510.432 2.945 0 50 KFAA CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 8583629 DZUPRSTWYBCRJP-LJQANCHMSA-N 539.079 2.534 0 50 KFAA CC(C)(C)OC(=O)CCOCC(N)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C 72191301 KPXODPHVWBQJEG-UHFFFAOYSA-N 505.649 2.929 0 50 KFAA in-vitro COc1ccc2cc1OCCN(C(=O)CCc1ccsc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704324360 NLSIWQRCQZNMBY-AREMUKBSSA-N 553.685 2.731 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)CCc2c(C)noc2C)CCCNC(=O)COc2ccc(cc2)C1 1775980442 ASEDOAQTBJPTTB-YTTGMZPUSA-N 614.740 2.676 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857708820 OXBXXCZOILXXCH-IPRQJHLYSA-N 603.768 2.621 0 50 KFAA CCCCNC(=O)[C@H](c1cnn(CC2CCOCC2)c1)N(CC1(O)COC1)C(=O)c1ccc(OCCC)cc1 2325823430 SLEOXFVMTVGAPW-SANMLTNESA-N 542.677 2.960 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)COc4ccc(-n5cnnn5)cc4)C3)CN1C(=O)CC2 2356134211 DSNXKZAKQDWTPZ-JDBUMTGOSA-N 645.761 2.599 0 50 KFAA O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4cccc(Br)c4)C3=O)CC2)C(=O)N1c1cccc(Br)c1 23291090 CIIXJKDJAQBYCY-PMACEKPBSA-N 590.272 2.793 0 50 KFAA Cc1ccc(C(OC[C@@H]2O[C@H](n3ncc(N)nc3=O)[C@@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 254546611 WINPBGKQLPWUPD-VNNZRSTGSA-N 528.609 2.774 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1ccc3c(c1)ncn3C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952868910 VHVFDVSMGCVADI-LJAQVGFWSA-N 650.740 2.798 0 50 KFAA O=C1CCNC(=O)c2cc(OCC3CC3)cc(c2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]2N1 1616067096 GUWUCDQTBULVMI-IZLXSDGUSA-N 573.650 2.900 0 50 KFAA Cc1cn(CC(=O)N2CCCC(=O)N[C@@H](Cc3ccccc3)c3nc(c(C)o3)C(=O)N[C@@H](C(C)C)c3nc(cs3)C(=O)NCC2)c(=O)nc1O 1772818200 PEMDZJJXMRKAFI-HOFKKMOUSA-N 704.810 2.590 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(Cc1cnn(C)c1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356136103 GTMRHJAGKIKRGY-HVETUWLQSA-N 570.720 2.748 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CN(C(=O)CN1CCN(c3ncccn3)CC1)CC(=O)N[C@H]2C(C)C 2356139809 YZDJZQBHEGVUJT-DNBKINIGSA-N 728.880 2.539 0 50 KFAA COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225413910 BQUZYHQDZLECFO-KPFFTGBYSA-N 522.554 2.536 0 50 KFAA biogenic CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253387648 NSYZCCDSJNWWJL-VJOLQVQYSA-N 862.064 2.680 0 50 KFAA biogenic COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc(-c4ccsc4)[nH]n3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952862584 BVMRDAXVWRNGLA-YOHGMWRPSA-N 769.925 2.988 0 50 KFAA Cc1nc2ccc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)cc2[nH]1 952862687 KLLPLYCFUYEMFY-AREMUKBSSA-N 590.660 2.640 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3cn(CCO)nc3C)C[C@@H]1NC(=O)CN(C)C2=O 952863780 CZGVQYXOCDHSQB-RRPNLBNLSA-N 547.656 2.646 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)c2cnc[nH]2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704323208 BLUZOJUFPHBWEH-DEOSSOPVSA-N 591.072 2.627 0 50 KFAA Cc1cc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)nc(C)n1 1772818108 MAAKDUXKXHIGBM-LVXARBLLSA-N 630.731 2.951 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2cc3ncccn3n2)CCNC(=O)COc2ccc(cc2OC)C1 1775982147 QWWMAHBYHFWBLA-XIFFEERXSA-N 636.750 2.814 0 50 KFAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1)[C@@H](C)O 150662994 GHCVLHGJWDFNIU-UTXZPQIZSA-N 724.811 2.985 0 50 KFAA CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C 166796477 GHSKUVKACGPNGN-CZYGJQDOSA-N 636.691 2.748 0 50 KFAA biogenic Cc1noc(C)c1S(=O)(=O)N1CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc2[C@H](C(C)C)NC(=O)C1 1857740170 BNIVDPZNRLZCBK-SANMLTNESA-N 621.720 2.877 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)[C@@H](N)C(C)C)C3)CN1C(=O)CC2 2356139982 OSVBHZIMRVRAHP-ZSSMMQHUSA-N 542.721 2.528 0 50 KFAA O=C1NCCCCN(C(=O)c2ccc3scnc3c2)CCCN(C(=O)c2ccccc2)[C@@H]2CN[C@H]1C2 1704321962 FOTFOSUFODLFPB-GMAHTHKFSA-N 505.644 2.912 0 50 KFAA COc1ccc(-c2ccc(C(=O)N3CC(=O)N[C@@H](C)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc4ccccc4)C3)o2)cc1 1704335339 DMUREYKXERWIHF-AHUSWPKASA-N 657.768 2.775 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCC(=O)Nc1nccs1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292130 QEUUIRLEFXOGHY-PNOLHXSVSA-N 546.653 2.573 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1cc(-c2cnn(C)c2C)on1 2100533858 IKZXYNYOCQAEAQ-FCHUYYIVSA-N 578.670 2.575 0 50 KFAA Cn1cnnc1C1CCN(Cc2cc(-c3ccccc3)ccc2OCC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 12158611 WKBGIHCHJQHAQY-DEOSSOPVSA-N 523.659 2.544 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(Cl)cc1 102304792 LELQLBCFQCBZKB-KIHONOKQSA-N 540.981 2.912 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCN3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 253413659 VJAPMRSBEJJZAV-AHWVRZQESA-N 628.792 2.845 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 263585865 NIVBKRIPTWVIJR-QFIPXVFZSA-N 541.645 2.944 0 50 KFAA biogenic COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3cccc(F)c3)CCCNC2=O)N(C(=O)c2cccn2C)C1 1704323249 DWOODYVBOKHWOI-XCZPVHLTSA-N 633.721 2.936 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(Cc2cnc[nH]2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1772714572 XRDREEBSCRQXBS-SVIHCMKNSA-N 645.805 2.707 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)Cc2cccc(F)c2F)CCCNC(=O)COc2ccc(cc2)C1 1775977069 DJMGIPMQAATTFL-JGCGQSQUSA-N 617.690 2.960 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940195665 WTBKQNOGOUSNRO-MUUNZHRXSA-N 613.719 2.609 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 2298164 HPOWYITWDJQJNO-VVOOWDFBSA-N 510.568 2.530 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3ccc(Cl)s3)CC2)C(=O)N[C@H]1Cc1ccccc1 952865183 UPALUSQKFPRORS-FQEVSTJZSA-N 541.077 2.706 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)Cc2c(F)cccc2Cl)CCNC(=O)COc2cccc(c2)C1 1775983963 FHKDDBKNMYEQPR-PMERELPUSA-N 606.091 2.694 0 50 KFAA C[C@H](NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 1875352516 JZAXRRVTQJTRFL-UKDJSQQHSA-N 592.722 2.721 0 50 KFAA CCOC(=O)c1c(NC(C)=O)sc2c(OC[C@@H](O)CN3CCOCC3)c(Br)ccc12 17903323 RDIAGXMOVLEVTA-ZDUSSCGKSA-N 501.399 2.871 0 50 KFAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@@H](O)[C@@H]1O 150426248 XDLBSNLAIQNWON-ZLGSUQINSA-N 697.612 2.893 0 50 KFAA CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 252441447 WIGHCPZBXOGLKE-JOPAPJHNSA-N 780.993 2.882 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(C)c(-c3ccccc3)s2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704317998 MNOZMEHOJMNIEC-KSVAUGNOSA-N 758.942 2.601 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2cnc(-c3cccnc3)nc2C)CCCNC(=O)COc2ccc(cc2)C1 1857697028 IGLLNECUYPRDTA-DHUJRADRSA-N 660.772 2.913 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CCn3ccccc3=O)C[C@@H]21 1875242326 SHAJPVZNEWQJID-LEWJYISDSA-N 503.555 2.802 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccon2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817807 RYPKYFDVBNLCTI-CVDCTZTESA-N 591.650 2.532 0 50 KFAA COc1ccc(C(=O)[C@H](NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c2oc(C)cc(=O)c2O)cc1 1848442693 GAUSXDMWTGJXNJ-DEOSSOPVSA-N 535.553 2.912 0 50 KFAA COCCC[C@@]1(C(=O)NC2CCN(c3ncccn3)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857698350 MPYWIJFCGOOOBA-DHUJRADRSA-N 654.772 2.506 0 50 KFAA CS(=O)(=O)N1CCC(c2cn(Cc3ccc(C(=O)N4CCc5c(C(=O)O)ccc(F)c5C4)cc3)nn2)CC1 1875325360 WEIAUTAEAGJYJS-UHFFFAOYSA-N 541.605 2.501 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cccs1 16805501 MNPKEQKPAACJIZ-FNGUVFISSA-N 500.598 2.504 0 50 KFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCNC(=O)c1ccc(CN(Cc2ccccn2)C[C@H](O)CN(Cc2ccccn2)Cc2ccccn2)nc1 161772431 UDSBDKQVXFAEAK-IKMFDISRSA-N 766.973 2.904 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 255961600 ABCCPEXHAJFNOT-CCDWMCETSA-N 544.693 2.568 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccnc3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857706268 NLZXUFFOUPRKAB-QIHOXZLRSA-N 682.738 2.506 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)c1cc[nH]c1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356136074 FXFHKGBBDHNAFY-LPTQZCDUSA-N 569.688 2.982 0 50 KFAA O=C(c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 8427160 WPSTZYZZHCHIRE-UHFFFAOYSA-N 610.494 2.532 0 50 KFAA CCOP(=O)(OCC)[C@@]1(C)[C@@H](COC(=O)NCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)CC=[N+]1[O-] 64857826 UAQUUBGIOJZAFO-ATLFPWEJSA-N 591.668 2.528 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1cccs1 100805461 ZRQWIVXUGDLUOS-WYWXSHKMSA-N 526.592 2.710 0 50 KFAA CCC[C@H](C)C[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 257372309 GPIYLYZFGAXYSU-BCMLYCPJSA-N 721.838 2.564 0 50 KFAA in-vitro CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)/C=C/c2ccccc2)CCNC1=O 952863408 IUNILLNKIQCWIG-MUNMYPBESA-N 562.646 2.855 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1cnc3cccnn13)CCCCNC2=O 1857688872 SYRWUDWQTLBDDZ-WJOKGBTCSA-N 657.728 2.962 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc3nccnc3c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702379 LCEKHNJBCFBXRE-GJIDWEHCSA-N 689.777 2.756 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 657057 BSJMVSVTJFIJRT-JUTHHCEFSA-N 508.552 2.544 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC 2987339 KUNXZDXYCPUDJW-IZBTWGKQSA-N 524.595 2.833 0 50 KFAA O=S(=O)(c1cccc(S(=O)(=O)N2CCCCC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 4005973 XOXIQJIFNXKJJG-UHFFFAOYSA-N 512.675 2.869 0 50 KFAA CCOC(=O)C1=C(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)NC(=O)N[C@@H]1c1ccco1 138422294 CQFLGQNWBARCKL-JOCHJYFZSA-N 531.587 2.791 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)Cn3cnnc3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952857580 YEZZYDYAEWIDLE-SVBPBHIXSA-N 576.654 2.636 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cn3nc(C)c(C)c3C)C[C@@H]1NC(=O)CN(C)C2=O 952861623 CQADXSPUDBJGNX-BDYUSTAISA-N 545.640 2.907 0 50 KFAA COc1ccc(N2CC=CCOC[C@]3(CCNC3)C(=O)N3CC[C@@](C)(C3)NC(=O)c3cc(ccc3Cl)S2(=O)=O)cc1 1875369636 ABJMOQHVPWQRJU-URLMMPGGSA-N 603.141 2.831 0 50 KFAA CCOC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13879918 TWVXSNGEPVYUQG-UHFFFAOYSA-N 506.552 2.594 0 50 KFAA O=C1NCc2ccc(cc2)CNC(=O)c2cccc(n2)C(=O)NCc2ccc(cc2)CNC(=O)c2cccc1n2 59127793 YSULKCZBECAATG-UHFFFAOYSA-N 534.576 2.510 0 50 KFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 253522746 PORLQGCIBQPFNX-OFQZEYTCSA-N 606.665 2.523 0 50 KFAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CN2C(=O)[C@H](C(C)C)NC1=O 952864220 NBPMGWQVUIKVKS-CWPIJUQSSA-N 732.826 2.549 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(Cc2nc3ccccc3[nH]2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321814 AUAANCIQABHOLF-RJSONGRPSA-N 768.945 2.983 0 50 KFAA Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1875254627 OUUBQZASNOLPDP-LJQANCHMSA-N 576.631 2.899 0 50 KFAA CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3c(C)nn(C)c3C)C4=O)CC2)C1 11913116 FXSNUXORUIPKPJ-NRFANRHFSA-N 535.645 2.851 0 50 KFAA COC(=O)C[C@H](c1ccccc1OC)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225418249 UWBTVLSCNQZHQI-LVCYWYKZSA-N 506.555 2.830 0 50 KFAA biogenic CCCCc1ncc(CN2CCCCNC(=O)[C@@H]3C[C@@H](CN3)Oc3ccc(cc3OC)CCC(=O)NCCC2)[nH]1 1704321461 PSOWALRTEZTJNT-DQEYMECFSA-N 554.736 2.721 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)C1CCCCC1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713849 UIVXBYIETXUKAP-UHSQPCAPSA-N 593.773 2.836 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772817727 VSZCSBRKGCKJKP-MUUNZHRXSA-N 729.830 2.665 0 50 KFAA Cn1c(=O)c2c(nc(SCC(=O)Nc3ccc4c(c3)OCO4)n2Cc2cccc(Cl)c2)n(C)c1=O 677971 CLVNJCCVUGHTTK-UHFFFAOYSA-N 513.963 2.595 0 50 KFAA biogenic CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@H](Cc2ccccc2)NC1=O 1704322832 QEUWRSLCCRFMLH-JWKHEQCESA-N 643.741 2.892 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H](Cc2ccccc2)NC1=O 1704337265 PZNKXRGMEAYFSI-NIXYAPBQSA-N 629.680 2.525 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3nn(C)cc3Cl)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713692 QLOVORIGQRYBEQ-MVZBJVRXSA-N 764.324 2.817 0 50 KFAA CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)COC(=O)CC(C)C 1772820294 ZWCCPUWSKJGJNH-QSOJMHQCSA-N 642.739 2.976 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccnc2OC)CCNC(=O)COc2cc(ccc2OC)C1 1775982538 RIXVWUREOWAYEN-YTTGMZPUSA-N 610.708 2.538 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)c1cccn3cnnc13)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356136208 KOWGRCSTRHEVLH-HVETUWLQSA-N 621.724 2.697 0 50 KFAA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@@H]1O)C3(C)C)[C@@H](O)C2 261507662 KVVHJCZXSZVOLS-XQMHDCASSA-N 546.796 2.511 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1615696161 IQEVPVBWFHEFLJ-IZLXSDGUSA-N 649.745 2.509 0 50 KFAA COc1ccc(/C=C/CN2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1 1772817654 PYKCBYLZNSXRKL-GNUSDYQLSA-N 672.831 2.702 0 50 KFAA COc1ccc([C@@H](CC(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)c2c(O)n3ccccc3nc2=O)cc1 1776111877 VQKLPMFPFYHORQ-OAQYLSRUSA-N 543.555 2.905 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)Cc2ccc3c(c2)OCO3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857740177 BVJSNOBEZLNQFL-AZGAKELHSA-N 656.696 2.951 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497383 JWTWVAVUQMMSIC-KLMIGJKJSA-N 592.981 2.933 0 50 KFAA COc1ccc([C@H](CC(=O)NCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC 263584905 BZOPIFKMGLEQDF-URVUXULASA-N 607.660 2.516 0 50 KFAA biogenic CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(-c3ncc[nH]3)s2)CCNC1=O 952862922 NRFVLFHCRSZXSV-JOCHJYFZSA-N 608.700 2.907 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C(C)C)CCCCNC(=O)[C@@H](C)NC1=O 1704322204 KIHUSMCKYOWULH-OFQAEJFBSA-N 605.780 2.958 0 50 KFAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCCCNC(=O)[C@@H]2C[C@@H](CN2)N(C(=O)c2ccccc2)CCC1 1704322473 IILCJDRDQBVWHO-AHWVRZQESA-N 528.657 2.702 0 50 KFAA COCC[C@@]1(C(=O)NC2CCN(c3cccc(C)c3)CC2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1857703278 PEEGANNBPPIYEC-UMSFTDKQSA-N 607.796 2.730 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 101129060 KWMZCGYMWGACSZ-YXDQGSNCSA-N 582.631 2.758 0 50 KFAA NC(=O)CN(c1ccccc1)[C@H]1SC(=O)N(Cc2ccc(CN3C(=O)S[C@@H](N(CC(N)=O)c4ccccc4)C3=O)cc2)C1=O 150426039 NLMOFQKGRHIHFE-HNRBIFIRSA-N 632.724 2.713 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2nnc3n2CCCC3)CCCCNC(=O)[C@@H](C)NC1=O 1704325714 PWYCNZHRBQMNFH-TZFWCWEWSA-N 684.842 2.544 0 50 KFAA Cc1cc(CC(=O)N2CCc3c4ncn3CC(=O)NCCN(C(=O)c3cc(-c5cccs5)nn3C)CC(=O)NCCCOc3cccc(c3)[C@H]42)on1 1800430282 DALMEVSMPRWLBL-PGUFJCEWSA-N 725.832 2.516 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccc1-n1cncn1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1857705367 DRYHEFAFQZBFGH-NDEPHWFRSA-N 601.664 2.921 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2onc3ncccc23)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533714 WVYLDJFEFJDMOB-HSZRJFAPSA-N 559.627 2.658 0 50 KFAA CCn1ccc(C(=O)N2CCCCN(S(=O)(=O)N(C)C)CCOc3cccc(c3)-c3nccn3CCC2)n1 2356136134 HVQZAKLGBSGMAA-UHFFFAOYSA-N 543.694 2.580 0 50 KFAA COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)C3CCN(C(C)=O)CC3)CC2=O)cc1 14744364 LBMWBYROVAVLPW-RUZDIDTESA-N 511.594 2.849 0 50 KFAA NC(=O)c1csc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)c1 952864840 QZXVUBHUQBPHSY-DQEYMECFSA-N 582.704 2.692 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)CCN2CCCC2=O)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704318030 MTIIMPVLTVCLSH-MHZLTWQESA-N 636.153 2.603 0 50 KFAA CCN1CC(=O)N[C@H]2CN(S(=O)(=O)c3cn[nH]c3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952862673 CTWXWUMNQOPUHS-SVBPBHIXSA-N 597.694 2.930 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)COc2cc(ccc2OC)C1 1857705098 SNSDUUQOJQFTID-UMSFTDKQSA-N 646.745 2.715 0 50 KFAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3cc4ccccc4n(C)c3=O)CC[C@H]1O2 2356162567 FKFBMCUDBLAREN-XTEPFMGCSA-N 610.667 2.956 0 50 KFAA COC(=O)CN1C(=S)N(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 15799350 FFNNHAFPFNFXHD-SFHVURJKSA-N 504.406 2.991 0 50 KFAA CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCN3CCOCC3)C2=S)cc1 19810198 GNRARTGRMAJGMM-QFIPXVFZSA-N 528.606 2.666 0 50 KFAA CN(C)CCCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@@H]2C1 1615706926 NRTYOWDCNCOESC-SXOMAYOGSA-N 536.673 2.828 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321476 QDDLYZWEKGHNTN-UPMTXXFGSA-N 633.790 2.721 0 50 KFAA NCCCC[C@@H]1NC(=O)Cc2cccc(c2)OCCNC(=O)CCCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1857740219 DUZNAKNYIYBBJT-IGYGKHONSA-N 845.898 2.933 0 50 KFAA CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1Cl 1875328487 UVCWFOPEHWLHID-UHFFFAOYSA-N 510.943 2.909 0 50 KFAA Cc1nn(CC(=O)N2CCCCNC(=O)[C@]3(CCCc4ccccc43)NC(=O)CN(CCC(C)C)C(=O)C2)c(=O)c2ccccc12 2356137770 YSPFITRYKFZMJA-PGUFJCEWSA-N 628.774 2.666 0 50 KFAA CCn1nc(C(F)(F)F)cc1C(=O)NC[C@@H](NC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(F)cc1 2325877080 IMQDZTCLWKAGJN-WBVHZDCISA-N 501.506 2.570 0 50 KFAA COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCOCC3)CN(Cc3ccc(OC)c(OC)c3)C2)cc1OC 14733793 IXLWXSNOMUGLJR-DNQXCXABSA-N 527.662 2.808 0 50 KFAA COc1ccc(CN2C[C@@H](COc3ccc(C)nc3)C[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1OC 14740829 NHRVFGLUBAXOFA-LOSJGSFVSA-N 526.678 2.763 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)c1ccc3c(c1)N(C(C)=O)CCO3)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940197688 JAXBOCMNPKBXLF-LJAQVGFWSA-N 716.817 2.621 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(c3ccnc(N)n3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952862876 RUISXCMOLJWJCO-OZXSUGGESA-N 558.639 2.687 0 50 KFAA COc1ccc2c(c1)cc(C(=O)N1CCOc3cc(ccc3OC)-c3nccn3CCNC(=O)[C@@H](C(C)C)NC(=O)C1)n2C 1704316928 BXODJGBSNCDDIX-GDLZYMKVSA-N 602.692 2.851 0 50 KFAA Cc1ccccc1OCC(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCCCC(=O)N2C1 1704321369 KUTHUPBAJXGKRQ-XCHMNZSRSA-N 677.843 2.750 0 50 KFAA COc1ccc2cc1OCCN(C(=O)Cc1c[nH]c3ccccc13)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322639 NJQAUQFZRYYZSL-GDLZYMKVSA-N 572.666 2.761 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)COc1ccccc1Cl)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713606 NAUUQUXMIAQRTP-NEEKEDPPSA-N 652.196 2.988 0 50 KFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)Cc1cc2c(cc1Cl)OCCO2 1857708823 PFTFMSHFEKZOMD-VQTJNVASSA-N 528.005 2.650 0 50 KFAA CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O 257361251 TZHGYWCJIXHMJK-CVADZXBPSA-N 839.029 2.505 0 50 KFAA COc1cc([C@@H]2C3=C(O)[C@@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)[C@@H](C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O 888088513 DGZDVTZNWZYDJB-IBURMAGPSA-N 667.071 2.711 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(C(=O)N4CCOCC4)ccn3)C[C@@H]1NC(=O)CN(C)C2 952862490 ALAUDQOJMAUULD-WNJJXGMVSA-N 587.677 2.691 0 50 KFAA Cc1cnn(CCC(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)c1 952863594 QSWGGIPGHHSRLW-AHWVRZQESA-N 531.613 2.680 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCn3ccc(C)n3)C[C@@H]1NC(=O)CN(CCCO)C2=O 952868388 MQDMAXPDJMFYRK-SVBPBHIXSA-N 605.692 2.523 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(=O)n(C)c2)CCNC(=O)c2csc1n2 1772700947 KEDSENUNXKOOHI-GOTSBHOMSA-N 645.742 2.633 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccc4nn[nH]c4c3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714567 XJIQBRCXSIHUDP-YGQNCHBYSA-N 766.900 2.702 0 50 KFAA COCCCC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1cccc(N)n1)[C@H]1CCN(C(=O)C2CCCC2)C1 2325839595 YTGKTKZEOUDMIR-RBBKRZOGSA-N 501.672 2.997 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCOc1c(OC)cccc1C(=O)N1CCC[C@@H](C1)NC2=O 1704317953 LOIUVAHCNKRGFV-IBGZPJMESA-N 521.574 2.691 0 50 KFAA CN(Cc1cccc(OCCN2CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)c1)C[C@H]1CCC(=O)N1 14986805 SSXYEFQLJORSLT-XMMPIXPASA-N 517.630 2.889 0 50 KFAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1csc(C(C)C)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952865263 OHNXOJBJHWCSDO-OKQRBPQJSA-N 730.929 2.542 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)c3cnccn3)CC(=O)N1CC2 1704318796 RTIDQVCSWAUBHR-MHZLTWQESA-N 518.570 2.519 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(Cc1cnc(N3CCCCC3)nc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713570 MGKFOBCOTYFOBN-PPTMTGTBSA-N 658.852 2.710 0 50 KFAA COc1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c(OC)c1OC 1857705813 WXEKHPWITUHVEX-LAJKQIPCSA-N 727.819 2.839 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1cccs1 16730149 VTBHBFURLDSIDS-YMFQVDJJSA-N 500.598 2.504 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(C)s3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952863558 BSJQCTFCNGLJPM-ZEQRLZLVSA-N 550.637 2.872 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)COCc2ccccc2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704317477 JYJIAHIXJRTYKO-XBZWSRNISA-N 786.956 2.649 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCC(C)C)CCCCNC2=O 1857688827 HTURJKKFVJUTMQ-YPCYDDIISA-N 711.857 2.907 0 50 KFAA CC(C)CC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1857704147 FZDFDTHLPONXOW-ALYLKEMTSA-N 617.751 2.545 0 50 KFAA CN1C(=O)CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875240586 DPPHAJVIIYRSRC-LJQANCHMSA-N 526.041 2.855 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)C1CCOCC1)CCN(C(=O)c1c(C)ncn1C)CCC(=O)NC[C@H]1CCCN3C1 1875242347 NWVGYSKWEAOSDG-XMMPIXPASA-N 691.830 2.936 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ncc(F)cc3F)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321887 CTTNBCKZELDFEG-SICZPIBKSA-N 830.934 2.937 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cn(C)c4ccccc34)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704328040 WRQYDKCMJRHELF-UJLGHMMASA-N 660.816 2.547 0 50 KFAA COC(C)(C)C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775980278 XESQYWXVBDULEC-CVDCTZTESA-N 596.710 2.655 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)c1cc(N)n[nH]1)CCCC(=O)N[C@H]2Cc1ccccc1 1800430284 DUKLPDLMQCMNHN-CPJSRVTESA-N 647.762 2.938 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCC(=O)Nc1nccs1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443420 QEUUIRLEFXOGHY-FVUXPIOYSA-N 546.653 2.573 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@@H](NC(=O)c1nonc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857707054 XTSVKSFMEDQHNL-ZRZALWPLSA-N 713.840 2.783 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)CNS(=O)(=O)c3cccs3)C[C@@H]21 1875242028 JSJXONMBZTZHDA-RBUKOAKNSA-N 557.650 2.590 0 50 KFAA COc1ccc(C(=O)N2CCCCN(S(=O)(=O)N3CCOCC3)CCCOc3cc(ccc3OC)-c3nccn3CC2)c(OC)n1 2356134715 YVWHXARBLHIRHC-UHFFFAOYSA-N 658.778 2.555 0 50 KFAA CCCCC/C=C/C/C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 4556716 GWNVDXQDILPJIG-BXXCDPIPSA-N 625.785 2.777 0 50 KFAA CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)cc1 16700176 LNYQSZWHGJKGOV-JGTYQCAFSA-N 522.579 2.741 0 50 KFAA CN1CCN(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@H](C(=O)Nc3cncc4ccccc34)C2)CC1 2325821224 WLYDPPFRGDOGKP-JOCHJYFZSA-N 500.024 2.918 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 253412567 RKEHTMWVTRKCGM-UNMCSNQZSA-N 559.685 2.505 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC[C@H]3CCS(=O)(=O)C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 952961454 VQFILFAIBVDSTE-LEBAXDHQSA-N 615.749 2.850 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cc[nH]c2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316432 PDXOFNFPGQDCAE-VCITYQBUSA-N 658.800 2.952 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2cscn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100534251 ZPOZWOFIBUEQBW-HSZRJFAPSA-N 510.664 2.938 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)COc3cccc(Cl)c3)C[C@@H]1NC2=O 2356161654 DHBTWEZRIZYXIH-OZXSUGGESA-N 566.010 2.824 0 50 KFAA Cn1ncc(I)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2742326 ZAGIUUNIDUGMDN-UHFFFAOYSA-N 518.724 2.521 0 50 KFAA CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O 253505060 HWKJSYYYURVNQU-NCIKYBQESA-N 822.986 2.789 0 50 KFAA biogenic COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426321 MBBVHDSJHMFRFX-LVCYWYKZSA-N 566.607 2.847 0 50 KFAA biogenic CCOC(=O)c1ccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@](O)(C(=O)Nc3ccc4c(c3)OCO4)[C@@H](OC)O[C@@H]2CO)cc1 263615317 BTIKBLNGGBMYNK-NQMGIRSQSA-N 711.633 2.589 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)CCn2nc(C)c(C)c2C)CCCNC(=O)COc2ccc(cc2)C1 1857707207 IHWCTYHINWOMSC-XIFFEERXSA-N 627.783 2.651 0 50 KFAA Cn1ncc2c(N3CCN(C(=O)[C@@H]4C[C@H](n5cc([C@@H]6CCCN6C(=O)OC(C)(C)C)nn5)CN4C(=O)OC(C)(C)C)CC3)ncnc21 2325879921 MHUHKXDGCSVZPT-OYDLWJJNSA-N 651.773 2.926 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N[C@]4(Cc5ccc(C(F)(F)F)cc5)CCOC4)ccc3C2=O)C(=O)N1 2325899165 RJPOTQWPQTYBCA-NLFFAJNJSA-N 530.503 2.990 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3)c1 2325901576 LXCMUEQXSSWESK-LOSJGSFVSA-N 586.670 2.819 0 50 KFAA CC(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)C1 1704326653 KQELKBPWWCCBHN-DEOSSOPVSA-N 539.036 2.610 0 50 KFAA CCOC(=O)[C@H](CC1=CN[C@@H]2C=CC=C[C@H]12)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1772665189 SXBXYLJEUWKBRZ-ATPOPXNDSA-N 511.578 2.930 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(CC=C(C)C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857704332 OFMRTCFLKHGGNP-LVXARBLLSA-N 540.709 2.961 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)/C=C/c4ccccc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533250 HKVSDRLQYPBPBV-DJWOFJTASA-N 542.680 2.791 0 50 KFAA NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 2325842930 NCJAELRZZDHLAS-BFUOFWGJSA-N 525.414 2.623 0 50 KFAA CCOP(=O)(OCC)[C@@]1(C)[C@H](COC(=O)NCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC=[N+]1[O-] 97972498 UAQUUBGIOJZAFO-QKSPSAKDSA-N 591.668 2.528 0 50 KFAA in-vitro COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2cc(OC)ccc2[nH]c1=O 225424869 IRTVZTYJZUQJRR-ZWCUEREDSA-N 573.602 2.672 0 50 KFAA biogenic COc1ccc([C@@H](CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c2c(O)oc(C)cc2=O)c(OC)c1OC 888089898 OLSRKKVEPIVIEE-GOSISDBHSA-N 540.525 2.655 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc3c(c2)ncn3C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772700710 DOVYLNCLBHHGQO-KZFQQWRHSA-N 715.856 2.923 0 50 KFAA Cc1nc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cs1 1857703326 ZMBIKCFXWFFQDM-OOYKWLJTSA-N 658.785 2.578 0 50 KFAA C[C@H](O)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)CC(=O)O[C@@H](C)Cc1cc(O)cc(O)c1 2332925150 VBVVLENGSKTSOM-NXOAAHMSSA-N 534.558 2.864 0 50 KFAA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)N[C@H](CC(=O)OC)C(=O)OC 22589121 AUNUJAFVNHVXOI-CXAGYDPISA-N 502.545 2.776 0 50 KFAA CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(Cc5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O 49867711 JQZJACVYMPKVDS-UHFFFAOYSA-N 543.049 2.650 0 50 KFAA in-vivo Cc1nc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)ccc1N1CC[C@@H](O)C1=O 169348902 ZDNJKGWFPVYMHU-LJQANCHMSA-N 531.400 2.783 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cccnc2OC)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772706883 YHHNGXQECUEBKK-XNSHOJTPSA-N 678.835 2.800 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccc(-n3cnnc3)c2)CCNC(=O)COc2cc(ccc2OC)C1 1775980379 ADEINPCBZICMRF-UMSFTDKQSA-N 646.745 2.715 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2ccc3nn[nH]c3c2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857705343 CWXXIGAEQOSNNK-WHCGLMPTSA-N 760.824 2.577 0 50 KFAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857706494 VVESBOFZCDKSDM-RBUKOAKNSA-N 510.541 2.985 0 50 KFAA COCC[C@]1(C(=O)NCCN2CCOCC2)CNC(=O)CCCN(C(=O)c2c(-c3ccccc3)noc2C)CCCNC(=O)COc2ccc(cc2)C1 1875240362 BIWKIUFHVDXXSY-LDLOPFEMSA-N 732.879 2.601 0 50 KFAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(Cc3coc(-c4ccccc4)n3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704316701 BBELHOVVMKWHML-SQJMNOBHSA-N 571.638 2.786 0 50 KFAA CCc1noc(C)c1C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)C1 1704319921 YYEGAAZAVHOXKH-PWUSVURUSA-N 775.933 2.605 0 50 KFAA CCCn1ncc(CN2CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C2)c1C 1704326584 HZAJPULGIBHAPN-OAQYLSRUSA-N 536.681 2.611 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cccnc1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772714503 UBAGIZIZXRRLII-QHCPKHFHSA-N 530.581 2.984 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)Cc2c(C)[nH]c3ccccc23)CCNC(=O)COc2cccc(c2)C1 1857700569 WUXMPOVKIDKQLM-MGBGTMOVSA-N 606.720 2.691 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cccc(Cn3cccn3)c2)C1 14740790 UGAMHYBAJSMZCN-MHZLTWQESA-N 531.657 2.712 0 50 KFAA CCc1c(O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O 253497417 VBEJBERDNOPXME-DYSNXAHPSA-N 630.599 2.571 0 50 KFAA Cc1nc(N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c2ccccc2n1 952856620 DGWDVVBEONLPSN-SANMLTNESA-N 538.656 2.606 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)CCc3cnccn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952857237 KCTICOIUFNAJSR-WUFINQPMSA-N 557.651 2.909 0 50 KFAA CCOCC(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)c2c(-c4ccccc4)ccnc2C)CC(=O)NCCCOc2cccc(c2)[C@H]31 1775979543 JVZCCTGFEKULFP-DIPNUNPCSA-N 693.805 2.921 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(C(=O)OC)cc2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980274 XDCKLXHBJAWECL-KMRXNPHXSA-N 634.734 2.622 0 50 KFAA CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O 150659489 NRUPRHFQGBCWJJ-GBEXAXCTSA-N 648.406 2.670 0 50 KFAA biogenic,in-vitro O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25C[C@@H]6[C@H](C[C@@]12[C@H]5[C@H]34)C6(Br)Br 254840923 KDSIPDSSIYSVPH-ALRVMRNTSA-N 503.194 2.914 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc(C3CCNCC3)ccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864716 PKDSHNJDHIIBJG-HKBQPEDESA-N 680.810 2.774 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccc3nc[nH]c3c2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704316943 DAQRBAVXJBTRSO-IZDARVJKSA-N 782.928 2.623 0 50 KFAA Cc1noc(C)c1C(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)c3nc(co3)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c3nc(co3)C(=O)N2C1 1857710834 RRFSRWIRVFYCBR-CFCGIFGPSA-N 700.753 2.716 0 50 KFAA NC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1)c1cccs1 1875256986 JCDXSEHVBCXZOH-CQSZACIVSA-N 535.873 2.797 0 50 KFAA Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1875351837 KYQBQHHMNOLLJW-UHFFFAOYSA-N 510.639 2.911 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccc5ccccc5n4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533292 JCEXKRIKFYUACS-IXPZTYLVSA-N 567.690 2.940 0 50 KFAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 2325875620 YALOUCMMFOSAQA-NJDAHSKKSA-N 500.644 2.598 0 50 KFAA CC12CN(S(=O)(=O)c3ccccc3)CC(c3ccccc3)(CN(S(=O)(=O)c3ccccc3)C1)C2=O 1051634 BIZHCIKBOZAHNI-UHFFFAOYSA-N 510.637 2.909 0 50 KFAA Cc1cc(C)n(CCNC(=O)C2CCN(c3cccc4c3C(=O)N(C[C@H]3COc5ccccc5O3)C4=O)CC2)n1 12205711 GFPRKJQTQFZYEW-QFIPXVFZSA-N 543.624 2.969 0 50 KFAA 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@@]3(C)CC[C@@H](O)C[C@H]3CC[C@]21O 253609826 QZTRRTOMKSKXLP-RLNFTAPRSA-N 515.713 2.512 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)c3cncc(=O)[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952862438 KEMSKXCCYPMAOO-SVBPBHIXSA-N 589.649 2.741 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccccn2)CCCC1=O 2356136180 JQRFSOGJUNNLGR-SSEXGKCCSA-N 533.673 2.657 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCn1ccccc1=O)CCCNC(=O)[C@H]1CN(C(=O)c3cc(F)ccc3F)C[C@H]21 1875241624 UXAKTFCTOVVYCX-RPBOFIJWSA-N 608.642 2.809 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(CC)c3)c(=O)n2[C@H]1c1ccc(Br)cc1 2800058 XPIZNVUQHSBJPH-DMVFFGLYSA-N 501.406 2.777 0 50 KFAA COC(=O)[C@@]1(Oc2cn(C(C)=O)c3ccc(Br)c(Cl)c23)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O)O1 150478688 FTFRPOUGQITUOH-GFGPJODISA-N 761.959 2.617 0 50 KFAA CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]21 244692013 JMXRYIGHKWRUFH-JLQCGNNKSA-N 586.553 2.524 0 50 KFAA CN1CCNC(=O)C[C@H]2CN(Cc3ccc(C4CCCCC4)s3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952865324 PASUOXSDYBJAEX-SQJMNOBHSA-N 563.728 2.862 0 50 KFAA O=C1N[C@H]2CN(C(=O)c3cc4c(nc3O)CCCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952865892 VACXHRUUEQDYAW-UPVQGACJSA-N 553.019 2.533 0 50 KFAA CCc1oc(C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1CN1CCCC1 1704321747 YASJBBMTXVQTCE-WAJIWRLRSA-N 790.988 2.673 0 50 KFAA CCc1c(C)cc(C(=O)N2CCCNC(=O)Cn3nc(Cc4ccc(OC)c(OC)c4)nc3[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CCC2)c(=O)n1C 1772704162 GKCRFRFUCXGRFW-JJLUAYLQSA-N 734.899 2.606 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702638 FKFOKJZXSKTNHY-TWNHOSHXSA-N 705.813 2.642 0 50 KFAA CC(C)CCN1C(=O)CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857740537 ITPWYFQEVJLBCV-JOCHJYFZSA-N 601.770 2.918 0 50 KFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857741081 BNDGICDVVLQNSF-MHZLTWQESA-N 694.822 2.960 0 50 KFAA CS(=O)(=O)c1ccc(Sc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c(C(F)(F)F)c1 2325900776 IVFVTTBXEWQZIG-HNNXBMFYSA-N 512.487 2.661 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccc(O)cc3)C2)nn1 12218944 MDKNYGQVLFQLLT-NQIIRXRSSA-N 503.481 2.921 0 50 KFAA CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1 59736235 PENPTPZMQZVCMG-UHFFFAOYSA-N 545.639 2.905 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 150653312 QEGVMYVOHMNRJM-FKAPRUDGSA-N 672.735 2.786 0 50 KFAA biogenic CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2cnn3cc(C)ccc23)CCCNC(=O)COc2ccc(cc2)C1 1775979281 KFMBSSIJKHYLPF-MGBGTMOVSA-N 621.735 2.709 0 50 KFAA Cn1nc(-c2cccs2)cc1C(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857739714 PJUDDLJCJMNTGS-MHZLTWQESA-N 667.796 2.947 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc3ncccc3c2)C1 14536685 XPUGMYLJWSZFRC-RUZDIDTESA-N 518.614 2.982 0 50 KFAA COC(=O)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](C)O 226863485 XGIYRSDOWKIVMX-YCSJYAFNSA-N 720.820 2.558 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)[C@H](O)C1CCCCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864678 OCCIBIKLALBAON-MFMCTBQISA-N 632.762 2.539 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cc2cccnc2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321134 DOEIVIULNRTFNE-CKRJFLOXSA-N 684.838 2.948 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCNC(=O)COc2cccc(c2)C1 1857702005 VWIPBNYJTGTGGY-HKBQPEDESA-N 596.656 2.593 0 50 KFAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCCNC(=O)c4ncccc4OCCNC(=O)CCC3)cs2)n1 1857714166 ULKOVHYFKZMVJF-UHFFFAOYSA-N 565.578 2.602 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@@H]2SC1 8927989 YNXTZYIYTKKIAZ-VGSWGCGISA-N 520.947 2.736 0 50 KFAA CCOC(=O)c1[nH]c(CC(O)Cc2[nH]c(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C 25781641 GRJQSBRXNOITPD-UHFFFAOYSA-N 506.552 2.813 0 50 KFAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)C3CCOCC3)C[C@@H]2N1 952857217 BALNBTLXUOBHDX-VMPREFPWSA-N 579.694 2.665 0 50 KFAA COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cncn3C)CC[C@@H]1OCc1cccc(c1)O2 952863061 RQFAOFYPCTTXAV-AHWVRZQESA-N 547.612 2.661 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cccc(Cn4cccn4)c3)C[C@@H]1NC2=O 1704324795 UTIQMQJCAUUPNO-WNJJXGMVSA-N 581.629 2.651 0 50 KFAA CN(Cc1cnn(C)c1)C(=O)c1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)Cc3cn(C)c4ccccc34)C[C@@H]1Oc1ccc(cc1)CNC(=O)CO2 1772714186 DWTGGDFIARRDLV-TWJUONSBSA-N 689.773 2.824 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)Cn2c(C)cc(C)nc2=O)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857705877 ZESDNFCBDSBYKI-SANMLTNESA-N 664.735 2.754 0 50 KFAA CCOC(=O)c1cc(S(=O)(=O)NC(=O)Cn2ccc(Br)cc2=O)c(Cl)cc1Cl 1875327555 ZKODTDHZVCMYOE-UHFFFAOYSA-N 512.165 2.599 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 146158798 MPYUTOYNCCRZAC-CDCCBSOTSA-N 556.527 2.742 0 50 KFAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O 150426257 XDLBSNLAIQNWON-ZRTXTKLHSA-N 697.612 2.893 0 50 KFAA O=C(c1cnccn1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952863245 HGHVFAQTFXGUPX-LBNVMWSVSA-N 507.554 2.923 0 50 KFAA CN(C)C(=O)CCC(=O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952865394 WZZSHCQDRPJPGG-LMSSTIIKSA-N 528.613 2.687 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)CCCNC(=O)COc2ccc(cc2)C1 1775980643 GDWUONLBIKYCFQ-DHUJRADRSA-N 650.773 2.879 0 50 KFAA COc1ccc2cc1OCCCN(Cc1cccnc1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533887 KDAGQEPSDBTGMX-HHHXNRCGSA-N 534.661 2.886 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N[C@]4(c5ccc(OC(F)F)cc5)CCCOC4)ccc3C2=O)C(=O)N1 2325901511 JDFOBUBIAXKPEB-FQRUVTKNSA-N 528.512 2.876 0 50 KFAA Cc1cc(C)cc(CCC(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)C2)c1 1704321879 COOXFBJMLBBWKB-GSCBETLZSA-N 706.844 2.611 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccncc1Cl)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713326 JNNCPWDSORGQIS-NAKRPHOHSA-N 623.158 2.618 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CN2CCc3ccccc3C2)CCNC(=O)COc2cc(ccc2OC)C1 1775979474 VVHPWAWGGVBZAM-BHVANESWSA-N 648.801 2.879 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@H](O)c3ccccc3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857739902 YAJRKBLPPVEKQE-BUGGEQADSA-N 711.776 2.531 0 50 KFAA Cn1nccc1C(=O)N1C[C@@H]2c3cccc(c3)OCCN(C(=O)/C=C/c3ccccc3)CCCNC(=O)[C@H]2C1 1875239877 NNTBZVSKVALPET-AKKWPVJWSA-N 527.625 2.717 0 50 KFAA Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)S(C)(=O)=O)ccc1Br 2886344 PCGHORPCDWSRPV-UHFFFAOYSA-N 530.466 2.947 0 50 KFAA COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426275 MBBVHDSJHMFRFX-LQWHRVPQSA-N 566.607 2.847 0 50 KFAA biogenic CC(=O)N[C@@H]1[C@H](Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245225652 AUZCUOOUVRHFOF-USYVTKNRSA-N 559.412 2.759 0 50 KFAA COc1ccc2c(C)c(CC(=O)N[C@@H](CSC)C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)c(=O)oc2c1OC 245328183 SXIKLRURXGOTQM-BXWFABGCSA-N 534.631 2.516 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)Cc1cn3ccsc3n1)CCNC2=O 1857725921 SZPKZPVHTPSNFI-HXUWFJFHSA-N 628.715 2.734 0 50 KFAA COCC[C@]1(C(=O)NCc2ccc3c(c2)CCCC3)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242585 VMKKJALGAWICNL-MGBGTMOVSA-N 578.754 2.832 0 50 KFAA O=C1NCCCN(Cc2cc(=O)c3ccccc3[nH]2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2100533727 XHLRVAMNANFBPR-ANFGNJKFSA-N 511.626 2.576 0 50 KFAA O=C(N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cncc(-n2cc(CN3CCCC3=O)nn2)c1 2325853466 QHDSHRUQNORXJN-QFIPXVFZSA-N 541.534 2.897 0 50 KFAA Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCN(C(=O)[C@H](O)c4ccc(Cl)cc4)CC3)c2C1=O 15071806 LOZNDNRDIHBWOK-HSZRJFAPSA-N 507.978 2.560 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)c3ccc4c(c3)CCO4)C[C@H]2C(=O)N1 1704318881 SQRGPNGBZIOGDC-HYKSJHEUSA-N 675.827 2.611 0 50 KFAA CC(C)Cc1ccc(C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)C2)cc1 1704321620 CGIAIRQKAQZNHZ-BVKJBRQFSA-N 706.844 2.874 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)c2cncn2C)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857703414 LHMKWNZIPKFKFB-QHCPKHFHSA-N 608.671 2.927 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cnc3cccnn23)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857708270 YSXOFJKRIPKVPF-NDEPHWFRSA-N 607.675 2.766 0 50 KFAA COc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCN(C(=O)CCc4c(C)noc4C)CCCNC(=O)[C@H]3C2)ccn1 1875241239 RFBCZLKTBHQSDA-SXOMAYOGSA-N 575.666 2.911 0 50 KFAA COc1ccc([C@H](CC(=O)NCc2cc(=O)n(-c3ccccc3)[nH]2)c2c(O)nc3ccccn3c2=O)cc1 2049513514 TYMDBYMFLQGGBF-QFIPXVFZSA-N 511.538 2.726 0 50 KFAA COc1cc(C(=O)NCc2cccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC 8846770 DMBWRYJLADYFQW-UHFFFAOYSA-N 525.558 2.993 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2cc(OC)c3c(c2)OCO3)CC(=O)N(Cc2ccc(OC)cc2)C1 14746299 HASRPFFTCBIZFM-QHCPKHFHSA-N 527.618 2.531 0 50 KFAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 59596232 GHYNKKCWPDMXGS-HSZRJFAPSA-N 540.642 2.535 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCCCN1CCCc3ccccc31)C2 1857697766 LSDLAPGVSBCQNZ-PGUFJCEWSA-N 619.807 2.978 0 50 KFAA COc1ccc(C(=O)N2CCCNC(=O)c3nn(C)c4c3C[C@@H](CC4)N(CCC(C)C)C(=O)CCC2)c(OC)n1 1857740402 HUJOLFNMDHUPOB-HXUWFJFHSA-N 554.692 2.620 0 50 KFAA Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N[C@@H](C)C(=O)Nc2ccc(-n3cncn3)cc2)c1C 1875351516 ZCJACEIPUUCLCF-INIZCTEOSA-N 551.405 2.914 0 50 KFAA NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)cc1 2325776632 DVZOQTOYVDUPJQ-UHFFFAOYSA-N 523.493 2.894 0 50 KFAA Cn1cnc2cc(C(=O)N3CCCNC(=O)[C@H]4C[C@@H]5CCCN5[C@@]45C(=O)N(CCC3)c3ccccc35)ccc21 2356134182 CDGUEQLTMXMEJQ-YXACEECVSA-N 526.641 2.652 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)CCc3nc4ccccc4s3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321976 JNFOSYFSJCLXTJ-OFVILXPXSA-N 593.750 2.941 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801060 LODGFUDXZVUDFR-DPURIWRLSA-N 589.575 2.687 0 50 KFAA NS(=O)(=O)c1cccc(NC(=O)NCC2(NC(=O)CCC3CCOCC3)C3CC4CC(C3)CC2C4)c1 1875288250 UCHOUFWMISZOEQ-UHFFFAOYSA-N 518.680 2.973 0 50 KFAA CCOc1cc([C@@H](CC(=O)OC)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)ccc1O 225424784 VPBGRIXXHPNSHG-SLYNCCJLSA-N 536.581 2.926 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCCN(S(=O)(=O)N4CCCC4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263585086 DXXGXPCETNGPKV-LVXARBLLSA-N 671.817 2.538 0 50 KFAA biogenic CC(C)=CC/C=C(\C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 263617358 NJUXRKMKOFXMRX-FKXHNPTISA-N 767.010 2.954 0 50 KFAA COc1cc2ccc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3ccccn3)CCCNC(=O)CC2)N(C(=O)CCS(=O)(=O)c2ccccc2)C1 1704322434 IAXQFLGSKLTHLH-IZEXYCQBSA-N 719.861 2.794 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 14743381 PMLGYNLDWOGBBM-RUZDIDTESA-N 511.619 2.580 0 50 KFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253522745 PORLQGCIBQPFNX-HEIBBSBHSA-N 606.665 2.523 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccn(C)c3C)C[C@@H]1OCc1cccc(c1)O2 952856367 GMUOZYAIYVBYDG-VMPREFPWSA-N 605.692 2.994 0 50 KFAA COc1cc2ccc1CNC(=O)C1(CCN(C(=O)[C@@H]3CCC(=O)N3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772817734 QRFZUCMZQGYPCB-MHZLTWQESA-N 658.708 2.953 0 50 KFAA CSCCC(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)c2cc(-c4ccccc4)on2)CC(=O)NCCCOc2cccc(c2)[C@H]31 1775981799 IPHPHOOFENEXMP-UUWRZZSWSA-N 685.807 2.923 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(C(=O)COc4ccc(-n5cnnn5)cc4)C3)[C@@H]2CCCC(=O)N1 1857740493 PTHNJBBPIICMBN-OQKKBSBFSA-N 565.719 2.848 0 50 KFAA COc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Br)c2)cc1OC 1071203 IPVKAKNLJYZLBN-UHFFFAOYSA-N 528.407 2.916 0 50 KFAA biogenic CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1/C=C/c1ccccc1 8818894 WEEJNSCHMFIBGN-JKZHCRLBSA-N 513.575 2.727 0 50 KFAA CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1C[C@@H](C)n1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC 195815071 VUJSBQXRBBVPCS-LLVKDONJSA-N 698.791 2.843 0 50 KFAA CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)O[C@@H]2[C@@H]1C 253634691 IUPCWCLVECYZRV-PRWUFQPSSA-N 581.747 2.670 0 50 KFAA COc1ccc(CN2C[C@@H]3NC(=O)CCc4ccc(c(OC)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1OCCN1CCOCC1 1772817117 HJQGPPDGHMWTIH-QGRQJHSQSA-N 674.795 2.804 0 50 KFAA Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCCNC(=O)c4nn(C)c5c4C[C@@H](CC5)N(C)C(=O)CCC3)c2)on1 1857724558 HRCXQHQVTPOBQZ-OAQYLSRUSA-N 568.700 2.612 0 50 KFAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)Cc1c(C)[nH]c3ccc(F)cc13)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741643 OOFNWUFERMWGFF-QXNWPYRLSA-N 744.821 2.565 0 50 KFAA COCC[C@@]1(C(=O)NCc2ccc(C)c3ncccc23)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242420 RGWGJVOBOOGJDL-XIFFEERXSA-N 589.737 2.810 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 59844781 ILDHSDPWUNDQRH-LYRGBEMXSA-N 554.621 2.841 0 50 KFAA O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CCC(Oc2ccc(Cl)cn2)CC1 253430939 YORQLYQCQCEFBJ-GOSISDBHSA-N 500.404 2.848 0 50 KFAA CCC(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N2C1 1704322573 LYFSVFPGZJYXOJ-LOFXTUCXSA-N 523.678 2.652 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)Cc3cccnc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713482 NEMHEUUTPMYLBR-NSOVKSMOSA-N 556.619 2.510 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2[nH]nc3ncccc23)CCNC(=O)COc2cc(ccc2OC)C1 1857688841 KIXWNPDSCHTENA-YTTGMZPUSA-N 606.724 2.766 0 50 KFAA Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 5539106 DSXJEODHPCMQEG-UHFFFAOYSA-N 634.846 2.588 0 50 KFAA COc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1 247959766 NUTRBPOVFCDQAB-XGJIUNBJSA-N 536.588 2.624 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccnc3ccccc23)CCN(C)C(=O)[C@@H](C)NC1=O 1704318700 RKRCVGPHSPRUEV-CDBUXONGSA-N 726.904 2.829 0 50 KFAA CCCn1ncc(CN2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1C 1704321128 DFCRYPJLQIYXAV-IGKIAQTJSA-N 533.629 2.681 0 50 KFAA COC(=O)c1ccc(CN2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc1 2100534236 ZIRSNNHIEUZQFN-JCAOREMYSA-N 516.642 2.912 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3cnccn3)CCCNC2=O)N(C(=O)CCSc2ccc3c(c2)OCCO3)C1 952863279 URCXFTMPKXFZGQ-LSYYVWMOSA-N 718.833 2.959 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cccc(c2)CNC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CNC1=O 952869954 QTVPMQYRWGTHTQ-KBMIEXCESA-N 610.115 2.610 0 50 KFAA COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 263586851 YSKRTKWHDJABDN-TUSYCDLHSA-N 586.645 2.805 0 50 KFAA biogenic CC[C@@H]1NC(=O)CCCN(C(=O)c2cnc(N3CCOCC3)nc2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857705479 JEPLNPATTSMCIR-MHZLTWQESA-N 691.761 2.820 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(C(=O)c1ccc(=O)n(C)c1)CCNC(=O)CC2 1857726040 UQNADLYDWKGWQS-RUZDIDTESA-N 588.661 2.604 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccccn2)CC1=O 2356134155 AYXZPFANCAISTI-SSEXGKCCSA-N 533.673 2.657 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160969 AGHXAWPRSOICNF-IGKIAQTJSA-N 602.644 2.570 0 50 KFAA CN(C[C@H]1COCCO1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 14972333 WARIENQKJPVMLV-GCJKJVERSA-N 505.571 2.608 0 50 KFAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@@H]21 110276046 HAVVIXOQRJHQMM-LJGDNWOOSA-N 507.544 2.913 0 50 KFAA COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1coc2ccc(OC)cc2c1=O 253398683 CGKBWSRNYLRRNW-LQWHRVPQSA-N 574.586 2.936 0 50 KFAA biogenic CCC(=O)OCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253487729 OZJXTWMDBPQRGI-PVSIOXBJSA-N 862.064 2.680 0 50 KFAA biogenic Cc1c(C)[n+]([O-])c([C@H](c2ccccc2OCC(=O)O)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263588873 ZJGFZCXHKGNNLU-JOCHJYFZSA-N 508.527 2.834 0 50 KFAA COc1ccccc1CN1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(OC)c(c2)OCc2cn(nn2)CCC1 952857500 IPKGFKCYAIIZGO-NPPOLANGSA-N 693.846 2.687 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 6225751 RECUFJCOIKJSRE-YLVTVWEBSA-N 538.578 2.553 0 50 KFAA COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C[C@]5(C)[C@@H](CC[C@]5(O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257348989 KQDOGCHGRZLHOM-BDEWSICWSA-N 766.834 2.512 0 50 KFAA COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O 263586846 YOWHUAIBMGBLGO-OAQYLSRUSA-N 563.607 2.806 0 50 KFAA biogenic COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN(C)Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2 952857860 WMTZMCCILIEJQV-WNJJXGMVSA-N 559.667 2.672 0 50 KFAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cccc(-c4ccc(O)cc4)c3)C[C@@H]1NC2=O 952862747 DHTUAGFLHLAVNA-LSYYVWMOSA-N 555.591 2.892 0 50 KFAA COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)cc1 952863220 UCIQMPGXKRBYPW-HFZDXXHNSA-N 600.680 2.529 0 50 KFAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCSc2nnnn2-c2ccccc2)cc1 2868849 CFCFUWVHDGGBHE-DEOSSOPVSA-N 534.667 2.995 0 50 KFAA Cc1ccc(S(=O)(=O)/N=c2/[nH]c(C)c(NC(=O)OCCNS(=O)(=O)c3ccc(C)cc3)s2)cc1 6269808 ICMUIKIOLRLWOF-UHFFFAOYSA-N 524.646 2.818 0 50 KFAA NS(=O)(=O)c1cccc(NC(=O)CC23CC4CC(C2)CC(CC(=O)Nc2cccc(S(N)(=O)=O)c2)(C4)C3)c1 38142895 WBISELYOSLQSCI-UHFFFAOYSA-N 560.698 2.925 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(Cc2cnn(C)c2)CCNC(=O)COc2ccc(cc2OC)C1 1857706656 YJKZTALVNBYLLV-WJOKGBTCSA-N 585.746 2.864 0 50 KFAA Cc1[nH]c(-c2ccc(F)cc2)nc1C(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857724563 HUBHWFZNHPJPCO-NDEPHWFRSA-N 640.720 2.841 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100598857 ISMMOHIBASRDLH-YXDQGSNCSA-N 552.605 2.749 0 50 KFAA COc1ccc(CCn2c3c(c(=O)[nH]c2=S)[C@@](NS(=O)(=O)c2ccc(NC(C)=O)cc2)(C(F)(F)F)C(=O)N3)cc1OC 150351291 HOQSWFFJSBRSGZ-DEOSSOPVSA-N 627.623 2.812 0 50 KFAA Cc1cc(C)n(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(OCC5CC5)cc(c4)C(=O)NCCC(=O)N[C@@H]3C2)c(=O)n1 1616107575 CAANJUPEFMXTML-IHLOFXLRSA-N 629.714 2.877 0 50 KFAA C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 19892076 CHTJGNNQGAAYAL-LQGLAIQGSA-N 506.555 2.839 0 50 KFAA OCCNC[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 59829335 WVCGLIADJWJXJT-ZDUSSCGKSA-N 536.151 2.947 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)c2ccn(C(C)C)n2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704322677 OSKHXZCHORWOKM-AHGCPZLJSA-N 796.033 2.868 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCOc1ccc(cc1Cl)C(=O)N1CCO[C@@H](CNC2=O)C1 1704337684 CPCWDYMDMRTYEX-FQEVSTJZSA-N 541.992 2.573 0 50 KFAA Cn1c(=O)[nH]c(=O)c2c1nc(SCc1cccc(Br)c1)n2C[C@@H](O)COc1ccccc1 632681 DDMMYGWTUDYRNI-MRXNPFEDSA-N 517.405 2.918 0 50 KFAA CCOc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)cc1OCC 718627 KXOYJLNURFVDTH-UHFFFAOYSA-N 569.659 2.870 0 50 KFAA O=C(CCCn1c(SCC(=O)NCCc2ccccc2)nc2ccccc2c1=O)NC[C@H]1CCCO1 9473021 MZMNOGBQMPPYSL-OAQYLSRUSA-N 508.644 2.923 0 50 KFAA CCOC(=O)C[C@@H](NC(C)=O)c1cc(I)c(O)c(I)c1 25560807 SGNJQGVFLLLDGC-LLVKDONJSA-N 503.074 2.732 0 50 KFAA Oc1c(I)c(O)c(I)c(O)c1I 100768954 YUQIVUXABFZTSY-UHFFFAOYSA-N 503.799 2.617 0 50 KFAA COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN=c1cc(C)n(-c2ccccc2F)[nH]1 2325815435 MNUOYODNLPKEJE-UHFFFAOYSA-N 501.584 2.976 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3Cc4ccccc4C3)C[C@@H]1NC2=O 2356161546 ZLBATXREBPVAKW-LSYYVWMOSA-N 541.604 2.507 0 50 KFAA CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4[C@H](OC(C)=O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253504616 DLOMXAWRMLVFKA-CZSHVEDGSA-N 720.809 2.825 0 50 KFAA Cc1cc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)n(C)n1 1704318055 NGTATTRVQOOMPH-TZFWCWEWSA-N 657.816 2.658 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3cn4cccnc4n3)C[C@H]2C(=O)N1 1704330257 APDYPPLIPPQLCG-BSHOXDSGSA-N 612.735 2.598 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)CCc1ccnn1C)CCN(C(=O)c1cnccn1)CCC(=O)NC[C@H]1CCCN3C1 1857724704 NWZYHTMYGFSEPQ-XMMPIXPASA-N 699.813 2.624 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc(-c3cnn(C)c3C)on1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533356 LOEMHPZXNVZJJJ-GDLZYMKVSA-N 632.722 2.828 0 50 KFAA CS(=O)(=O)c1ccc([C@@]2(NC(=O)c3cccc(Cn4cc(-c5ccc(C(=O)O)nc5)nn4)c3)CCOC2)cc1 2325852738 QQEZQIOMLPAJHV-HHHXNRCGSA-N 547.593 2.536 0 50 KFAA Cc1noc(C)c1CCC(=O)N1C[C@@H]2c3cccc(c3)OCCN(C(=O)c3ncoc3C)CCCNC(=O)[C@H]2C1 2356161433 VYTBHPBJLHLOMW-RPBOFIJWSA-N 549.628 2.804 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2nc3ccccc3[nH]2)C1 14533638 VILVSCJJVBRZFP-HSZRJFAPSA-N 519.646 2.663 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O 409414961 ZWAKNXSPSFIIKF-HVCNVCAESA-N 514.667 2.678 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2nnc(O)c3ccccc23)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702101 UJCFDBQCVBZSPR-YBBGPBPVSA-N 729.839 2.686 0 50 KFAA Cc1[nH]c2ccccc2c1CC(=O)N1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(C)C(=O)CCC1 1857725999 DSWBPHAOLUVIIQ-LJQANCHMSA-N 504.635 2.511 0 50 KFAA COc1ccc(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c(Cl)c1OC 1704326489 FXTOOEYTUGSCRN-RKTPSUCASA-N 770.353 2.952 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cnc(C)nc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713209 HJIKGNXEEWRAFT-PUQGUQACSA-N 741.890 2.529 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc(N3CCOCC3)nc1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775980809 BIWMZADDWNVKKY-LJAQVGFWSA-N 620.707 2.572 0 50 KFAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)c1nc2ccc(Cl)cn2c1F 1857708744 LQXSPARECPPWLX-JKSUJKDBSA-N 517.920 2.568 0 50 KFAA O=C(NC[C@H]1CC2(CCNCC2)C(=O)O1)Nc1cc(I)cc(I)c1 2325840325 XUGJCVRVGITJOK-CYBMUJFWSA-N 555.154 2.703 0 50 KFAA O=C1NCCCN(C(=O)CCCc2nc(-c3cccnc3)no2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 2356134120 ZDVCLPLBPLSMSG-OQIQTSLJSA-N 583.693 2.919 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 622870 XTHWBTWOSZFXSQ-YMSBRDKKSA-N 522.579 2.741 0 50 KFAA CCn1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)n1 13959683 VQYRLSVJQTWMCF-NLZIUFDSSA-N 515.595 2.805 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3c(C)nc(C)nc3O)CC[C@H]1OCc1cccc(c1)O2 952865847 WUKBPMYRELEAFA-WUFINQPMSA-N 603.676 2.921 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3ccnc(C(C)C)n3)C[C@@H]1NC2=O 1704321631 CWUFNMJPVDNPBL-OZXSUGGESA-N 531.613 2.679 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccncc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713674 OLILZCYTYDWMMY-SFDJXPEFSA-N 726.875 2.825 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCOc3ccccc3C2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713917 WLOOFSBEGLIFAA-ZEOQKDQMSA-N 746.910 2.618 0 50 KFAA CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O 1775961316 PWXPWSCNXVCOCA-YFIGHCCUSA-N 664.833 2.528 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3n[nH]c4c3CCCC4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322878 LOGMCUCQHQKCMF-YFZVMGGLSA-N 838.023 2.866 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccccc2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775984086 HIISQOQDQWDHAK-IDISGSTGSA-N 576.698 2.835 0 50 KFAA Cc1cc(C)n(CCN2C(=O)c3cccc(N4CCN(Cc5ccc6c(c5)OCCO6)CC4)c3C2=O)n1 12242991 AQZVRPOJRYUXGU-UHFFFAOYSA-N 501.587 2.890 0 50 KFAA O=C(NCc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59586810 NSHXBAZYFWQTDU-QHCPKHFHSA-N 534.059 2.720 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)Cc3ccccc3)C[C@H]2C(=O)N1 1704319549 WKGNAPXDBHOGPH-XCHMNZSRSA-N 647.817 2.605 0 50 KFAA CCOCC(=O)N1CC(=O)N[C@@H](CC(C)C)c2nc(cs2)C(=O)N[C@@H](Cc2ccccc2)c2nc(C)nn2CC(=O)N[C@@H](C(C)C)C1 1704323442 OZFSDUUYQXLERM-KKUQBAQOSA-N 666.849 2.980 0 50 KFAA COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257349190 MITDEMNHLYHCKD-IWIAJEKDSA-N 708.798 2.971 0 50 KFAA COc1ccccc1-c1cc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)n[nH]1 952856149 NVFWXXSDRULDFS-OZXSUGGESA-N 578.029 2.953 0 50 KFAA Cc1cc(C)n(Cc2cccc(C(=O)N3CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc4ccccc4)C3)c2)n1 1704324762 RZEHWYDPZPRHLI-JXTRDAFUSA-N 770.976 2.755 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)CCCc1nc3ccccc3s1)CCCNC2=O 1857703006 DTSGZHZSOBKQMG-UHFFFAOYSA-N 510.616 2.785 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)Cc1ccc3c(c1)OCO3)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857705341 CUUMJMLFPXIQBO-DGOBPVDHSA-N 656.736 2.874 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(F)cc3)C2)nn1 15069224 LGVOMFWDIAKKSC-UPVQGACJSA-N 510.545 2.507 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3c(C)cnn3C)C[C@@H]1OCc1cccc(c1)O2 952856543 MEUFJIOZNWFFJI-YTMVLYRLSA-N 592.697 2.748 0 50 KFAA CCCn1cc(CN2C[C@@H]3NC(=O)CN(CCOC)C(=O)c4cncc(c4)Oc4cccc(c4)CO[C@H]3C2)c(C)n1 952863903 JKPAAXIKVABPTA-NSOVKSMOSA-N 562.671 2.777 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1CCN(C(=O)c3ccncc3)CC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952865838 UINOVZSQYSBKSA-YTTGMZPUSA-N 708.820 2.545 0 50 KFAA COCC(C)(C)C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713425 LJLJNCMUADPQDR-UIOOFZCWSA-N 551.640 2.545 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2[nH]nc3ncccc23)CCNC(=O)COc2cc(ccc2OC)C1 1857688840 KIXWNPDSCHTENA-JGCGQSQUSA-N 606.724 2.766 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(Cl)cn2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857697083 UPWMFAFDIZFLRJ-DGYBNRFQSA-N 673.174 2.861 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCCN1CCCc3ccccc31)C2 1857697765 LSDLAPGVSBCQNZ-DHUJRADRSA-N 619.807 2.978 0 50 KFAA COCC[C@@]1(C(=O)NCc2ccc3c(c2)CCCC3)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242586 VMKKJALGAWICNL-XIFFEERXSA-N 578.754 2.832 0 50 KFAA Cc1nn(-c2ccc(Br)cc2)c(NC(=O)C(=O)N[C@H](C)C(=O)Nc2ccc(-n3cncn3)cc2)c1C 1875351517 ZCJACEIPUUCLCF-MRXNPFEDSA-N 551.405 2.914 0 50 KFAA CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@@H]2[C@@H](c3ccccc3O)c3sc(=O)[nH]c3S[C@@H]12 245228709 CXHOWVXUEZYAFS-IPBNVQOESA-N 500.598 2.725 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccncc2)CCNC(=O)COc2cc(ccc2OC)C1 1775982189 LPYKAPXZWFQOFZ-HKBQPEDESA-N 580.682 2.530 0 50 KFAA Cc1cc(S(=O)(=O)NC(=O)c2cccc3ccncc23)oc1C(=O)N1CCC(OC[C@H]2CCOC2)CC1 1875342356 NBDANGHAQQSDDT-SFHVURJKSA-N 527.599 2.913 0 50 KFAA NC(=O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 245327787 RCYUEQQSQCSCIV-FDFFUELDSA-N 506.868 2.549 0 50 KFAA C[C@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@H]3[C@H]1[C@@H]1CC[C@@H]5O[C@@H](N6C(=O)CCC6=O)[C@@]4(C)[C@H]3[C@@H]51)O[C@@H]2N1C(=O)CCC1=O 253596821 WHKWKQIREHTRPI-RIWNIKGNSA-N 520.626 2.551 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772704386 QXANTNXKMANBMS-UJNZFSSTSA-N 754.929 2.817 0 50 KFAA Cc1c(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cnn1-c1ccccn1 1857699059 GJZVAMGHMDZVTR-MYHCNICMSA-N 718.819 2.702 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)Cc1c(C)nc(C)nc1O)CCNC(=O)CC2 1857727552 TULJKUXPDBFPSE-SANMLTNESA-N 617.703 2.947 0 50 KFAA COCn1[nH]c(Br)nc1=NCCNC(=O)Cc1c(-c2ccccc2)oc2cc3c(cc12)OCO3 2049513361 GHALIIVPGOLWFQ-UHFFFAOYSA-N 528.363 2.979 0 50 KFAA O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)CN(Cc2ccncc2)C1 14530356 IMBCDRGOYUHVKK-VQTJNVASSA-N 505.541 2.759 0 50 KFAA C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 97957278 AWFZJSUJFSUBQU-MOJLLMCOSA-N 664.833 2.528 0 50 KFAA biogenic,in-vitro COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCSc2nnnn2-c2ccccc2)cc1OC 3612440 CMWMSOLDVLCIBK-HSZRJFAPSA-N 580.692 2.704 0 50 KFAA CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCOCCOc2ccccc2OCCOCC1 4577522 KMHDWUBIIWOOQM-ZSHICZCASA-N 668.788 2.768 0 50 KFAA O=C1C[C@H](N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C(=O)N1c1ccc(Cl)cc1 95496407 UFEOGUHWCDEDAQ-BGYRXZFFSA-N 501.370 2.575 0 50 KFAA CCOC(=O)C1=C[C@H]2C=C[C@@H]([C@@H]1C(=O)OCC)[C@H]1C(C(=O)OCC)=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)[C@]12OCC 150656854 RXNVFICWEXYGQG-YVRBMEKZSA-N 646.686 2.722 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3cnc(N)s3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952865240 VIFZNYFJGBEPQM-XZOQPEGZSA-N 549.653 2.838 0 50 KFAA CC(=O)N1CCC(C(=O)N2CCNC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)C2)CC1 1772714136 BMDWHWRWDVFDBY-DQEYMECFSA-N 663.801 2.879 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cccc5c4OCCO5)C3)CN2C1=O 2100533013 URGRZSHBENYQOZ-HWFPEDPKSA-N 588.705 2.553 0 50 KFAA CCOCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3ccc(cc3OC)CCC(=O)N(CCCOC)CC(=O)N[C@H]2C1 952862839 FJEKXTITDUXWBG-RRPNLBNLSA-N 597.709 2.938 0 50 KFAA COc1cc2c(cc1CN1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C1)CCC2 1704323838 HCXKCPZEZGQPAZ-HZHOLSPCSA-N 745.947 2.778 0 50 KFAA COc1cc(C(=O)N2CCCOc3cc(ccc3OC)-c3nccn3CCNC(=O)[C@H](Cc3ccccc3)NC(=O)C2)ccn1 2100532848 FACGBQKDYYPVPD-SANMLTNESA-N 612.687 2.731 0 50 KFAA CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1 2332918166 HQEBGENSMXBRMP-KSKCRWPKSA-N 671.880 2.929 0 50 KFAA Cc1cc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)ccc1Br 2868787 HVTYGPDBLDHCMK-UHFFFAOYSA-N 510.410 2.635 0 50 KFAA COc1cc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCC3)cc(OC)c1OC 8738693 QBLDTYLEFOUNQI-AWEZNQCLSA-N 508.618 2.822 0 50 KFAA CCCCC/C=C\C/C=C/C=C\C=C/[C@@H](SC[C@@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)O 64858816 INRWBYPYKPHQHS-AMFYGFQTSA-N 623.769 2.831 0 50 KFAA in-vitro CCOC(=O)CNc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)n1 169617463 OXYJAFBKBDZTEF-DAUHHZGYSA-N 642.621 2.819 0 50 KFAA CC(C)=CC/C=C(/C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C 255245937 NJUXRKMKOFXMRX-OOFHPJNRSA-N 767.010 2.954 0 50 KFAA biogenic,in-vitro CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2cnc(C3CCCCC3)nc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952863003 OXKBZHUBPKXBTN-NZELRHCUSA-N 707.917 2.761 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)c3nnc4n3CCCC4)C[C@H]1NC(=O)CN(C)C2=O 1616093260 MYRVZPZFKOUCSD-RPWUZVMVSA-N 558.639 2.717 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc(Cl)cc2F)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772707201 TXFYRRCQQGEYGA-LZCXECNNSA-N 683.185 2.613 0 50 KFAA COCCC[C@@]1(C(=O)NCc2ccncc2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705861 YVLRLJXGCSRPBV-YTTGMZPUSA-N 584.677 2.642 0 50 KFAA CCN1CCN(C(=O)c2cnn3ccn(C)c23)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857726343 MOQPFQDVVONSJW-JOCHJYFZSA-N 632.766 2.947 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1[nH]c3c(c1C)C(=O)CCC3)CCCNC2=O 2356138220 IMVIVVYLCDTHBB-NDEPHWFRSA-N 619.723 2.919 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ncccc2F)CC1=O 2356138871 RMGNUVQHGQDOGD-PMERELPUSA-N 551.663 2.796 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2nccs2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714393 OOCLTKOYOPYTSL-ZQLNOWDWSA-N 654.838 2.853 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)c3cccc4c3OCCO4)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1800430629 UGUSRNAUOJPQLC-LPIXWXTCSA-N 819.978 2.750 0 50 KFAA O=C1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)CCCNC(=O)c2ncccc2OCCN1 1857695241 AQWKXKOJRGHFJW-UHFFFAOYSA-N 507.616 2.685 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NC[C@@H](O)c3cccc(O)c3)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513385 MMCYGJUFMXGIKY-HXUWFJFHSA-N 502.564 2.868 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)C1Cc3ccccc3C1)CC(=O)N[C@H]1CN(C(=O)c3ccc(N(C)C)nc3)C[C@H]21 2100533183 DSTMMINBKFRFLY-IZLXSDGUSA-N 597.716 2.907 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 2259554 NPJSSQDUWHGURE-FEYWKWKCSA-N 517.607 2.934 0 50 KFAA CCc1ncc(S(=O)(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)[nH]1 952865705 WUPOLNPSQAKANI-DQEYMECFSA-N 551.669 2.817 0 50 KFAA Cc1nccn1CC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704332039 OJIIXTICVXTTNM-SDDUWZMOSA-N 657.816 2.507 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(Cc2cc[nH]n2)CCCCNC(=O)[C@@H](C)NC1=O 1704337484 STXJIHFRFLBJMY-NRSKXHDUSA-N 615.779 2.699 0 50 KFAA COc1ccc(-c2ccc(C(=O)N3CCCNC(=O)CN(C)C(=O)c4nn(C)c5c4C[C@@H](CC5)N(CCC(C)C)C(=O)C3)c(O)n2)cc1 1857740751 XZHZSMRFIQBYJD-XMMPIXPASA-N 659.788 2.663 0 50 KFAA CC(C)(C)OC(=O)N1[C@H]2ON(C(=O)OCc3ccccc3)[C@@H]([C@@H]3OC(C)(C)O[C@@H]32)[C@@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N21 169620678 YHPVQRNEIJZYRI-WADPJWBESA-N 608.648 2.889 0 50 KFAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@](OC(C)=O)([C@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6C(=O)c1ccc(OC)cc1 169721161 YRECILNLFWZVRM-CQXYSFRYSA-N 627.775 2.989 0 50 KFAA biogenic,in-vitro COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2ccc(OC)cc2n(C)c1=O 225426876 XTAPIMZOTHVEDU-QMHWCDLVSA-N 587.629 2.682 0 50 KFAA biogenic COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]1NC(=O)CC2 1772713185 GVWBSDJUMQBCQF-SVEHJYQDSA-N 571.630 2.660 0 50 KFAA O=C(c1cccc(NS(=O)(=O)c2ccc3nn[nH]c3c2)c1)N1CCOC[C@H]1c1ncn(Cc2ccccc2)n1 1875351355 SUMLGFQLEBOHAE-DEOSSOPVSA-N 544.597 2.612 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cscn1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100534239 ZKPDUPDUHLIDSQ-XMMPIXPASA-N 554.673 2.587 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)[C@@H]1CCC(=O)N1)CCCCN(C(=O)c1ccc(N3CCOCC3)nc1)CCn1ccnc1-2 2356136100 GPVXVBBTEGUNEB-MHZLTWQESA-N 645.761 2.603 0 50 KFAA COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426972 LXXSWQWEGWTTQK-LMNJBCLMSA-N 564.591 2.601 0 50 KFAA biogenic CCc1[nH]nc(C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C2)c1C 1704321110 CJHCQKVELNKARD-SLCUOWJHSA-N 826.012 2.858 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccccc2-c2nc[nH]n2)CCCNC(=O)COc2ccc(cc2)C1 1775981299 JKCKANGOUZSRRF-MGBGTMOVSA-N 634.734 2.538 0 50 KFAA CC(C)CC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)c3nc(co3)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c3nc(co3)C(=O)N2C1 1857709210 LBULVOXYMNHHAY-HGQNJIEQSA-N 661.760 2.844 0 50 KFAA O=C1CN(C(=O)CCc2cccnc2)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)c1cscn1)C[C@@H]32 2100533565 UZEJOJYJWDXJIW-PZGXJGMVSA-N 561.664 2.517 0 50 KFAA CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O 100838258 DJNNEWDXMRYRBS-DJTCXORXSA-N 580.615 2.666 0 50 KFAA CC(=O)O[C@H](C(=O)Nc1ccccc1C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccccc1C 169616034 ODNNSSVHYRRBGB-POTDNYQPSA-N 556.568 2.607 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)CCC3CCCC3)CC2)C(=O)N[C@H]1Cc1ccccc1 952868146 ZPEUQPDCCIXGLV-VWLOTQADSA-N 520.678 2.647 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(C(=O)c4nc5ncccn5n4)C3)[C@@H]2CCCC(=O)N1 1857740865 QGMAWFSWQIBNKU-TWGBQZSLSA-N 509.655 2.545 0 50 KFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccc(F)cc2)cc1 101232484 OWLYSQUAMNPVDM-FQEVSTJZSA-N 557.507 2.681 0 50 KFAA COC(=O)C[C@@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089882 NEICBXGZTOIXNC-FQEVSTJZSA-N 521.574 2.844 0 50 KFAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)Nc1cc(I)cc(I)c1 2325840326 XUGJCVRVGITJOK-ZDUSSCGKSA-N 555.154 2.703 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N1C[C@@H](NC(=O)c3ccc(=O)n(C)c3)C[C@H]1C(=O)NCc1nc-2oc1C 2356133748 AZJSOIRPPCEVGY-UPVQGACJSA-N 627.654 2.817 0 50 KFAA COC(=O)C[C@@H](c1ccc(C(=O)O)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225427299 JOZLZXDTNSDMEU-PBEJRMEISA-N 520.538 2.520 0 50 KFAA biogenic COC(=O)[C@H](C)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C 253414724 YJLOPUNUMGFDGH-ZJEXDUHMSA-N 569.655 2.977 0 50 KFAA biogenic O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(CC(=O)NC3CCCCC3)C[C@@H]2Oc2ccc(cc2)CN1 1772817265 AINZCEALYBEWFC-VMPREFPWSA-N 576.694 2.795 0 50 KFAA CCOC(=O)CN1CCCOc2cc(ccc2OC)-c2nc(c(C)o2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)C1 1775977349 FWKOTJAVFNOGMN-HSZRJFAPSA-N 564.639 2.650 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cnc(C)nc2-c2ccccc2)CCNC(=O)COc2cccc(c2)C1 1857702382 LENXUVYVEKOJRR-UUWRZZSWSA-N 631.730 2.738 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc(-n3ccnc3)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857710558 CZLVSFCICORXKI-PPTMTGTBSA-N 653.788 2.756 0 50 KFAA Cc1ocnc1C(=O)N1CCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]2C(=O)NCC1 1875241610 CKUHXGPAJSFTMC-RPBOFIJWSA-N 544.608 2.815 0 50 KFAA O=c1cc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O 253412864 SHQYQTDTNNGVMJ-KRUXHUPTSA-N 528.653 2.957 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253413508 UYOZMSNMDWTBAD-LVWPNOBMSA-N 587.695 2.986 0 50 KFAA biogenic Cc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)nn1C 1616115767 TWJCJOKVMHNRNC-SXOMAYOGSA-N 545.640 2.842 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3ccccn3)C[C@H]2C(=O)N1 1704323705 SYNVHRDXWYYHRB-WTBZWYEWSA-N 572.710 2.951 0 50 KFAA Cc1nn(C)cc1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817115 HHXOOXVNYICFEH-OFVILXPXSA-N 618.720 2.586 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCc1ccc3c(c1)OCO3)CCCCNC2=O 1857699942 FOQLGQVZCDRQHO-GMAUKECHSA-N 789.883 2.832 0 50 KFAA Cc1noc(C)c1C[C@H](C)Nc1ccc(S(=O)(=O)N2CCOC[C@H](n3cncn3)C2)c2ccncc12 2325823154 HHKYPMUEFMYXET-QFBILLFUSA-N 511.608 2.736 0 50 KFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](c1cn(C)c(=O)n(C)c1=O)N(C(=O)c1ccc2c(c1)CC2)c1ccc(N2CCCN(C)C2=O)cc1 2325850709 FUYRCOXYVMKJJQ-AJQTZOPKSA-N 692.773 2.733 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 59844784 ILDHSDPWUNDQRH-JGTYQCAFSA-N 554.621 2.841 0 50 KFAA CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@]1(OC(C)=O)C[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2C(=O)c1ccc(OC)cc1 253387960 YRECILNLFWZVRM-FYHLOGEPSA-N 627.775 2.989 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952865524 PXOVPUQSPGTTBP-VMPREFPWSA-N 601.704 2.750 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(C)nc4onc(C)c34)C[C@@H]1NC(=O)CC2 1772703002 YPVDSYJXKRHYDT-IGKIAQTJSA-N 599.644 2.878 0 50 KFAA COc1ccc(CNC(=O)CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1OC 1772713655 QBUDMKUCVFGAKD-NYDCQLBNSA-N 644.725 2.679 0 50 KFAA C[C@@H](NC(=O)C1(NC(N)=O)CC1)[C@@H](NC(=O)c1ccsc1I)c1ccccc1 2325876998 HANKLXJBLZLOJY-BXUZGUMPSA-N 512.373 2.529 0 50 KFAA CC[C@H](C)NC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 4790799 WSMWDFKMSPTCSE-SFHVURJKSA-N 500.596 2.566 0 50 KFAA CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)c(=O)[nH]2)CC1 14998142 ZPKHMXSDPLPEKH-OAQYLSRUSA-N 504.587 2.666 0 50 KFAA COC(=O)C[C@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2ccc(OC)cc2[nH]c1=O 225416370 PUIYAVKVCDQQIJ-LZNRXBQRSA-N 573.602 2.672 0 50 KFAA biogenic CCCc1ccc(C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)C2)cc1 1704318110 OBMCXYADNHNTCN-LMWOMLOISA-N 692.817 2.628 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)Cc1c(C)nc(C)nc1O)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704323512 QPSPXMSNHQLZOB-YFNKSVMNSA-N 537.661 2.693 0 50 KFAA COc1ccc2cc1Oc1cc(F)cc(c1)CNC(=O)C1(CCN(C(=O)CCn3cnnn3)CC1)Oc1ccc(cc1)OCCNC2=O 1772817719 QNDWDKOEVMDKHL-UHFFFAOYSA-N 659.675 2.882 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)Cc3n[nH]c4ccccc34)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857740142 AMQXXIVBIMQRIL-DVDHJYFRSA-N 735.802 2.916 0 50 KFAA Cc1cc(C)c2c(CC(=O)N3CCCCNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)c4cccc(c4)OCCNC(=O)C3)coc2c1C 1857740420 IKVJTQBPRFANFJ-NDEPHWFRSA-N 628.730 2.899 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)CCC(C)C)CCCNC2=O 2356136971 NRBIHPSVRBLYGA-SANMLTNESA-N 542.681 2.886 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC 15659554 QAFXIQCQEGZAPL-XOYGFPHKSA-N 524.595 2.833 0 50 KFAA CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@@H]21 253487074 DIKARTHLYAVYHG-NMHGCQTJSA-N 614.607 2.701 0 50 KFAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CSc2ccc(Cl)cc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952863428 JCUODGQAPCDQIN-JZOXGFSOSA-N 718.317 2.695 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(Cc1cnn(C)c1)CCNC(=O)CC2 1875241616 CNOOOVUCBCBXIY-RUZDIDTESA-N 547.656 2.999 0 50 KFAA CCS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)N(CCO)Cc3cc(Br)ccc3F)cc21 1875352393 FFLVWHFRPZMRRE-UHFFFAOYSA-N 542.427 2.650 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc[nH]c1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100534250 ZPDVUYKMJULVHO-VWLOTQADSA-N 570.650 2.655 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(Cc3ccc(F)c(F)c3)C2)nn1 14983391 LBNZTNGPFPJOOU-KOSHJBKYSA-N 508.529 2.999 0 50 KFAA CCn1c(=NN=c2sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21 263621361 ZTOJFFHGPLIVKC-UHFFFAOYSA-N 514.632 2.669 0 50 KFAA in-vitro CC(=O)NCCCC(=O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952868370 MCMOQJSDQMPCSO-LMSSTIIKSA-N 528.613 2.735 0 50 KFAA Cc1cc(C)n(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@@H]3C2)n1 1615708393 HAMNHSXXGKBNRD-FTJBHMTQSA-N 545.640 2.989 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3nnc4n3CCCC4)C[C@@H]1NC(=O)CN(C)C2=O 952857200 MYRVZPZFKOUCSD-BJKOFHAPSA-N 558.639 2.717 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCn2cccn2)CCCCNC(=O)[C@@H](C)NC1=O 1704327881 ULKPPQVIVPVCPA-SATCGAIXSA-N 657.816 2.589 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccccc2-n2cncn2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772704603 OALCEMYDKQPKQZ-SGQICDRISA-N 728.855 2.617 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccc3nc(C)sc3c1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714124 ZSDPLYNENUOKAR-PZVVFFFBSA-N 715.881 2.603 0 50 KFAA COC[C@@H](NCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O)c1ccccc1 2325899998 HKHVTQPVSBAZAY-FGZHOGPDSA-N 520.586 2.564 0 50 KFAA COc1ccc(C(=O)N2CCCCOc3cccc(c3)[C@H]3CN(C(=O)c4cccc(C)n4)C[C@@H]3NC(=O)C2)cn1 2356162351 IKXCVZFKJRNAOK-RSXGOPAZSA-N 543.624 2.833 0 50 KFAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)C[C@@H](C)c2ccccc2)C[C@@H](c2ccccc2)NC1=O 1704317989 MGKKLYWFJIBUAW-NVFFWVPTSA-N 692.817 2.555 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC1)C(=O)NC2 1772713668 OHULGEKKLAHPIO-MHZLTWQESA-N 715.804 2.872 0 50 KFAA CCOCC(=O)N1CCC(C(=O)N2CCCOc3cc(ccc3OC)-c3nc(c(C)o3)CNC(=O)[C@@H](Cc3ccccc3)NC(=O)C2)CC1 1775984512 WRGMJNAXRQTOMB-MUUNZHRXSA-N 675.783 2.889 0 50 KFAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(C(=O)c3cccnc3C)C[C@@H]1NC2=O 2356163098 XNEMBTJIFYKUOI-DQEYMECFSA-N 514.582 2.799 0 50 KFAA CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)c(OC)c3)n2C)c1 10039176 DNYJKATWYSXLRA-UHFFFAOYSA-N 513.576 2.670 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)OC 101794177 NEICPYXCIYSWOH-UYCXAPQFSA-N 639.812 2.865 0 50 KFAA in-vitro COCC1(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CCC1 952862366 OSJHNRPDRACRCD-ZCYQVOJMSA-N 521.614 2.902 0 50 KFAA O=C(Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1)NCc1ccccc1 1875328155 BDSIYHLBERTVAU-UHFFFAOYSA-N 558.664 2.813 0 50 KFAA CCn1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)cc1=O 1772817481 RHMABVGBVJKDNH-VJSXAPQFSA-N 770.928 2.612 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4nc5ncccc5o4)C3)CN2C1=O 2100534058 RNSHVGNSSHDICQ-DLCDSXJVSA-N 558.683 2.678 0 50 KFAA CCN1CCC[C@H](n2cc(C3(F)CN(C(=O)[C@@H](NC(=O)c4ccc(OC)cc4)c4ccccc4)C3)nn2)C1=O 2325869434 NJBXZSJRVJRMEX-UPVQGACJSA-N 534.592 2.648 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4ccc(Cn5cnnn5)cc4)C3)CN1C(=O)CC2 2356138071 DRNMKBLSTPRNAI-OYFGVDPJSA-N 629.762 2.893 0 50 KFAA COc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@H]3C2=O)cc1 247959764 NUTRBPOVFCDQAB-NUULZMKSSA-N 536.588 2.624 0 50 KFAA COc1cc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCC3)cc(OC)c1OC 8738692 QBLDTYLEFOUNQI-CQSZACIVSA-N 508.618 2.822 0 50 KFAA O=C(NCCCN1CCOCC1)Nc1ccc(Cc2ccc(NC(=O)NCCCN3CCOCC3)cc2)cc1 90430367 GTEBFXZMIYVNME-UHFFFAOYSA-N 538.693 2.965 0 50 KFAA C[C@H]1CN(c2c(NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)cnc3c2CC[C@H]3O)C[C@@H](N)[C@@H]1O 144311871 PTORCEYGCGXHDH-OVMXCRKPSA-N 513.520 2.937 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)[C@@H]3CNC(=O)C3)CC1)C(=O)NC2 1772713730 RFTWHHWFACNERX-DEOSSOPVSA-N 658.708 2.811 0 50 KFAA COc1ccc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc1F 2356135963 ACXZQQQWNOULIX-HUOGWEQVSA-N 520.605 2.913 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)CC(C)C)CCCC1=O 2356136501 XJFJIYODKIODBW-LJAQVGFWSA-N 512.695 2.994 0 50 KFAA CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 247964878 HHJUWIANJFBDHT-FTJZLSAJSA-N 753.941 2.732 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1OC 263584959 CLACISQCFYXVJN-ZNNUDVHBSA-N 517.667 2.971 0 50 KFAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 409414419 QKSVANPFVPFJCF-ZRBLBEILSA-N 530.666 2.644 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccnc3OC)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321499 QYCNJDAIAVIWBZ-SLCUOWJHSA-N 824.980 2.667 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)c1ccc(-n3cnnn3)cc1)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704326535 GFYUZWIWPNESDP-PZUNEJSGSA-N 545.644 2.628 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(S(=O)(=O)c3cc(F)ccc3C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704328037 WOJKPDPGTNJUAU-DOUMQJFESA-N 689.851 2.539 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCNC2=O 1857726463 SGHUDXXRAJWFRL-OAQYLSRUSA-N 635.685 2.881 0 50 KFAA COc1ccc2cc1OCCCN(Cc1ccc(OCC(=O)N3CCOCC3)cc1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940197076 QHDANRJEUBQWEW-XIFFEERXSA-N 710.832 2.925 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CCS(=O)(=O)C1)CCCCN(c1cc(C)nc(N3CCOCC3)n1)CCCn1ccnc1-2 2100533875 JOZQACUBVXOJBL-HHHXNRCGSA-N 667.833 2.826 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 1187539 UMUBBBRHZUJADS-VVOOWDFBSA-N 510.568 2.530 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 263586162 QTOXLLCMRAZCSD-OPHFCASCSA-N 615.749 2.993 0 50 KFAA biogenic COc1ccc2cc1OCCCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704322469 IGSQZABQXRPMLF-DSNGMDLFSA-N 559.671 2.842 0 50 KFAA CC[C@H]1CN(C(=O)c2c[nH]nc2C2CCCCC2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704330469 DDBDPTLSCMECRD-VUFXOVIRSA-N 635.810 2.571 0 50 KFAA CC(C)CCN1C(=O)CN(C(=O)c2cc(-c3ccccc3)on2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857741195 HWKVQMVOSAXCKP-HSZRJFAPSA-N 603.724 2.541 0 50 KFAA CC(=O)N1CC[C@H](n2cc([C@]3(O)CCCN(C(=O)c4ccc(NC(N)=O)cc4)CC3)nn2)c2ccccc21 2325853229 IZWVBTJPOASBIH-HOFKKMOUSA-N 517.590 2.629 0 50 KFAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2325878587 VHFPGHJAHAKJDX-DSBGAVGNSA-N 556.700 2.879 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccccc1OC 2261128 SYAXXAMPJGGDMZ-VFJWVMJUSA-N 503.580 2.544 0 50 KFAA CONC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@]2(O)[C@@H]1O 84689886 KLSIFOJPWJBRFH-GWNOIRNCSA-N 507.539 2.640 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 101129065 KWMZCGYMWGACSZ-ITIZVALFSA-N 582.631 2.758 0 50 KFAA COc1ccccc1-n1cc(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)cn1 1772713165 BLVFFHZSABIUKA-YDYNHKSESA-N 683.814 2.764 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857525479 MSFMMJSYVUWAEJ-MGCKMXKFSA-N 580.970 2.787 0 50 KFAA COc1ccc2cc1OCC(=O)NCCN(C(=O)Cc1cnc3c(C)cccn13)CCCC(=O)NC[C@@](CC1CC1)(C(=O)NCc1n[nH]c3c1CCC3)C2 1875251644 AZCGWZJCRQLKLC-FAIXQHPJSA-N 738.890 2.985 0 50 KFAA COc1c(F)cccc1C(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N1C2 2100534232 YWYCLVWYBDWBED-MXNGIANISA-N 564.658 2.540 0 50 KFAA Cc1noc(C)c1S(=O)(=O)N1CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)C1 2356138288 LCWJAMOVPTXUFT-FQEVSTJZSA-N 607.693 2.631 0 50 KFAA CCc1nc(C)c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)o1 952864417 VTDOEJCKTMUYNN-SANMLTNESA-N 629.718 2.770 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C3CCN(C(=O)c4cccs4)CC3)C[C@@H]1NC2=O 1704318118 OCTRHRKPBDVRCM-IGKIAQTJSA-N 590.702 2.932 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](C(C)C)CN(C(=O)c1cn[nH]c1)CC(=O)N[C@@H](CC(C)C)c1nc(cs1)C(=O)N[C@H]2Cc1ccccc1 1704322023 CGEOIMMBRAPTGX-KKUQBAQOSA-N 674.832 2.980 0 50 KFAA COCc1nc([C@@H](NC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)c2ccc(OC)cc2)n[nH]1 1776111731 NKCWJYCPJKEINH-NRFANRHFSA-N 514.604 2.988 0 50 KFAA O=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2)N1CCOCC1 12428509 QDJCHRWVMFRGDY-UHFFFAOYSA-N 513.056 2.841 0 50 KFAA CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O 206770550 TZKUYUHMJHEXOQ-QTZUHMCASA-N 963.875 2.976 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)Cn3c(=O)oc4ccccc43)C[C@H]2C(=O)N1 1704322533 LQYJNWHAEKXAPJ-STPLFBHISA-N 642.757 2.850 0 50 KFAA COc1ccc2c(c1)c(C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C1)c(C)n2C 1704324440 QMGUNEPHPBZIHP-XOQSDZSLSA-N 786.956 2.730 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)c2ccoc2)CCCNC1=O 1704330483 DTMDVTDGRYHNRE-DEOSSOPVSA-N 554.673 2.662 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3nn[nH]c3c1)CCCNC(=O)[C@H]1CN(C(=O)c3sc(C)nc3C)C[C@H]21 1875240642 FQZSGTZNRIMUEC-YADHBBJMSA-N 603.705 2.937 0 50 KFAA Cn1ccnc1[C@](O)(CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F 2325873939 ZQPACDBGRWZSPO-AUUYWEPGSA-N 522.311 2.888 0 50 KFAA CC(C)(C)OC(=O)N1[C@H]2ON(C(=O)OCc3ccccc3)[C@@H]([C@@H]3OC(C)(C)O[C@@H]32)[C@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21 252428323 YHPVQRNEIJZYRI-QNTYDACNSA-N 608.648 2.889 0 50 KFAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3[C@H]4[C@H]2[C@@]25C[C@@H]6[C@H](C[C@@]12[C@H]5[C@H]34)C6(Br)Br 257346977 KDSIPDSSIYSVPH-VXTAREMZSA-N 503.194 2.914 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 952857441 UDYKYNDIOYYLLG-XFBWMNOSSA-N 639.753 2.868 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3cc(-c4ccccc4)no3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704318114 OCFMULDOLLNAFE-LVXARBLLSA-N 575.666 2.667 0 50 KFAA O=C1COc2cc(C(=O)NC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cc(-c4ccccc4)no3)C[C@@H]2Oc2ccc(cc2)CN1 1772713900 WTWJGITZNRQLIX-JDXGNMNLSA-N 621.650 2.944 0 50 KFAA CCc1ocnc1C(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1 952864984 SYQPVHSNRBYPGR-URXFXBBRSA-N 518.570 2.949 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccccc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772700822 HTTMKYFHEJGCKA-UHSQPCAPSA-N 587.725 2.570 0 50 KFAA CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c1)CC2 2325875708 ZZLDHTGRSJARNF-CJAUYULYSA-N 501.587 2.956 0 50 KFAA O=C(CN1CSCC1=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21 2325877237 MXSMLRHPQDTFHS-UBCIXVHVSA-N 526.456 2.766 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 1187616 FAWHPJJGXZYBIM-VPEZWSJASA-N 517.357 2.883 0 50 KFAA CO[C@H]1[C@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@H]4[C@@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@@H](OC(C)=O)C2)[C@@H]1O 257347029 NTCQLIABTKPIND-RFOCOBCASA-N 592.726 2.652 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)C3(c4ccccc4F)CC3)CC2)C(=O)N[C@H]1Cc1ccccc1 952863501 PPPFVEIKDFYSKK-SANMLTNESA-N 558.658 2.548 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCn1cnc3ccccc3c1=O)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533261 IEXDQEXSXMMXEF-WJOKGBTCSA-N 643.745 2.617 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4cc(-c5cccnc5)no4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533844 HYPQCWZLZLYQDZ-IXPZTYLVSA-N 570.694 2.802 0 50 KFAA CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 252441448 WIGHCPZBXOGLKE-MDEMCKMASA-N 780.993 2.882 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2Cc3ccccc3C2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704319621 YOCDTXLEUOLZQK-DZMJNENTSA-N 782.968 2.848 0 50 KFAA Cc1[nH]nc(CCC(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1C 1772703359 WWDGVIFHUFPLMC-VMPREFPWSA-N 587.677 2.845 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@H]1CCC(=O)NC1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857726220 JTRWABFGHGATOM-DEOSSOPVSA-N 545.640 2.627 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1c(C)nn(C)c1Cl)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863321 VFGKJPYPCNKEON-MHZLTWQESA-N 635.169 2.967 0 50 KFAA COCC1(C(=O)N2CC[C@]34C(=O)N(CC(=O)N(C)CCCOc5cccc(c5)[C@H]23)c2ccccc24)CC1 952864463 HOQXITICKTWWKU-ABYGYWHVSA-N 503.599 2.912 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(-c4ccsc4)[nH]n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321117 CRDVNZHGHODJRO-YTXYTRDUSA-N 679.844 2.507 0 50 KFAA CCN1CCN(C(=O)c2cccc(-n3cnnc3)n2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857726047 UTOSEMXUGJXKRR-HSZRJFAPSA-N 657.776 2.937 0 50 KFAA O=C(COc1ccccc1CN=c1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)n[nH]1)NC[C@H]1CCCO1 1875360437 ACYRHJDYCMBUNO-JOCHJYFZSA-N 596.482 2.982 0 50 KFAA COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)O)cc2ccccc12 4545853 QFJWKXYGBSQMDX-DFIYOIEZSA-N 576.650 2.779 0 50 KFAA in-vitro CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(=O)OCC)c1C 8431345 JSKLUNOYYNPANK-UHFFFAOYSA-N 510.590 2.683 0 50 KFAA CCOC(=O)N1CCN(C(=O)c2cc(I)ccc2NC(=O)c2cccnc2)CC1 10037870 BKKMDXONAJDADU-UHFFFAOYSA-N 508.316 2.853 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(C/C=C/c3ccccc3)C2)nn1 14882912 RWMZEGQHRFNNFQ-PFDUPZECSA-N 500.603 2.742 0 50 KFAA COC(=O)c1cc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1Cl 59758364 ABRUPDFOTMUCGC-HSZRJFAPSA-N 578.068 2.829 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cnc(N)s3)C[C@@H]1OCc1cccc(c1)O2 952856027 CJJOGHGWWQWNCD-UIOOFZCWSA-N 596.710 2.745 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CSc3nncn3C)C[C@@H]1NC(=O)CC2 952862131 FZIRAUHLVXSNFF-FCHUYYIVSA-N 537.642 2.957 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1scc3c1OCCO3)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704323623 XIQVLMCGYSJCNT-KWHBQZNLSA-N 749.887 2.532 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2ccc3c(c2)OCO3)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702582 DBYYPSIWRHIWDN-FBPNTFGJSA-N 719.840 2.694 0 50 KFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O 409414345 KQEPLDPLAWGQQF-ILWGZMRPSA-N 546.665 2.657 0 50 KFAA biogenic CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CCNC(=O)COc2cc(ccc2OC)C1 1857702890 SRJHJUSKKJUKJC-UMSFTDKQSA-N 687.812 2.845 0 50 KFAA CCN1CCN(C(C)=O)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857727280 NUBXUBMDXORNFL-HXUWFJFHSA-N 527.666 2.667 0 50 KFAA CCn1cc(C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 9726423 OSDLCFMYFFMGJP-UHFFFAOYSA-N 523.659 2.799 0 50 KFAA C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)cc2)C[C@@H](C)O1 109123962 ARDVVOZSPFIVHN-GASCZTMLSA-N 566.639 2.934 0 50 KFAA Cc1c(Cl)c(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)nn1C 952863063 RRISCMNKKHUQGS-UHFFFAOYSA-N 526.041 2.580 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(S(=O)(=O)c1cc(C)sc1C)CCCNC(=O)[C@@H](C)NC2=O 1704319419 WATCSHFOSXWLTA-LJQANCHMSA-N 574.729 2.563 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2ccc(Cl)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1800411971 RNWXWYWIKLAQGH-QHWMMSMNSA-N 651.212 2.833 0 50 KFAA O=C1NCCN(C(=O)c2ccncc2F)CCCOc2cccc(c2)[C@H]2CN(C(=O)COc3ccccc3)C[C@H]12 1875240009 DJIJQMSKKSVRRE-FTJBHMTQSA-N 546.599 2.883 0 50 KFAA O=C1NCCCN(C(=O)c2cc3ncccn3n2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]12 1875242751 ZVCBUTPVTRIAOV-FTJBHMTQSA-N 580.645 2.561 0 50 KFAA CCn1nc(C)cc1C(=O)N1CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc(OC)nc3)C[C@@H]2NC(=O)C1 2100533267 IHQBAKCAUCIJMO-RPBOFIJWSA-N 560.655 2.654 0 50 KFAA COC(=O)c1ccccc1-n1cc(C[C@H]2COCCN2C(=O)C23CC4(O)C[C@@](C)(C2)C[C@@](C)(C4)C3)nn1 2325853097 CZWHEEOLVLWRQX-BVULDLBWSA-N 508.619 2.935 0 50 KFAA CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1 2332918168 HQEBGENSMXBRMP-XTSUAJLASA-N 671.880 2.929 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cnc3c(c1)CCCC3)CCCNC(=O)CC2 952865284 OQLIUQLAQVKFOZ-QHCPKHFHSA-N 607.752 2.686 0 50 KFAA CC[C@H]1CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704327683 FPWHHSNEDAEVLJ-GZVIIXHTSA-N 658.800 2.693 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCCc1nc(-c3cccnc3)no1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713338 HTGXUKKLYBGHLV-YDYNHKSESA-N 698.829 2.724 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)c1c(-c3ccccc3)ccnc1C)CCCNC2=O 1857689072 GXJWJWBLPYYATE-UHFFFAOYSA-N 502.571 2.837 0 50 KFAA O=C(c1cccc(NS(=O)(=O)c2ccc3nn[nH]c3c2)c1)N1CCOC[C@@H]1c1ncn(Cc2ccccc2)n1 1875351356 SUMLGFQLEBOHAE-XMMPIXPASA-N 544.597 2.612 0 50 KFAA COC(=O)C1=C(C(=O)OC)[C@@H](C(=O)OC)CN2C(=C1C(=O)OC)C(c1ccccc1)=Cc1ccccc12 19799842 KFHAYFMDVAJFHB-IBGZPJMESA-N 503.507 2.920 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(C(=O)CSc2ccccc2)CC(=O)N(Cc2ccc(OC)cc2)C1 14538458 UDPRAGSSUFVIFX-QHCPKHFHSA-N 513.660 2.912 0 50 KFAA COCCO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1ccc(=O)[nH]c1=O 165267994 YVYKKLNOXPCFGC-PMFUCWTESA-N 604.656 2.852 0 50 KFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 230493930 YQTIPJSYUMZZNU-XRBIJUOGSA-N 992.089 2.580 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952861919 DCPJVPAKUHFIRQ-WNJJXGMVSA-N 606.676 2.888 0 50 KFAA CC(C)C[C@H]1NC(=O)CCCN(CC(C)C)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713059 BCAFWOXWXCQTIB-JTHBVZDNSA-N 525.698 2.521 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)CC3CC3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713064 BFSODTSZKLBLRA-GWNOBINISA-N 703.881 2.917 0 50 KFAA COc1ccc2cc1OCCCN(Cc1ccccn1)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857701220 HVOSQRVJYRHCBM-KCEHZKJRSA-N 585.705 2.971 0 50 KFAA C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCc4ccccc43)c3ccccc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 247956829 MFHRRANWHRMBCO-YWCAZYDISA-N 520.589 2.611 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)CCc2ccncc2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704318050 NTVLWPWXGCRQSW-OGDSVACZSA-N 793.029 2.805 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)[C@@H]3CCC(=O)N3)CC1)C(=O)NC2 1772705236 QMSUXNAJPVKJDK-SANMLTNESA-N 658.708 2.953 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1sc(C)nc1C)CCCNC(=O)[C@H]1CN(C(=O)c3ccc4ncnn4c3)C[C@H]21 1875240235 NGBRXPARQGKENW-PKTZIBPZSA-N 603.705 2.708 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)[C@H]2CC[C@@H](O)CC2)CCCCNC(=O)[C@@H](C)NC1=O 1704305503 KMAFFHHIFSCYGN-GFFQZPOUSA-N 661.844 2.853 0 50 KFAA COCC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875242754 ZYGWFAFIARZDQT-XMMPIXPASA-N 687.798 2.850 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCc1cccnc1)CCCCN(C(=O)c1nc(=O)n(C)[nH]1)CCn1ccnc1-2 2356137044 PHVNJJLNQOZOHS-UHFFFAOYSA-N 602.696 2.542 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952861784 AXLMWQLGHFZZQW-ZEQRLZLVSA-N 524.618 2.625 0 50 KFAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CSc2cn(C)c3ccccc23)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952865073 OOVYYTMVXUXQHO-DPGKKZRPSA-N 736.936 2.533 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cncc(F)c3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772704768 SUVMNSBYLTZXTA-PUQGUQACSA-N 744.865 2.965 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 622872 XTHWBTWOSZFXSQ-IGSWSUAKSA-N 522.579 2.741 0 50 KFAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)ccc2-3)C[C@@H](C)O1 8754448 ONYWOCHJPPNYRB-QGFMHUBQSA-N 520.673 2.854 0 50 KFAA O=C(O)CN1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 150340157 FLSXICNYHDJIAW-UHFFFAOYSA-N 708.753 2.786 0 50 KFAA in-vitro COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccccc3OC(F)(F)C(F)F)C[C@@H]1NC2=O 952857836 QENXZBYOEWAWOS-AVRDEDQJSA-N 579.507 2.756 0 50 KFAA Cc1nn[nH]c1C(=O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952864131 IMJLWVPLQARHLP-RPLLCQBOSA-N 510.558 2.559 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cccnc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772703621 YNYKFRLADBYCCQ-XNSHOJTPSA-N 648.809 2.792 0 50 KFAA Cc1noc(C)c1CN1C[C@@H]2NC(=O)c3cc(cc(C(=O)N4C[C@H](C)O[C@H](C)C4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772706233 YQAIRUBRWOJDAZ-CIGLBZRHSA-N 617.703 2.611 0 50 KFAA COc1cc2c(cc1CN1CCCC(=O)N(CCc3ccccc3)CC(=O)N[C@H]3CCc4c(c(nn4C)C(=O)NCC1)C3)CCC2 1875240998 NOKZTQJNHUTVTO-LJAQVGFWSA-N 626.802 2.988 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccncc2)CC1=O 2356139451 YCDOFOCCBWJXIS-PMERELPUSA-N 533.673 2.657 0 50 KFAA CC[C@@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)O[C@H]2[C@H]1C 253634687 IUPCWCLVECYZRV-BGOFUQNGSA-N 581.747 2.670 0 50 KFAA COc1cccc(C(=O)N2CCC(C(=O)N3C[C@@H]4NC(=O)c5ccc(OC)c(c5)OCC(=O)NCc5ccc(cc5)O[C@H]4C3)CC2)c1 1704321273 GUKJELGGHIVQGJ-IZEXYCQBSA-N 642.709 2.653 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CC(C)C)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702185 AJBALDRTZWXENB-AHJLWFBBSA-N 785.947 2.808 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2cc[nH]c2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775976878 AXQYROXOOLOFDE-QCENPCRXSA-N 693.809 2.559 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(S(=O)(=O)c2cc(C)sc2C)CCCNC(=O)COc2ccc(cc2)C1 1857688925 MKRBREYXHZAEHO-PMERELPUSA-N 637.821 2.979 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(OC)nc2)CCNC(=O)COc2cc(ccc2OC)C1 1857703043 GCTLNVXWXJJTOB-YTTGMZPUSA-N 610.708 2.538 0 50 KFAA O=C1N[C@H]2CN(C(=O)Cc3cc(F)cc(F)c3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952863324 DRNPLFFMPQRLDI-GMAHTHKFSA-N 531.947 2.761 0 50 KFAA Cc1nc(SCC(=O)N2C[C@@H]3NC(=O)CN(C4CC4)Cc4cccc(c4)Oc4cccc(c4)CO[C@H]3C2)n[nH]1 952863587 BAZNZIHSHRPENL-DQEYMECFSA-N 548.669 2.888 0 50 KFAA CCN1CCC(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)CC1 1775983290 JPKAZRFGDHZJIG-HOFKKMOUSA-N 635.791 2.962 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc(C)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1800411737 MWRZDPDZNQOZAH-JGCGQSQUSA-N 629.776 2.992 0 50 KFAA CC(=O)N1CCC[C@H](c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875387124 PVBAUHYWZSCWBU-QHCPKHFHSA-N 536.658 2.680 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)cc2)C1=O 409414963 ZWAKNXSPSFIIKF-ZKMPZPQNSA-N 514.667 2.678 0 50 KFAA biogenic Cc1nc(C)c(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)c(O)n1 1616111487 NHAJDWPDHFPEQS-IZLXSDGUSA-N 587.677 2.841 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)Cc1c(C)[nH]c3ccccc13)CC(=O)N[C@H]2Cc1ccccc1 1704317289 GZIMZUOEBVMMJM-MXUAVAHLSA-N 626.762 2.507 0 50 KFAA Cc1cc(=O)cc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)[nH]1 1704321956 JEJJFGJHPINSNE-SDDUWZMOSA-N 670.811 2.612 0 50 KFAA Cc1cnc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)cn1 1704326826 OIRWRKWRJCQMAF-TZFWCWEWSA-N 655.800 2.714 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)C1(CO)CC1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857688890 XOIDXTJYAGYDMU-HVNZXBJASA-N 743.858 2.859 0 50 KFAA Cc1ncc(C(=O)N2CCCC(=O)N(CCc3ccccc3)CC(=O)N[C@H]3CCc4c(c(nn4C)C(=O)NCC2)C3)c(-c2ccccc2)n1 1857724228 QKPWWQMIRJKVAW-NDEPHWFRSA-N 662.795 2.896 0 50 KFAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@H](C2CC2)[C@@H]1Cn1cc(-c2ccc(Cl)cn2)nn1 2325843235 ZZHGTNBJALLALI-GCJKJVERSA-N 541.033 2.855 0 50 KFAA COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)CCC3=NNC(=O)CC3)C2)c1 14747178 LYAVSKHAYSJQAB-VWLOTQADSA-N 506.603 2.540 0 50 KFAA CCOc1cc(C(C2C(=O)N(C)C(=S)N(C)C2=O)C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 150346845 DIGVSAYAINWPNI-UHFFFAOYSA-N 704.625 2.612 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(S(=O)(=O)c2ccc(C)s2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772700995 AKTJYHXVNYBPGC-JYTFDMTESA-N 717.915 2.955 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCN3CCOCC3)c(=O)cc1[C@H](NC(C)=O)CC2 252537176 KNXPTOVGMVAPBH-RUZDIDTESA-N 596.725 2.894 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1ccc3nc(C)c(C)nc3c1)CCCNC(=O)[C@@H](C)NC2=O 1704322604 MTLZVZIYSBTEME-JOCHJYFZSA-N 584.681 2.896 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCn3nc(C)c(C(C)=O)c3C)C[C@@H]1NC(=O)CC2 1772714039 XGXCAUXHNXUPQC-WNJJXGMVSA-N 617.703 2.517 0 50 KFAA O=S(=O)(c1cccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1)N1CCOCC1 1857799969 RKXFZMVHBWFOPF-UHFFFAOYSA-N 541.695 2.803 0 50 KFAA CS(=O)(=O)N1CCC(c2cn(-c3ccccc3CCC(=O)N3CCc4c(C(=O)O)ccc(F)c4C3)nn2)CC1 1875325382 WWKBYOQWHFDPJS-UHFFFAOYSA-N 555.632 2.761 0 50 KFAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 1875328216 FZMSZJOTBAQRFJ-UHFFFAOYSA-N 500.890 2.686 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCC(C)(C)N3CCOCC3)CCN(C(=O)OC(C)(C)C)CC2)o1 2049513345 CAOHHQLNEVFFNA-UHFFFAOYSA-N 507.628 2.540 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)Cc3ccccc3Cl)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704328368 NALKZSIMOZHCEQ-CPJSRVTESA-N 557.091 2.594 0 50 KFAA COc1ccc2cc1OCCN(Cc1cc(F)c(OC)c(F)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704330255 AKHCCLKCLIWGGM-AREMUKBSSA-N 571.625 2.997 0 50 KFAA COc1ccc2cc1OCCN(Cc1ccccc1Cn1cccn1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704337244 PSIBOJHOOHLGHZ-SSEXGKCCSA-N 585.709 2.955 0 50 KFAA COCCNC(=O)[C@@H](c1ccncc1F)N(Cc1cnn(C(C)C)c1)C(=O)c1cc2c(cnn2C)nc1C 2325850617 CSQLNMCLRUVRHE-XMMPIXPASA-N 522.585 2.735 0 50 KFAA Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2cccc3ccccc23)n(C)c1=O 20290422 IQWMLAZXMZSCNL-UHFFFAOYSA-N 508.626 2.953 0 50 KFAA CC(=O)O[C@@H]1[C@@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O 257361252 TZHGYWCJIXHMJK-DHABSOBYSA-N 839.029 2.505 0 50 KFAA CCCn1nccc1S(=O)(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CC(=O)N(CC)CC(=O)N[C@H]2C1 952862896 NKPWZEWFVQZCPL-SVBPBHIXSA-N 595.722 2.955 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cc3nc4nc(C)cc(C)n4n3)CC[C@H]1OCc1cccc(c1)O2 952863779 GIASKXQQZKEPMS-WUFINQPMSA-N 627.702 2.863 0 50 KFAA COc1cc(C(=O)N2CCOc3cc(ccc3OC)-c3nccn3CCNC(=O)[C@@H](C(C)C)NC(=O)C2)c2ccccc2n1 1704326718 LVTSANVPVWGBET-GDLZYMKVSA-N 600.676 2.907 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cnn(Cc4ccccc4)c3)C[C@@H]1NC2=O 2356161578 APFHNFMELKAZEG-QCDSWUKFSA-N 611.655 2.659 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952864496 IJNICEGJTGVUDV-WUFINQPMSA-N 636.746 2.524 0 50 KFAA COc1cc2nc(C)n(CCNC(=O)[C@@H]3Cc4cc(NC(C)=O)ccc4N4C[C@H]5C[C@H](c6cccc(=O)n6C5)[C@H]34)c(=O)c2cc1OC 1848443387 NHBRXJDLFYSLKX-RBQJADEDSA-N 638.725 2.823 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(S(=O)(=O)c1cnn(C)c1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857699501 WAWWJZXDZXGPDL-IEWVHIKDSA-N 789.912 2.683 0 50 KFAA Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857741115 DBSABAYSSWLEDY-SANMLTNESA-N 627.167 2.514 0 50 KFAA Cc1c(NS(=O)(=O)c2ccc(C(=O)Nc3cnc4c(c3)C[C@H](N)CC4)cc2)c(=O)n(-c2ccccc2)n1C 2325861357 NQTRJIJKKDJJBO-HXUWFJFHSA-N 532.626 2.749 0 50 KFAA C[C@@H]1NC(=O)CN(C(=O)c2ccncc2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356139688 HOFYKUHECGHTAP-NRFANRHFSA-N 553.623 2.872 0 50 KFAA CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccc(C(N)=O)cn2c1C(=O)c1ccc(OC)cc1 2058738 DEIAJQFQZHNIHG-UHFFFAOYSA-N 506.602 2.645 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(Cc3cccc(Cl)c3)C2)nn1 14886519 LRVBXHFPZBOTJN-VWNXMTODSA-N 509.010 2.883 0 50 KFAA Cn1cc(Cl)c(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n1 1772713625 NCURUZRTWWSDNR-DQEYMECFSA-N 580.041 2.573 0 50 KFAA O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1CCOCc1ccccc1)[C@@H]1[C@H]3[C@@H]2C(=O)N(CCOCc3ccccc3)C(=O)[C@@H]21 245226145 JCNCGBKWUNBWRO-RBBLYMQUSA-N 540.616 2.684 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)Cn3nc(C)cc3C)CC(=O)N1CC2 1704316367 NQFFTFIQICKRME-PMERELPUSA-N 548.640 2.929 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)Cc3cccnc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772701813 OQTZVCQVGZYYEE-VJSXAPQFSA-N 740.902 2.754 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC1)C(=O)NC2 1772714109 ASWYKDSDCVHRNZ-SANMLTNESA-N 701.733 2.663 0 50 KFAA CCc1nc(O)ccc1C(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 2100534028 QBGOXQMJTIDQDR-RUZDIDTESA-N 562.671 2.785 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cc(-c4ccccc4)[nH]n3)C[C@@H]1NC2=O 2356161459 WNBZCLFPQJHIJW-OUTSHDOLSA-N 597.628 2.805 0 50 KFAA O=C1C[C@H](N2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C(=O)N1c1ccc(Cl)cc1 95496408 UFEOGUHWCDEDAQ-PMACEKPBSA-N 501.370 2.575 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616109476 IJNICEGJTGVUDV-IZLXSDGUSA-N 636.746 2.524 0 50 KFAA CCOC(=O)C1=C(CN2CCN(c3nc4ccccc4o3)CC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 12412575 UFPCAERMIOCWHI-HSZRJFAPSA-N 505.531 2.550 0 50 KFAA CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 72171888 OSOOWXRUSUHLOX-PBFVMIKGSA-N 573.771 2.826 0 50 KFAA CCOC(=O)c1nnsc1Sc1c(C(=O)OCC)nnn1C[C@H](C)n1nnc(C(=O)OCC)c1Sc1snnc1C(=O)OCC 195815073 VUJSBQXRBBVPCS-NSHDSACASA-N 698.791 2.843 0 50 KFAA CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@H]4[C@@H](CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@@H](OC(C)=O)C2)[C@@H]1O 257347032 NTCQLIABTKPIND-WWMZUHDESA-N 592.726 2.652 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3nc4ccc(C)cn4c3F)C[C@@H]1NC2=O 1704317356 IUWMBQBNBJHMRA-URXFXBBRSA-N 573.581 2.501 0 50 KFAA Cc1ccc(C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1Cl 1704324177 YAIIYZFXBOTXOZ-NBTXWSPXSA-N 738.311 2.883 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CN3CCCCCC3)C[C@@H]2Oc2ccc(cc2)CN1 1772713840 UECBHWKEJQYCHA-VMPREFPWSA-N 576.694 2.748 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cc(N3CCOCC3)no2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857698229 YMBPEZCHMZNZJW-FKVNTCEUSA-N 795.942 2.925 0 50 KFAA COc1ccc(C(=O)NC(=S)N2CCN(C(=O)OC(C)(C)C)CC2)cc1I 2891220 IYJQOFAKBMYZGP-UHFFFAOYSA-N 505.378 2.867 0 50 KFAA O=C1C[C@H](N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1 96561993 UNKUQGPJSAFXHQ-BGYRXZFFSA-N 501.370 2.575 0 50 KFAA COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225426658 LPZUFHLMUOJUJX-KPFFTGBYSA-N 520.538 2.550 0 50 KFAA biogenic CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 255961601 ABCCPEXHAJFNOT-ISJGIBHGSA-N 544.693 2.568 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3nnc4nc(C)cc(C)n34)CC[C@H]1OCc1cccc(c1)O2 952861506 CANSCIUHYMGOJS-RRPNLBNLSA-N 613.675 2.934 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3nc(O)c4cnn(-c5ccccc5)c4n3)CCSCC2)o1 1776111698 LXDUOOUPQJJDPV-UHFFFAOYSA-N 507.572 2.960 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(C)=O)CCCCNC2=O 1857688893 YKXIVRKGNIHHTL-HHHXNRCGSA-N 554.644 2.625 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccccc2F)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857707111 ZYLLGJGTJYHDIH-PKIMSIDOSA-N 655.731 2.952 0 50 KFAA Cc1nn(CC(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)c(=O)c2ccccc12 1940195059 BOKDROYMTKDLJE-MUUNZHRXSA-N 613.719 2.527 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cccnc1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940197575 ABKNJGWOUJLMCT-SANMLTNESA-N 582.661 2.722 0 50 KFAA CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cc3c(cc2F)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2325899435 DSGNSBMFPBBBND-IAPPQJPRSA-N 782.645 2.853 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)C1CCOCC1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356134763 BCCMXJLNGAJKRV-HVETUWLQSA-N 588.731 2.767 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cn5cccnc5n4)C3)CN1C(=O)CC2 2356136080 GBYBBQFAGXSZNE-FBILRYNDSA-N 588.709 2.901 0 50 KFAA CSCc1ccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(c(Cl)c3)OCCCn3cc(nn3)CC2)o1 952862277 NWAQHLAMNAQPFH-FCTLNWHPSA-N 718.277 2.681 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)c3ccnn3C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1615710191 IKVDNVHAHLWWBN-RSXGOPAZSA-N 531.613 2.533 0 50 KFAA CCCC[C@H](N)C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817453 MHDTVBNGTCLEID-WATLYSKOSA-N 609.753 2.748 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)c1c[nH]c(=O)cn1)CCCC(=O)N[C@H]2Cc1ccccc1 1772817964 VHZDCHUBHUKZSG-LVXARBLLSA-N 660.757 2.716 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(Cn3cnnn3)cc2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857710775 OXOGWDJFBXQCSX-PMERELPUSA-N 648.728 2.758 0 50 KFAA COCC[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 2100533106 AKIMRUZTIFTVCD-GDLZYMKVSA-N 592.659 2.972 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2cscn2)CC1=O 2356134098 YEOOGJISYNFDLC-NDEPHWFRSA-N 539.702 2.718 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C[C@@H]1NC2=O 2356162338 IBOMCQGXXTVORH-IZZNHLLZSA-N 626.670 2.950 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2ccc(F)c(F)c2)CCNC1=O 952863213 HAGKTRUQEFKKKO-LEFTWQHSSA-N 704.175 2.504 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccc(C)nc3O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316768 COHDWFXSKLLVET-SLCUOWJHSA-N 824.980 2.673 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(Cc1cnc(N3CCCC3)s1)CCCNC(=O)[C@@H](C)NC2=O 1704337312 ZMPLJQHDFDHWRU-OAQYLSRUSA-N 566.732 2.753 0 50 KFAA CC(C)CC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713332 JOLQSKDFYORSBT-UIOOFZCWSA-N 521.614 2.918 0 50 KFAA COCC[C@]1(C(=O)NCCc2ccccc2Cl)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875240419 RWSPHDOLSFBGEY-SSEXGKCCSA-N 573.134 2.649 0 50 KFAA C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)CSc2cn(C)c3ccccc23)CCCCN(C)C1=O 952856306 XOQOWGVABJYOSM-NRFANRHFSA-N 609.749 2.760 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cc2csc(C)n2)CCNC(=O)COc2cc(ccc2OC)C1 1857705700 RIIQSTKOHMNFLP-WJOKGBTCSA-N 614.765 2.829 0 50 KFAA O=C(Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1)NCc1ccccc1F 1875328154 BCPLDQNYJKHRHB-UHFFFAOYSA-N 576.654 2.952 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cnc(O)c(Cl)c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533771 ZLPGTHPOYSVLNK-HSZRJFAPSA-N 569.062 2.876 0 50 KFAA Cc1ccc(OC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c(-n2nc3ccccc3n2)c1 986231 CGECLSHKPONOLA-OAQYLSRUSA-N 518.551 2.734 0 50 KFAA CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O 3995616 DEQITUUQPICUMR-HJPBWRTMSA-N 611.743 2.717 0 50 KFAA biogenic,world CCCc1c(Cl)c2c(O)c3c(c(O)c2c(=O)n1C)-c1c(c(OC)c2oc4c(c(=O)c2c1O)[C@@H](O)[C@@H](O)C[C@@H]4O)CC3 60091375 NEZGGHIIKFHZCZ-MZFXBISCSA-N 585.993 2.973 0 50 KFAA biogenic,in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCC3CCOCC3)c(=O)cc1[C@H](NC(C)=O)CC2 252532984 FQAGKSOZCFUKPF-JOCHJYFZSA-N 539.629 2.818 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cccc(O)n2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704315575 KUFGXXZUOCALIO-CWVHMPPTSA-N 686.810 2.725 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)CCNC(=O)COc2ccc(cc2OC)C1 1800430298 HTPHCOCEFWWONG-PGUFJCEWSA-N 718.870 2.688 0 50 KFAA O=C1CN(C(=O)c2cc(F)ccc2F)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)Cc1cccnc1)C[C@@H]32 1875242424 RKQIJIOWDDVNLX-QXNWPYRLSA-N 576.600 2.948 0 50 KFAA O=C1CN(Cc2nc3ccccc3[nH]2)CCCCOc2cccc(c2)[C@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2N1 2100533395 NGBLIEVKUSRPOW-SQHAQQRYSA-N 556.671 2.720 0 50 KFAA O=C1CCC[C@@H](CC(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@@H](O)Cc2cc(Cl)cc(Cl)c2)N1 2325876850 CHMFCPPNQYGCCD-KKMBPYAXSA-N 504.414 2.854 0 50 KFAA CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O[C@@H]2C[C@H](O)CC3=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@]32C)[C@@H]1O 255223984 KSIVGTKSVYIZEB-ZAVODWKASA-N 764.950 2.959 0 50 KFAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cc3ccccc3[nH]2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704324283 MWMLQTCAKGAERX-KERQDKDASA-N 721.859 2.701 0 50 KFAA Cc1ccnn1CCN1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772705475 MVFNSZIMHZNQSO-NSOVKSMOSA-N 545.640 2.551 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2c3c(nn2C)CCCC3)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713153 GGXGFYIWVWRWGH-LOTJKCTMSA-N 719.888 2.649 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2cnn3cccnc23)CCNC(=O)COc2cc(ccc2OC)C1 1857704946 MDDOXZXUQUCCDM-JGCGQSQUSA-N 606.724 2.537 0 50 KFAA O=C(NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1)c1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2325879535 YODDQBRJFNFZCR-NSOVKSMOSA-N 514.626 2.752 0 50 KFAA Cn1cc(CNC(=O)c2c(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C3CC3)cnn2C)cn1 2802444 DHZVMQKTUWGOAA-UHFFFAOYSA-N 529.321 2.578 0 50 KFAA COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(I)c(OCCO)c(OC)c1 59608273 ZGFYQVWJEAZPRB-LJQANCHMSA-N 597.431 2.889 0 50 KFAA CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 255276197 WJQOMUVKRDJBGZ-COUNGWPASA-N 794.976 2.974 0 50 KFAA biogenic COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 306146069 AFQGZOMSSIQDMD-SYKYGTKKSA-N 587.629 2.847 0 50 KFAA Cc1cccnc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714427 PWGAYWJMPYCRGE-SVBPBHIXSA-N 556.619 2.889 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3-n3cncn3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857741609 BYDTTZYQYJGUOC-HXWWLSFBSA-N 748.801 2.692 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(Cc3ccccc3OC)C2)nn1 12204382 XMTVTTHMMRUGHW-RDPSFJRHSA-N 502.575 2.729 0 50 KFAA O=C(c1cc(=O)[nH]c(O)n1)N1CCC[C@@H](COc2cccc(CN3CCN(c4ccccc4F)CC3)c2)C1 14985919 YFCMWXCJHBTWGS-OAQYLSRUSA-N 521.593 2.868 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC(=O)N(CCc2ccccc2)C1 102302448 VQPPBCUWGIZSSH-MHZLTWQESA-N 547.700 2.625 0 50 KFAA CCn1nc(CC(C)C)cc1C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(ccc2OC)CCC(=O)NCCC1 952865819 WLNKFXSVKCFBNG-DEOSSOPVSA-N 626.799 2.827 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)c1cc3n(n1)CCNC3=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817847 UFUUQBNWYZWFEL-CUNXSJBXSA-N 701.810 2.573 0 50 KFAA Cc1cc(C)n(CC(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)Cn3nc(CC4CC4)nc3[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)NC2=O)c(=O)n1 1857688881 VEQAJMFPLHJBQX-YIEKEJRYSA-N 779.943 2.660 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)CCn1nc(C)cc1C)CC(=O)N[C@H]1CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]21 2100533566 VBPGNAOAASEWOV-RPBOFIJWSA-N 603.676 2.663 0 50 KFAA Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCOc3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)=[N+]1[B-]2(F)F 2325870372 UYMYHWVYAQCMRY-RUZDIDTESA-N 619.434 2.862 0 50 KFAA CC(=O)N1CC(=O)N[C@@H](C(C)C)c2nc(c(C)o2)C(=O)N[C@H](C)c2nc(cs2)C(=O)N[C@H](Cc2ccccc2)C1 2356135067 OMWJYHFARYRTLE-LQNXUBFPSA-N 566.684 2.947 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccc[nH]2)CC1=O 2356138717 QKHJSWSGSBUZOG-LJAQVGFWSA-N 521.662 2.590 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)COC)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952856631 DRWUXXJVZIRFFK-UIOOFZCWSA-N 539.629 2.991 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccc(F)cc2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321851 BGWWJCOFJQFZHJ-KEPSJGTLSA-N 760.893 2.886 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccc(-n4cnnc4)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323000 SAWLOCGMYRZNSW-SLXWKMJVSA-N 861.017 2.844 0 50 KFAA Cc1ccc(C(=O)N2CCNC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c(=O)n1C 1772713250 BFERRQYMRJLLGW-ZEQRLZLVSA-N 659.769 2.941 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cc2cn3ccsc3n2)CCNC(=O)COc2cc(ccc2OC)C1 1857706546 KSQKCEMHODSPAS-JGCGQSQUSA-N 639.775 2.773 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)Cc4cccc(F)c4)C3)CN2C1=O 2100532797 ADIVGPUTAUFJQP-IAAUAWTHSA-N 562.686 2.850 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(Cc3ccc(OC)c(C)c3C)C2)nn1 102560267 XGFPDZLKQXYESP-RSXGOPAZSA-N 532.645 2.855 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc[nH]1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775979044 DVLVLGYVVMNRPI-DEOSSOPVSA-N 523.590 2.669 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(CCn2c(=O)oc3ccccc32)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533807 GGIFTNYJHXIRML-RUZDIDTESA-N 574.682 2.890 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(c3nc(N(C)C)nc4c3CCCC4)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162938 URSVVSVKKUNHGF-XCZPVHLTSA-N 602.692 2.513 0 50 KFAA CC(C)c1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)no1 952864562 XGKSIZCLJDYRKK-UHFFFAOYSA-N 506.607 2.996 0 50 KFAA CCOC(=O)[C@H](CC1=CN[C@@H]2C=CC=C[C@@H]12)NC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1772665191 SXBXYLJEUWKBRZ-XDWXJERXSA-N 511.578 2.930 0 50 KFAA CCCNC(=O)[C@H]1CC[C@@H](Cn2c(=O)c3sccc3n(CC(=O)NCc3cccc(OC)c3OC)c2=O)CC1 1775953574 WEYSXROVYGHCNZ-KDURUIRLSA-N 556.685 2.891 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cnn3ccn(C)c13)CCNC2=O 1875241508 DSZWPCSNYFUOTR-MUUNZHRXSA-N 639.717 2.718 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCC(=O)Nc1cccnc1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292156 ACUXQUJAURDIOB-JEGXSXKCSA-N 554.651 2.901 0 50 KFAA Cc1nc2ccc(-n3cc(CCCNC(=O)C[C@H]4NC(=O)N(c5ccc(F)cc5)C4=O)nn3)cc2s1 2325850355 VRRKUFQGAVQGRJ-HXUWFJFHSA-N 507.551 2.888 0 50 KFAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)Cc1c(C)[nH]c3c(C)ccc(C)c13)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952864713 PHLBTPZYYCEIRO-QNLPTKCRSA-N 629.762 2.685 0 50 KFAA CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C 1772820319 GHSKUVKACGPNGN-BIAKGAGPSA-N 636.691 2.748 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)CC1CC1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857702996 LUUMFIROIYXIJP-KCEHZKJRSA-N 665.788 2.910 0 50 KFAA COCC[C@@]1(C(=O)NCCN2CCOCC2)CNC(=O)CCCN(C(=O)c2c(-c3ccccc3)noc2C)CCCNC(=O)COc2ccc(cc2)C1 1875240361 BIWKIUFHVDXXSY-KDXMTYKHSA-N 732.879 2.601 0 50 KFAA COC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OC(C)(C)C 102235878 XZIAFJYALQGLMK-SFHVURJKSA-N 540.683 2.975 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3CCC3)C[C@@H]1OCc1cccc(c1)O2 952859222 OOSDCOYIAKSHRI-SVBPBHIXSA-N 566.655 2.833 0 50 KFAA CN1CCNC(=O)C[C@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952861524 ADEYUVWTMLDZGE-HFZDXXHNSA-N 606.127 2.635 0 50 KFAA CN1CCNC(=O)C[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCCCC3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615705974 ADEYUVWTMLDZGE-RLWLMLJZSA-N 606.127 2.635 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(Cc2cccc(O)c2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704316595 WMDPHDXRFXNYLQ-RJSONGRPSA-N 744.919 2.812 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCN(C4CCCC4)CC3)C[C@@H]1NC2=O 1704321600 BGJMQAFVYXEMCX-WNJJXGMVSA-N 576.694 2.747 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(N4CCCC4=O)cc3)C[C@@H]1NC(=O)CC2 1772714251 HOTZHPHFJWUQTH-FIBWVYCGSA-N 612.683 2.852 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)CCc2c(C)noc2C)CCCNC(=O)COc2ccc(cc2)C1 1775980439 ASEDOAQTBJPTTB-JGCGQSQUSA-N 614.740 2.676 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1ccno1)CCNC2=O 1875241537 BGGZOOGECBMLSU-AREMUKBSSA-N 587.637 2.720 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533873 JNRLHOIJRYEBMQ-WJOKGBTCSA-N 646.789 2.720 0 50 KFAA O=C(NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1)c1ccc(N2CCN(C[C@H](O)CO)CC2)cc1 2325879536 YODDQBRJFNFZCR-WUFINQPMSA-N 514.626 2.752 0 50 KFAA CCOC(=O)N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 59844843 KNQZYJUOMHOLIQ-UHFFFAOYSA-N 556.037 2.862 0 50 KFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 230290502 YQTIPJSYUMZZNU-QCBVKJJZSA-N 992.089 2.580 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)[C@@H]1CCCN1C(N)=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817936 UVOCDZZMVZNZGB-GVUKDKGQSA-N 678.816 2.862 0 50 KFAA CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H](O)[C@H]1C 1775953670 JBYIGHZCRVMHAK-DQFXCBHJSA-N 732.997 2.786 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(Cc1cnc[nH]1)CCNC2=O 1940197706 KMMDANRKZFTSTI-HHHXNRCGSA-N 572.670 2.815 0 50 KFAA COc1ccc(CCNC(=O)Cn2c(=O)n(-c3ccc(F)cc3F)c(=O)c3sccc32)cc1OC 9598704 LAENMNGMBGVMQW-UHFFFAOYSA-N 501.511 2.868 0 50 KFAA O=C1CN2C(=O)[C@]3(CCN(C(=O)CCCn4cccn4)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952861646 GLBGZNQJMNKPAO-LMSSTIIKSA-N 513.598 2.820 0 50 KFAA Cn1cc(CCC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cn1 952868206 FEGWBTVOERXDLI-KYJUHHDHSA-N 603.720 2.605 0 50 KFAA CCCC[C@H](C)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C[C@@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 4544482 UVBUBMSSQKOIBE-VVBGIHNQSA-N 721.838 2.564 0 50 KFAA in-man COC(=O)C1=C(C)N=c2s/c(=C/c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 16711776 FZZSREYQDOPWJP-OBXYEHHASA-N 500.935 2.987 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 263586576 VXHVFDQYSSFKAR-NZKOQHMWSA-N 622.840 2.900 0 50 KFAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952861966 DTWJBESMDKUZTO-FGWWUDHJSA-N 791.968 2.537 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(Cc3cc(Cl)ccc3OCC(=O)O)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952864411 VRHBHAULXXDULP-XCZPVHLTSA-N 625.078 2.979 0 50 KFAA Cc1cccc(Cl)c1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952866533 BGOQSMNQXYKGDL-DEOSSOPVSA-N 549.075 2.952 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)Cc2cccnc2)CCCCNC(=O)[C@@H](C)NC1=O 1704321995 AOIPKHUYWOMOTR-WHODAWOQSA-N 654.812 2.940 0 50 KFAA CC(=O)OC1=C(C)[C@@H](OC(C)=O)C[C@H](O)C(CO)=C[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C 1772820403 USDGRBIQBGVGOS-ARLJFNNLSA-N 594.654 2.596 0 50 KFAA NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3CC2)cc1 1857703619 PJVKCOKQZRJUNV-NRFANRHFSA-N 507.678 2.595 0 50 KFAA CC[C@@H]1NC(=O)CCCN(CCCO)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857703955 XKRZCULTGRIHOB-QHCPKHFHSA-N 558.651 2.736 0 50 KFAA COCCN(Cc1cc2ccc(OC)cc2nc1N1CCN(C(C)=O)CC1)C(=O)c1cc(C)c(C)[nH]c1=O 20450280 IYULDYBWRNVSEA-UHFFFAOYSA-N 521.618 2.506 0 50 KFAA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O)C(C)C 251784120 JGZHHIOHNGYFHO-NKRSRWBGSA-N 548.681 2.560 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)CSC)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704328517 KCMGXNVXQGMGLW-VAPSASEMSA-N 653.846 2.674 0 50 KFAA COc1ccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c(OC)n1 1772704263 LETFXBQBMUJWBI-SVBPBHIXSA-N 602.644 2.598 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cc2csc(C)n2)CCNC(=O)COc2cc(ccc2OC)C1 1857705699 RIIQSTKOHMNFLP-HKBQPEDESA-N 614.765 2.829 0 50 KFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1 59616935 LKIVPVZDWSNJGS-UHFFFAOYSA-N 563.629 2.689 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cccc(Cn4nc(C)cc4C)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316709 BMCGKHNVJRKDML-WDJKZLNSSA-N 715.896 2.917 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc3c(c2)OC(F)(F)O3)CCN(C)C(=O)[C@@H](C)NC1=O 1704323614 SBUJAARZFCCLLW-QTHPMFNASA-N 755.845 2.603 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)C3CCOCC3)CC(=O)N1CC2 1704324430 QBTCGWCTMCIMRT-MUUNZHRXSA-N 524.614 2.842 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccncc2)CCNC(=O)COc2cc(ccc2OC)C1 1775982190 LPYKAPXZWFQOFZ-WJOKGBTCSA-N 580.682 2.530 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CC(C)C)CCCCNC2=O 1857700685 JUAVGZLJHUKLCE-RUOFSAEFSA-N 697.830 2.517 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccccn3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857711049 YNZCIGITBFSGKF-LDMZEJKHSA-N 682.738 2.506 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@@H]2CCCN2)CCCNC(=O)c2csc1n2 2084380331 GPLDINAUBACRBN-BKSPAHHJSA-N 623.805 2.841 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cccn(C)c4=O)C3)CN1C(=O)CC2 2356136015 CVKWFXZSJOMBHL-FBILRYNDSA-N 578.710 2.557 0 50 KFAA CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)[C@@H]1OC(C)=O 257346858 BTRWTSHCXGFFFL-PBNNGZFYSA-N 590.710 2.812 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CCS(C)(=O)=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817610 PINDMFQICHIFBD-NVQXNPDNSA-N 672.830 2.754 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccccc2-n2cncn2)CCCC1=O 2356137073 QMZNVTSMXFISOS-XIFFEERXSA-N 599.736 2.842 0 50 KFAA CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C)N[C@@]4(C(=O)N(CC(=O)N5CCc6ccccc65)c5ccccc54)[C@@H]3C2=O)cc1 245255039 DWYLCFZEMJWYFF-ZHMIOJHTSA-N 563.614 2.574 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2cc3c(cc2Cl)OCO3)CCN(C)C(=O)[C@@H](C)NC1=O 1704332601 TWBHZLABPKVIMK-QQZXAZDFSA-N 754.310 2.663 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2Oc2ccc(cc2)CN1 1772702731 DRMLZASZMYCHSP-SVBPBHIXSA-N 542.592 2.581 0 50 KFAA Cc1ncsc1CN1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)C1CCC1)C[C@@H]32 1857725553 BYJINVJMUKHRHE-KDYSTLNUSA-N 510.660 2.957 0 50 KFAA O=C(Nc1ccc(-c2n[nH]c(Cc3ccncc3)n2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1875387134 QGFXINVTIDPPJY-UHFFFAOYSA-N 502.600 2.940 0 50 KFAA CCCN=c1ncc(CN2CCCCOc3cccc(c3)[C@H]3CN(C(=O)CCn4nc(C)cc4C)C[C@@H]3NC(=O)C2)c[nH]1 1940194890 AEXBHRCXXFNLIB-WDYNHAJCSA-N 588.757 2.709 0 50 KFAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(C(=O)CCc3ccncc3)C[C@@H]1NC2=O 2356162504 LMFPWLSYADYQEU-UIOOFZCWSA-N 528.609 2.810 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3scnc3c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321907 HWZRRZWIUYAVMB-AREMUKBSSA-N 576.679 2.960 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2ccccn2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713857 UKDCOIXNKLHIFJ-XNSHOJTPSA-N 648.809 2.792 0 50 KFAA CNC(=O)[C@H](c1cnn2ccccc12)N(CCS(=O)(=O)NC1CC1)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 2325839006 GFLDMVBPLNAJBN-VWLOTQADSA-N 578.699 2.549 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cc[nH]c2)CCCC1=O 2356134270 GWQRPYNMZODBAK-LJAQVGFWSA-N 521.662 2.590 0 50 KFAA C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 111087535 KIRYUCYCQUHQOS-QGZVFWFLSA-N 579.678 2.754 0 50 KFAA CCc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)s1 952858574 DNEBHGHZVYKBOM-QHCPKHFHSA-N 534.686 2.615 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cccc(OC(F)F)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704317231 HUFTWNVJAJDSDA-RUZDIDTESA-N 585.608 2.952 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ncoc2C(C)C)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704324254 ZWPWISBRRXOEQW-MXSCXNJPSA-N 775.933 2.858 0 50 KFAA COc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)cn1 1875387221 URVDJEWTWXRREM-UHFFFAOYSA-N 532.626 2.949 0 50 KFAA Cn1[nH]c([C@H]2CCCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc4ccccc4c3)C2)nc1=N 2325869705 YLELKEQJDWZAKW-UPVQGACJSA-N 518.643 2.677 0 50 KFAA Cn1cnn(-c2ccc(NS(=O)(=O)c3c(Br)cc4nc(O)oc4c3Cl)cc2)c1=O 2325870979 XNSLRZYYEAPYBJ-UHFFFAOYSA-N 500.718 2.635 0 50 KFAA O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1 20325498 SIYMNPAJWJOGCU-UHFFFAOYSA-N 507.612 2.998 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 97950526 CPRGVNRMJWPGPY-ITIZVALFSA-N 550.589 2.658 0 50 KFAA CCOCC(=O)N1CCC(C(=O)N2CCNC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)C2)CC1 1772713321 HBWBHLZVXMBBQL-UIOOFZCWSA-N 707.854 2.895 0 50 KFAA O=C(COc1ccc(-n2cnnn2)cc1)N1CCCOc2cccc(c2)CC[C@H]2CCCCN2C(=O)C1 1857706526 JTIRLRDBBPFULL-JOCHJYFZSA-N 504.591 2.666 0 50 KFAA O=C1CN(C(=O)c2cc3ccccc3s2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857709164 IQOGZHOSALCJBP-DEOSSOPVSA-N 588.690 2.513 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(CC2CCOCC2)CC1=O 2356134068 WLXJSCKNMOHYTA-PMERELPUSA-N 526.722 2.848 0 50 KFAA C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 111087533 KIRYUCYCQUHQOS-KRWDZBQOSA-N 579.678 2.754 0 50 KFAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)C)[C@H](C)O 150663004 PGVJHCSNAXLBAW-ORSHIMHRSA-N 789.927 2.725 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2cccc3cnccc23)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713477 NAUFAOHBOBFLCR-OENWMMNHSA-N 639.757 2.732 0 50 KFAA Cc1nc(CC(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cs1 1772714166 CWDRKLMGYOKDNO-SVBPBHIXSA-N 576.675 2.880 0 50 KFAA CCOC(=O)c1oc2cc(O[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 1857525756 CONXBBMDYHPWGK-SFHBLSPUSA-N 698.630 2.870 0 50 KFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1S(=O)(=O)c1ccccc1OC(F)(F)F 1857709185 JLIKZSDHQKNELK-ZWKOTPCHSA-N 541.548 2.744 0 50 KFAA COc1ccc(-c2cn(CC3(O)CCN(C(=O)c4ccc5c(c4)NC(=O)[C@@H](C)N5C)CC3)nn2)c(F)c1F 2325860334 CUORAOWENUUUIQ-OAHLLOKOSA-N 526.544 2.676 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497361 ARWVTIKJEMLWAI-BTRWLOMLSA-N 583.546 2.625 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cncnc2O)CCCNC(=O)c2csc1n2 1772817008 DAJSDXLQRODXFP-RDPSFJRHSA-N 648.771 2.898 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cncc(C)c2)CCNC(=O)COc2cc(ccc2OC)C1 1775983536 NAJUIYXYVHRJMN-YTTGMZPUSA-N 594.709 2.838 0 50 KFAA N=c1ccc(C(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)Cc4ccccc4Cl)C[C@@H]3C(=O)NCC2)c[nH]1 2100533540 UKSZLKTWCIFOOQ-RPBOFIJWSA-N 562.070 2.973 0 50 KFAA O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1159113 NPSHFDBJRBGDPW-UHFFFAOYSA-N 514.625 2.513 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 22108039 RMFQTRVRIOZJRM-PZDOZLBDSA-N 508.552 2.544 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(CSC)o3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952863142 FZQLJKAOCSIDSS-AHWVRZQESA-N 580.663 2.958 0 50 KFAA COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)c1ccc(-c3noc(C(C)C)n3)cc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952870136 VVWUQXUDCFZESY-DPPICBEFSA-N 793.882 2.561 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)Cn1cccnc1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817113 HHQOBOLXAKGDBN-HOFKKMOUSA-N 674.784 2.576 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)Cn2ccccc2=O)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857703456 QHPLAEKSKKXRKT-FKVNTCEUSA-N 750.901 2.648 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc(-n3cccn3)cc2)C1 14740797 VPPLEUOIFKCOPR-AREMUKBSSA-N 533.629 2.619 0 50 KFAA COc1cc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)ccn1 1772704372 LWHNYXMMIVITSS-SVBPBHIXSA-N 572.618 2.590 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cccnc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818064 YBWIJBLSBYOOCI-OFVILXPXSA-N 601.689 2.939 0 50 KFAA CCc1nccn1CCC(=O)N1CCCNC(=O)[C@H]2CN(C(=O)c3c(C)noc3C)C[C@@H]2c2cccc(c2)OCC1 1940193550 SWHHNYFTBGZIOE-RPBOFIJWSA-N 562.671 2.724 0 50 KFAA O=C(C[C@H]1CCCN1Cc1nc(O)c2ccccc2n1)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1 2325878083 DHOUAMVDXGGEDQ-QGZVFWFLSA-N 504.526 2.698 0 50 KFAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 2325878588 VHFPGHJAHAKJDX-ZQKOOVEDSA-N 556.700 2.879 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)CCCCNC(=O)[C@@H](C)NC1=O 1704315673 BEGJOJYARUBVNE-SJHFQCKASA-N 721.863 2.806 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc3ccccc3n(C)c2=O)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713380 FZQZIXWBTFTWGS-LSJJIYBBSA-N 742.878 2.889 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533320 KGERUMHWQSNEPK-GDLZYMKVSA-N 629.762 2.756 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21 2363036 BVSJRGZMRDQZSN-AGGMBTAESA-N 523.636 2.613 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(NC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 15723163 CRQRFNHNRSGVTL-RWTNITNYSA-N 521.595 2.774 0 50 KFAA Cc1cccn2c(CC(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)Cn4nc(-c5ccccc5)nc4[C@H](C)NC(=O)[C@@H](C(C)C)NC3=O)cnc12 1857704400 QLMUZXQBUYCXNP-VYVPPWFUSA-N 705.820 2.698 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc[nH]1)CC(=O)N[C@H]1CN(C(=O)CCC(F)(F)F)C[C@H]21 2356162880 RZWSQOUUBXNIBY-MJGOQNOKSA-N 522.524 2.701 0 50 KFAA COc1cc(Cl)ccc1C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704315677 BHXDPDKFIKSPGC-MHFIUEFXSA-N 754.310 2.583 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2c(C)noc2C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702611 XADCXPZVPXQKKH-OSDLZFKDSA-N 680.807 2.642 0 50 KFAA CCN1CCN(C(=O)c2cn[nH]c2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857726053 VBLSHSVFUGOKGG-HXUWFJFHSA-N 579.702 2.684 0 50 KFAA COc1cc2ccc1OCC(=O)NCCN(C(=O)C1CCOCC1)CCCC(=O)NC[C@](CCC(C)C)(C(=O)NCc1c(C)n[nH]c1C)C2 2356162687 IGQZBPQXBDHUFT-PSXMRANNSA-N 682.863 2.977 0 50 KFAA O=C(CCS(=O)(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NCCCCCCNC(=O)CCS(=O)(=O)CCS(=O)(=O)c1ccc(Cl)cc1 150580600 ZEJQVKKPTUTBAV-UHFFFAOYSA-N 761.790 2.644 0 50 KFAA COc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)c2ccccc12 263586292 SIXJIUNHTBIAFX-PZJWPPBQSA-N 544.677 2.874 0 50 KFAA biogenic CCN1CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857725229 XTZFXSDOXKYNON-RUZDIDTESA-N 671.803 2.996 0 50 KFAA COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1cc2ccc(OC)cc2[nH]c1=O 225416413 PUIYAVKVCDQQIJ-ZWCUEREDSA-N 573.602 2.672 0 50 KFAA biogenic CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2c(F)cccc2Cl)CCN(C)C(=O)[C@@H](C)NC1=O 1704324451 QZCXUUVEKBJUMI-XCCMYTKMSA-N 756.301 2.643 0 50 KFAA CCn1c(CCC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1875254173 BUUNHRTTXKQOJA-UHFFFAOYSA-N 577.729 2.725 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CSc1ccccc1)CCCNC(=O)CC2 952861796 HDVRROSVCLCJOB-QHCPKHFHSA-N 598.766 2.891 0 50 KFAA CCN1CCN(C(=O)CCCn2cncn2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857724360 XAIRHKLWCIWXJO-HSZRJFAPSA-N 622.771 2.719 0 50 KFAA CCS(=O)(=O)N1CCOc2cc(ccc2OC)-c2nccn2-c2cc(CN3CCOCC3)cc(c2)C1 1857726566 XLCOMTDFUVLCLM-UHFFFAOYSA-N 512.632 2.924 0 50 KFAA Cc1cccn2c(CC(=O)N3CCCNC(=O)[C@H]4C[C@@H]5CCCN5[C@@]45C(=O)N(CCC3)c3ccccc35)cnc12 2356136922 BOGMGKYKVXMQEJ-OKWBYJIHSA-N 540.668 2.650 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc(O)nc1C(C)C)CCCNC2=O 2356138031 FSJSBMUTQZAFNG-NDEPHWFRSA-N 607.712 2.987 0 50 KFAA O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1 1128519 PFYFERFANBZHTO-QGZVFWFLSA-N 500.358 2.782 0 50 KFAA O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 2851873 POTZNBDUKDHKQC-UHFFFAOYSA-N 512.617 2.521 0 50 KFAA CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 150338669 XBCBVEZYAJFLPS-FUDKSRODSA-N 548.681 2.560 0 50 KFAA aggregator Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCCN3CCCC3=O)C[C@H]1NC(=O)CN(C)C2=O 1615710834 OSYKBSOBGWTMHI-FTJBHMTQSA-N 562.667 2.878 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)c1ccc[nH]1)C2 1772701430 KZVTWAOGXWHGEG-RUZDIDTESA-N 602.692 2.659 0 50 KFAA CCS(=O)(=O)N1CCCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(c(OC)c2)CNC(=O)[C@H](C)NC(=O)[C@H](CCc2ccccc2)NC(=O)C1 1857704918 LBFLQFHFROMLHZ-QCDSWUKFSA-N 737.876 2.910 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cccnc1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533538 UIQZRUHWALZCSF-AREMUKBSSA-N 548.644 2.526 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccc(-n4cnnc4)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322843 PDQCNIHJUSMDEQ-SLXWKMJVSA-N 861.017 2.844 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccc3nc[nH]c3c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704326677 LCSMOWQHECGJMJ-UJHKNFJSSA-N 725.847 2.576 0 50 KFAA CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCc2ccco2)c2cc(OC)c3c(c2OC)OCO3)c1O 253496546 MXUVRLJGQNLIIZ-AWEZNQCLSA-N 514.487 2.847 0 50 KFAA COc1ccc(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)cc1 952856554 MSAFAOZUVRKDPB-AREMUKBSSA-N 552.651 2.824 0 50 KFAA Cn1cc(C(=O)N2CC[C@]34C(=O)N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)c2ccccc24)cn1 952858589 FBBGRRRXJZOTEQ-LBNVMWSVSA-N 509.570 2.866 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)c3csc(N)n3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616091770 MCGKMWANZNUFEG-VWNXMTODSA-N 549.653 2.838 0 50 KFAA COc1cccc2c1OCc1cn(nn1)CCCOc1ccc(F)cc1C(=O)N1CC[C@]3(O)CCN(C2)C[C@@H]3C1 1704318647 OXAUKGHCDDTXRQ-ONOMSOESSA-N 551.619 2.886 0 50 KFAA O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)C(=O)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 1875351442 WDEVZVJTCXPYIN-UHFFFAOYSA-N 572.626 2.930 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCc1ccc(N(C)C)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713593 MSDOVWUPXSRQIV-HKFHRXRESA-N 658.848 2.955 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCCc1nc(O)c3c(C)c(C)sc3n1)C2 1857690877 QGBPTJRDHUWEDQ-MGBGTMOVSA-N 652.818 2.705 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)[C@@H]1CCCCN1)CCCCNC2=O 1857704749 DUWYMCUVEGKZQV-QABMSTFYSA-N 623.751 2.747 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)Cc1cnc2c(C)cccn12 2100533617 AZQCNOGOAJDOSR-BJKOFHAPSA-N 561.683 2.764 0 50 KFAA Cc1nn(CCC(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)c(C)c1C 2356138988 UMXGLSSEMXRQRB-LOLKONATSA-N 532.689 2.663 0 50 KFAA O=C1[C@@H]2[C@@H](C(=O)N1CCOCc1ccccc1)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(CCOCc3ccccc3)C(=O)[C@@H]21 245226146 JCNCGBKWUNBWRO-TWHWDPKVSA-N 540.616 2.684 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cnc(N3CCOCC3)s2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772817409 OFZRUDSAHHPUAC-DVIHYUSWSA-N 739.944 2.690 0 50 KFAA O=C(CSc1nnc2c(n1)[nH]c1ccc(S(=O)(=O)N3CCOCC3)cc12)Nc1ccc(F)c(F)c1 17357211 ACOIYXRZBOTDKY-UHFFFAOYSA-N 520.543 2.536 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952862527 PCFTYJHZDFJIAI-DNMDQSTESA-N 754.929 2.598 0 50 KFAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(Cc2cc3ccccc3o2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704323201 AZKQGTFDOJNKKA-JACSWMEWSA-N 621.804 2.859 0 50 KFAA Cc1cc(CC(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)on1 1772818880 ZVIPFJSSSWQIMT-LVXARBLLSA-N 619.704 2.769 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)CCn2nc(C)cc2C)CCNC(=O)COc2cc(ccc2OC)C1 1775976945 DJUMFPXHISYTGS-MGBGTMOVSA-N 625.767 2.725 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccncc3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708299 MEXDSLWFGFVSNP-QIHOXZLRSA-N 682.738 2.506 0 50 KFAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](c6ccccc6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 4214218 SBPPWJIDARICBS-ONJFOWIISA-N 664.660 2.994 0 50 KFAA O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2ccc3c(c2)OCCOCCOc2ccc(S(=O)(=O)N4C[C@@H]5C[C@@H](C4)Cn4c5cccc4=O)cc2OCCOCCO3)C1 150520034 VEWPBOOJCZBIIR-RACKDBBVSA-N 864.996 2.888 0 50 KFAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704324256 ZYULCNOAOZMVCG-DHLKQENFSA-N 554.047 2.715 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cc(C)nc(C)n3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713494 NQYBVOMOGKVMQN-SZETWRQASA-N 755.917 2.837 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)CCn1nc(C)c(C(C)=O)c1C 2100533120 AUPUDHRSOWAPPM-LOSJGSFVSA-N 581.714 2.671 0 50 KFAA CC(=O)N1CCc2cc(Br)c(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)cc21 40450227 KYBFHASAJOYOOW-UHFFFAOYSA-N 520.449 2.871 0 50 KFAA CC(=O)N1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1 101673084 JMEYDSHPKCSIJC-UHFFFAOYSA-N 519.572 2.827 0 50 KFAA in-man COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 253497374 FTCLAIAXKAGMBI-AYKQTRSJSA-N 598.557 2.931 0 50 KFAA biogenic,in-vitro COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(OCC(N)=O)cc2)C[C@H]1C 888089928 QEWJXUXZBOFJAZ-NSHQFOKRSA-N 637.045 2.703 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)Cn2ccnc2-c2ccccc2)CCNC1=O 952857009 GNRMUOPXZJUOEN-HHHXNRCGSA-N 616.698 2.705 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cccc(-c3cn[nH]c3)c2)CCNC1=O 952866517 ALUIRAGWWBGTTM-ZWBRNCLNSA-N 734.258 2.616 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCCNC1=O 1704322583 MMXGDWPXQMEQDM-GNPWNAQMSA-N 645.723 2.750 0 50 KFAA CCCN1CC(=O)N[C@@H](C(C)C)c2nc(cs2)C(=O)N[C@H](C)C(=O)N[C@@H](CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc2ccccc2)C1 1704325184 ZBPCUUKUXSLORI-MUANRIAXSA-N 701.960 2.661 0 50 KFAA CCc1nccn1CCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772703175 GZUHMHZNYMIAMD-NSOVKSMOSA-N 587.677 2.721 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2[nH]c3c(c2C)C(=O)CCC3)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775977099 GUZKEZFJVXTKQR-WRONEBCDSA-N 647.777 2.991 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cncn1C)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775976866 ARIBSCDQXOEJNG-HSZRJFAPSA-N 586.649 2.661 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1nc3ccc(C)cn3c1F)CCCCNC2=O 1857705873 ZCPYXBXUAZQQOR-YPCYDDIISA-N 789.862 2.880 0 50 KFAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCCC(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857724371 XNUAGOMSQKAADC-DEOSSOPVSA-N 683.839 2.607 0 50 KFAA CCOC(=O)N[C@@H](C(=O)c1ccc(C)cc1)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1857800613 KLXHGCOWLGXDGD-GBXCKJPGSA-N 504.605 2.956 0 50 KFAA COc1cc(F)ccc1CN1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CN(C(=O)c2cn(C)cn2)CCCO4)C1 1875240336 ALROQPFPOYSLFH-YUDQIZAISA-N 563.630 2.587 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CCOC)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616123325 OXIRPVAYLTVSLY-SXOMAYOGSA-N 597.709 2.938 0 50 KFAA Cn1ccnc1[C@@](O)(CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)C(F)(F)F 2325873941 ZQPACDBGRWZSPO-KUHUBIRLSA-N 522.311 2.888 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3c(C)oc4c3C(=O)CCC4)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161120 GWHNHJFXMDCRIT-HOFKKMOUSA-N 603.628 2.835 0 50 KFAA COc1ncccc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952865862 UOINEAACHMSTAI-VMPREFPWSA-N 602.688 2.956 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCCn3cccn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318858 RUYHXWBEBAHEFU-FGMAMLAKSA-N 826.012 2.627 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCCc3cccs3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704335240 BQYIVFOTGNUYDT-FQYQUSJJSA-N 655.862 2.826 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)[C@H]1CCC(=O)N1)CCCC(=O)N[C@H]2Cc1ccccc1 1800430552 QMXGIKUECDEYJH-UFPGJGBJSA-N 649.774 2.597 0 50 KFAA CN1C(=O)CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875240574 DGTHLEDUCZMBNG-XMMPIXPASA-N 564.731 2.543 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cncc(F)c1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533487 RFEZKDJMKYFCKC-SANMLTNESA-N 600.651 2.861 0 50 KFAA O=C1COc2cc(C(=O)O)cc(c2)C(=O)N[C@H]2CN(Cc3ccccc3OCCn3ccnc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713670 OMTBITLVHACUNZ-JDXGNMNLSA-N 611.655 2.731 0 50 KFAA O=C1CC[C@H](c2ccccc2)CCNC(=O)CN(C(=O)CCCc2nc(-c3ccncc3)no2)CCCN1 1875241850 FYFXEGLPZORTMZ-QFIPXVFZSA-N 518.618 2.873 0 50 KFAA CCOC(=O)[C@]12C(C)=C[C@](C)([C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]31)[C@@H]1C(=O)N(c3ccc(OC(C)=O)cc3)C(=O)[C@@H]12 245231343 BVJDYHYRDSMKSB-MVECKTQDSA-N 614.607 2.978 0 50 KFAA COc1ccc([C@H]2Cn3nnc(CN4CCC(NC(=O)c5nn(C)c6ccccc56)CC4)c3CO2)cc1 263616868 KZILJMVMIUSODY-RUZDIDTESA-N 501.591 2.839 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(c3ccc4ccccc4n3)CC2)C(=O)N[C@H]1Cc1ccccc1 952856958 KFUALPHGQNCFBJ-SANMLTNESA-N 523.641 2.903 0 50 KFAA CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 8671230 FNHFVNFSRSNYKV-UHFFFAOYSA-N 510.012 2.840 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 253406013 IQLSTLJMNCSZSH-ZCYQVOJMSA-N 662.831 2.500 0 50 KFAA biogenic CN1CC(=O)N[C@H]2CN(C(=O)COc3ccc(-n4cnnn4)cc3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952856845 GZJMNRXMHGVWAT-XZWHSSHBSA-N 625.686 2.541 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccncc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316956 DOLGGPRQMHIFAU-SLCUOWJHSA-N 794.954 2.659 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(C)nc4c3c(C)nn4C)C[C@@H]1NC(=O)CC2 1772713880 VTTVDADLCCSSHB-LSYYVWMOSA-N 612.687 2.623 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857700218 DJIKKGWKXJGKRI-WYOOIXGGSA-N 671.799 2.845 0 50 KFAA Cc1cccc2nc(C(=O)N3CCCNC(=O)c4nn(CCC(C)C)c5c4C[C@@H](CC5)NC(=O)CCC3)cn12 2100533252 HMZRHPQSPVKIIT-OAQYLSRUSA-N 533.677 2.915 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccncc2)CCCC1=O 2356139377 WVTGFJSHZXDPHW-PMERELPUSA-N 533.673 2.657 0 50 KFAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)ccc21 8603580 QGVBMDJWAWTHMU-KRWDZBQOSA-N 519.023 2.534 0 50 KFAA CCOC(=O)N1CCN(Cc2ccc(OC[C@H]3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2)CC1 19743969 MIISADOZHIEROF-QHCPKHFHSA-N 533.629 2.900 0 50 KFAA COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225427137 PRCORYUHMNQLGW-AGHHOFFYSA-N 534.565 2.608 0 50 KFAA biogenic CCc1ncc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cn1 952855940 URQMNNQHZZLLTB-NDEPHWFRSA-N 612.735 2.624 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CCCc2nc(-c3cccnc3)no2)CCNC1=O 952856695 AELQCEIKTVJKRD-AREMUKBSSA-N 647.712 2.610 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cncc(O)c2)CCCCNC(=O)[C@@H](C)NC1=O 1772714194 FFZWLOXEJGJAGI-XGJRVREISA-N 656.784 2.716 0 50 KFAA COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCSc2nnnn2-c2ccccc2)cc1OC 3612435 CMWMSOLDVLCIBK-QHCPKHFHSA-N 580.692 2.704 0 50 KFAA Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 2325823045 CPWULZUZBSHQFN-UHFFFAOYSA-N 553.641 2.675 0 50 KFAA CCOC(=O)CN1C(=O)[C@]2(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c2ccccc21 245256769 SIHWJLLANVMQEL-SHJMPOBASA-N 509.562 2.812 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCc3cnn(C)c3)C[C@H]1NC(=O)CN(C)C2=O 1615704994 OHCMQUYBRVUAEM-FTJBHMTQSA-N 545.640 2.842 0 50 KFAA COc1ccc2c(c1)OCCn1cc(nn1)COc1c(OC)cccc1C(=O)N1CCC[C@@H](CNC2=O)C1 1704323471 TVEKMZFDQIEQQU-SFHVURJKSA-N 521.574 2.549 0 50 KFAA COc1ccc2cc1OCCCN(Cc1cccnc1)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857705336 CNXXERAUDJHWGC-KCEHZKJRSA-N 585.705 2.971 0 50 KFAA COCC[C@@]1(C(=O)NCCCN2CCCc3ccccc32)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875239842 FQOIUVXCVAKCKR-UMSFTDKQSA-N 607.796 2.596 0 50 KFAA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)NCC4CCC5(CC4)OCCO5)cn3)CC2)cc1C 2325825561 VCWHPCNSTWVUSU-UHFFFAOYSA-N 528.675 2.872 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2ccc[nH]2)CCCC1=O 2356134719 ZARODRMNXYRACR-GDLZYMKVSA-N 521.662 2.590 0 50 KFAA COc1cccc(CN2C(=O)c3cccc(N4CCN(C(=O)[C@@H](O)c5ccccc5)CC4)c3C2=O)c1OC 14993113 OOHDRANNKLBDKQ-VWLOTQADSA-N 515.566 2.882 0 50 KFAA CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@H]1CCCN(S(C)(=O)=O)C1 20214492 IXHZKIPOJSAOTH-ZDUSSCGKSA-N 502.460 2.930 0 50 KFAA Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 639022 BLZOXONTWBENEK-UHFFFAOYSA-N 591.777 2.998 0 50 KFAA biogenic COC(=O)c1ccc(N(S(=O)(=O)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 2759597 INYGTXPZMCIXKU-UHFFFAOYSA-N 545.595 2.974 0 50 KFAA Cc1cc(C)c(C(=O)N2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1C 1704322986 RPHVYQOSMJVLHU-DSAOOHFSSA-N 731.920 2.847 0 50 KFAA COc1ccc2c(c1)C(=O)N[C@@H](CC(C)C)c1nc(cs1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCCO2 1704339414 FKHUKIFUTAXLTM-HZRDQOKSSA-N 732.864 2.566 0 50 KFAA COCCC[C@]1(C(=O)NCCN2CCCCC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857690808 MFUOXBFUNMQAJD-MGBGTMOVSA-N 604.752 2.533 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(Cc2ccc(OC(F)(F)F)cc2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704317116 GITUCGUIHNQGBA-UDZXTKBFSA-N 619.685 2.622 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc3c(c2)CCO3)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772702520 SXYKDMZNTDZBOG-KZFQQWRHSA-N 703.841 2.972 0 50 KFAA Cc1cc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)on1 1772817831 SYUILSBZMBMUNE-CYFREDJKSA-N 605.677 2.840 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccnc(O)c2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775978163 NURFQZYJYHBOOY-CPJSRVTESA-N 617.688 2.645 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 657124 CNJMPIHGCHPINK-RWTNITNYSA-N 524.595 2.920 0 50 KFAA CCCC1=C(C(=O)OCC)[C@@H](c2cc(I)c(OCC(N)=O)c(OCC)c2)NC(=S)N1 1126855 IGEQAIAGHVLKPM-QGZVFWFLSA-N 547.415 2.690 0 50 KFAA C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)c2ccc(Cl)s2)CCCCN(C)C1=O 952863581 CCOQFNHEBNZNRT-INIZCTEOSA-N 551.065 2.505 0 50 KFAA COCc1nc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@@H]3C2)no1 1616115694 RSTZLRWAGHRWNQ-PKTZIBPZSA-N 535.601 2.678 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(Cc2ccccn2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704324248 ZTLAHNNTSMMRNR-QZFRTWIZSA-N 729.908 2.501 0 50 KFAA COCCC[C@]1(C(=O)NCc2cccnc2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705551 MDSSZESFWRLJSQ-JGCGQSQUSA-N 584.677 2.642 0 50 KFAA COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(S(N)(=O)=O)cc2)C(Cl)(Cl)Cl)cc1 13482477 LYOQSTRXZXQVFD-OAHLLOKOSA-N 511.840 2.755 0 50 KFAA COc1ccc([C@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263588771 YEGISIFXFZAXHH-IBGZPJMESA-N 524.574 2.777 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ncc(F)cc2F)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857697171 ZBHKEAVHBNELSK-BVZFJXPGSA-N 613.666 2.508 0 50 KFAA CCc1nccn1CCC(=O)N1C[C@@H]2c3cccc(c3)OCCN(C(=O)c3c(C)ncnc3C)CCCNC(=O)[C@H]2C1 1875241471 SIPHOCLYKUAUHQ-FTJBHMTQSA-N 573.698 2.526 0 50 KFAA O=C(Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1)C(=O)N1CCC[C@H](n2c(O)nc3cccnc32)C1 1875351383 UFEMUDSXMGLIIM-IBGZPJMESA-N 554.563 2.614 0 50 KFAA CN(C[C@@H]1C[C@H](F)CN1C(=O)CCOc1ccccc1I)C(=O)c1cnc(S)n1C 2325876766 ASBRPDSGPVRGJK-KBPBESRZSA-N 546.406 2.794 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)CN(Cc1cnc[nH]1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356137250 UVOZUBZSUXNKIO-LPTQZCDUSA-N 556.693 2.737 0 50 KFAA CCOC(=O)N1CCC(N2C[C@@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCc2cccc(C(F)(F)F)c2)CC1 101806034 URSNBTNNWOOYHT-FPOVZHCZSA-N 552.554 2.636 0 50 KFAA C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cnnc(O)c1C(F)(F)F 1857524145 UQZCQKXJAXKZQH-LBPRGKRZSA-N 523.438 2.566 0 50 KFAA O=C1NCCCN(C(=O)COc2cccc(Cl)c2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875240307 QJDGJVGLIKIGLQ-JMFZDZGDSA-N 523.033 2.794 0 50 KFAA Cc1ccc(-n2c3c(c(=O)[nH]c2=O)[C@](c2c(C)[nH]n(-c4ccccc4)c2=O)(C(F)(F)F)C(=O)N3)cc1C 2863464 OKIYOMJFFZQWRN-DEOSSOPVSA-N 511.460 2.731 0 50 KFAA C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(Cc2cnc(C3CCCCC3)nc2)CCCCN(C)C1=O 952857898 XKVUYLFYBSFJPU-QFIPXVFZSA-N 580.730 2.988 0 50 KFAA CCCC(CCC)C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2ccc(cc2OC)C(=O)NCCC1 952858205 ZCHZDBWSCCHVQK-NRFANRHFSA-N 546.709 2.996 0 50 KFAA CSCCC(=O)N1C[C@@H]2NC(=O)CCCNC(=O)c3cc(cc(C(=O)O)c3)Oc3cccc(c3)CO[C@H]2C1 952862815 LYMCOTKGGGOMSA-GOTSBHOMSA-N 541.626 2.666 0 50 KFAA CCOCCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 952864683 YWAQEFHZGGXHPS-IZZNHLLZSA-N 523.630 2.912 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)CCn1c(C)nc3ccccc31)CCCNC(=O)[C@@H](C)NC2=O 1704322029 CONAMNJPFGFWBX-JOCHJYFZSA-N 586.697 2.771 0 50 KFAA O=C(N[C@H](CO)[C@@H](O)c1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 2325851324 WKPRDNKQMGLQKT-AQNXPRMDSA-N 531.856 2.856 0 50 KFAA O=C(C[C@@H]1CCCN1Cc1nc(O)c2ccccc2n1)Nc1ccc(F)c(NC(=O)Cn2cncn2)c1 2325878082 DHOUAMVDXGGEDQ-KRWDZBQOSA-N 504.526 2.698 0 50 KFAA CCCCC[C@H](O)[C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O 87528756 OBQVBASHEWLKCQ-PKBWNXTMSA-N 625.785 2.777 0 50 KFAA in-vitro CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CN2CCCCC2=O)CCNC(=O)c2csc1n2 1772713120 DUUFKFFMURYXJY-GOTSBHOMSA-N 649.774 2.633 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(CC(=O)NCCc3ccc(F)cc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713921 XDHJAIGJDCIRJT-CONSDPRKSA-N 616.690 2.844 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2cccnc2OCC)CCCNC(=O)COc2ccc(cc2)C1 1857695343 FQDOOJOUMLNEOY-JGCGQSQUSA-N 612.724 2.546 0 50 KFAA 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@@]3(C)CC[C@@H](O)C[C@@H]3CC[C@]21O 253609824 QZTRRTOMKSKXLP-NJTMRYFESA-N 515.713 2.512 0 50 KFAA Cn1cnc(C(=O)N2CC[C@]34C(=O)N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)c2ccccc24)c1 952866001 VYFCJPZRIWVORB-LBNVMWSVSA-N 509.570 2.866 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cc(C)on2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704328916 OXVNHBOOQZHADA-CARQOULDSA-N 674.799 2.921 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(C(=O)Cc1c(C)nc(C)nc1O)CCNC(=O)CC2 1857727551 TULJKUXPDBFPSE-AREMUKBSSA-N 617.703 2.947 0 50 KFAA C[C@@H](c1ccc(C(F)(F)F)cc1F)N(C)C(=O)CNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325898581 MJVXDPRKPCMVGV-KPZWWZAWSA-N 534.466 2.877 0 50 KFAA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(C4CCCCC4)n3N)cc2)nc(C)n1 2865615 KOPQSJURTDTSFR-UHFFFAOYSA-N 516.653 2.978 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 96022225 WFMMXMWVAJIZKH-JGTYQCAFSA-N 554.621 2.841 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3nc(C)[nH]c3c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704324801 UXYYVHOUWNUYQH-HHHXNRCGSA-N 573.654 2.535 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(Cc2ccccn2)CCCNC(=O)COc2ccc(cc2)C1 1857705575 NCVPHXAMLMTSCK-SSEXGKCCSA-N 554.688 2.507 0 50 KFAA O=C1[C@H]2[C@H](C(=O)N1CCC(=O)N1CCC[C@@H]1c1nc(-c3ccccc3Br)no1)[C@H]1CC[C@H]2O1 1875322317 PFBYUQIYQHJAIC-BQUOXIOCSA-N 515.364 2.715 0 50 KFAA O=C(N[C@@H]1CCCN(C(=O)[C@@H]2Nc3cc(C(F)(F)F)ccc3S(=O)(=O)N2)C1)c1ccc(Cl)cc1 2325843400 DRCAMEIUJDRSJJ-CRAIPNDOSA-N 516.929 2.810 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)Cc3cccc(Cl)c3)C[C@@H]1NC2=O 2356162125 YOMFNJTUCFJKEN-CUNXSJBXSA-N 580.037 2.997 0 50 KFAA COc1ccc(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)c(OC)c1OC 1772713583 MPSLEDSGLXMANK-VIZCGCQYSA-N 677.803 2.596 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2ccno2)CCNC(=O)COc2ccc(cc2OC)C1 1800430718 WQRSLRUIMXMIRV-PMERELPUSA-N 586.686 2.759 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(CCn4c(=O)oc5ccccc54)CCNC(=O)[C@H]3C2)no1 1875239925 ADERJUFBLMJTBQ-RPWUZVMVSA-N 559.623 2.648 0 50 KFAA COc1ccc(OC)c(S(=O)(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)c1 1940197158 VZOSBOLORFOFIA-RUZDIDTESA-N 613.737 2.688 0 50 KFAA CCOc1ncccc1C(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 2100533331 KMORSLOQXOSFJP-RUZDIDTESA-N 562.671 2.916 0 50 KFAA COC(=O)c1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(SCC(=O)C(C)(C)C)nc2c1 2970529 GEWLFXRVXNTMAI-UHFFFAOYSA-N 517.629 2.781 0 50 KFAA O=C(N[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1I 3137487 UPFOXNIZYRRBPG-GFCCVEGCSA-N 522.623 2.924 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccs1 16805499 MNPKEQKPAACJIZ-CNSVBDKNSA-N 500.598 2.504 0 50 KFAA O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(S(=O)(=O)N2CCOCC2)cc1 100632742 LJSOYWRKLBQFFM-NDEPHWFRSA-N 574.703 2.747 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cnn(C)c2)C[C@H]1C 888089111 IDCCBECPARKLKG-ZHJPETKGSA-N 567.986 2.572 0 50 KFAA COc1c2c(c(CNC(=O)CC3(c4oc(C)cc(=O)c4O)CCSCC3)c3c1OCO3)CCN(C)C2 1848443284 DGGBFJSWUCVMNX-UHFFFAOYSA-N 516.616 2.850 0 50 KFAA Cc1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c(C)n1 1857702252 GBNLAJWQRTUNRU-YKZUFBCQSA-N 666.783 2.825 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(CC(C)C)CCCNC2=O 2356135327 ZKCMTOIMXVKPLI-DEOSSOPVSA-N 500.644 2.579 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)C(C)(C)OC)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713618 NJFBOUKFARYXRV-KYVYNOIWSA-N 721.896 2.542 0 50 KFAA Cc1cccn2c(CC(=O)N3CCNC(=O)Cn4nc(-c5ccccc5)nc4[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c4cc(on4)C3)cnc12 1772714151 CELORPUSVRMWAA-WNCULLNHSA-N 680.770 2.612 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)c1cc(C)on1)C2 1772714565 XGDVDKZLPSDLLF-JOCHJYFZSA-N 535.601 2.979 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)Cn1c(C)cc(=O)c3ccccc31)CCCCNC2=O 1857704824 HGBRZPVZMRVVJK-VKGBVYSDSA-N 812.921 2.794 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CCNC(=O)COc2cc(ccc2OC)C1 1857706560 LETKAPQAZQIEQK-DIPNUNPCSA-N 691.826 2.768 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(OCC(N)=O)cc2)C[C@@H]1C 888089930 QEWJXUXZBOFJAZ-TTYVNRHESA-N 637.045 2.703 0 50 KFAA CSc1ncccc1C(=O)N1CCNC(=O)Cn2cnc3c2CCN(C(=O)c2cnc(-c4ccncc4)nc2)[C@H]3c2cccc(c2)OCCCNC(=O)C1 1857701828 QQIVBOZIFAPJRK-UMSFTDKQSA-N 746.854 2.797 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21 2363033 BVSJRGZMRDQZSN-SADKCHQCSA-N 523.636 2.613 0 50 KFAA Cc1cnn(CCC(=O)N2CC[C@]34C(=O)N(CC(=O)NCCCOc5cccc(c5)[C@H]23)c2ccccc24)c1 952862970 OPAJCWDHWQAUIT-LMSSTIIKSA-N 513.598 2.739 0 50 KFAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(Cl)cc2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704323554 VJMOMAJZRWGHMC-KRPGDOMYSA-N 717.267 2.873 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)c1ccccn1)C2 1772701284 DHQYTMKSAMGVNB-AREMUKBSSA-N 614.703 2.726 0 50 KFAA O=C1COc2cc(C(=O)O)cc(c2)C(=O)N[C@H]2CN(C3CCN(Cc4ccco4)CC3)C[C@@H]2Oc2ccc(cc2)CN1 1772713681 QHFNUZRSMDIPOW-NSOVKSMOSA-N 574.634 2.513 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(-c3ccccc3C(=O)O)nn2)c1 1875324986 PUFUQUSRQXMCDG-UHFFFAOYSA-N 537.573 2.898 0 50 KFAA COc1nc(C(=O)N2CCCCN(C(=O)[C@H]3CC(=O)N(CC(C)C)C3)CCOc3cccc(c3)-c3nccn3CCC2)nn1C 2356134413 LWXSJJWBJJKCOO-VWLOTQADSA-N 620.755 2.725 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 14396121 UXNOBMGWMBAJDM-XOYGFPHKSA-N 524.595 2.833 0 50 KFAA CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c2ccccc21 169712742 PJFQYXJEWPMYMV-CULQRQJQSA-N 534.682 2.623 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3nn[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2 409413676 QUSSTJDKFMTKAS-TZIWHRDSSA-N 565.631 2.841 0 50 KFAA COC(=O)C[C@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O 888089883 NEICBXGZTOIXNC-HXUWFJFHSA-N 521.574 2.844 0 50 KFAA COCCCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1cccc(N)n1)[C@H]1CCN(C(=O)C2CCCC2)C1 2325839596 YTGKTKZEOUDMIR-UNMCSNQZSA-N 501.672 2.997 0 50 KFAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497382 JWTWVAVUQMMSIC-AJIIGFCHSA-N 592.981 2.933 0 50 KFAA CC(=O)O[C@@H]1[C@H](O)CO[C@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)[C@@H]1OC(C)=O 257361253 TZHGYWCJIXHMJK-FYCFXGQJSA-N 839.029 2.505 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 409414418 QKSVANPFVPFJCF-YTFSRNRJSA-N 530.666 2.644 0 50 KFAA O=C1N[C@@H](CC2CCCCC2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn(nn2)CCOc2cccc1c2 952863345 VKZQRXQWUJYRJH-SXOMAYOGSA-N 544.656 2.783 0 50 KFAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704316298 LVMHWVPPEBNGMN-FDDCHVKYSA-N 576.683 2.582 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)N(Cc3ccccc3OC)C2)nn1 824220751 XMTVTTHMMRUGHW-YKSBVNFPSA-N 502.575 2.729 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3c4c(nn3C)CCCC4)C[C@@H]1OCc1cccc(c1)O2 952862437 KDFDFKQKMWCCQZ-KYJUHHDHSA-N 646.745 2.959 0 50 KFAA COc1cc2ccc1O[C@@H]1CN[C@@H](C1)C(=O)NCCCCN(Cc1cccc(C)c1)CCCNC(=O)CC2 1704319605 XWTYPBFEOUHDFL-UIOOFZCWSA-N 522.690 2.964 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccc(F)cc2Cl)CCN(C)C(=O)[C@@H](C)NC1=O 1704322382 NVTXWOAFMYYYER-WSDOZCAUSA-N 742.274 2.714 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)C1CCN(C(=O)N(C)C)CC1)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704327938 VGMBUVQOBUJVOM-DSNGMDLFSA-N 555.720 2.732 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)c1cccnc1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857690603 GNOXHSMUNQCAMF-HEIROHQZSA-N 688.782 2.819 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2ccncc2)CCNC(=O)COc2cc(ccc2OC)C1 1857704854 IKUUZZKSLOAIAK-HKBQPEDESA-N 566.699 2.890 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857707526 BMKHSPKYVUMUCC-LLMNMBLRSA-N 701.869 2.957 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3)c1 2325901574 LXCMUEQXSSWESK-DQEYMECFSA-N 586.670 2.819 0 50 KFAA CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCC(=O)OC 253405899 IOETUSYKVJVIES-GGYXIUMZSA-N 569.655 2.979 0 50 KFAA biogenic CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(CCn3cnnc3C)CC[C@@H]1OCc1cccc(c1)O2 1616068136 WFBDPCKHVCXSPP-SXOMAYOGSA-N 548.644 2.639 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)c2ccc(cc2)CNC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC1=O 1616118126 MKPOCCAAFFFFMN-DFBJGRDBSA-N 610.115 2.610 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2cnsc2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775984296 NLPUWGOMYIDAJL-BHBYDHKZSA-N 711.849 2.687 0 50 KFAA COc1ccc([C@@H](CC(=O)NCc2cc(=O)n(-c3ccccc3)[nH]2)c2c(O)nc3ccccn3c2=O)cc1 2049513513 TYMDBYMFLQGGBF-JOCHJYFZSA-N 511.538 2.726 0 50 KFAA CN1CCCNC(=O)c2cc(ccc2Cl)S(=O)(=O)N(c2ccccc2)CC=CCNCCC1=O 2325894011 JOQVCUWYLUYMGP-UHFFFAOYSA-N 505.040 2.663 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 631663 VBLLVOGFTHHTCY-GSOQPGDSSA-N 508.552 2.544 0 50 KFAA COc1ccc(CN2C[C@H](OCc3ccccc3F)CN(C(=O)c3cnc4ccccn4c3=O)CC2=O)cc1 102398128 HCAJHDHQENJIRQ-QHCPKHFHSA-N 530.556 2.912 0 50 KFAA CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@@H]4CC[C@]5(C)[C@H]6C[C@H](O)[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O 253505056 HWKJSYYYURVNQU-HFNDIRJISA-N 822.986 2.789 0 50 KFAA biogenic COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)c1ccc(=O)n(C)c1)CCNC(=O)CC2 1857726041 UQNADLYDWKGWQS-VWLOTQADSA-N 588.661 2.604 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N[C@@]4(c5cccc(OC(F)F)c5)CCCOC4)ccc3C2=O)C(=O)N1 2325901357 ANMMUYYVMUDVKK-IBVKSMDESA-N 528.512 2.876 0 50 KFAA COc1ccc(C(=O)N2CCCCNC(=O)[C@@]3(CCCc4ccccc43)NC(=O)CN(CCC(C)C)C(=O)C2)cn1 2356135244 VSFYOKYDPFYFDJ-HKBQPEDESA-N 563.699 2.665 0 50 KFAA CC1=C[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1 253917057 DAIKHDNSXMZDCU-XMERXJNXSA-N 525.602 2.659 0 50 KFAA biogenic,in-vivo COc1ccc2cc1OCCN(C(=O)c1cc(C)oc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323217 CEAICVOABDSCNP-RUZDIDTESA-N 537.617 2.560 0 50 KFAA CCN1CCN(C(=O)CCn2ccccc2=O)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875242729 YXZNTBSLLKFINL-XMMPIXPASA-N 634.778 2.899 0 50 KFAA O=C1N[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952857293 VMSKRVCHTLPIEI-URXFXBBRSA-N 523.981 2.897 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCc3cnn(C)c3)C[C@@H]1NC(=O)CN(C)C2=O 952864685 OHCMQUYBRVUAEM-IZZNHLLZSA-N 545.640 2.842 0 50 KFAA CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CCOCCOCCOCCNC(=O)COc5cccc6c5C(=O)N([C@@H]5CCC(=O)NC5=O)C6=O)CC4)cn3)cc2n(C2CCCC2)c1=O 1848350490 PHXAASMYZCBYHV-PSXMRANNSA-N 936.036 2.929 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4ccccc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100534246 ZMWDMVCKOKJTHL-LFOFZZIDSA-N 502.659 2.752 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CC(=O)N(Cc2ccc(OC)cc2)C1 14743382 PMLGYNLDWOGBBM-VWLOTQADSA-N 511.619 2.580 0 50 KFAA CC(C)(O)CCC(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 28760054 VVBWBGOEAVGFTN-VHYGUFJVSA-N 520.707 2.944 0 50 KFAA biogenic,in-vitro CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 252441449 WIGHCPZBXOGLKE-MEWYFECESA-N 780.993 2.882 0 50 KFAA Cc1ccc2cc1OCCCn1cc(nn1)-c1cccc(c1)C(=O)N1CC[C@]3(O)CCN(C[C@@H]3C1)C2=O 1704336352 GNQKOVWWWFXZSB-FIPFOOKPSA-N 501.587 2.775 0 50 KFAA Cc1cc(CC(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)on1 1772713088 CHQIDKHASHNFKC-SDDUWZMOSA-N 658.800 2.841 0 50 KFAA O=C(c1cccc2ccccc12)c1cn(CCCCO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12 97950308 VFGKIHYPMBEHBR-DYXRGMLLSA-N 519.550 2.715 0 50 KFAA in-vitro CN(C)S(=O)(=O)c1cccc(/N=C2\S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)c1 136639577 UINYSFFWXJFRHL-LEWNTAFASA-N 561.642 2.984 0 50 KFAA C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 139217771 RGMDMBNMKCOGME-AEVNEEFTSA-N 506.632 2.935 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]2Oc2ccc(cc2)CN1 1772714350 MWZIBULNJDTZEO-FIBWVYCGSA-N 599.640 2.957 0 50 KFAA COc1ccc2[nH]c(C(=O)N3CCCC(=O)N(CCc4ccccc4)CC(=O)N[C@H]4CCc5c(c(nn5C)C(=O)NCC3)C4)cc2c1 1857725554 BZNRHCBPYOWBLL-VWLOTQADSA-N 639.757 2.621 0 50 KFAA CCn1/c(=N\N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21 13509865 ZTOJFFHGPLIVKC-XPWSMXQVSA-N 514.632 2.669 0 50 KFAA in-vitro CC(=O)Nc1c(I)c(N)c(I)c(C(=O)O)c1I 95848761 XCNHOBHCZBIGJP-UHFFFAOYSA-N 571.878 2.739 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCNC(=O)COc2ccc(cc2)C1 1857706687 NKPWWWTXDFJJKV-YTTGMZPUSA-N 652.774 2.666 0 50 KFAA Cc1ccc2c(c1)C(=O)NCCN(S(=O)(=O)c1cc(-c3cc(C)no3)ccc1C)CCCC(=O)NCCO2 1857710886 WAJBXEXTPXCEOA-UHFFFAOYSA-N 540.642 2.976 0 50 KFAA CC(=O)c1ccc(C(=O)N2CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C2)s1 1704321579 ANVHHKVNDCNZNQ-GOSISDBHSA-N 552.657 2.600 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)C(C)C)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322465 LHZFUKCNNGSIEJ-NKHHQPSRSA-N 635.806 2.967 0 50 KFAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2C[C@H]1C(=O)NCCCCN(C(=O)Cc1cccnc1)CCCN2C(=O)CC(C)C 1704323254 FDTSVCOINFHBSS-YTMVLYRLSA-N 607.800 2.580 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(Cc1cscn1)CCCCNC2=O 1857705396 FVYWYCRANNBYHT-MMFLPWJGSA-N 710.854 2.601 0 50 KFAA NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4noc(C(F)(F)F)n4)cc3)CC2)cc1 2325776717 PFXFQGBBKOGJHG-UHFFFAOYSA-N 523.493 2.894 0 50 KFAA COc1cc(CC(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc(OC)c1OC 2356134101 YFANVKVLIJNCRZ-PJDZOMOHSA-N 576.694 2.720 0 50 KFAA COc1cc2ccc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(Cc1cccnc1)CCCNC2=O 2356134997 LTGYXVBDUQYIEJ-SANMLTNESA-N 535.649 2.518 0 50 KFAA Cn1c(=O)[nH]c(=O)c2c1nc(SCc1cccc(Br)c1)n2C[C@H](O)COc1ccccc1 829848 DDMMYGWTUDYRNI-INIZCTEOSA-N 517.405 2.918 0 50 KFAA O=C(Nc1ccc(I)cc1C(=O)N1CCN(CCO)CC1)c1ccccc1Cl 20294405 FVJCBBJHBIOUEV-UHFFFAOYSA-N 513.763 2.947 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@H](C(=O)O)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 218079038 OEEKWWOCYSSFTC-DFBJGRDBSA-N 541.601 2.500 0 50 KFAA biogenic COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)CCc3ccc(O)nn3)CC(=O)N1CC2 1704321822 GISUEDLIJXVTNZ-PMERELPUSA-N 562.623 2.544 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)CCCc3nc(-c4ccncc4)no3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704324427 QATJOQZHMNHYJK-XGNZJKERSA-N 732.883 2.697 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cc(C(F)F)[nH]n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324876 XEWMGMVXLAISPM-HZQDMWOMSA-N 833.938 2.924 0 50 KFAA COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](c1cn(C)c(=O)n(C)c1=O)N(C(=O)c1ccc2c(c1)CC2)c1ccc(N2CCCN(C)C2=O)cc1 2325850708 FUYRCOXYVMKJJQ-ACHIHNKUSA-N 692.773 2.733 0 50 KFAA CCOC(=O)C1=C(CN2CCN(S(=O)(=O)c3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 13960437 NAQSKLCKDFASLW-DEOSSOPVSA-N 512.632 2.597 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(C3C4CC5CC(C4)CC3C5)C2)nn1 102325703 UXTGYGPNLQBZDQ-LUIYGWMASA-N 536.652 2.993 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cccn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952857787 OKKBBSARIVHCBP-WUFINQPMSA-N 619.719 2.798 0 50 KFAA Cc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@@H](CC(C)C)NC(=O)c4cc(F)ccc4OCCn4cc(nn4)CC3)n[nH]2)o1 952867863 UITKHVGCHAVSNS-XMMPIXPASA-N 606.659 2.747 0 50 KFAA O=C1COc2cc(cc(C(=O)N3CCC(O)CC3)c2)C(=O)N[C@H]2CN(Cc3cc(O)c4cccc(F)c4n3)C[C@@H]2Oc2ccc(cc2)CN1 1772713378 KQUHHMZKBZHQLW-CDZUIXILSA-N 669.710 2.747 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)Cc1c(C)nc(C)nc1O)CCCCNC2=O 1857706996 VPCSHMVACVUTPP-JGCGQSQUSA-N 676.771 2.960 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)CCCc4nc(-c5ccncc5)no4)C3)CN2C1=O 2100533408 NWMQUKCOPZXDIZ-CCWBYCOLSA-N 641.773 2.936 0 50 KFAA O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c1cccnc1)COC(=O)c1cccnc1)c1cccnc1 3831199 KUEUWHJGRZKESU-UHFFFAOYSA-N 556.531 2.981 0 50 KFAA in-man CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCOCCOc2ccccc2OCCOCC1 254568806 KMHDWUBIIWOOQM-JJBCFNDASA-N 668.788 2.768 0 50 KFAA COCCC[C@@]1(C(=O)N2CCN(c3cccc(OC)c3)C(=O)C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857696785 COZVQGFUGOVQFL-QNGWXLTQSA-N 682.778 2.814 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2nn(C)cc2Cl)CCNC(=O)COc2cc(ccc2OC)C1 1857702334 JJRVFUDRVNFWGM-PMERELPUSA-N 618.131 2.522 0 50 KFAA Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 1875351260 PKRFTFDCQQEZFW-INIZCTEOSA-N 505.453 2.683 0 50 KFAA Cc1cc(C(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]3(CCCc4ccccc43)C(=O)NCC2)no1 2356133752 BFZJBGUBWYVNIC-GDLZYMKVSA-N 537.661 2.558 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc(N)nc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817956 VBNBFVMEGYMKHU-CPJSRVTESA-N 616.704 2.521 0 50 KFAA Cc1c(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@@H](CCc4ccccc4)C(=O)N[C@H](C)C(=O)N2C3)c(=O)n(-c2ccccc2)n1C 2100533816 GXXVIPCVOCMMKN-JVNMFLMFSA-N 626.802 2.940 0 50 KFAA CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 87496183 TYQXKHPOXXXCTP-CSLYCKPJSA-N 790.001 2.747 0 50 KFAA world Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)c1cc3c(s1)CCCCC3)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952857141 ONBLNJBPGWQXIP-PIKZIKFNSA-N 608.765 2.680 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc3c(c2)CCC3)CCNC1=O 952859370 TXHNWBCTMWYCII-HHHXNRCGSA-N 576.673 2.944 0 50 KFAA Cc1cc(C)n(Cc2ccc(C(=O)N3CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CCC3)cc2)n1 1704316578 VSFJZVIIOHGPKO-QMOBXOPCSA-N 671.843 2.664 0 50 KFAA COc1ccc(/C=C/CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1 1704317901 KMYCAYWJBUCWOH-LOZBMKSASA-N 731.920 2.803 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)Cc3cn(C)c4ccccc34)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322628 KNRFNGQPMWNCAW-YKTXNGGMSA-N 688.870 2.963 0 50 KFAA COCCN1CC(=O)NCCN(C(=O)c2c(-c3ccccc3)noc2C)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857740396 HTIIWFULQHYGGV-SANMLTNESA-N 661.804 2.866 0 50 KFAA COc1ccc2cc1OCCCN(Cc1cn(-c3ccccc3)nn1)CC(=O)N[C@H]1CN(C(=O)Cc3cccnc3)C[C@H]21 1940193598 JKWCTODAYYHLJG-IZLXSDGUSA-N 581.677 2.609 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2ccc3ncccc3c2)C1 14536684 XPUGMYLJWSZFRC-VWLOTQADSA-N 518.614 2.982 0 50 KFAA CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)NCCN1C(=O)C=CC1=O)C(C)(C)C[C@H]3C 100079946 CUWXBTJMNRLPKT-QGZVFWFLSA-N 523.586 2.883 0 50 KFAA in-vitro CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21 100838322 XIZHWNBLBIHWKQ-ULWNEYHBSA-N 575.643 2.859 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)CCc3cnn(C)c3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952863425 JAZJQQNWZOVRHV-WUFINQPMSA-N 559.667 2.852 0 50 KFAA COc1ccc(C[C@](C)(CO)NS(=O)(=O)c2ccc(N3CCc4nccnc4C3)c(Cl)c2)cc1 2325822987 ARWHBKLDQGBJLR-XMMPIXPASA-N 503.024 2.973 0 50 KFAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC[C@H](C)NC(=N)N)C(=O)O 253487039 DARRDGIZJNTTDK-HSKZMMKSSA-N 940.109 2.537 0 50 KFAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cn[nH]c3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952857442 UDYZONKPCLXRQS-IGKIAQTJSA-N 559.623 2.674 0 50 KFAA COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)c(OC)c1 952862641 CRQYWRHIEXHBTG-PMERELPUSA-N 670.767 2.858 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCCc1nc(-c3ccncc3)no1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713690 OQUJYIVWYMAUQW-YDYNHKSESA-N 698.829 2.724 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CCNC(=O)COc2cc(ccc2OC)C1 1857701871 WHSKJGQDAUENID-UMSFTDKQSA-N 646.745 2.920 0 50 KFAA CC[C@H]1Cc2ccccc2CN1C(=O)C1CCN(S(=O)(=O)NC(=O)CSCc2cscn2)CC1 1875342497 USBBAGUSAMSBSZ-NRFANRHFSA-N 522.718 2.813 0 50 KFAA CC(C)(C)c1ccc(S(=O)(=O)NNC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 20468241 HDIFVSAQHSQIOV-UHFFFAOYSA-N 520.662 2.755 0 50 KFAA CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(I)cc3)N(CC(=O)OC)C2=S)cc1 59738361 GFXOIOXPRYBJAM-GOSISDBHSA-N 595.415 2.972 0 50 KFAA CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 169619698 TYQXKHPOXXXCTP-CDMWIMKNSA-N 790.001 2.747 0 50 KFAA biogenic CC(C)=CC/C=C(\C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H](O)C[C@H]1[C@]3(C)CC[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C 263617361 NJUXRKMKOFXMRX-XWBRAAMQSA-N 767.010 2.954 0 50 KFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1cccc(Cn2cccn2)c1 1857710549 CSFFBKAITRBXOI-BJKOFHAPSA-N 501.587 2.542 0 50 KFAA Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]1 4917371 WZRBAVDJTYIQBI-VHENIMGFSA-N 595.568 2.907 0 50 KFAA in-vitro COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3cccc(F)c3)C2)nn1 12218646 REDJGEOOTBEMPE-UPVQGACJSA-N 510.545 2.507 0 50 KFAA CCOP(=O)(OCC)[C@]1(C)[C@H](COC(=O)NCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC=[N+]1[O-] 97972497 UAQUUBGIOJZAFO-GUFSWRQHSA-N 591.668 2.528 0 50 KFAA in-vitro COc1ccc([C@H](CC(=O)NC2CCN(c3ncccn3)CC2)c2c(O)n3ccccc3nc2=O)cc1 1776111669 KRWLKNUMMGDWKG-NRFANRHFSA-N 500.559 2.506 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)CCc1nc(-c3ccncc3)no1)CCCNC2=O 2356140151 WIHFMHAUBNHQKF-LJAQVGFWSA-N 645.721 2.527 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 657129 CNJMPIHGCHPINK-MFUBYVTQSA-N 524.595 2.920 0 50 KFAA COc1cc(OC)c(NC(=O)c2sc3ncn(CC(=O)N4CCOCC4)c(=O)c3c2C)cc1Cl 2912143 SETFLKYGDHDFDJ-UHFFFAOYSA-N 506.968 2.548 0 50 KFAA CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 14154659 LJQGMAFKSQPSQP-UHFFFAOYSA-N 526.011 2.853 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CCCNC(=O)C2)NC1=O 952857206 RAJJYAOEHWTWJD-YPKYBTACSA-N 671.770 2.808 0 50 KFAA Cc1ccn(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1 952863634 BMLFZCNFRQPEIR-RRPNLBNLSA-N 545.640 2.691 0 50 KFAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)c1csc(-c3cccs3)n1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952869322 OWWWIGYFFHRASQ-CLOONOSVSA-N 623.761 2.535 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCN2CCCCC2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817105 HEJUBKAKWAFWMF-DWACAAAGSA-N 649.774 2.633 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cc2cn3ccsc3n2)CCNC(=O)COc2cc(ccc2OC)C1 1857706547 KSQKCEMHODSPAS-YTTGMZPUSA-N 639.775 2.773 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(Cc2ccncc2)CCCNC(=O)COc2ccc(cc2)C1 1857708568 APWVETOBHDWXSZ-PMERELPUSA-N 554.688 2.507 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(S(=O)(=O)Cc1ccc(F)cc1)CCCNC2=O 2100533393 NEMMGJDULLJVLL-QFIPXVFZSA-N 547.697 2.788 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)c3cc(C)n(C)c3C)C[C@@H]1NC2=O 2356160258 KIMJBLSVRMVWBV-LOSJGSFVSA-N 564.614 2.890 0 50 KFAA CN(C[C@H](O)c1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 11963901 RVLKNOLNKFJFFE-DEOSSOPVSA-N 501.587 2.588 0 50 KFAA COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)COc1c(F)cccc1F 139148074 ZZIXRXQNWVEGPY-URXFXBBRSA-N 527.524 2.963 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4C[C@@H](O)[C@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 263586578 VXHVFDQYSSFKAR-ZNSNACMWSA-N 622.840 2.900 0 50 KFAA CN(C)C(=O)c1cncc(N2CC[C@@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@@H]3C2)n1 1615703575 KKDHFKJLUAMFDJ-SXOMAYOGSA-N 572.666 2.656 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCCO3)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857707400 QTEKUMLGIJHXKB-WMVJKMFWSA-N 695.777 2.584 0 50 KFAA O=C1CN(C(=O)C2CCN(c3nc4ccc(Cl)cc4o3)CC2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857740525 REHOHIOVKLKENB-NDEPHWFRSA-N 691.189 2.696 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N1C[C@@H](NC(=O)CCCn3cncn3)C[C@H]1C(=O)NCc1nc-2oc1C 2356135635 NIZKSFYNCDQIKB-UPVQGACJSA-N 629.674 2.877 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 1195571 AAEPTFHTHHQVCA-BYHQVZLYSA-N 543.395 2.995 0 50 KFAA Cn1c2ccc(Br)cc2c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nc21 2751063 BARWPCZVADVFQP-UHFFFAOYSA-N 507.395 2.657 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 6353883 UYLHRLFVRJFZHM-WQLLJXGDSA-N 544.427 2.973 0 50 KFAA C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 103253204 NHTKGYOMICWFQZ-BBOXMAMFSA-N 580.481 2.644 0 50 KFAA CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 247908620 TYQXKHPOXXXCTP-HORKAUTCSA-N 790.001 2.747 0 50 KFAA COc1cccc2c1OCc1cn(nn1)CCCOc1cc(C)ccc1C(=O)NCC[C@H]1CN(CCO1)C2 1704322062 DUGIGCDUDLFBOI-QHCPKHFHSA-N 521.618 2.978 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)COc1ccc(F)c(Cl)c1)CCCNC(=O)[C@@H](C)NC2=O 1704322366 NKKKQUUVSQWHDJ-LJQANCHMSA-N 587.052 2.894 0 50 KFAA Cn1c(=O)oc2ccc(S(=O)(=O)N3CCCOc4cccc(c4)CC[C@H]4CCCCN4C(=O)C3)cc21 1857703355 JHIQNIVBHCZDOU-HXUWFJFHSA-N 513.616 2.919 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(Cc2nccn2C)CCNC(=O)COc2ccc(cc2OC)C1 1857713657 BFRVXPGMPJUYIB-WJOKGBTCSA-N 585.746 2.864 0 50 KFAA COc1nc2c(cc1CN1CCCNC(=O)CC[C@@H](c3ccccc3)CCNC(=O)C1)C(=O)N(C(C)C)C2 1875239996 COACWOCECOWMAT-JOCHJYFZSA-N 521.662 2.847 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)Cc1csc(C)n1 2100533352 LGGPAFCODXMVBG-FCHUYYIVSA-N 528.675 2.572 0 50 KFAA Cc1c(NC(=O)Cc2noc(C[C@@H]3CSc4ccccc4NC3=O)n2)c(=O)n(-c2ccccc2)n1C 2325850942 LSBBUEOVSAPIOQ-MRXNPFEDSA-N 504.572 2.952 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N1C[C@@H](NC(=O)C3CCS(=O)(=O)CC3)C[C@H]1C(=O)NCc1nc-2oc1C 2356136941 CILYXVSTEREZHO-UPVQGACJSA-N 652.726 2.629 0 50 KFAA COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NCCC(=O)O)cc(OC)c1OC 2957694 TYSBMPOGXLMVQG-MHWRWJLKSA-N 507.337 2.837 0 50 KFAA CCOc1cc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc(Br)c1OCC(=O)N1CCOCC1 15230434 PRJBAKNRODMVPF-GASCZTMLSA-N 501.443 2.870 0 50 KFAA COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(I)c(OCCO)c(OC)c1 59608271 ZGFYQVWJEAZPRB-IBGZPJMESA-N 597.431 2.889 0 50 KFAA CCOC(=O)c1cnc(O)c([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)c1O 253496453 CJWSPJLKEPQUDL-MRXNPFEDSA-N 508.483 2.965 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3scc4c3CCCC4)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704318665 PJNAFNUKNRYJSJ-CPJSRVTESA-N 568.740 2.952 0 50 KFAA O=C(N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1)c1nc(=NCc2ccco2)[nH]cc1Br 1875350892 DPWCJRXAPXIGHS-CQSZACIVSA-N 507.711 2.691 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4cccnc4)C3)CN2C1=O 2100533338 KWSHRDUICMINLS-LFOFZZIDSA-N 517.674 2.537 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)[C@H]2SC1 8927959 CFYQMHLNBLPBJT-XMSQKQJNSA-N 520.947 2.736 0 50 KFAA COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)[C@@H](O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2O)cc1 163740300 LCONRKMFLXPTDC-JDWOTINSSA-N 655.708 2.746 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCCn3cccn3)C[C@@H]2Oc2ccc(cc2)CN1 1772703088 CGIOQOGYLKDKEA-NSOVKSMOSA-N 573.650 2.549 0 50 KFAA COc1ccc(C[C@H](N)C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cc1 1772817256 AAHXJDDBCUJWBC-QEMZJVQQSA-N 673.796 2.809 0 50 KFAA COc1ccc(-c2coc3cc(O[C@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 2080902317 XHCIZLWHEPIQDR-HQNPHDNZSA-N 656.593 2.856 0 50 KFAA Cc1nc(C)c(C(=O)N2CCCOc3cccc4c3OC[C@@]3(CNC(=O)C2)CN(C(=O)Cc2cccnc2)C[C@@H]43)s1 2100534000 OWFIPBWXQYVPQW-YUDQIZAISA-N 575.691 2.743 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)C(C)C)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857703126 USHPQLWKMTZDSF-RCRUUEGKSA-N 653.777 2.766 0 50 KFAA CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl 12414074 YMRKVWNYJNPRBS-UHFFFAOYSA-N 500.404 2.687 0 50 KFAA CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@H]1CCS(=O)(=O)C1 253405260 IEQOFAWBOMLEAK-HMCRMKSESA-N 615.749 2.993 0 50 KFAA biogenic CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253487665 NSYZCCDSJNWWJL-QXTNJGPFSA-N 862.064 2.680 0 50 KFAA biogenic CCn1cc(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)cn1 1772703861 QPPFOHWQBWGXJX-SFDJXPEFSA-N 743.906 2.647 0 50 KFAA COc1c2c(c(CNC(=O)C[C@@H](c3ccc4c(c3)OCO4)c3c(O)n4ccccc4nc3=O)c3c1OCO3)CCN(C)C2 1857526708 URMDOIIXROFZJM-IBGZPJMESA-N 586.601 2.692 0 50 KFAA O=C(N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1)c1cncc(-n2cc(CN3CCCC3=O)nn2)c1 2325853465 QHDSHRUQNORXJN-JOCHJYFZSA-N 541.534 2.897 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N[C@]4(c5cccc(OC(F)F)c5)CCCOC4)ccc3C2=O)C(=O)N1 2325901358 ANMMUYYVMUDVKK-RXFWQSSRSA-N 528.512 2.876 0 50 KFAA COc1ccc2c(ccn2CCNC(=O)[C@@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)c1 225420620 COWJGRZBLKVRGD-DYRZZGSRSA-N 505.619 2.781 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)c3cnc(C)[nH]3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857421 NAPTZQAOHFBHBG-UIOOFZCWSA-N 531.613 2.831 0 50 KFAA CC[C@H](N)C(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)C1 2084376143 AOEFGBRENHYOHM-ROKPMTFOSA-N 611.794 2.826 0 50 KFAA COc1nc(C(=O)N2CCCCN(C(=O)[C@@H]3CC(=O)N(CC(C)C)C3)CCOc3cccc(c3)-c3nccn3CCC2)nn1C 2356134412 LWXSJJWBJJKCOO-RUZDIDTESA-N 620.755 2.725 0 50 KFAA COc1cc(CCN2C(=O)c3cccc4cccc(c34)C2=O)c(S(=O)(=O)N2CCN(C)CC2)cc1OC 36006854 FLCHVQUUVZENCS-UHFFFAOYSA-N 523.611 2.632 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2csc3ccccc23)C[C@H](Cc2ccccc2)NC1=O 1704323576 VSZNREANGICVLD-WCCOWCBDSA-N 617.772 2.721 0 50 KFAA C[C@@H](O)[C@@H]1NC(=O)CN(C(=O)c2cc(-c3ccccc3)no2)CCCOc2cccc(c2)-c2nccn2CCCNC1=O 2100533837 HPRWOTFJHLTWOH-PIKZIKFNSA-N 586.649 2.502 0 50 KFAA CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCC(=O)OC 253405904 IOETUSYKVJVIES-PQXCKQOFSA-N 569.655 2.979 0 50 KFAA biogenic COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(CC(C)C)no3)C[C@@H]1NC2=O 1704322142 IEZOPPOLKQTKON-NVQXNPDNSA-N 548.596 2.592 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)[C@@H]2CCCNC2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704322491 ISNQZLTWJWVGIG-SQHAQQRYSA-N 608.143 2.590 0 50 KFAA Cc1ccc(S(=O)(=O)NC[C@H](F)C2CCC2)c(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 1875350681 XAKZAGICBJGWOJ-HNNXBMFYSA-N 502.556 2.532 0 50 KFAA Cc1cccc(S(=O)(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)c1 2356138703 FTVBQIINJWUUNS-YGZVCBRSSA-N 522.671 2.622 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3ccc4c(c3)CCCO4)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160512 VUZHJMGSMMQHKS-WNJJXGMVSA-N 587.629 2.739 0 50 KFAA CCOCc1nc(C)cc(N(S(=O)(=O)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)n1 2865842 FDMMDDNIKBEULC-UHFFFAOYSA-N 561.642 2.823 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2csc(C(C)=O)c2)C1 14744128 ZRZAAWHOFKEKAK-QFIPXVFZSA-N 515.632 2.698 0 50 KFAA CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CCN(S(C)(=O)=O)CC1 253400045 DPNKSVAIZKHWJU-CHNYNYQGSA-N 644.791 2.793 0 50 KFAA biogenic COc1cc([C@@H]2C3=C(O)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)[C@@H](C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O 888088515 DGZDVTZNWZYDJB-RKKJYCAKSA-N 667.071 2.711 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCCn1ccnc1C(C)C)C2 1857704734 DCTGJMQLUNTRET-YTTGMZPUSA-N 596.773 2.545 0 50 KFAA CCCc1nc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)cs1 1875240136 JKRULBBYZGNLRL-GGZJYHEGSA-N 507.660 2.784 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)C3CCN(C(=O)c4ccncc4)CC3)C[C@@H]1NC2=O 2356161266 NFBGDDNMXNMDQZ-WUFINQPMSA-N 645.688 2.569 0 50 KFAA COC(=O)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(I)cc1 1185402 ZHYMSZLEEQZWLC-MRXNPFEDSA-N 523.352 2.795 0 50 KFAA COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC 84638100 CGWOIDCAGBKOQL-FQEVSTJZSA-N 522.606 2.971 0 50 KFAA in-vivo CCC(=O)O[C@@H]1[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 247908646 TYQXKHPOXXXCTP-ROBYXJEISA-N 790.001 2.747 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCC1CC1)CCCCNC2=O 1857703581 NNPZENFPSKDKCP-SKUKJQFRSA-N 709.841 2.661 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801063 MJRFCSQUAHKKFK-UADDYFSRSA-N 626.567 2.693 0 50 KFAA O=C(CSc1nc2ccc(I)cc2c(=O)n1-c1ccccc1)N1CCOCC1 1068812 QIKPMQOROZPULY-UHFFFAOYSA-N 507.353 2.941 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3nn[nH]n3)c(=O)cc1[C@H](NC(C)=O)CC2 409413138 ADHMNORVDPKUGL-HXUWFJFHSA-N 565.631 2.987 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321681 VGUDMHVEZRUVAD-GBWKFYOGSA-N 770.928 2.536 0 50 KFAA CN(c1ccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1)S(C)(=O)=O 1772706763 RIUJFWIOMKWQIV-KYJUHHDHSA-N 648.738 2.582 0 50 KFAA O=C(CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1)c1ccc(F)cc1 59608564 PQSJTGDXRIEEKS-UHFFFAOYSA-N 522.605 2.925 0 50 KFAA COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225415079 KGVVIKQKTALVIT-CBQOVEMMSA-N 594.617 2.764 0 50 KFAA biogenic CC(C)c1ccc(CC(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)C2)cc1 1704321303 IARGPEIVZWTTFH-BVKJBRQFSA-N 706.844 2.728 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)C(C)(C)OC)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772713453 MMPZJBWOEIDTAX-NRFANRHFSA-N 525.602 2.700 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cnn3cc(C)ccc13)CCCCNC2=O 1857699042 FXTTZRYULIZGTD-NLPVGWCVSA-N 771.872 2.741 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(S(=O)(=O)c1cc(C)c(C)cc1OC)CCCCNC2=O 1857704164 GQNOHDSMRHJXEY-AUMPDRJASA-N 811.955 2.959 0 50 KFAA NS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)C1=O 2325879391 TZLNWPJAKYYUNA-RBBRLNBQSA-N 571.606 2.687 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cc(C3CC3)no1)CCCNC2=O 2356137593 QSIRSWXJWNFWAH-SANMLTNESA-N 579.658 2.629 0 50 KFAA CC1(C)O[C@@H]2[C@@H](COCc3ccc(C#N)cc3)O[C@@H](n3c(Br)nc4c(N)ncnc43)[C@@H]2O1 59241215 XSPCSNCZRVWYLT-NVQRDWNXSA-N 501.341 2.677 0 50 KFAA CC[C@H](O)[C@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@@H]1C 255990216 NMIWBQUQCOMGHJ-ZEXGRRGMSA-N 715.922 2.892 0 50 KFAA CCn1cc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)cn1 1704323481 XIXDWHQCLDGPMU-SDDUWZMOSA-N 657.816 2.832 0 50 KFAA COc1cc2ccc1OCCCN(C(=O)CCNS(C)(=O)=O)CCCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCc1nc-2oc1C 1775982987 QMNCRYCKPXLNOX-MHZLTWQESA-N 694.811 2.814 0 50 KFAA Cc1ccc(S(=O)(=O)NC[C@@H](F)C2CCC2)c(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 1875350682 XAKZAGICBJGWOJ-OAHLLOKOSA-N 502.556 2.532 0 50 KFAA OCCNC[C@@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 59829334 WVCGLIADJWJXJT-CYBMUJFWSA-N 536.151 2.947 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1OC 263584958 CLACISQCFYXVJN-XSARVHFWSA-N 517.667 2.971 0 50 KFAA biogenic Cc1ccnn1CCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952862024 FHCAXDOPQGCBLQ-KYJUHHDHSA-N 603.720 2.834 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCn3ccc(C)n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704334341 HZMSDLPIGAMKIE-FGMAMLAKSA-N 826.012 2.545 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCCc3cn[nH]c3)C[C@@H]2Oc2ccc(cc2)CN1 1772818204 PHBPLRBTAPLRGL-NSOVKSMOSA-N 573.650 2.618 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2nsnc2C)CCNC(=O)COc2ccc(cc2OC)C1 1857703265 OVGJDSZNEJDZSX-PMERELPUSA-N 617.769 2.931 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)Cc2cccnc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857741008 XREOCVWWTXOADE-AZGAKELHSA-N 613.675 2.617 0 50 KFAA CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 8607831 IZOILJZDPMFDPL-UHFFFAOYSA-N 502.637 2.558 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952865970 YZXIPGHFOBOSET-VMPREFPWSA-N 601.708 2.642 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)Cc2nc(-c3ccccc3)oc2C)CCNC(=O)COc2cccc(c2)C1 1857696482 CJBXMRBIQHYSCV-UMSFTDKQSA-N 634.730 2.865 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940194855 XPWKSPMMAIFUGD-SANMLTNESA-N 582.661 2.722 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 625770 BRPGXOOVRBWRMI-YMSBRDKKSA-N 522.579 2.741 0 50 KFAA CN1CCN(CC(=O)N2CCCCN(C(=O)[C@@H]3C[C@@H]4CC[C@H]3O4)CCCOc3cccc(c3)-c3nccn3CC2)C1=O 2356134677 XRMKFAGQZAVXGQ-OYUWMTPXSA-N 578.714 2.705 0 50 KFAA Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]1 100056116 WZRBAVDJTYIQBI-VBHAUSMQSA-N 595.568 2.907 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)CCCN3CCCC3=O)CC(=O)N1CC2 1704322937 MFIHYVXSPSYZCI-WJOKGBTCSA-N 565.667 2.818 0 50 KFAA Cc1cc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)nc(C)n1 1704323813 YVIZTNBWTZAIJH-TZGFWJGCSA-N 601.752 2.962 0 50 KFAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)c1C 1772714468 RXYXYWLHCQMDIY-VIZCGCQYSA-N 646.793 2.717 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)c1cnc3cccnn13)CCNC(=O)CC2 1875241620 URXXLKGOIHPMKW-DEOSSOPVSA-N 598.660 2.948 0 50 KFAA CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccc(NC(=O)[C@H]3Cc4ccccc4O3)c1)CC2 2325875706 ZZLDHTGRSJARNF-AVRWGWEMSA-N 501.587 2.956 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 1187610 FAWHPJJGXZYBIM-QHVUTBCBSA-N 517.357 2.883 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cccc(C)c3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321693 VYMRSPDSRGOCOA-QVDUQQMDSA-N 635.806 2.672 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817957 VBULUUQPXHARTD-ZIUFOHNRSA-N 819.978 2.750 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)CCc1c(C)nn(C)c1C)CCNC2=O 1875242053 LMWOKVJEBOBLBW-JOCHJYFZSA-N 628.734 2.765 0 50 KFAA COc1ccc2cc1OCCN(C(=O)C1CCOCC1)CCCNC(=O)[C@H]1CN(C(=O)c3cccn4cc(C)nc34)C[C@H]21 1875242297 RGLMZDRPOZCKQK-FTJBHMTQSA-N 589.693 2.661 0 50 KFAA NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)CC1 4574478 MLCKTFAWVBBAKF-UHFFFAOYSA-N 505.648 2.754 0 50 KFAA CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21 100043616 ZTOJFFHGPLIVKC-CLFAGFIQSA-N 514.632 2.669 0 50 KFAA in-vitro CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(I)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 100594963 YCJBTKVNZWXPLH-SCFJZMLDSA-N 564.357 2.725 0 50 KFAA CCCNc1ncc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cn1 952865948 YLSPDWFUBAXJOF-GMAHTHKFSA-N 527.029 2.526 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)C1CCN(C(C)=O)CC1)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704329000 QWDOCBMXVBGMMP-DSNGMDLFSA-N 526.678 2.597 0 50 KFAA COc1cc(Cl)cc(C(=O)N2CCCNC(=O)[C@@H](C)NC(=O)c3ccc(C)cc3OCCCn3cc(nn3)C2)c1 1704336282 KLKDIAZJFBZIMZ-LJQANCHMSA-N 569.062 2.998 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc(Cl)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714554 WXBFXOMTDXLBIP-UHSQPCAPSA-N 658.225 2.772 0 50 KFAA O=C1NCCCN(C(=O)c2cscn2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 1875242453 UCTUOHUKYDNQKJ-YADHBBJMSA-N 548.621 2.769 0 50 KFAA Cc1sc2ncn(CC(=O)N(C)c3cccc(C(F)(F)F)c3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 8592902 GTCHBXBSSSZGEO-UHFFFAOYSA-N 607.640 2.749 0 50 KFAA Cc1noc(C)c1CC(=O)N1CC[C@]23C(=O)N(CC(=O)NCCCOc4cccc(c4)[C@H]12)c1ccccc13 952856331 YRIJODVBOHBQSQ-LMSSTIIKSA-N 514.582 2.991 0 50 KFAA COc1ccc(C(=O)N2CCCCNC(=O)[C@]3(CCCc4ccccc43)NC(=O)CN(CCC(C)C)C(=O)C2)cn1 2356135245 VSFYOKYDPFYFDJ-WJOKGBTCSA-N 563.699 2.665 0 50 KFAA CCCCC/C=C/C/C=C/C=C/C=C/[C@H](SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O 169692094 GWNVDXQDILPJIG-LAQPPMHDSA-N 625.785 2.777 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccccc3-n3cnnc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321751 YCZLSQVXYFOUSU-CRCCXPSHSA-N 861.017 2.844 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cnc(O)c(Cl)c3)C[C@@H]2Oc2ccc(cc2)CN1 1772713542 OZZQUHCMMXCBPC-UIOOFZCWSA-N 593.036 2.940 0 50 KFAA CCc1c(C)cc(C(=O)N2CCCCNC(=O)[C@]3(CCCc4ccccc43)NC(=O)CN(CCC(C)C)C(=O)C2)c(=O)n1C 2356137315 JWKWVDHFYRMRFG-UUWRZZSWSA-N 605.780 2.831 0 50 KFAA Cc1cc(C)n(CCNC(=O)C2CCN(c3cccc4c3C(=O)N(C[C@@H]3COc5ccccc5O3)C4=O)CC2)n1 12205703 GFPRKJQTQFZYEW-JOCHJYFZSA-N 543.624 2.969 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)N(C/C=C/c3ccccc3OC)C2)nn1 299784147 ONIQCKOBJXKJPR-DQUUYOLTSA-N 536.677 2.783 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCc2ccnn2C)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817534 OIKUFKIPJATVTK-CUNXSJBXSA-N 632.747 2.597 0 50 KFAA CCc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)[nH]1 952856551 MNTCHJOVEYOQCX-NDEPHWFRSA-N 613.719 2.802 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc4ncsc4c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321951 FITGXTGRCXHSNP-OZBXUNDUSA-N 664.829 2.665 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)Cc3cccs3)C[C@H]2C(=O)N1 1704323450 PGWYPJZUYMOIGD-OKNHJDIWSA-N 653.846 2.667 0 50 KFAA COCCC[C@]1(C(=O)NCc2ccncc2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705860 YVLRLJXGCSRPBV-JGCGQSQUSA-N 584.677 2.642 0 50 KFAA Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)N(C)C[C@@H](O)c4ccccc4)CC3)c2C1=O 11909136 DTGCCZMVFYESJL-RUZDIDTESA-N 515.614 2.933 0 50 KFAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O 229926048 XDLBSNLAIQNWON-NWSQTLSESA-N 697.612 2.893 0 50 KFAA CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@]1(C)[C@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 244692015 JMXRYIGHKWRUFH-QYIURINHSA-N 586.553 2.524 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2sccc2Cl)CCN(C)C(=O)[C@@H](C)NC1=O 1704321493 QSYDDGAPWHTHLX-QEUIGEMPSA-N 730.313 2.636 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3c(Cl)cnn3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713834 UCFPFZNBBPHPMG-MVZBJVRXSA-N 764.324 2.817 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)C[C@@H]1CCC(=O)N1)CCCC(=O)N[C@H]2Cc1ccccc1 1772817841 UBDVFJHFJVIBFZ-LXWOLXCRSA-N 663.801 2.988 0 50 KFAA Cc1ccn2c(F)c(C(=O)N3CCCNC(=O)[C@@H]4C[C@@H]5CCCN5[C@@]45C(=O)N(CCC3)c3ccccc35)nc2c1 2356134957 KDXXYPLXMVFOBI-LPYGGDLBSA-N 544.631 2.860 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 8920544 NIXGMQSLNNQCRH-XOYGFPHKSA-N 520.563 2.510 0 50 KFAA CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC(C)=O)c(OC)c1)C(C(=O)OC)=C(C)N=2 16700137 DNIUHKNOSXBILM-MGSPXPDISA-N 522.579 2.741 0 50 KFAA CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O 85537017 PAEBIVWUMLRPSK-IDTAVKCVSA-N 776.366 2.851 0 50 KFAA fda COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(Cc3cnc(N(C)C)nc3)C[C@@H]1OCc1cccc(c1)O2 952868973 FQFALQNYNUBHTO-VMPREFPWSA-N 619.723 2.562 0 50 KFAA CCOCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3OC)CCC(=O)N(CCCOC)CC(=O)N[C@@H]2C1 1616108561 FJEKXTITDUXWBG-SXOMAYOGSA-N 597.709 2.938 0 50 KFAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2cccc(-c3ccccc3)c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857702817 DHQMEAQTGQVLHK-OLFOKHSRSA-N 701.784 2.816 0 50 KFAA NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3CC2)cc1 1857703620 PJVKCOKQZRJUNV-OAQYLSRUSA-N 507.678 2.595 0 50 KFAA Nc1ccccc1C(=O)NCCc1cn([C@H]2C[C@H]3CC[C@@]2(NC(=O)c2ccc(-n4ccnc4)cc2)C3)nn1 2325849217 IVXPZQUUCDZLML-OKMGNEIESA-N 510.602 2.932 0 50 KFAA CC(C)(NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)c1cn([C@H]2CCCc3cccnc32)nn1 2325853447 PTWMYNCSFQYRMJ-SFHVURJKSA-N 525.566 2.760 0 50 KFAA COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O 1490807 DRZXDZYWZSKFDL-UHFFFAOYSA-N 556.641 2.872 0 50 KFAA biogenic,investigational CCOC(=O)c1oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 253387510 CONXBBMDYHPWGK-BOHJXWMZSA-N 698.630 2.870 0 50 KFAA biogenic COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCc1c(C)nn(C)c1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857510 JENACWUWOMHVPJ-PMERELPUSA-N 656.788 2.581 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CCC2CCC2)CCNC1=O 952862850 RKJRFMHCVWBLKU-XMMPIXPASA-N 542.656 2.722 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CCn3nccc3C)C[C@@H]1NC(=O)CN(C)C2=O 952863444 AUVWMQHBILVGPG-AHWVRZQESA-N 531.613 2.680 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817821 SLIOXSYLLYBNDI-BTEQVPEFSA-N 660.864 2.972 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccc[nH]2)CC1=O 2356138715 QKHJSWSGSBUZOG-GDLZYMKVSA-N 521.662 2.590 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(Cc3cc(F)cc(F)c3)CC2)C(=O)N[C@H]1Cc1ccccc1 952864871 NBFGGOSQLYOIEG-VWLOTQADSA-N 522.600 2.629 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 952866076 ZBLNJNWUUOTFPF-RRPNLBNLSA-N 594.709 2.564 0 50 KFAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CNCC(=O)N[C@H]2C(C)C 2356134181 CCPJBICDUWLBJG-FPDPHYFHSA-N 524.647 2.688 0 50 KFAA COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 105258985 IXCARTVRIQMLNJ-OAQYLSRUSA-N 547.516 2.922 0 50 KFAA CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@@H]21 253487073 DIKARTHLYAVYHG-JNQAEVQISA-N 614.607 2.701 0 50 KFAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704324381 NQZILDCMZNCRAJ-HZJCUELXSA-N 759.974 2.592 0 50 KFAA C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1 103253202 NHTKGYOMICWFQZ-LHFSRKHSSA-N 580.481 2.644 0 50 KFAA NS(=O)(=O)c1ccc(N[C@@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1 114078973 WDHCLDUKGHLEOU-INIZCTEOSA-N 553.650 2.923 0 50 KFAA CCOC(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c2ccccc21 248289401 JFSACOGEXOVPMC-VOFKYMGDSA-N 528.030 2.976 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)C3CCN(C(C)=O)CC3)CC(=O)N1CC2 1704321292 HIIWJFXTJHDGJI-PMERELPUSA-N 565.667 2.674 0 50 KFAA COc1c(Cl)cc(Cl)cc1C(=O)N1CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C1 1704324133 XPWLBVYNYBHPBP-MHLBRMAYSA-N 765.761 2.573 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cc2ccncc2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704339467 HXGWHVICWSPQSY-CKRJFLOXSA-N 684.838 2.948 0 50 KFAA COc1cccc(-c2ncc(CN3C[C@@H]4NC(=O)c5cc(cc(C(=O)NCCO)c5)OCC(=O)NCc5ccc(cc5)O[C@H]4C3)s2)c1 1772713906 UTZKWHINMVFAPD-KYJUHHDHSA-N 657.749 2.611 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)CCCn3nnc(-c4ccc(F)cc4)n3)C[C@@H]1NC2=O 2356160297 LQMQHLYUQAWGFV-RRPNLBNLSA-N 643.676 2.755 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 1197330 MISNCYATPVFDOG-GSOQPGDSSA-N 508.552 2.544 0 50 KFAA COc1ccc(CCN2C(=O)[C@@]3(Cc4c(nc5ccccn5c4=O)N4CCc5ccccc5[C@H]43)C(=O)N=C2O)cc1OC 230004129 KWGCUAKWNZIRQR-XYFQYJLHSA-N 579.613 2.884 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253413797 VRVFUHHBLAIXQI-LVWPNOBMSA-N 587.695 2.986 0 50 KFAA biogenic COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cnc(N3CCOCC3)s1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857548 JXUOZUQJWIRMCN-LJAQVGFWSA-N 674.828 2.565 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3nn(C)c(C)c3Cl)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319270 UIQVAMYURDIOQY-NYHWNOQPSA-N 846.430 2.959 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3ncsc3c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321678 VDCFILIHWYQRCC-AREMUKBSSA-N 576.679 2.960 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cnc(C)cn3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772700536 GJDJELOKMIDSNW-NGTAJDMZSA-N 741.890 2.529 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857525785 WSMQBJMPWPNLTJ-LULKAESMSA-N 742.639 2.698 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)N(C)C)CCCCN(C(=O)[C@@H]1COc3ccccc3O1)CCn1ccnc1-2 2356135237 VDQVSAIMTMTURD-NDEPHWFRSA-N 613.737 2.898 0 50 KFAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cccc4c3CCC4=O)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160454 SQRJSLRWJJFGOI-WNJJXGMVSA-N 585.613 2.543 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)N(Cc3ccc(OC)c(C)c3)C2)nn1 12212972 CNJFRGSSNYALBC-NOZRDPDXSA-N 518.618 2.546 0 50 KFAA CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 252441399 TYQXKHPOXXXCTP-IESYBVOSSA-N 790.001 2.747 0 50 KFAA CC(=O)c1cc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cs1 952865338 PGGRBKPDNXYJRN-DEOSSOPVSA-N 534.686 2.615 0 50 KFAA Cc1nc(C)c(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)s1 952865383 WTYXVYLSUQNZCD-JOCHJYFZSA-N 571.679 2.529 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cncn2C)CCNC(=O)c2csc1n2 1772713706 QTQSMKRGBKTDDU-SFTDATJTSA-N 618.720 2.668 0 50 KFAA O=C(COc1ccccc1CN=c1ccc(C(=O)N2CCOc3ccc(Br)cc3C2)n[nH]1)NC[C@@H]1CCCO1 1875360440 ACYRHJDYCMBUNO-QFIPXVFZSA-N 596.482 2.982 0 50 KFAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-n2cccn2)CN1C1CCN(CCc2ccccc2)CC1 12280100 PHEMDIODHYOAKH-HOFKKMOUSA-N 501.631 2.925 0 50 KFAA CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)C(=O)CS3)CC1 15895258 ODPKPXADMKKELP-PMACEKPBSA-N 522.737 2.925 0 50 KFAA CN(C)C(=O)c1cncc(N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n1 952862020 KKDHFKJLUAMFDJ-RRPNLBNLSA-N 572.666 2.656 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)Cc2cnc3c(C)cccn23)CCCNC(=O)COc2ccc(cc2)C1 1775982784 YHTGALMRAOCNND-UUWRZZSWSA-N 635.762 2.638 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)c2cc(-c3ccccn3)[nH]n2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1857741579 ZDPVDQTXMOSNMR-OAQYLSRUSA-N 560.703 2.993 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)Cc3ccsc3)C[C@@H]1NC2=O 2356162916 TXZHHWSAOFENCP-XZOQPEGZSA-N 535.622 2.786 0 50 KFAA CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)(C(C)C)C1 68207369 MCRWZBYTLVCCJJ-DKALBXGISA-N 511.589 2.873 0 50 KFAA CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]21 244692012 JMXRYIGHKWRUFH-DKUJCNHWSA-N 586.553 2.524 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@H]3CCS(=O)(=O)C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253412445 RAIQXJQXNGXAAS-JNMBUGSCSA-N 601.722 2.603 0 50 KFAA biogenic CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(Cl)cn2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1800430515 PKKNGRFJEOGGDM-SIBVEZHUSA-N 612.131 2.884 0 50 KFAA Cc1nc(CN2CCN(c3nc4ccccc4cc3S(=O)(=O)N(C)CCc3cnccn3)CC2)oc1C 1875350389 KTJAIQGPRNVCQN-UHFFFAOYSA-N 521.647 2.815 0 50 KFAA CN1CCN(S(=O)(=O)N2Cc3ccc(Cl)cc3[C@@H](C(=O)Nc3cncc4ccccc34)C2)CC1 2325821225 WLYDPPFRGDOGKP-QFIPXVFZSA-N 500.024 2.918 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cnn(-c3ccccc3OC)c1)CCCNC2=O 2356134948 JVTDDJNSRKQHEC-PMERELPUSA-N 644.733 2.958 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)c2csc(C(C)=O)c2)C1 14744129 ZRZAAWHOFKEKAK-JOCHJYFZSA-N 515.632 2.698 0 50 KFAA CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 28760056 VVBWBGOEAVGFTN-LPQIEKFGSA-N 520.707 2.944 0 50 KFAA biogenic,in-vitro COCCCN1CC(=O)N[C@H]2CNCC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952858035 ZTCYFTOAILTPMD-BJKOFHAPSA-N 511.619 2.662 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc3nn[nH]c3c2)CCCCNC(=O)[C@@H](C)NC1=O 1704321925 IMMIBCMZGSRMME-AVCZWDQHSA-N 680.810 2.887 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)Cc2cc[nH]n2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857699191 QWXDDCXNHKCKNQ-DEOSSOPVSA-N 608.671 2.846 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)C1CCOCC1)CCNC2=O 1857726111 XAYHJTUYEOBQPC-MUUNZHRXSA-N 604.708 2.845 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)NC4(Cc5ccc(F)cc5F)CCOCC4)ccc3C2=O)C(=O)N1 2325899114 OPZXMJAGWZHPQA-NRFANRHFSA-N 512.513 2.639 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)CN1CCN(c3cccc(C)c3)CC1)CCCNC2=O 2356136556 ZGJLTYIPTNZJQY-XIFFEERXSA-N 660.820 2.580 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccnc4ccccc34)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322570 JDVZXOZIFHLAJD-RYSHCBBCSA-N 658.800 2.603 0 50 KFAA CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCN2[C@H](C)CCC[C@H]2C)C(=O)CS3)CC1 8812327 ODPKPXADMKKELP-WOJBJXKFSA-N 522.737 2.925 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3cccc(O)c3)C2)nn1 15002651 ZTVKHHXZLTYWNM-NQIIRXRSSA-N 503.481 2.921 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 2058933 MRZDUUHSMSJREB-VFJWVMJUSA-N 503.580 2.544 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 25763020 JLPUHKTWXUMQGL-GVAUOCQISA-N 527.687 2.856 0 50 KFAA Cc1c(-c2cc3nnc(-c4nnc(NC(=O)c5ccccc5)s4)c(N)n3n2)c(=O)n(-c2ccccc2)n1C 221527018 QVXKDDXSAQCXFP-UHFFFAOYSA-N 524.570 2.942 0 50 KFAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]2N1 952867748 RCRHIUPFGUMUMB-YTMVLYRLSA-N 612.687 2.595 0 50 KFAA COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)c1ccc(C(C)(C)C)cc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952869513 UGOQVVVBCULHDT-DPPICBEFSA-N 739.874 2.685 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCn1c(C)nc3ccccc31)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704316980 FSPJAHZYSXSCNL-SSEXGKCCSA-N 601.708 2.785 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCCN3CCCCC3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772714116 AZCRCAVUVWRTSB-VMPREFPWSA-N 604.704 2.665 0 50 KFAA COc1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CNC(=O)c2ccc(C)c(c2)OCCNC(=O)C3)c2c1CCCC2 1857711112 HUMBTUNDLZEMPH-LEWJYISDSA-N 541.670 2.733 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1nn(C)c3ccccc13)CCCNC(=O)[C@H]1CN(C(=O)c3cscn3)C[C@H]21 1875241594 BWAJHBGEFHYYTE-YADHBBJMSA-N 588.690 2.935 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CC13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322598 MQURTEWARHTXIL-STJNCENASA-N 607.752 2.758 0 50 KFAA Cc1ocnc1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775983481 YSPGSFHFGBADCF-CVDCTZTESA-N 605.677 2.840 0 50 KFAA CCOC(=O)N[C@H](C(=O)c1ccc(C)cc1)N(Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1857800615 KLXHGCOWLGXDGD-RDPSFJRHSA-N 504.605 2.956 0 50 KFAA CC(C)CCC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@H](C)C(=O)N1C2 2100533877 JQNDGOFRFORRHE-PKSHOOMXSA-N 524.706 2.904 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccccc3C)C2)nn1 12161192 LBXRCGAYUMFMOS-NOZRDPDXSA-N 506.582 2.677 0 50 KFAA O=C(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 60292602 MPYUTOYNCCRZAC-DZWGLGNASA-N 556.527 2.742 0 50 KFAA COc1ccc2cc1OCCN(C(=O)C1CCN(C(C)=O)CC1)CCCNC(=O)[C@H]1CN(C(=O)c3cncc(Cl)c3)C[C@H]21 1875240665 WYBXSSMMKFWVJM-FTJBHMTQSA-N 612.127 2.585 0 50 KFAA COc1ccc([C@@H](CC(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)c2c(O)nc3ccccn3c2=O)cc1 2049512025 MCJFKFQHFLPIBV-OAQYLSRUSA-N 543.555 2.905 0 50 KFAA O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)C(=O)N1c1cccc(Cl)c1 22918373 UNKUQGPJSAFXHQ-WOJBJXKFSA-N 501.370 2.575 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)Cc1ccc3c(c1)OCO3)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775982548 RNGYVVBHMNRJQV-LJAQVGFWSA-N 592.649 2.998 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccncc2F)CCNC(=O)COc2cc(ccc2OC)C1 1857702916 IJYKAITZQNNXLL-HKBQPEDESA-N 598.672 2.669 0 50 KFAA Nc1ccc(S(=O)(=O)c2ccc(-n3c(=O)c4cc5c(=O)n(-c6ccc(S(=O)(=O)c7ccc(N)cc7)cc6)c(=O)c5cc4c3=O)cc2)cc1 150351370 MMTAUKOTYBTGJA-UHFFFAOYSA-N 678.704 2.721 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCC(C(=O)O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263585402 IEUFDJPGOUUPND-NRFANRHFSA-N 553.612 2.598 0 50 KFAA biogenic Cc1nc(CCC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)n[nH]1 952857354 SFMBMVQHCRLUGS-IZZNHLLZSA-N 560.655 2.545 0 50 KFAA CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21 100722096 ZQLIWUTYZGTHMZ-PIJNJCDPSA-N 613.648 2.974 0 50 KFAA N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 257355032 JUUZKZKBBSFAAT-CCNSRZQDSA-N 997.071 2.512 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cccc(OCCO)c1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952856247 URGVBPUFFYOPDQ-HKBQPEDESA-N 642.757 2.643 0 50 KFAA Cc1ccc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)s1 952864056 KVLQVYXRQFZEOG-DEOSSOPVSA-N 506.676 2.720 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(Cc2ccccn2)CCCNC1=O 1704317827 KHMUAOXGRRSABS-SANMLTNESA-N 551.717 2.824 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3cccc(Oc4ccccc4)c3)C[C@@H](CNC1=O)O2 1857697856 PICWRVQQZNCNLB-VWPRMMSESA-N 669.779 2.535 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)c1cn[nH]c1)CCNC(=O)CC2 1857726551 WTCDIMQKPOEUBZ-QHCPKHFHSA-N 547.612 2.629 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 706687 OLHWOCDKJXJGIT-GSOQPGDSSA-N 508.552 2.544 0 50 KFAA COc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(C)c1C 25763670 IOFMCETTZAVTLP-LJQANCHMSA-N 520.608 2.583 0 50 KFAA in-vitro O=C(Nc1c(F)cccc1F)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59895817 JXSLOQPVDBLORO-NRFANRHFSA-N 521.567 2.667 0 50 KFAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)c1cnc(Nc2ccccc2)nc1 1857708107 VLRNKGBPGYOEER-XZOQPEGZSA-N 514.586 2.831 0 50 KFAA CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@]23C)O1 256080195 PSOUXXNNRFNUAY-GNHDCRFKSA-N 654.882 2.507 0 50 KFAA 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)OC 263585839 NDVUUGAACUAZQE-GGYXIUMZSA-N 569.655 2.979 0 50 KFAA biogenic CN1CC(=O)N[C@@H]2CN(C(=O)CCn3cccn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616117369 BQVMLMLZOUELLF-SXOMAYOGSA-N 545.640 2.773 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cccnc2O)CCCCNC(=O)[C@@H](C)NC1=O 1704312708 WWSUWRGCAWLWEI-NRSKXHDUSA-N 656.784 2.716 0 50 KFAA CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@H]4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 245327376 PBUNVLRHZGSROC-QUCGRKRESA-N 577.726 2.521 0 50 KFAA in-vitro CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 247908633 TYQXKHPOXXXCTP-IHAIIRMGSA-N 790.001 2.747 0 50 KFAA CCOC(=O)c1oc2cc(O[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 253500739 SFBDPQSPXMSRAI-KMJCOBQKSA-N 647.611 2.555 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2ccc[nH]2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322991 RRELUKRVJVOZKX-SVIHCMKNSA-N 658.800 2.952 0 50 KFAA COc1ccc(-c2coc3cc(O[C@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)ccc3c2=O)cc1 253497375 FTCLAIAXKAGMBI-PAQODBCHSA-N 598.557 2.931 0 50 KFAA biogenic,in-vitro COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)Cc3cccnc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323476 XHHCITWTUNOIOJ-YKGWTUMTSA-N 808.981 2.588 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCc2cccnc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702492 CUPWFWPWUJPJJV-OMLWRBBXSA-N 666.783 2.527 0 50 KFAA 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 15721610 CCQFOFXVPZPGDN-INIZCTEOSA-N 500.618 2.523 0 50 KFAA CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C(N)=O)[C@@H](C)O 226862877 MXAKCRVLKDKVLY-JFWNMISASA-N 584.714 2.583 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc[nH]c1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772700627 DDUFLHFPDCECIF-QFIPXVFZSA-N 518.570 2.917 0 50 KFAA COCc1nc([C@H](NC(=O)CC2(c3oc(C)cc(=O)c3O)CCSCC2)c2ccc(OC)cc2)n[nH]1 1776111732 NKCWJYCPJKEINH-OAQYLSRUSA-N 514.604 2.988 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccc3nn[nH]c3c2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857706092 JUZLQHBLDZBNOB-NDEPHWFRSA-N 607.675 2.995 0 50 KFAA O=C(OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 1875328552 XYAVECUUALTBOU-SFHVURJKSA-N 500.602 2.783 0 50 KFAA Cc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NC[C@@H]3CCCO3)cc2)c(=O)c2ccccc21 8593633 PKLJIQBOLSFXCP-QHCPKHFHSA-N 526.593 2.937 0 50 KFAA O=C1CN(C(=O)c2ccc(Cn3cnnn3)cc2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14747436 RKBNPYQZUPLDEQ-MHZLTWQESA-N 528.588 2.973 0 50 KFAA COc1ccc2nc(C(F)(F)F)nc(N3CCNC(=O)CCN(C(=O)c4ccc(F)cn4)CC3)c2c1 952882906 WINCQLWYUQYVCU-UHFFFAOYSA-N 506.460 2.660 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)CN1CCOc3ccccc3C1)CCNC2=O 1875242725 YUWUTVUXKULRGG-XMMPIXPASA-N 653.740 2.677 0 50 KFAA COc1cc(Cl)cc2cc(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)[C@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC3=O)oc12 1772702894 VVFZPDFUCMCUSQ-BQRPEJFJSA-N 696.201 2.971 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCCN)CCCNC(=O)c2csc1n2 1772817228 MWGNSAXUYVSLQC-CPJSRVTESA-N 611.794 2.828 0 50 KFAA CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)[C@@H](O)[C@@]34O[C@H](C(C)(C)O)[C@@H](C[C@@H](C)[C@@H]3[C@@]12C)O4 96086360 HZIBYJCDCHVSPK-RKUDFBBFSA-N 678.860 2.663 0 50 KFAA biogenic,in-vitro CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 575440663 FXQVVLZWDCGFRK-UHFFFAOYSA-N 802.993 2.666 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)c3ccnn3C)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952864283 NUIDLFYSLQUCBQ-XTEPFMGCSA-N 619.719 2.948 0 50 KFAA Cc1nc[nH]c1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817614 PIRQTJJOELHFJF-CVDCTZTESA-N 604.693 2.576 0 50 KFAA COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)cc1OC 1857710849 TUJZGPNENQXAHZ-FFEOCEQPSA-N 777.857 2.677 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]21 1875242670 ZHAHBURLHHADAE-LEWJYISDSA-N 526.549 2.872 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cccs1 16730441 LXJVGHFNFLNFGP-MTGKDYNDSA-N 500.598 2.504 0 50 KFAA COc1c(F)cccc1CN1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 952857121 JUQCBCLVJLHEQE-RUZDIDTESA-N 570.641 2.963 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)CC3CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952865983 ZTIXDJCACUPULQ-LSYYVWMOSA-N 565.667 2.921 0 50 KFAA COCC[C@]1(C(=O)NC2CCN(c3cccc(C)c3)CC2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1857703279 PEEGANNBPPIYEC-UUWRZZSWSA-N 607.796 2.730 0 50 KFAA Cn1ccc2ccc(C(=O)N3C[C@@H]4c5cccc(c5)OCCCN(C(=O)c5n[nH]c6c5CCC6)CCNC(=O)[C@H]4C3)nc21 1875241528 FAWPAACDPGIHLU-RPBOFIJWSA-N 581.677 2.682 0 50 KFAA Cc1onc(-c2cccc(F)c2)c1C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 2325825394 OOCFIETVWPXDTF-UHFFFAOYSA-N 523.340 2.861 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2cscn2)CC1=O 2356134097 YEOOGJISYNFDLC-MUUNZHRXSA-N 539.702 2.718 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1=O 2356137588 QQEACSUAPATVAH-MGBGTMOVSA-N 639.819 2.657 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2Cn2cccn2)CCN(C)C(=O)[C@@H](C)NC1=O 1704317945 LIXVZZPQPAUPOT-GJZSCTEUSA-N 755.946 2.526 0 50 KFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC1 1704321459 PQNQKHHBYSHQEQ-VTTCDHFQSA-N 644.773 2.765 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(C)c(N3CCNC3=O)c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772707372 YUDIBFRGTCPTDG-BJQOOGECSA-N 759.909 2.875 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cc2ccc3c(c2)OCO3)CCNC(=O)COc2cc(ccc2OC)C1 1775977531 JUQLVNGVCKPOQF-UMSFTDKQSA-N 637.730 2.792 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cccc(S(C)(=O)=O)c1)CCCCN(C(=O)[C@@H]1CCc3nn(C)c(=O)n3C1)CCCn1ccnc1-2 2100533750 YLRMFBACSAUIAX-HHHXNRCGSA-N 705.838 2.654 0 50 KFAA COC(=O)c1c(NC(=O)COC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)sc2c1CC[C@H](C)C2 2325874685 XBUZXCZZMSGITC-LBPRGKRZSA-N 540.616 2.844 0 50 KFAA CS(=O)(=O)N1CCCCN(C(=O)[C@@H]2CC(=O)N(c3nccs3)C2)CCCn2ccnc2-c2cccc(c2)OCC1 2356134263 GRRQURJVWNOPNW-JOCHJYFZSA-N 586.740 2.713 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 409414414 QKSVANPFVPFJCF-RJGXRXQPSA-N 530.666 2.644 0 50 KFAA biogenic COc1cc2cc(OC)c1OCCCn1cc(nn1)COc1c(OC)cccc1C(=O)N(C)CCN(C)C2=O 1704317413 HTWXRGJWCADVOI-UHFFFAOYSA-N 539.589 2.510 0 50 KFAA CCn1nccc1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817369 LAIVDAWSXXTGRD-CPJSRVTESA-N 618.720 2.760 0 50 KFAA Cc1ccc(-n2cc(CN3CCCNC(=O)c4nn(C)c5c4C[C@@H](CC5)N(C)C(=O)CCC3)cn2)cc1C 1857726887 HLWARHVBUVOPNR-HSZRJFAPSA-N 517.678 2.954 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(c4cncc(C(=O)N5CCN(C)CC5)n4)C3)[C@@H]2CCCC(=O)N1 1857741328 NREQUCKPPYKEIT-MGCKMXKFSA-N 567.779 2.649 0 50 KFAA CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5ccccc5O)[C@H]34)[C@H]2C1=O 250685024 CXHOWVXUEZYAFS-UBRLSTQDSA-N 500.598 2.725 0 50 KFAA COc1cc2c(cc1OC)[C@H](NC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)CC2 888090525 GQJBCECWQZWWEZ-FDDCHVKYSA-N 529.659 2.721 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(S(=O)(=O)c2ccccc2C)CCCNC1=O 1704322889 LRDHCJMURUSHBN-SANMLTNESA-N 614.794 2.926 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2n[nH]c3c2CCC3)CCCCNC(=O)[C@@H](C)NC1=O 1704324454 RAWPKSGYBFHCRB-XGJRVREISA-N 669.827 2.828 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)CCCN(C(=O)C(c2ccccc2)c2ccccc2)CCCNC1=O 1704325208 ZZJZCIQMUHZJLB-QFQXNSOFSA-N 506.647 2.593 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cccnc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713230 HTBVRWDDAUIUCH-SFDJXPEFSA-N 726.875 2.825 0 50 KFAA Cc1noc(C)c1C(=O)N1C[C@H]2c3cccc4c3OC[C@@]2(CNC(=O)CN(C(=O)c2cc3c(nc2O)CCC3)CCCO4)C1 2100533699 WFHWVMAOVIMEFS-JPQMRUPTSA-N 601.660 2.540 0 50 KFAA O=S(=O)(NCCCOc1ccc(CN2CCN(c3ncccn3)CC2)cc1)c1ccc(F)cc1F 14982100 AIMMRPPRJQTZDO-UHFFFAOYSA-N 503.575 2.824 0 50 KFAA C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1 43760850 CHTJGNNQGAAYAL-QTLGCAHFSA-N 506.555 2.839 0 50 KFAA Cc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)cc1N1CCNC1=O 952865029 LYHBTFGQDPIGQF-UHFFFAOYSA-N 571.682 2.723 0 50 KFAA CCC(=O)OCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253387797 OZJXTWMDBPQRGI-JSIYNEEFSA-N 862.064 2.680 0 50 KFAA biogenic CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](N)Cc2cncn2C)CC1 3948213 GULVVTHHUIIMRL-WUFINQPMSA-N 559.711 2.956 0 50 KFAA in-vitro CC(=O)OC[C@@H]1O[C@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245298270 ZDUHEZBXPHVNCZ-VNXMGFANSA-N 563.419 2.644 0 50 KFAA biogenic CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1 253487156 GAZDXIGXYWVWQX-LHSQPLLFSA-N 643.774 2.715 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C3CCN(Cc4ccccc4)CC3)C2)nn1 299763999 IQROMNXWEMJGHX-VPUSJEBWSA-N 534.636 2.843 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(Cc3ccc(OC(F)F)cc3)CC2)C(=O)N[C@H]1Cc1ccccc1 952865658 UUEZXWGQOKFQBJ-VWLOTQADSA-N 552.626 2.952 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(S(=O)(=O)c2ccccc2C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772707580 WDQIKQDOWNHPSZ-BGEGRKSBSA-N 711.886 2.894 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801048 ARWVTIKJEMLWAI-APUDOPIFSA-N 583.546 2.625 0 50 KFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCCNC(=O)[C@]2(CCCc3ccccc32)NC(=O)CN(CCC(C)C)C(=O)C1 2356137904 DTCPQLBMDBVTCH-MGBGTMOVSA-N 592.785 2.931 0 50 KFAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(Cc2cc(F)ccc2-n2cccn2)CC(=O)N[C@H]1C 2356161435 VZVUFZADHXGJAZ-DUAIZULJSA-N 581.645 2.715 0 50 KFAA Cc1nnc(N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c2ccccc12 952857368 SJVMBRUTIJBDTP-SANMLTNESA-N 538.656 2.606 0 50 KFAA COc1cc(Cl)cc(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c1OC 1704315954 GDUHESMNMOXCMX-HFIHNMJYSA-N 770.353 2.952 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc3c(c2)CCO3)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980608 FEXIVWCLUZUWFN-LGGPFLRQSA-N 618.735 2.770 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccc5nccnc5c4)C3)CN2C1=O 2100533982 OGNVWESYMOTADM-IZGJRWCBSA-N 582.705 2.725 0 50 KFAA O=C1CCC[C@H](CC(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@@H](O)Cc2cc(Cl)cc(Cl)c2)N1 2325876853 CHMFCPPNQYGCCD-ZGDJDIHISA-N 504.414 2.854 0 50 KFAA C[C@H](c1ccc(C(F)(F)F)cc1F)N(C)C(=O)CNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325898582 MJVXDPRKPCMVGV-KZULUSFZSA-N 534.466 2.877 0 50 KFAA CCOP(=O)(OCC)[C@]1(C)[C@@H](COC(=O)NCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)CC=[N+]1[O-] 64857823 UAQUUBGIOJZAFO-QZUICMFXSA-N 591.668 2.528 0 50 KFAA in-vitro CC[C@H](C)[C@@H]1NC(=O)CCCN(S(=O)(=O)c2cc(OC)ccc2OC)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713507 OJZBHSNNIIXEIN-KZFQQWRHSA-N 757.911 2.602 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2cccc3c2OCCO3)CCCNC(=O)COc2ccc(cc2)C1 1857702383 LHROYGIXTRYQOQ-MGBGTMOVSA-N 625.719 2.524 0 50 KFAA COc1cc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)ccn1 1857709011 ZMXVFNAXLGETPY-QIHOXZLRSA-N 712.764 2.515 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N[C@@H]3CN(C)S(=O)(=O)c4ccsc43)cc(c1)-n1ccnc1-2 1857724839 PDEWZVCVWUOTRS-HXUWFJFHSA-N 579.660 2.723 0 50 KFAA O=C(COC(=O)c1nnc(O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 952963088 UFNUGBALVRZXNG-UHFFFAOYSA-N 504.952 2.959 0 50 KFAA CCCn1cc(C(=O)N2CCCNC(=O)[C@H](CCSC)NC(=O)c3cc(ccc3C)OCCCn3cc(nn3)C2)c(C)n1 1704323040 SPNXVMLFFYMOCQ-MHZLTWQESA-N 610.785 2.984 0 50 KFAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCC2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857702119 ANWIYZAEQOESHT-HDXYBINASA-N 714.223 2.611 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cn4ccsc4n3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857711577 HKMQHUXOCKBUMS-NHPGZMOWSA-N 727.804 2.820 0 50 KFAA CC(C)(C)CC1CC(Nc2ncc(S(=O)(=O)N3CCN(c4nc(C5CC5)nc(=N)[nH]4)CC3)cc2F)C1 2325823104 FIJSBTKUDPKOFT-UHFFFAOYSA-N 518.663 2.833 0 50 KFAA COc1ccc(CN2CCCNC(=O)c3ccc(OC)c(c3)OCCn3nc(C)nc3[C@H](C(C)C)NC(=O)C2)cc1Cn1cncn1 2356137122 GEPORTIXTFPDCZ-HKBQPEDESA-N 645.765 2.772 0 50 KFAA Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3c(S)nnc3Cn3ncc4ccccc4c3=O)cc2)n1 59627214 DCEMCJRRJCGKGF-UHFFFAOYSA-N 520.600 2.522 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2cnn3cc(C)ccc23)CCCNC(=O)COc2ccc(cc2)C1 1775979285 KFMBSSIJKHYLPF-XIFFEERXSA-N 621.735 2.709 0 50 KFAA O=C1CC[C@@H](N2Cc3cc(NC(=O)N[C@]4(c5cccc(OC(F)F)c5)CCCOC4)ccc3C2=O)C(=O)N1 2325901356 ANMMUYYVMUDVKK-FQRUVTKNSA-N 528.512 2.876 0 50 KFAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)c3ccc(COc4c(C)cccc4Cl)o3)[C@H]2SC1 8927985 YNXTZYIYTKKIAZ-VGOFRKELSA-N 520.947 2.736 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)Cc1ccc(C)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856439 HVWBNKHLNLLVPU-CAJOGKIJSA-N 705.857 2.556 0 50 KFAA CCc1nn(C)c(Cl)c1CN1CCCNC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1 1800414343 NYTXCDYBGUYUKJ-UHSQPCAPSA-N 640.233 2.879 0 50 KFAA O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)C(=O)N[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O 1875351228 OVSFSMXBEWTQTA-FQEVSTJZSA-N 563.549 2.917 0 50 KFAA COC(=O)c1ccc(C(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)cc1 1940193700 KCLMAQAVRVTYIK-AREMUKBSSA-N 575.666 2.909 0 50 KFAA O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1 2325874324 IKWFABFEBXIZCA-NHCUHLMSSA-N 506.632 2.903 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(Cc2ccn3ncnc3c2)CC1=O 2356136120 HJNXSBDYEKXIRH-HKBQPEDESA-N 559.715 2.664 0 50 KFAA CC1(C)C[C@H](N2C(=O)c3cccc(N4CCC[C@H](C(=O)NCCCN5CCCC5=O)C4)c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c2c[nH]c3ccccc23)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H](c2ccccc2)C1)c1ccccc1 1704332031 OFHPCQXSLNTDIM-NVIDAZPJSA-N 692.817 2.555 0 50 KFAA CCOc1ccc(CC(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)cc1 1772713196 HBIVYJBGPISMFV-CPBHLAHYSA-N 645.805 2.897 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCC(F)(F)F)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713898 WMEMKMQOINQESE-GJZUVCINSA-N 607.678 2.599 0 50 KFAA Cc1cnc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cn1 1772817096 HANSESSSEZBWRC-CPJSRVTESA-N 616.704 2.642 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)c1ccncc1)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857698926 AZXFAXBHAYEGIJ-HEIROHQZSA-N 688.782 2.819 0 50 KFAA Cc1ocnc1C(=O)N1CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]2NC(=O)C1 2100533015 UXZRMXAFLSLRIO-RPBOFIJWSA-N 544.608 2.957 0 50 KFAA O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1 2325874326 IKWFABFEBXIZCA-SFTDATJTSA-N 506.632 2.903 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(S(=O)(=O)c2cccs2)CCCNC1=O 1704322082 FEAWCWFROXGIDI-QHCPKHFHSA-N 606.796 2.679 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCc2cccnc2)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713169 GLNVTDLJTRHTJH-BSWQAURTSA-N 834.979 2.789 0 50 KFAA Cc1cccc(CN2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)n1 1772817585 FIMLJDZHDJAPJF-OFSOJUDTSA-N 588.757 2.633 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cc2ccc(-n3nnnc3C)cc2)CCNC(=O)COc2ccc(cc2OC)C1 1775978835 PNKQWCGMVAAHBD-PSXMRANNSA-N 691.830 2.984 0 50 KFAA CCN1C[C@@]2(COC)CC[C@@H](OC)[C@]34[C@H]5C[C@]6(O)[C@@H](OC(=O)c7ccc(OC)cc7)[C@H]5[C@@](OC(C)=O)(C[C@H]6OC)[C@@H]([C@@H](OC)[C@@H]23)[C@H]14 2084072807 GAZDXIGXYWVWQX-CLZQIZAISA-N 643.774 2.715 0 50 KFAA Cc1nc(C)c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@@H](CCc4ccccc4)C(=O)N[C@H](C)C(=O)N2C3)s1 2100533525 TVHBBEOUESBOJI-WKNJGTSGSA-N 565.740 2.855 0 50 KFAA COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225423840 QBIROGRCIAFLGI-SLYNCCJLSA-N 566.607 2.847 0 50 KFAA biogenic NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2C=Cc2ccccc21 245189257 HTQFVUMGNBUABW-UHFFFAOYSA-N 525.646 2.625 0 50 KFAA CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@@H](C)C[C@H]1N(C)C 252441398 TYQXKHPOXXXCTP-GCEYLCCNSA-N 790.001 2.747 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)Cn3cccnc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952861993 DZYACFUCXUZORZ-NSOVKSMOSA-N 603.676 2.601 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)CCCN(C(=O)CCc2ccc(-c3cccs3)o2)CCCNC1=O 1704323012 NKSHVNLRSWCLED-HOYKHHGWSA-N 516.664 2.715 0 50 KFAA CCOc1ccc(C(=O)CCC(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1C 1772713183 GUIWDFHBNSZNGE-PVTPYKNESA-N 744.894 2.877 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)N1)CCCC(=O)N[C@H]2Cc1ccccc1 1800430548 QMXGIKUECDEYJH-MCEYFSPLSA-N 649.774 2.597 0 50 KFAA Cc1c(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@@H](CCc4ccccc4)C(=O)N[C@H](C)C(=O)N2C3)[nH]c2c1C(=O)CCC2 2100533903 KRJPFEZOCKURPM-HWFPEDPKSA-N 601.748 2.937 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)CN2CCOc3ccccc3C2)CCCC1=O 2356137516 OEUQKRMXFINALW-DHUJRADRSA-N 617.791 2.842 0 50 KFAA CONC(=O)[C@@H]1[C@H](O)[C@]2(O)c3c(OC)cc(OC)cc3O[C@]2(c2ccc(OC)cc2)[C@H]1c1ccccc1 84671721 KLSIFOJPWJBRFH-DFEWDZLZSA-N 507.539 2.640 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](SCCOc2ccc(Br)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245298268 ZDUHEZBXPHVNCZ-RTOMLYRKSA-N 563.419 2.644 0 50 KFAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O 409414417 QKSVANPFVPFJCF-VABKMULXSA-N 530.666 2.644 0 50 KFAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)CCC2(C)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772705658 ZEYZOBFIPKVNAY-QVXXBSHFSA-N 716.880 2.627 0 50 KFAA CCOC(=O)N1CCC(NC(=O)[C@]2(CCCOC)CNC(=O)c3c4ccccc4nn3CCNC(=O)COc3cccc(c3)C2)CC1 1857705326 CJWKSPAWYVTMKU-UMSFTDKQSA-N 648.761 2.668 0 50 KFAA Cc1noc(C)c1C[C@@H](C)Nc1ccc(S(=O)(=O)N2CCOC[C@@H](n3cncn3)C2)c2ccncc12 2325823152 HHKYPMUEFMYXET-APWZRJJASA-N 511.608 2.736 0 50 KFAA Cc1nc(CC(=O)N2CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]3(CCCc4ccccc43)C(=O)NCC2)cs1 2356139192 DYMFWEGFFGJLDG-SSEXGKCCSA-N 567.756 2.955 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCn2cccn2)CCNC(=O)c2csc1n2 1772713605 MQHJSOHMGLWWOS-GOTSBHOMSA-N 632.747 2.907 0 50 KFAA CCc1nc(C)c(CN2C[C@@H]3NC(=O)CCc4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)[nH]1 1772817832 SZHFRLFXJJLANB-IGKIAQTJSA-N 547.656 2.679 0 50 KFAA O=C(CN1CSCC1=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21 2325877235 MXSMLRHPQDTFHS-FKSNYVRGSA-N 526.456 2.766 0 50 KFAA CCc1nccn1CCC(=O)N1CCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccnc(OC)c3)C[C@@H]2C(=O)NCC1 2100533218 GJBSSJLCMVVOHG-FTJBHMTQSA-N 574.682 2.523 0 50 KFAA O=C1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@@H](OCc2cccc(F)c2)CN1CCc1ccccc1 14536430 AGTLOZUADXJHKD-SANMLTNESA-N 514.561 2.914 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cncc(F)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704297070 FVYRVAIPLKYYLV-YRVWTACLSA-N 812.944 2.798 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(Cc2cccnc2OC)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704330522 FASDCQVQPOPOOS-DTBDFGAESA-N 781.018 2.854 0 50 KFAA Cc1sc(C(=O)c2cncnc2N[C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)C2)cc1[C@@H]1NCCc2ccc(Cl)cc21 1772768830 LXRZVMYMQHNYJB-UNXOBOICSA-N 578.116 2.738 0 50 KFAA in-vitro COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCc1n[nH]c3c1CCCC3)CCCCNC2=O 1857704876 JGZVBTOKBVILQW-GMAUKECHSA-N 789.931 2.706 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(Cc1ccccc1CS(=O)(=O)c1ccccc1)CCCNC2=O 1857706457 TVJQPYIIVQDPKU-UHFFFAOYSA-N 551.665 2.800 0 50 KFAA Cc1cccc(S(=O)(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)c1 1857713058 BJXUPUBDJCLEAE-UDPMZSKESA-N 731.832 2.968 0 50 KFAA O=C(O)c1ccc(Br)cc1OCc1cn(-c2ccccc2CNC(=O)[C@@H]2CCOC2)nn1 1875326151 CICIORZZBBXSFS-OAHLLOKOSA-N 501.337 2.960 0 50 KFAA Cc1ccccc1CC(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)C1 1704318833 RCPNRYMJSJTDIJ-XBZWSRNISA-N 770.957 2.984 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@H]1CCCN1)CCCNC2=O 1704323030 NYWFLQISKVCFML-OAQYLSRUSA-N 512.582 2.737 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)c3ccccc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817679 QDDKXBOJTGLWEN-ZIUFOHNRSA-N 761.942 2.979 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)c1c(C)noc1C)CCNC2=O 1857724864 QFUULVQSIJXQSZ-LJQANCHMSA-N 587.637 2.701 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)c1cc(N3CCOCC3)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857740478 PDTGTRUTAVLXBC-XTBGVDMQSA-N 783.931 2.917 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(CCn1c(=O)oc3ccccc31)CCCNC2=O 2100533922 LKUZVSLYJGEHOY-NRFANRHFSA-N 536.677 2.727 0 50 KFAA CCOc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc(Br)c1OCC(N)=O 1123395 OEQWMGYHQISGKY-HXUWFJFHSA-N 533.448 2.821 0 50 KFAA O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 230290509 YQTIPJSYUMZZNU-MPEXOLBDSA-N 992.089 2.580 0 50 KFAA NCCOCCOCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 230497650 SQJRQGZXMBEAHI-UHFFFAOYSA-N 581.647 2.961 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ncoc3C(C)C)C[C@@H]1NC2=O 1704338763 ZFZFGIRGINYKJQ-REWPJTCUSA-N 534.569 2.517 0 50 KFAA Cc1nonc1C(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(CC3CC3)nc2[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1857697129 WLXJLUSHNVVHKK-HJEVSJOPSA-N 725.851 2.791 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cc1csc(C)n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864942 SROAXLDVYMEVJD-MHZLTWQESA-N 631.759 2.605 0 50 KFAA Cc1ccc(CN(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 1143279 ROMGJSWHFLMZRA-UHFFFAOYSA-N 508.438 2.672 0 50 KFAA CC(C)C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817198 MAYATJAVPFQEGQ-CVDCTZTESA-N 566.684 2.886 0 50 KFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)Cc1cc3c(cc1Cl)OCCO3)CCCC(=O)NCCO2 1857672612 HZIDGBKJPSAFBI-UHFFFAOYSA-N 515.994 2.510 0 50 KFAA CP(C)(=O)c1cccc(CNc2ncc(S(=O)(=O)N3CCN([C@H]4CCCOC4)CC3)cc2F)c1 2325823457 TTYCIIUATJWIPK-IBGZPJMESA-N 510.572 2.566 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CCN2CCCCCC2=O)CC1=O 2356139371 PVXSJVZMDAZFGM-XIFFEERXSA-N 595.785 2.740 0 50 KFAA COc1ccc(CCN2C(=O)[C@@]3(Cc4c(nc5ccccn5c4=O)N4CCCCC[C@H]43)C(=O)N=C2O)cc1OC 230005807 YCKBZAOVMBGQBD-PZGXJGMVSA-N 545.596 2.529 0 50 KFAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497392 MJRFCSQUAHKKFK-SPLDPELNSA-N 626.567 2.693 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)CCn3cccn3)C[C@H]2C(=O)N1 1704318036 NMMIVVCQWMIOFP-VTOMIKQJSA-N 589.741 2.529 0 50 KFAA CCOC(C)(C)C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772702758 IVUMRNRTPJJTQX-UIOOFZCWSA-N 551.640 2.687 0 50 KFAA COc1cccc(-c2ncc(CN3CCCNC(=O)c4ccc(OC)cc4OCCNC(=O)C3)s2)c1 1857710751 NMOQTHLXXOEACH-UHFFFAOYSA-N 510.616 2.958 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N[C@@]4(c5cccc(OC(F)F)c5)CCCOC4)ccc3C2=O)C(=O)N1 2325901355 ANMMUYYVMUDVKK-FNZWTVRRSA-N 528.512 2.876 0 50 KFAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(Br)c(C)c4)C3=O)C2)n1 1875350748 ZBGTWQOLWANFCT-GHTZIAJQSA-N 556.461 2.950 0 50 KFAA Cc1c(NC(=O)[C@H](C)SCc2nc(-c3ccc(-n4[nH]cnc4=N)cc3)no2)c(=O)n(-c2ccccc2)n1C 1875351559 ALIAXFBYKMAWHX-INIZCTEOSA-N 531.602 2.788 0 50 KFAA COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](OC)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 204220965 MFDHAVFJDSRPKC-AMEOFWRWSA-N 560.603 2.836 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)CCCN3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616092975 JUGCAYYTKXYSRS-WDYNHAJCSA-N 578.710 2.598 0 50 KFAA CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1 1857795429 PUSBLAHHWCDZSD-CMBFFXGRSA-N 645.614 2.586 0 50 KFAA Cc1nn(CC(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c(=O)c2ccccc12 1704322002 BARRIUANTRJMKL-UYBDWZGHSA-N 667.811 2.960 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3nnc4ccccn34)CCN(Cc3ccccc3)CC2)o1 1776111420 VYFYUHNOCHBQHK-UHFFFAOYSA-N 501.587 2.979 0 50 KFAA COc1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(Br)c(OC)c3)CC2)ccc1Br 1875302999 QLLVVSDZFFUGJG-UHFFFAOYSA-N 627.377 2.514 0 50 KFAA COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OCCCCC(=O)NCCOCCOCCOCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 1875303394 SSAVMUCHKWHVOG-PMERELPUSA-N 830.778 2.808 0 50 KFAA OCCN(CCO)C[C@H](O)Cn1c2ccc(I)cc2c2cc(I)ccc21 8426030 FLBUGINTQGVWCD-HNNXBMFYSA-N 580.204 2.651 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cccc(OC(F)F)c2)CCN(C)C(=O)[C@@H](C)NC1=O 1704318660 QOVVOQBLRZEUPA-LEEWXGEHSA-N 755.845 2.523 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)C(C)(C)OC)CCNC(=O)COc2ccc(cc2OC)C1 1857690597 GIARVHXZMOYNJR-WJOKGBTCSA-N 591.746 2.882 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2cccnc2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857703140 VMZIAFKRSHQQQX-RUIKBKNUSA-N 720.799 2.700 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)Cc1cn2ccsc2n1 2100533910 KZHQVUJTZPTEAU-FCHUYYIVSA-N 553.685 2.517 0 50 KFAA Nc1cc(=O)[nH]c(SCC(=O)Nc2c(I)cc(I)cc2I)n1 150481132 VJWRJJBKARMKND-UHFFFAOYSA-N 654.009 2.897 0 50 KFAA CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O 261525811 YMCXGHLSVALICC-LCUQRWKISA-N 949.848 2.586 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3csc(C(C)C)n3)C[C@@H]1NC2=O 1704318143 OHSFZVABXOPFGB-RDPSFJRHSA-N 550.637 2.986 0 50 KFAA COc1cccc2c1OCc1cn(nn1)CCOc1cccc(c1)CC(=O)N1C[C@H]3CC[C@@H](C1)N(C2)C3 1704323843 HGYMICJYKWVLOU-URXFXBBRSA-N 503.603 2.924 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)c2ccccc2-n2cnnc2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 2100533706 WNLYYFZZRZJCSD-JOCHJYFZSA-N 560.703 2.789 0 50 KFAA CC(C)c1ncc([C@@H](C(=O)NCCOCc2ccccc2)N(CCOC2CCC2)C(=O)c2cncc(N)n2)[nH]1 2325839460 UQXKBGVUROPXHH-VWLOTQADSA-N 535.649 2.991 0 50 KFAA COc1ccc(CN2C[C@@H](COc3cccc(F)c3)C[C@@H](C(=O)NCCN3CCOCC3)C2)cc1OC 14747230 HTBKVZSOJDRMDW-XZOQPEGZSA-N 515.626 2.808 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ncc(Sc3nnc(O)nc3O)nc2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 828178941 ZQLMKZLJFPDDIV-WDGUNVFXSA-N 684.643 2.591 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccc3nccnc23)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704323406 VIAHMDLZQCFRBP-RJSONGRPSA-N 794.939 2.690 0 50 KFAA COc1cc2ccc1OCC(=O)NCCN(C(=O)c1cnc3ccccn3c1=O)CCCC(=O)NC[C@](CCC(C)C)(C(=O)NC1CCOCC1)C2 1875241996 IPIWLUDRBXOEEZ-KXQOOQHDSA-N 718.852 2.511 0 50 KFAA CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 2325875622 YALOUCMMFOSAQA-PWRODBHTSA-N 500.644 2.598 0 50 KFAA Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)ccc12 5273756 RIYLNECMTVNMSO-GOTSBHOMSA-N 551.596 2.869 0 50 KFAA in-vitro COC(=O)C1=C(C(=O)OC)[C@H](C(=O)OC)CN2C(=C1C(=O)OC)C(c1ccccc1)=Cc1ccccc12 19799840 KFHAYFMDVAJFHB-LJQANCHMSA-N 503.507 2.920 0 50 KFAA CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O 256069932 CBVCZFGXHXORBI-TYEFFCLESA-N 613.803 2.867 0 50 KFAA Cc1oc2c(c1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC1)C(=O)CCC2 952862700 QHOGIGWVRKQQEK-HSZRJFAPSA-N 608.671 2.876 0 50 KFAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)CN2C(=O)[C@H](C(C)C)NC1=O 952863543 BMVSKLLDCDFWKS-CWPIJUQSSA-N 732.826 2.549 0 50 KFAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)Cc2c(C)[nH]c3ccccc23)CCNC(=O)COc2cccc(c2)C1 1857700572 WUXMPOVKIDKQLM-XIFFEERXSA-N 606.720 2.691 0 50 KFAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@@H](Cc1ccc(O)cc1)c1ccccc1)CCCNC2=O 1857711894 PFFQQDBNTNNWIO-SANMLTNESA-N 531.609 2.884 0 50 KFAA CNC(=O)[C@@H](c1cccc(C(=O)OC)n1)N(C(=O)C[C@@H]1CCCC(=O)N1)C1CC[Si]2(CCCC2)CC1 2325839058 HQMYCTMEPIYBAH-MHECFPHRSA-N 514.699 2.948 0 50 KFAA Cc1nn(CC(=O)N2CCCCNC(=O)[C@@]3(CCCc4ccccc43)NC(=O)CN(CCC(C)C)C(=O)C2)c(=O)c2ccccc12 2356137769 YSPFITRYKFZMJA-DHUJRADRSA-N 628.774 2.666 0 50 KFAA COC(=O)[C@@H]1[C@]2(C)N=c3s/c(=C\c4cc(Cl)cc(Cl)c4O)c(=O)n3[C@H]3c4ccccc4O[C@]312 245253626 JSKDYXMZPOACEA-XHGOSENLSA-N 503.363 2.666 0 50 KFAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC[C@@H](C)NC(=N)N)C(=O)O 253487040 DARRDGIZJNTTDK-IKHACIPZSA-N 940.109 2.537 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C2CCOCC2)CCCCNC(=O)[C@@H](C)NC1=O 1704319551 WNTYKVUJHLTBNE-SDDUWZMOSA-N 647.817 2.729 0 50 KFAA COCCC[C@@]1(C(=O)N2CCCC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857698393 OWGZTXSQSBKHQH-PMERELPUSA-N 547.656 2.553 0 50 KFAA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 1108716 LFAZRMRZMGVARK-UHFFFAOYSA-N 527.466 2.666 0 50 KFAA O=C(NCc1ccc(CN2CCCCC2)cc1)c1nc(Cn2cc(I)cn2)no1 12429211 PNHJQBPOVSEGHT-UHFFFAOYSA-N 506.348 2.835 0 50 KFAA CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H](CC(=O)O)C(=O)COc1c(F)cccc1F 25668344 OOBJCYKITXPCNS-OFNKIYASSA-N 513.497 2.875 0 50 KFAA COC(=O)c1ccc(CNC(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)c2c(O)cc(C)oc2=O)o1 263585214 GJOFTSGLHUGNBV-INIZCTEOSA-N 501.488 2.898 0 50 KFAA biogenic C[C@@H]1NC(=O)CCCN(Cc2cn(C)nc2-c2ccccc2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704318654 PCMXFTPJXANENK-RBISFHTESA-N 569.710 2.903 0 50 KFAA CN1CCN(c2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)c3nonc23)CC1 13328489 ZXFZFXCKVBLFPN-UHFFFAOYSA-N 513.601 2.559 0 50 KFAA COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)cc1 263586850 YSKRTKWHDJABDN-MUQQHEDISA-N 586.645 2.805 0 50 KFAA biogenic COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3c(C)noc3C)C[C@@H]1OCc1cccc(c1)O2 952856012 BHNVEQAQQYLCHM-VMPREFPWSA-N 621.691 2.880 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cccc(N)n2)CCCCNC(=O)[C@@H](C)NC1=O 1704324389 NSDIBJNTVWRADE-NRSKXHDUSA-N 655.800 2.593 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ccncc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817252 JYXFNZRNNLCSNK-OFVILXPXSA-N 601.689 2.939 0 50 KFAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(Cc1nc3ccccc3nc1C)CCCNC2=O 952870277 VDIDWVTVWTWTFI-QFIPXVFZSA-N 576.698 2.705 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cccc4ncccc34)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318137 OGWKAJSSCBWSSJ-RYSHCBBCSA-N 658.800 2.603 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CN(C)Cc2ccncc2)CCCCNC(=O)[C@@H](C)NC1=O 1704321849 GYDQJJRGTWHWJV-WEQWWUEYSA-N 697.881 2.829 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCCN2CCCC2=O)CCCCNC(=O)[C@@H](C)NC1=O 1704323824 ZGIIRSQCVIDRSL-RKVVATLDSA-N 688.870 2.705 0 50 KFAA COc1ccc2cc1OCCN(C(=O)CCc1c(C)nc3ncnn3c1C)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772713822 SQUPYIGXRODORU-VWLOTQADSA-N 613.675 2.573 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cccc(Cn3cccn3)c2)C1 14740789 UGAMHYBAJSMZCN-HHHXNRCGSA-N 531.657 2.712 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952865971 ZBDIYLZQHNDYRD-OTPQIFFISA-N 733.813 2.815 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)Cn3cccn3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616070249 OKKBBSARIVHCBP-IZLXSDGUSA-N 619.719 2.798 0 50 KFAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc3c(c2)CN([C@@H]2CCC(=O)NC2=O)C3=O)c1 2325901814 ZWMSCRNDPWZAHL-FTJBHMTQSA-N 586.670 2.819 0 50 KFAA O=C(OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 97956665 ZUEZUNSMNFNCLZ-AJYBTWMASA-N 533.306 2.617 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253399370 CWQHMPFPMCMXGU-UNMCSNQZSA-N 587.695 2.988 0 50 KFAA biogenic CNc1cc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)ccn1 952863204 SXPZYXPJKKIADR-NSOVKSMOSA-N 618.691 2.783 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cccnc3OC)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714222 GHABQJRRVDVFBR-VRGUBSQPSA-N 756.901 2.834 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2ccc[nH]2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775983712 RWCDOYSSDJZMRC-JTSJOTPCSA-N 693.809 2.559 0 50 KFAA Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1 1875350839 BUJDNELWPSPFNK-IBGZPJMESA-N 525.573 2.850 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cc3c(nc1OC)CCC3)CCCNC2=O 2356136479 WMZISUXICNWVIB-NDEPHWFRSA-N 619.723 2.656 0 50 KFAA O=C1c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(c3ccccn3)C4=O)cc2C(=O)N1c1ccccn1 1234088 OMXSQRCTHHUYMR-UHFFFAOYSA-N 510.487 2.911 0 50 KFAA CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccnc3OC)cc2)cc1 3182418 QUEQAWSKBLAJIA-UHFFFAOYSA-N 519.605 2.569 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1F 215932971 LTOZIPKEOGLEJO-GVAUOCQISA-N 544.693 2.568 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 409413050 ANGYCMDHRHEFRS-OEMFJLHTSA-N 500.640 2.635 0 50 KFAA biogenic Cc1cc(C)n(CC(=O)N2CCCNC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)c(=O)n1 1772816797 BMMCGWLUDGKCTO-FIPFOOKPSA-N 690.852 2.963 0 50 KFAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCNC(=O)NC1CCCCC1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443488 VZYNYXJCRJSBRC-MVDURCSDSA-N 560.699 2.719 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100839451 ISAIXZGAFRRNHE-XPCGLTFESA-N 552.605 2.749 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(Cc1ccc3c(c1)CCO3)CCCNC(=O)[C@@H](C)NC2=O 1704323845 HIJGOIPLYZSRFU-OAQYLSRUSA-N 532.645 2.631 0 50 KFAA CC(=O)O[C@@H]1[C@H](O)CO[C@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)[C@@H]1OC(C)=O 1775966685 TZHGYWCJIXHMJK-INEGXWNSSA-N 839.029 2.505 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cccnc2)CCNC(=O)COc2cc(ccc2OC)C1 1775979865 OIKANTJZBRYDOU-HKBQPEDESA-N 580.682 2.530 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(OC)c(OC)c2OC)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857696694 LWQBUVYGUIIAIH-KMRXNPHXSA-N 666.776 2.861 0 50 KFAA NC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1)c1cccs1 1875256985 JCDXSEHVBCXZOH-AWEZNQCLSA-N 535.873 2.797 0 50 KFAA Cc1cc(C)n2c1C=C1C=CC(CCC(=O)NCCCCOc3ccc4c(c3)C(=O)N([C@H]3CCC(=O)NC3=O)C4=O)=[N+]1[B-]2(F)F 2325870373 UYMYHWVYAQCMRY-VWLOTQADSA-N 619.434 2.862 0 50 KFAA COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1cccs1 16730782 MHEJBRMEOJVXDB-SRKIZSPNSA-N 500.598 2.504 0 50 KFAA CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1 253503619 PUSBLAHHWCDZSD-PVMGMHGFSA-N 645.614 2.586 0 50 KFAA COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257349188 MITDEMNHLYHCKD-BIQFNODASA-N 708.798 2.971 0 50 KFAA CN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCOCCC(=O)OC(C)(C)C 258839811 WLJDDKSYRBIOGK-UHFFFAOYSA-N 639.824 2.515 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1ccc(-n3ccnc3)cc1)CCCNC(=O)[C@@H](C)NC2=O 1704318628 OOBVXJVPMLRWEX-JOCHJYFZSA-N 570.654 2.522 0 50 KFAA CCOCCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)c2ccc(cc2)C1 1704325152 XLNSOFZAXWUBDV-AIJYVZMASA-N 665.832 2.737 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccccc3)C[C@@H]1NC(=O)CC2 1772714563 XFJYSIJGUYPUET-IGKIAQTJSA-N 529.593 2.725 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2cccnc2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775980600 DWSYRLZPFZTKOU-BHDXBOSCSA-N 705.820 2.626 0 50 KFAA COc1cccc(CO[C@H]2CN(CC(C)C)C(=O)CN(C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc34)C2)c1 14540186 LWIWMBYRBCWRTE-KNQAVFIVSA-N 506.603 2.947 0 50 KFAA Cn1ccc(C(=O)N2CC[C@]34C(=O)N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)c2ccccc24)n1 952868095 YIKHGQNFNGBEDC-LBNVMWSVSA-N 509.570 2.866 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)c2cc(C)n3nc(C)cc3n2)CCCNC1=O 1704322744 OBELJZDRFCLHQI-SANMLTNESA-N 633.779 2.729 0 50 KFAA CCOC(=O)[C@H](CC1=CN[C@@H]2C=CC=C[C@H]12)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1772665188 SXBXYLJEUWKBRZ-AFQFEXIYSA-N 511.578 2.930 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cc2ccc(-n3nnnc3C)cc2)CCNC(=O)COc2ccc(cc2OC)C1 1775978834 PNKQWCGMVAAHBD-BHVANESWSA-N 691.830 2.984 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)[C@@H]2CCCNC2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857702894 STVCIMGVSKEARX-NOZRDPDXSA-N 611.715 2.880 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)COC)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857703782 YXFTUEDNEAUEJI-QFIPXVFZSA-N 572.634 2.526 0 50 KFAA CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c3c(c2)OCO3)c1O 253496566 PHKRNLNFRVWNHQ-INIZCTEOSA-N 538.509 2.974 0 50 KFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)CCCc2nc(-c3ccncc3)no2)CCCN1 1875241847 FYFXEGLPZORTMZ-JOCHJYFZSA-N 518.618 2.873 0 50 KFAA CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3ccc(=NC[C@H]4CCN(C(=O)C(C)(C)C)C4)[nH]n3)CC2)C1 1875351727 GKFYBLUVVGEXRS-LJQANCHMSA-N 514.671 2.678 0 50 KFAA CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4cc(Br)ccc4n(C)c3n2)s1 2746179 APPIJVDUINERCM-UHFFFAOYSA-N 522.410 2.967 0 50 KFAA CCOc1ccc(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1 11912657 JUABNSZRXFNFEQ-BVAGGSTKSA-N 518.618 2.628 0 50 KFAA COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 16700142 PYFRPTDCEBSAIY-WYWXSHKMSA-N 512.971 2.996 0 50 KFAA CC(C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCCCCCN3C(=O)[C@@H]4[C@H](C(C)C)N[C@@]5(C(=O)Nc6ccccc65)[C@@H]4C3=O)C(=O)[C@H]12 170622788 ZEKAXMYRRCDZQI-IRKZTTFWSA-N 680.806 2.700 0 50 KFAA CCn1ccc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)n1 952863716 FJFNLIIEMZSFDT-SVBPBHIXSA-N 577.682 2.818 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 1616117107 ZBLNJNWUUOTFPF-SXOMAYOGSA-N 594.709 2.564 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)CCN3CCCCCC3=O)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772704835 UCHTYSQZSAWDSX-QJYHWVTGSA-N 788.987 2.909 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc3c(c1)CCO3)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714284 JEWFPTJZNGVVJS-JOMNFKBKSA-N 629.762 2.505 0 50 KFAA COc1cc(C(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)ccn1 2100533113 ASDVEZPSZFKXOM-XMMPIXPASA-N 548.644 2.526 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1c(C)noc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100534087 SYYBAIQIJZHRJH-AREMUKBSSA-N 566.659 2.736 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 653614 VEQXUCKLVOXPPF-YOURIZNBSA-N 508.552 2.631 0 50 KFAA CC(=O)c1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)s1 952864086 LAAIEABIRWWSSU-ICSRJNTNSA-N 530.006 2.818 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccnc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322247 LGQIJHQUASRSJP-YKGWTUMTSA-N 808.981 2.967 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccccc3)C[C@@H]1NC(=O)CC2 1772713391 JCKRJFLPTPXMDX-IGKIAQTJSA-N 529.593 2.725 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)CCN(Cc3ccccc3)CC2)o1 1776111525 CQMYDOHTHHHRQO-UHFFFAOYSA-N 525.627 2.542 0 50 KFAA COc1ccc([C@H](CC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263584893 BVRHZXAXXGWINH-IBGZPJMESA-N 552.646 2.520 0 50 KFAA biogenic Cc1ccc2cc1OCCCn1cc(nn1)CCN(Cc1nc(-c3cccs3)oc1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952868251 HFYVDGVUFMLLGJ-HRFSGMKKSA-N 607.737 2.734 0 50 KFAA Cc1ccc(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)cc1 1704322171 JPNSTZPWAFHIBE-ZJEFRKGSSA-N 689.883 2.590 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cccc(O)c3)C[C@@H]1NC(=O)CC2 1772701901 AVEKONGHLITVMA-LSYYVWMOSA-N 531.609 2.790 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cscn3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708614 CQZBHBKVLFNTNM-QIVNQRHPSA-N 688.767 2.568 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)Cc2ccc3c(c2)OCO3)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940195833 PIQFXINNQZGUBS-RUZDIDTESA-N 575.666 2.780 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)NC4(c5cccc(OC(F)F)c5)CCOCC4)ccc3C2=O)C(=O)N1 2325898973 HIIPBCGAEWCVEV-FQEVSTJZSA-N 528.512 2.876 0 50 KFAA CS(=O)(=O)N1CCCCN(C(=O)[C@H]2CC(=O)N(c3nccs3)C2)CCCn2ccnc2-c2cccc(c2)OCC1 2356134264 GRRQURJVWNOPNW-QFIPXVFZSA-N 586.740 2.713 0 50 KFAA Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCOc4cccc(c4)CC[C@H]4CCCCN4C(=O)C3)ccc21 1857705738 SVVBEEQYUCXGHZ-OAQYLSRUSA-N 526.659 2.664 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2onc3ncccc23)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857739694 OQIPJKPWXCDLCN-LADGPHEKSA-N 640.657 2.829 0 50 KFAA Cn1c(=O)c2c(nc(SCC(=O)NCCc3ccccc3)n2Cc2ccc(Br)cc2)n(C)c1=O 720463 NRHOGANMVGXXMC-UHFFFAOYSA-N 542.459 2.696 0 50 KFAA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1I 16226937 FHEQPPMGBJRIEL-UHFFFAOYSA-N 502.330 2.573 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cn3c(C)cccc3n1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772700364 DELPZPMYMVIKOM-NEEKEDPPSA-N 641.777 2.526 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(Cc2cnn(C)c2)CCNC(=O)COc2ccc(cc2OC)C1 1857706655 YJKZTALVNBYLLV-HKBQPEDESA-N 585.746 2.864 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)Cc1csc(C)n1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533240 HFPMRXKAQRUVIK-HHHXNRCGSA-N 582.727 2.825 0 50 KFAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1 253487155 GAZDXIGXYWVWQX-GUKMAJMOSA-N 643.774 2.715 0 50 KFAA CCc1c(O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)ccc(C(=O)Cc2ccc3c(c2)OCO3)c1O 253497418 VBEJBERDNOPXME-SPLDPELNSA-N 630.599 2.571 0 50 KFAA C[C@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@@H]3[C@H]5[C@H]6[C@H](CC[C@H]6[C@H]31)O[C@@H](N1C(=O)CCC1=O)[C@@]54C)O[C@@H]2N1C(=O)CCC1=O 253596817 WHKWKQIREHTRPI-GNNDCTTASA-N 520.626 2.551 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772701916 POVCYFUEXBLZIE-CRIVUMTGSA-N 773.980 2.854 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCn1c(O)nc3ccccc31)CCCCNC2=O 1857707085 YWRLZSIAJJNYCP-HIFCGXMBSA-N 801.898 2.617 0 50 KFAA COc1ccc(Cl)cc1C(=O)N1CCCC(=O)N(CC(C)C)CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857725844 PMPAOWGECRNRME-NRFANRHFSA-N 601.148 2.548 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)c2oc(C)nc2C)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704321638 DEQLLESOPHULEB-WIDQKRBRSA-N 782.990 2.696 0 50 KFAA CCn1nc(C)c(CN2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1C 1704323607 WWLULLGFWBHDNW-IGKIAQTJSA-N 533.629 2.599 0 50 KFAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3CNC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](C2)O3)cc1F 1857707580 DVYIBQKPSFNGTO-NHKREWQHSA-N 699.824 2.781 0 50 KFAA CCCOc1ccc(S(=O)(=O)NCC[C@H]2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 13916432 IYFNEFQTYQPVOC-QGZVFWFLSA-N 516.668 2.828 0 50 KFAA world Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1 147513579 GOFXWTVKPWJNGD-UWJYYQICSA-N 532.070 2.967 0 50 KFAA investigational COC(=O)C[C@@H](c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O)c1coc2ccccc2c1=O 225421280 VGINYLMYXJCFFL-LVCYWYKZSA-N 544.560 2.928 0 50 KFAA biogenic Cc1cc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c2c(C)noc2n1 952864556 IVJZFYCKLVSNAA-UNMCSNQZSA-N 551.991 2.707 0 50 KFAA COc1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(C(=O)Cc2cccs2)CCCNC(=O)c2ccc(OC)c(c2)O3)ccn1 1704321984 JUUZCJJQWCARDD-AHWVRZQESA-N 649.770 2.924 0 50 KFAA COc1ccc(C2(C(=O)N[C@H]3CCCCNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](C)NC3=O)CCCC2)cc1OC 1704339424 FUJPSZYMTRQGBY-BSKFCMQXSA-N 844.023 2.507 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CC2CC2)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713456 KCBVNSBTWUPPJM-NSUOEHBNSA-N 783.931 2.562 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc3c(nc2O)CCCC3)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775982321 OMJJFPNLONTWMG-LGGPFLRQSA-N 647.777 2.815 0 50 KFAA CNC(=O)[C@@H](c1cccc(C(=O)OC)n1)N(C(=O)C[C@H]1CCCC(=O)N1)C1CC[Si]2(CCCC2)CC1 2325839056 HQMYCTMEPIYBAH-HOYKHHGWSA-N 514.699 2.948 0 50 KFAA Cc1cc(C)n(CC(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(C(=O)CCc4cccnc4)CC(=O)N[C@H]3C2)n1 2356162119 YISVYSUTWCYNOO-IZLXSDGUSA-N 558.683 2.640 0 50 KFAA COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OCc3ccccc3)[C@H]2OC(C)=O)cc1 72099459 MDZXNXKMNWQSDZ-WSGIOKLISA-N 502.516 2.811 0 50 KFAA in-vitro COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 105258991 IXCARTVRIQMLNJ-NRFANRHFSA-N 547.516 2.922 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCC(C(=O)O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 253406448 IXXSVIZARPWVBF-AOMKIAJQSA-N 567.639 2.987 0 50 KFAA biogenic Cc1nccn1CC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 952862921 NQQMCRJVGUMPMD-RRPNLBNLSA-N 545.640 2.691 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cn(C)c3ccccc23)CCNC1=O 952863956 WPTQOVUOAJYWGX-RKYHASQBSA-N 721.259 2.717 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1c(F)cccc1OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704322960 QTZPHTWPXZBECK-AZRGUZCDSA-N 733.838 2.847 0 50 KFAA CCn1ccc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)n1 1772817442 PKMYUTPZNMHRIJ-OFVILXPXSA-N 618.720 2.760 0 50 KFAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)CCSc1ccc2c(c1)OCCO2 1857708785 NENSORHALAHRGX-RBUKOAKNSA-N 543.617 2.767 0 50 KFAA O=C1NCCCN(C(=O)c2ccc(OC(F)F)cc2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875242260 PWWQGSOCMCLPKE-ZCYRUUNBSA-N 524.568 2.977 0 50 KFAA COc1ccccc1-n1cc(CN2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)cn1 2100533405 NPPHJYCAAJJFEA-CCWBYCOLSA-N 598.748 2.946 0 50 KFAA Cn1ncc2c(N3CCN(C(=O)[C@@H]4C[C@@H](n5cc([C@@H]6CCCN6C(=O)OC(C)(C)C)nn5)CN4C(=O)OC(C)(C)C)CC3)ncnc21 2325879922 MHUHKXDGCSVZPT-QDSKXPNFSA-N 651.773 2.926 0 50 KFAA CS(=O)(=O)N(C/C=C\CN(C(=O)OCc1ccccc1)S(C)(=O)=O)C(=O)OCc1ccccc1 43763378 RLJYIEFMZKPQCP-KTKRTIGZSA-N 510.590 2.739 0 50 KFAA CC[C@@H](Cc1c(I)cc(I)c(O)c1I)C(=O)NCC(=O)O 97976902 CARJRHXMKCWDMC-LURJTMIESA-N 628.970 2.976 0 50 KFAA CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@@H]4CC[C@]5(C)[C@H]6C[C@H](O)[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O 253505063 HWKJSYYYURVNQU-OZOZPKEVSA-N 822.986 2.789 0 50 KFAA biogenic CCOC(=O)N1CCN([C@@H]2c3ccccc3C(=O)N2CCN2C(=O)c3ccccc3[C@@H]2N2CCN(C(=O)OCC)CC2)CC1 334163590 YFUSNHBFPJDYGE-HNRBIFIRSA-N 604.708 2.844 0 50 KFAA CC(C)C[C@H](N)C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772817954 KJWSFLJBFKSMQL-WATLYSKOSA-N 609.753 2.604 0 50 KFAA CC[C@H](N)C(=O)N1CCCNC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1800430267 AOEFGBRENHYOHM-SKPFHBQLSA-N 611.794 2.826 0 50 KFAA CCOC(=O)c1n[nH]cc1C1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)CC1 2325872810 NQVCWZYNKUFALZ-HNNXBMFYSA-N 503.987 2.810 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 100657316 JLPUHKTWXUMQGL-ISJGIBHGSA-N 527.687 2.856 0 50 KFAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)Cc2nc(-c3ccccc3)oc2C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704318680 QVKGJAFCABGQJF-BVXVRMPYSA-N 690.867 2.646 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1ncccc1O)CCNC2=O 1875241371 BVEFRLGMGKUBDR-HHHXNRCGSA-N 613.675 2.832 0 50 KFAA CCOc1ncccc1C(=O)N1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CCC1)c1ccccc13 2100532906 KFPJAJLKRQNLBG-YOLRXJNRSA-N 517.630 2.559 0 50 KFAA CCOCCOc1cccc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)c1 952858186 XEGWFYHHGMJVNE-VWLOTQADSA-N 640.778 2.828 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)CCSc1ccc3c(c1)OCCO3)CCCNC(=O)[C@@H](C)NC2=O 1704322459 LDPYZDBMIQSNKT-JOCHJYFZSA-N 622.748 2.976 0 50 KFAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2sccc2Cl)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704339183 DDDCRETWPFHQRQ-KNZZUVOKSA-N 723.296 2.935 0 50 KFAA Cc1nsnc1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772816934 DYBUXOGPVLPLOQ-AVRDEDQJSA-N 622.733 2.704 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccc4c(c3)OCC(=O)N4)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1800430317 LGQXBPKIHREGCW-SZETWRQASA-N 796.922 2.761 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccccn1)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857700069 LIVVTYPOHLRAAT-UKPGIYTDSA-N 599.688 2.612 0 50 KFAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@@H]3CCCCN3C(=O)C2)cc1 1857704004 ZROLETPECBXERM-NRFANRHFSA-N 520.673 2.877 0 50 KFAA COC(=O)CCCC(=O)N1CCNC(=O)c2ccc(OC)c(c2)OCCn2nc(-c3ccccc3)nc2[C@@H](C(C)C)NC(=O)C1 1857724853 PUPMXMIMWGDFND-GDLZYMKVSA-N 620.707 2.761 0 50 KFAA COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)Cn3ccnc3C)CC[C@@H]1OCc1cccc(c1)O2 952857595 ZFYILXFZSQRFIX-SVBPBHIXSA-N 561.639 2.819 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCN3CCCCC3=O)C[C@@H]1NC(=O)CN(C)C2=O 952863496 AHUHOOWZQMAWKF-IZZNHLLZSA-N 562.667 2.878 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1cc2c(nc1OC)CCC2 2100532886 IMEQIQBFHIDDAM-XZOQPEGZSA-N 564.683 2.771 0 50 KFAA NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 2325842933 NCJAELRZZDHLAS-YJYMSZOUSA-N 525.414 2.623 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 6488355 OAZZDUNWYIJDPF-JGTYQCAFSA-N 524.595 2.833 0 50 KFAA O=C1C[C@@H](C(=O)Nc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)NC(=O)N1 97972166 TYZSMQUWFLKJFB-ZEQRLZLVSA-N 542.548 2.758 0 50 KFAA in-vitro CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@]13CC[C@@H](C[C@@H]1O)C3(C)C)[C@@H](O)C2 215853299 KVVHJCZXSZVOLS-XFEVCEFQSA-N 546.796 2.511 0 50 KFAA CNc1cc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)ccn1 952865161 ULFXYCSTSMQZBX-VMPREFPWSA-N 601.704 2.989 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cnc(-c4ccncc4)nc3)C[C@@H]1NC(=O)CC2 1772713102 CWOUMUXUXKOISQ-WNJJXGMVSA-N 608.655 2.577 0 50 KFAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3C[C@@H]4NC(=O)CCc5ccc(c(OC)c5)OCC(=O)NCc5ccc(cc5)O[C@H]4C3)CC2)c1 1772714170 DBSNLLPOJBGXSZ-VBTAUBHQSA-N 700.789 2.981 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cc(C)no3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714202 FPKYUNIUUZXVHD-KYVYNOIWSA-N 730.863 2.727 0 50 KFAA COc1ccccc1CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CCC1)c1ccccc13 2100533066 XYZUREWDCDPZFN-MFYCAMOKSA-N 516.642 2.703 0 50 KFAA C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](OC(=O)CCC(=O)O)CC[C@]34COC(=O)CCC(=O)O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253487756 PORLQGCIBQPFNX-SVSWAYFESA-N 606.665 2.523 0 50 KFAA biogenic CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253530375 VXHVFDQYSSFKAR-UDPNUICNSA-N 622.840 2.900 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263584949 CIQKZIICWTZMRM-AHWVRZQESA-N 644.791 2.793 0 50 KFAA biogenic CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CCc2c(C)nn(C)c2C)CCNC(=O)COc2cc(ccc2OC)C1 1775978796 VVQHTKRJSPKJGS-UMSFTDKQSA-N 639.794 2.804 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)COC)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952865607 SQFUEIKEXKARFG-IZZNHLLZSA-N 583.682 2.548 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cccc(N)n2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817169 IHZWDPNGMULMHN-CPJSRVTESA-N 616.704 2.521 0 50 KFAA CCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)c2ccccc21 100722100 ZQLIWUTYZGTHMZ-ORDRXGECSA-N 613.648 2.974 0 50 KFAA CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)O1 253530374 VXHVFDQYSSFKAR-SSGGCFLJSA-N 622.840 2.900 0 50 KFAA biogenic CCOC(=O)CNc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(O)nc1=O 254569937 YIBGABDTNWKKJI-KGSXXDOSSA-N 658.620 2.525 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)N2CC(O)C2)NC1=O 952855941 UVGWABHZBQNBIY-JBOQNHBVSA-N 598.700 2.595 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)C(C)(C)OC)CCNC(=O)COc2ccc(cc2OC)C1 1857690596 GIARVHXZMOYNJR-HKBQPEDESA-N 591.746 2.882 0 50 KFAA O=C(N=c1ccn(Cc2cn3ccccc3n2)[nH]1)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 1875350906 FAZMMTRFPKIMAJ-UHFFFAOYSA-N 528.554 2.636 0 50 KFAA Cn1cccc1C(=O)N1CCCCN(C(=O)[C@H]2CCC(=O)N2)CCCOc2cccc(c2)-c2nccn2CC1 2356139409 QPJNFCYADLYODC-XMMPIXPASA-N 532.645 2.701 0 50 KFAA O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 18123082 XUMDLSPMECLYGW-TZRRMPRUSA-N 503.599 2.846 0 50 KFAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 83253953 RPKGEWXJAQIRCK-UHFFFAOYSA-N 538.675 2.566 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc[nH]c1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1800430579 SLCVKSPMQKDMMX-DEOSSOPVSA-N 523.590 2.669 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(Cc2cnn3cccnc23)CCNC(=O)COc2cc(ccc2OC)C1 1857704947 MDDOXZXUQUCCDM-YTTGMZPUSA-N 606.724 2.537 0 50 KFAA Cc1nc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)Cc4cccnc4)CCNC(=O)[C@H]3C2)cs1 1875241940 HSCOXLRNEYCJAA-RPWUZVMVSA-N 533.654 2.672 0 50 KFAA Cc1nc(C)c(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)s1 2356139015 JOWHCWJMEHLIBL-BKCZMFJTSA-N 507.660 2.839 0 50 KFAA CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCN2CCCC[C@H]2C)C(=O)CS3)CC1 8583418 WPIISYADMORYSX-HXUWFJFHSA-N 522.737 2.927 0 50 KFAA COC(=O)[C@H]1O[C@@H](Oc2ccc(OC)cc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1O 221528474 SVZFDJBZNSXZKA-SXFUUEIQSA-N 522.506 2.784 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cc4c(nc3OC)CN(C(C)C)C4=O)C[C@@H]1NC2=O 1704318136 OGCDBBGKEPFVTJ-WNJJXGMVSA-N 615.687 2.533 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cnc(-c3ccccn3)nc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772706902 VDOWMLNZZHAMOE-SGQICDRISA-N 740.866 2.889 0 50 KFAA COCC[C@@]1(C(=O)NCc2nc(C(C)(C)C)cs2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242361 OQENDTORJGXYET-PMERELPUSA-N 587.787 2.707 0 50 KFAA Cn1c(=O)c2c(nc(SCc3nc(N)nc(N4CCCCC4)n3)n2Cc2ccc(C(C)(C)C)cc2)n(C)c1=O 33354783 AUUDMGKJGXITBW-UHFFFAOYSA-N 549.705 2.829 0 50 KFAA COc1cc2c(cc1OC)CN(C(=O)[C@@H](NC(=O)N1C[C@@H]3C[C@H](C1)Cn1c3cccc1=O)C(C)C)CC2 225406515 WOCVKXMBIPHLPV-JDITYXQVSA-N 508.619 2.604 0 50 KFAA biogenic CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 252441450 WIGHCPZBXOGLKE-USPPYVCYSA-N 780.993 2.882 0 50 KFAA Cc1nnc(CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)s1 1772702762 XMMNFVQQTFGJOQ-DQEYMECFSA-N 549.653 2.706 0 50 KFAA COc1ccnc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)c1 1772817487 NEUVSVJAHNCLDS-LVXARBLLSA-N 631.715 2.948 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3cc(C)c(OC)cc3C)C2)nn1 102311418 BTCVEBNYDRYUEA-RSXGOPAZSA-N 550.635 2.994 0 50 KFAA CC(C)C[C@H](NC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 150497852 VPLVCZMHOMKTLU-WMPKNSHKSA-N 652.840 2.893 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCn3c(CO)nc4ccccc43)c(=O)cc1[C@@H](NC(C)=O)CC2 263586694 WYRKHLFFEPEXGT-QHCPKHFHSA-N 615.687 2.933 0 50 KFAA biogenic CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2coc(CN)n2)CCCNC(=O)c2csc1n2 1772817497 NLANETVYYOUWFU-DFBJGRDBSA-N 650.787 2.849 0 50 KFAA CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@]45CCN4CC=C[C@](CC)([C@H]45)[C@@H](O)[C@@]3(O)C(N)=O)C2)C1 247964890 HHJUWIANJFBDHT-ZGRBKZOZSA-N 753.941 2.732 0 50 KFAA O=C1N[C@@H](Cc2ccccc2)C(=O)NCCCN(C(=O)C2CCNCC2)Cc2cn(nn2)CCCOc2ccc1cc2Cl 1704323059 OLYMZKCMSKJJJY-MHZLTWQESA-N 608.143 2.590 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)Cn2c(C)cc(=O)c3ccccc32)CCCNC(=O)COc2ccc(cc2)C1 1857705390 FRLJDWVUHJRARF-BHVANESWSA-N 662.784 2.762 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 2987341 KUNXZDXYCPUDJW-DKOMQPSQSA-N 524.595 2.833 0 50 KFAA CCOC(=O)C[C@H](NC(C)=O)c1cc(I)c(O)c(I)c1 25560811 SGNJQGVFLLLDGC-NSHDSACASA-N 503.074 2.732 0 50 KFAA COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1Cl 59620417 NXGLSSZIJVXNQF-LJQANCHMSA-N 536.050 2.822 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)C3CCN(CC(N)=O)CC3)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952856303 XGSOPQOBVBKLIV-KYJUHHDHSA-N 635.762 2.541 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1csc3c1CCCC3)CC(=O)N[C@H]2Cc1ccccc1 1704331143 KUESODCTJJDGCF-RFLWCCGPSA-N 619.792 2.728 0 50 KFAA CC(=O)O[C@@H]1[C@H](O)CO[C@H](O[C@@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)[C@@H]1OC(C)=O 1775966684 TZHGYWCJIXHMJK-DPRDWFMYSA-N 839.029 2.505 0 50 KFAA COCCC[C@@]1(C(=O)N2CC(c3ccncc3)C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705901 ZWWZFNWEDBLAMD-UMSFTDKQSA-N 610.715 2.951 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(-c4ccccn4)[nH]n3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857706447 SGBMXHATJGSJPH-PLHCOWCMSA-N 748.801 2.896 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3nn(C)c4ccccc34)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857709096 DZUQFFNKXLTSGN-HAKFMSMRSA-N 735.802 2.998 0 50 KFAA COCC[C@]1(C(=O)NCc2ccc(C)c3ncccc23)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242419 RGWGJVOBOOGJDL-MGBGTMOVSA-N 589.737 2.810 0 50 KFAA Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)cc1 1875350840 BUJDNELWPSPFNK-LJQANCHMSA-N 525.573 2.850 0 50 KFAA COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4C)c(=O)n32)ccc1O 2785905 ABBZWXARCWKTSJ-LYRGBEMXSA-N 515.595 2.630 0 50 KFAA Cc1cc(C)n(CC(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 952861790 HAMNHSXXGKBNRD-IZZNHLLZSA-N 545.640 2.989 0 50 KFAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4cccc(Cl)c4n3)CN2C(=O)[C@H](C(C)C)NC1=O 952870150 WANPREFRURHTFF-SFUUDZQWSA-N 750.322 2.732 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1cc(CC(C)C)no1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704326395 BTJLBWRQOMIYEL-FHFPRHJOSA-N 732.879 2.886 0 50 KFAA CCCc1ccc(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)o1 1704326551 GSRXBOHKNQGSRS-IZJLGPICSA-N 707.898 2.827 0 50 KFAA CCn1ncnc1CN1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704334281 HHWDKBTVZJTOTF-TZFWCWEWSA-N 644.821 2.587 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccncc2F)CCNC(=O)COc2cc(ccc2OC)C1 1857702917 IJYKAITZQNNXLL-WJOKGBTCSA-N 598.672 2.669 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)c2coc(CN)n2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857704578 XZAXOFMBVVXZNN-QFIPXVFZSA-N 624.670 2.640 0 50 KFAA Cc1nc(-c2cccnc2)ncc1C(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1940195135 MSEFKUFKLQNTKU-DINANHODSA-N 551.651 2.536 0 50 KFAA Cc1c([C@H](C)NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cnn1-c1ccc(F)cc1 2325877418 QPVBDOWZFDOTLB-RBZFPXEDSA-N 525.400 2.599 0 50 KFAA Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2F)cc1 645977 NLROOASIFMJPEJ-UHFFFAOYSA-N 547.630 2.989 0 50 KFAA CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCCCN2CCCC[C@@H]2C)C(=O)CS3)CC1 8583417 WPIISYADMORYSX-FQEVSTJZSA-N 522.737 2.927 0 50 KFAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCc3noc(Cn4ccccc4=O)n3)CCN(Cc3ccccc3)CC2)o1 1776111714 MPMPGJKNJIRBTJ-UHFFFAOYSA-N 559.623 2.530 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)c3cccc(-n4cnnc4)n3)C[C@@H]21 1875242027 JPHMEFKHGXSGOK-PZJWPPBQSA-N 526.553 2.839 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cn3cc(Cl)ccc3n2)CCNC1=O 952865288 VVSSITVTNZRHBM-ZKIDBMNQSA-N 742.665 2.527 0 50 KFAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cn3nc(C)c(C)cc3=O)C[C@H]1NC(=O)CC2 1616068031 SNZAQBJNHLNWPW-RPBOFIJWSA-N 546.624 2.910 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3ccncc3)C[C@H]2C(=O)N1 1704323411 VMPCNLPQMFSRHT-AOCBXUSMSA-N 572.710 2.951 0 50 KFAA CN(C)c1ccc(C(=O)N2C[C@H]3c4cccc5c4OC[C@@]3(CNC(=O)CN(C(=O)c3cccn3C)CCCO5)C2)cc1 1875241140 PBKYJKDLRFHOAJ-ZOYWYXQUSA-N 571.678 2.751 0 50 KFAA Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3c(I)cnn3C)cc2)c1C 1019025 KKRSFCQSWXZOIO-UHFFFAOYSA-N 501.306 2.683 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccc[nH]3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704299307 QEIMAMQXWARHNS-QHWQCBGESA-N 782.943 2.592 0 50 KFAA CCN1C[C@H](C(=O)N2CCCNC(=O)c3ccc(c(OC)c3)Oc3cccc(F)c3CNC(=O)CCC2)CC1=O 1704321861 BQYHXNHPSPQQDZ-HXUWFJFHSA-N 554.619 2.854 0 50 KFAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)ccc21 8603639 XNJXRJQCPMDVAJ-QGZVFWFLSA-N 519.023 2.534 0 50 KFAA COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225415038 KGVVIKQKTALVIT-KAGYGMCKSA-N 594.617 2.764 0 50 KFAA biogenic CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O[C@@H]2C[C@H](O)CC3=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@@H]6[C@@]5(C)CC[C@@H]4[C@]32C)[C@@H]1O 242547689 KSIVGTKSVYIZEB-GDUJLLAZSA-N 764.950 2.959 0 50 KFAA biogenic,in-vitro COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc(-n3cccn3)cc1)CCCCNC2=O 1857699082 HDBSWSZCHZWFKH-AUMPDRJASA-N 783.883 2.970 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccccc2-n2cncn2)CCNC(=O)COc2cc(ccc2OC)C1 1857703415 LHOHAASDRIGQKZ-UMSFTDKQSA-N 646.745 2.715 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(Cc3cccc4ncccc34)CC2)C(=O)N[C@H]1Cc1ccccc1 952864365 VDPWIPVKVANMAK-NDEPHWFRSA-N 537.668 2.899 0 50 KFAA C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C(=O)O)CC[C@@]2(C(=O)O)CC[C@H]1C 252585412 IIIOQVDDEWZCEQ-WJMBNSPDSA-N 794.976 2.830 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)c3ccon3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857818 VJOLZWMIGGPMAN-DQEYMECFSA-N 518.570 2.788 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CCCCNC2=O 1857689210 UGWVBPGXVNNZFD-UUWRZZSWSA-N 749.843 2.840 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4nc[nH]c4c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708154 HZNGNKAYQXUXGH-ORJBLZHMSA-N 721.775 2.988 0 50 KFAA Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCc2ccccc2-n2cc(-c3cccc(N)n3)nn2)CCCC1 2325842636 DFWPQAKLCBAOCB-UHFFFAOYSA-N 513.606 2.621 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc3nccnc3c1)CCCNC2=O 2356134082 XBKDTBKZWMPDTN-NDEPHWFRSA-N 600.680 2.707 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263586131 QNARQEBFLUQDGZ-QHCPKHFHSA-N 552.672 2.829 0 50 KFAA biogenic CC(C)[C@@H]1NC(=O)CN(C(=O)c2cccc(S(C)(=O)=O)c2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775982766 DNRXVSDASPLSKJ-HOFKKMOUSA-N 678.793 2.948 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCc3ccncc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322412 HLZAPPDATQLSOV-CRCCXPSHSA-N 823.008 2.978 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C/C=C/c2ccc(F)cc2)CCCNC1=O 1704323438 WIPTXOGJUFLFEL-JESVOOEWSA-N 593.744 2.814 0 50 KFAA COc1cc(CC(=O)N2CCCNC(=O)c3nn(CCC(C)C)c4c3C[C@@H](CC4)NC(=O)CCC2)cc(OC)c1OC 2100534101 TYOQVFNRCYEXIQ-JOCHJYFZSA-N 583.730 2.914 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCCOc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](C1)NC2=O 1704321396 MPOQYOKRWBDOBE-RTBURBONSA-N 509.538 2.868 0 50 KFAA CCn1c(C)cc(C)c(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1=O 1772701328 NQJBJXHBGRTQGH-VMPREFPWSA-N 614.699 2.984 0 50 KFAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCOCCOc2ccccc2OCCOCC1 4577495 KMHDWUBIIWOOQM-XKVYUHEQSA-N 668.788 2.768 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 6353900 UYLHRLFVRJFZHM-YOGOOIESSA-N 544.427 2.973 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 9331277 IUFLOROVAODSEO-XPCGLTFESA-N 522.579 2.741 0 50 KFAA CCc1nc(C)c(C(=O)N2C[C@@H]3c4cccc(c4)OCC(=O)N[C@H](CC(C)C)C(=O)N(CCOC)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]3C2)s1 1704316506 SEJYOLFHYDEXTI-IQLXHWPESA-N 746.931 2.864 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)COc2cc(ccc2OC)C1 1857705099 SNSDUUQOJQFTID-UUWRZZSWSA-N 646.745 2.715 0 50 KFAA COc1cc(C(=O)N2CCCCN(C(=O)C[C@@H]3C(=O)N(C)C(=O)N3C)CCCn3ccnc3-c3ccc(OC)c(c3)OCC2)ccn1 2100534154 WAAMPROKXYTVAY-RUZDIDTESA-N 647.733 2.779 0 50 KFAA CCOC(=O)c1sc2[nH]c(CSCCC(=O)N[C@H]3CCN(c4ccccn4)C3)nc(=O)c2c1C 2325875342 OKQFYKNKLJQXMZ-HNNXBMFYSA-N 501.634 2.883 0 50 KFAA CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2ccc(-c3ccc(C(=O)N(C)Cc4ccccc4)cc3)n2cn1 2325900103 KXWNMCICFHIPTL-BVAGGSTKSA-N 511.582 2.595 0 50 KFAA COc1ccc(CN2C[C@@H](COc3ccc4c(c3)CCC4)C[C@@H](C(=O)NCCN3CCNC3=O)C2)cc1OC 200587306 LQPOKHGKGLAWDH-WIOPSUGQSA-N 536.673 2.851 0 50 KFAA CCOC(=O)c1cnc(O)c([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2ccc(OC)c(O)c2)c1O 253496536 LUUHOZXTPDMKON-INIZCTEOSA-N 510.499 2.951 0 50 KFAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)CSC)CC(=O)N1CC2 1704324245 ZQNHFIDLNHEFOE-AREMUKBSSA-N 500.617 2.779 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3cccnc3)C[C@H]2C(=O)N1 1704328332 YULMBFQNNAJIKQ-AOCBXUSMSA-N 572.710 2.951 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCc2ccncc2)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713745 RKQWSAWCHRMIEB-BSWQAURTSA-N 834.979 2.789 0 50 KFAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)CCC2CCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772714221 GFFLFYIUFMVPIU-UEMWQVMZSA-N 716.880 2.627 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)Cc2cccnc2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1800412032 UTNPKLRHLVHBPY-CUNXSJBXSA-N 615.716 2.868 0 50 KFAA COCCC[C@]1(C(=O)N2CCCC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857698394 OWGZTXSQSBKHQH-SSEXGKCCSA-N 547.656 2.553 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1=O 2356137589 QQEACSUAPATVAH-XIFFEERXSA-N 639.819 2.657 0 50 KFAA CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1 253503615 PUSBLAHHWCDZSD-JQJQCRJCSA-N 645.614 2.586 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc4nc(C)c(C)nc4c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319380 VTXAFZIRVUUPAP-MAXMHOBESA-N 687.842 2.615 0 50 KFAA COc1ccc2cc1OCCN(C(=O)COc1ccc(F)c(Cl)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322104 FQJZHXJOLJLXHH-HHHXNRCGSA-N 602.063 2.908 0 50 KFAA O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 5062927 LZSHROARPRLUKT-AREMUKBSSA-N 575.618 2.781 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 252548589 QEGVMYVOHMNRJM-OOWIMERYSA-N 672.735 2.786 0 50 KFAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(Cc3ccc(N(C)c4ccccc4)cc3)C[C@@H](CNC1=O)O2 1857698937 BAULXJMYQICPPG-KMKAFXEASA-N 668.839 2.871 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cc3c(nc1OC)CCC3)CCCCNC2=O 1857700892 AMOGXXYCCPDMLE-YQQMXWFASA-N 788.899 2.677 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)CCNC2=O 1875251655 QPEBJGICENJCPP-OAQYLSRUSA-N 673.752 2.529 0 50 KFAA O=C(Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1)NC1CCCCC1 1875328504 VRXADHSWIORVIH-UHFFFAOYSA-N 550.685 2.946 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cnn(C(C)C)c3)C[C@@H]1NC(=O)CC2 1772713671 OJRGTBHOETXFPO-IGKIAQTJSA-N 561.639 2.502 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(S(=O)(=O)c1cc(-n3cccn3)ccc1OC)CCCCNC2=O 1857699804 YWMMWZVTVCOJDV-WRORMCJSSA-N 849.964 2.528 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)C2CCOCC2)CCNC(=O)COc2ccc(cc2OC)C1 1857702625 FAYRHBVAEDHMOZ-JGCGQSQUSA-N 603.757 2.884 0 50 KFAA CC(C)n1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)c1 2325875864 DHZUAGPEPNYOFW-UHFFFAOYSA-N 511.851 2.575 0 50 KFAA O=C(c1nn([C@@H]2CCCN(CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 112940937 FYGDHTMAQTVJIR-HXUWFJFHSA-N 546.665 2.903 0 50 KFAA COc1ccc(CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cn1 952865846 YHPBUTLOXWHRPS-NDEPHWFRSA-N 613.719 2.675 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccc3nccnc3c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704316730 BXYNUTSLJZICLX-FXESGQFUSA-N 737.858 2.643 0 50 KFAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)CCCC1=O)C2 1857724062 KKUFBQKCRXKOKE-MHZLTWQESA-N 680.810 2.777 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)CCS(=O)(=O)c2ccccc2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875241235 RDMYJKNDFCSRCI-HSZRJFAPSA-N 585.771 2.758 0 50 KFAA CCOc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2cccc(F)c2)(C(F)(F)F)C(=O)N3)cc1OCC 2192640 XPDZWLUDUSRJOL-RUZDIDTESA-N 564.492 2.856 0 50 KFAA C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O 100732483 MINDHVHHQZYEEK-ZFTZUSJSSA-N 500.629 2.593 0 50 KFAA biogenic NC(=O)C[C@@H](c1cccc(Br)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 409413857 LEDOXMJBMMGSRT-SYNHAJSKSA-N 540.414 2.896 0 50 KFAA biogenic COc1ccc2cc1OCCN(Cc1nc3ccccc3[nH]1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704310456 XSUXRLPVPIANQC-HHHXNRCGSA-N 545.644 2.587 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cc(c1)-n1ccnc1-2 1857724399 BVETXLDOHAPMJB-WNCULLNHSA-N 510.550 2.945 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(CC2CCOCC2)CC1=O 2356134069 WLXJSCKNMOHYTA-SSEXGKCCSA-N 526.722 2.848 0 50 KFAA CCOC(=O)c1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1NC(=O)c1c(Br)cnn1C 1136951 XOFNSLLQHPUODU-UHFFFAOYSA-N 520.340 2.983 0 50 KFAA COc1cc(OC)c(C2=NO[C@@H](C(=O)Nc3cc(C)n(CC(=O)NCc4ccco4)n3)C2)cc1Cl 16424891 DASILCIPYOTHBM-HXUWFJFHSA-N 501.927 2.903 0 50 KFAA COC(=O)Cn1c(=O)c(NC(=O)c2ccc(OC)c(OC)c2)cc2c(=Nc3ccccc3C)nc[nH]c21 390834908 QEILORTYQLATGJ-UHFFFAOYSA-N 503.515 2.708 0 50 KFAA CC(C)c1csc(CN2CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c3csc(n3)[C@H](Cc3ccccc3)NC(=O)C2)n1 1704316217 KUKGZDHSZIOMBB-TXUMSWNFSA-N 724.954 2.861 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)C1CCOCC1)CC(=O)NCCOc1ccc3c(c1)NC(=O)C[C@@H]23 1772713352 HUTZRNQNQVGMFH-QHCPKHFHSA-N 537.613 2.702 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)COc3ccc(F)cc3F)C[C@@H]1NC(=O)CC2 1772713732 QTYYASSMDZFQKI-CUBQBAPOSA-N 595.599 2.768 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)COc4ccc(Cl)cc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100534100 TXRPRVHSHNWYQK-OTUXKISRSA-N 581.113 2.810 0 50 KFAA O=C(N[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl)c1ccccc1I 3137488 UPFOXNIZYRRBPG-LBPRGKRZSA-N 522.623 2.924 0 50 KFAA Cc1cc(=O)oc2cc(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O)ccc12 5273755 RIYLNECMTVNMSO-XZOQPEGZSA-N 551.596 2.869 0 50 KFAA O=C(N[C@H]1C[C@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N2C1)c1cccnc1Oc1ccc(Cl)cc1 14745577 USNQFCQSTVPXAL-WTOYTKOKSA-N 506.946 2.673 0 50 KFAA COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225423866 QBIROGRCIAFLGI-LMNJBCLMSA-N 566.607 2.847 0 50 KFAA biogenic CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497379 IKJNNQJEFRCUHB-DGKNVCCWSA-N 568.531 2.922 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 409413117 CSYVSOAOHJUQBX-RBZQAINGSA-N 544.693 2.686 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952867297 MJKWTTSZOWZRLC-WNJJXGMVSA-N 595.693 2.548 0 50 KFAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCc1scnc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704323247 DVNWKJVNOWHRMB-AZRGUZCDSA-N 734.920 2.784 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)COCc3ccccc3)C[C@@H]1NC(=O)CC2 1772713202 HGSVMIMHFBEWTO-WNJJXGMVSA-N 573.646 2.628 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)Cc1cnc3c(C)cccn13)CCCCNC2=O 1857706756 PQZBTRBVYNUAGC-AUMPDRJASA-N 785.899 2.670 0 50 KFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCC(=O)N(CCCO)CC(=O)N[C@H]2CCc3c(c(nn3CCC(C)C)C(=O)NCC1)C2 2100533203 FUVYCCAZRHSDBL-SANMLTNESA-N 661.804 2.743 0 50 KFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 59595786 CTPUJQXZDZUJCN-UHFFFAOYSA-N 569.611 2.865 0 50 KFAA CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1 248138709 PUSBLAHHWCDZSD-UHSBVLBFSA-N 645.614 2.586 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253412446 RAIQXJQXNGXAAS-SWGGMNADSA-N 601.722 2.603 0 50 KFAA biogenic Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@@H]2C1 1615703765 JQGWWZGCVCKQID-JSOSNVBQSA-N 641.773 2.650 0 50 KFAA COCC(=O)N1CCCC(=O)N[C@@H](Cc2ccccc2)c2nc(c(C)o2)C(=O)N[C@@H](C(C)C)c2nc(cs2)C(=O)NCC1 1772818133 MZDOVYINAOVTLV-OFVILXPXSA-N 610.737 2.965 0 50 KFAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(Cc1cccnc1)CCNC3=O 1775981295 CRKDAYXQQXFPPZ-NEEKEDPPSA-N 666.827 2.614 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cnc3ccccn3c1=O)CCNC2=O 1857726481 SWVRBIHWQHNZDR-SSEXGKCCSA-N 664.723 2.740 0 50 KFAA CC(C)CCN1C(=O)CCCN(C(=O)c2coc(CN3CCOCC3)c2)CCCNC(=O)c2nn(C)c3c2C[C@H]1CC3 1875241609 CHEZSBPZGOXNEI-XMMPIXPASA-N 582.746 2.633 0 50 KFAA COc1ccc(OC)c(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)c1 1118250 CBIPZPPJWRJULI-UHFFFAOYSA-N 533.628 2.934 0 50 KFAA CCC[C@H](C)C[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 257372311 GPIYLYZFGAXYSU-ORRJXISJSA-N 721.838 2.564 0 50 KFAA in-vitro CC(C)CC(=O)N1CCCN(C(=O)c2cnccn2)CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1F 1704342634 PBIBMADVBPKNGL-OZXSUGGESA-N 584.668 2.584 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCn3cnc4ccccc4c3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772714536 WCNNSBSFHIOHGW-CONSDPRKSA-N 637.693 2.672 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)C1CCNCC1)CCCNC2=O 1772714596 YNTLHZNKIONZPH-UHFFFAOYSA-N 526.609 2.985 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(Cc1cncnc1)CCNC2=O 1875242144 KIIRJBXAQNYNOS-MUUNZHRXSA-N 584.681 2.882 0 50 KFAA O=C(NCCOCC1CCCC1)[C@@H]1CCCN(S(=O)(=O)NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C1 1875342191 CDMLYEXIVPPQTI-GUDVDZBRSA-N 511.607 2.751 0 50 KFAA CCc1nccn1CCC(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 1940193634 UMWOEIRNIJEBOS-RUZDIDTESA-N 563.703 2.658 0 50 KFAA CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCS(=O)(=O)N(C)C 253412884 SJQIKWKMSNUIDC-CLAHJSNCSA-N 632.780 2.697 0 50 KFAA biogenic COc1cc2ccc1CNC(=O)C1(CCN(C(=O)CCn3cnnn3)CC1)Oc1ccc(cc1)OCCNC(=O)c1ccc(OC)c(c1)O2 1772817311 BYCBXYWBXSPQLS-UHFFFAOYSA-N 671.711 2.752 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1CCOCC1)CCCC(=O)N[C@H]2Cc1ccccc1 1772817655 TVSNZBVUEMXJCY-CUBQBAPOSA-N 665.817 2.651 0 50 KFAA CCOc1ncccc1C(=O)N1CCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccccn3)C[C@@H]2C(=O)NCC1 1875240281 PEVYOFHSVHLZQH-RPBOFIJWSA-N 543.624 2.772 0 50 KFAA CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(c2cc3c(cc2F)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325899437 DSGNSBMFPBBBND-XCZPVHLTSA-N 782.645 2.853 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 631668 DQXUTWTXGXUFON-MFUBYVTQSA-N 524.595 2.833 0 50 KFAA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc2c(c1)OCCO2 1140632 ISZBVBPBUAPGAE-UHFFFAOYSA-N 509.584 2.835 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952862369 LYYWOQVYVMJMLE-PSWJWLENSA-N 697.833 2.537 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)Cc1c(C)nn(-c3ccccc3)c1C)CC(=O)N[C@H]2Cc1ccccc1 1704321807 APTWBBBJECXFEX-XGJRVREISA-N 667.815 2.519 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cncnc3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772704981 VYFSTLYRNCUHLV-VRGUBSQPSA-N 741.890 2.529 0 50 KFAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)c1cccc3c1COC3)CCCNC2=O 2100533017 VDUHAYIAKMFWRE-NRFANRHFSA-N 521.662 2.989 0 50 KFAA CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 4097799 SRPHMISUTWFFKJ-QJNWWGCFSA-N 516.675 2.929 0 50 KFAA biogenic,in-vitro CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21 97957635 RALMJZOFLWPVDS-MYXKAAJQSA-N 569.595 2.957 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC(C)=O)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100839296 LMNGPZMPPLISAV-LNXFQTKESA-N 580.615 2.666 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)ccc2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 101131492 KZYJYJOFLPULNC-QLZLUGFASA-N 586.546 2.570 0 50 KFAA O=C1N=C(O)N(CCc2ccccc2)C(=O)[C@@]12Cc1c(nc3ccccn3c1=O)N1CCc3ccccc3[C@H]12 229974447 ROBDMYVWVHBFNT-QABMSTFYSA-N 519.561 2.866 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2cc(C)nc(C)c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772700370 DGBSSKKQBFDBPV-KYLVVDHQSA-N 704.873 2.977 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccc(C)n(C)c1=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775982112 QJBJMWGLFFCVGA-AREMUKBSSA-N 627.698 2.934 0 50 KFAA COCCC[C@@]1(C(=O)NCCN2CCCCC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857690809 MFUOXBFUNMQAJD-XIFFEERXSA-N 604.752 2.533 0 50 KFAA CN(C[C@H]1COCCO1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 14972342 WARIENQKJPVMLV-AVRDEDQJSA-N 505.571 2.608 0 50 KFAA CCc1nn(C)c(Cl)c1CN1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 952864536 IWAZSDUTHCLIBS-UNMCSNQZSA-N 534.448 2.863 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321477 QDDLYZWEKGHNTN-WZQNMIHXSA-N 633.790 2.721 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cccc(F)c1F)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713485 NIMXAWDHEATEQM-IRPSRAIASA-N 623.705 2.848 0 50 KFAA COc1ccc([C@@H](CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc(C)oc2=O)c(OC)c1OC 263587521 HROZHPKUSWKYAC-MRXNPFEDSA-N 501.561 2.820 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324195 YEAXNYMNWRUXGY-CTZUUEIXSA-N 700.841 2.589 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CCNC(=O)COc2cc(ccc2OC)C1 1857707101 ZMPBHKUNUAPACO-BHVANESWSA-N 675.783 2.539 0 50 KFAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCCCNC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c4cccc(n4)NCCNC(=O)C3)cc2n1 1857740046 FPFXXXDJGBHKPY-VWLOTQADSA-N 704.714 2.854 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CC2CCOCC2)CC1=O 2356136558 ZHJKQEAEZNZMLC-WJOKGBTCSA-N 554.732 2.764 0 50 KFAA COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225415471 DVHIIHAHNYDIGX-LMNJBCLMSA-N 536.581 2.839 0 50 KFAA biogenic CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@H]3CC[C@@]5(C)O)[C@H]12 253389771 CBJPQVLGEQCRAI-BIBBUYCCSA-N 639.786 2.800 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CCO)CC[C@@H]2OCc2cccc(c2)Oc2cc(OC(C)C)cc(c2)C1=O 952859663 ZXPDCKRCLXZRFE-UIOOFZCWSA-N 539.629 2.727 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1csc([C@@H](N)CC(C)C)n1)CCCNC(=O)[C@@H](C)NC2=O 1704321811 ASVJSHICXMEXPZ-OFNKIYASSA-N 596.758 2.839 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3c(C)cc(C)nc3O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322154 IWHRVAJBRGBBDP-NSCCKQAPSA-N 839.007 2.981 0 50 KFAA CCOCC(=O)N1CCN(C(=O)c2cc(C)on2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875241555 BNTMSMWTGGCKNH-JOCHJYFZSA-N 652.749 2.801 0 50 KFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2)cc1OC 59775310 FHAUVPXYTGCBFK-UHFFFAOYSA-N 593.655 2.698 0 50 KFAA O=C1CN(C(=O)c2cn3cc(Cl)ccc3n2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740704 VPERAQIUPQGSBR-SANMLTNESA-N 656.147 2.786 0 50 KFAA COc1cccc(C(=O)N2CCCNC(=O)[C@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)c1C 1875240796 ZUTLMBFXSYKSKW-YOLRXJNRSA-N 502.615 2.692 0 50 KFAA COC[C@H](NCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O)c1ccccc1 2325899999 HKHVTQPVSBAZAY-VXKWHMMOSA-N 520.586 2.564 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(Cc2ccn3ncnc3c2)CC1=O 2356136121 HJNXSBDYEKXIRH-WJOKGBTCSA-N 559.715 2.664 0 50 KFAA COc1ccc([C@H](CC(=O)NCc2cn3c(n2)SCC3)c2c(O)cc(C)oc2=O)c(OC)c1OC 263587520 HROZHPKUSWKYAC-INIZCTEOSA-N 501.561 2.820 0 50 KFAA COc1nc2c(cc1CN1C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C1)C(=O)N(C(C)C)C2 952870092 RRDHTZQYACGWHK-AHWVRZQESA-N 596.088 2.681 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(-c4cccs4)nn3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323069 SYNZMZGFECWMCX-CSZVXOJQSA-N 693.871 2.517 0 50 KFAA C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)N(C(=O)c2ccc3scnc3c2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 1704323251 DZOVZWCZHSTVFD-LNOJOOMQSA-N 679.803 2.698 0 50 KFAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714044 ZPPNORXZOZCKAP-VMPREFPWSA-N 615.687 2.617 0 50 KFAA COC(=O)CN1C(=S)N(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 15799351 FFNNHAFPFNFXHD-GOSISDBHSA-N 504.406 2.991 0 50 KFAA O=C(OC[C@@H]1O[C@H](n2ncc(Sc3nnc(O)nc3O)nc2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 828178938 ZQLMKZLJFPDDIV-NEGYVOTHSA-N 684.643 2.591 0 50 KFAA CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)C=C3C[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3O 1772820349 MLYDZECFCXRQOK-VNYXDCPYSA-N 534.602 2.746 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2cnc3c(C)cccn23)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775978702 HIUFVIZFLUPFBE-CHJDUVSTSA-N 644.777 2.720 0 50 KFAA Cc1nn(-c2ccccc2Br)cc1CN(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2325877748 ZEAVKPRLJSNSNL-FQEVSTJZSA-N 501.381 2.893 0 50 KFAA COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)cc2)nc(OC)n1 6110635 YNBNZXFYMZODIT-LFYBBSHMSA-N 517.564 2.960 0 50 KFAA O=C(NCCSc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 98050445 OXRLJLNPDJKESP-DEOSSOPVSA-N 545.708 2.659 0 50 KFAA CC(C)(C)c1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)nc(O)n1 952857867 RHAGRIJTSOIJIU-UHFFFAOYSA-N 547.660 2.678 0 50 KFAA Cc1cc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)sc1C 952865399 PTUBDBKHNJXXMU-QHCPKHFHSA-N 534.686 2.669 0 50 KFAA Cc1cc(CC(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)cc(C)n1 1772703167 CAYSUUVDWOHGEN-NSJVFKKDSA-N 630.794 2.511 0 50 KFAA O=C(CN1CCN(c2ncccn2)CC1)N1CCCC(=O)N2CCCC[C@@H]2CCc2cccc(c2)OCC1 1857703650 VBIXHTKUBFDQKO-RUZDIDTESA-N 520.678 2.614 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)Cc2ccc(F)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1857705229 YSXSEJCZBFVGGK-JGCGQSQUSA-N 647.766 2.963 0 50 KFAA Cn1cc(Cl)c(C(=O)N2CCCCN(C(=O)[C@H]3CCC(=O)N3)CCn3ccnc3-c3cccc(c3)OCCC2)n1 2356134373 KOJBJEWJBBCVDH-HSZRJFAPSA-N 568.078 2.749 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 13590211 RZDCWQQGTDMBOO-GSOQPGDSSA-N 508.552 2.544 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497391 MJRFCSQUAHKKFK-DYSNXAHPSA-N 626.567 2.693 0 50 KFAA CCSCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952863717 CFARAEOAVYDHQQ-SVBPBHIXSA-N 569.724 2.992 0 50 KFAA CCn1nc(C)c(CN2C[C@H]3c4cccc5c4OC[C@@]3(CNC(=O)CN(C(=O)C3CCOCC3)CCCO5)C2)c1C 1875240351 AZKKYBAHAUNYOS-SUYBVONHSA-N 565.715 2.652 0 50 KFAA Cn1nc(CN=c2ccc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)c(Br)c1Cl 1875353168 LRUFAAUSNUGLQL-UHFFFAOYSA-N 528.839 2.789 0 50 KFAA CCO[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(Br)cc1NCc1ccccc1S(C)(=O)=O 2325823195 JJHFVGXBVIHHTB-NVXWUHKLSA-N 503.440 2.920 0 50 KFAA Cc1nn(C)c(C)c1CCC(=O)N1CCCCNC(=O)[C@@]2(CCCc3ccccc32)NC(=O)CN(CCC(C)C)C(=O)C1 2356137906 DTCPQLBMDBVTCH-XIFFEERXSA-N 592.785 2.931 0 50 KFAA COC(=O)c1ccc(N2CC[C@@H]3Oc4ccc(cc4)CNC(=O)COc4cc(ccc4C)C(=O)N[C@H]3C2)nc1 2356162072 WIJWYUITWKMNBD-ZEQRLZLVSA-N 530.581 2.642 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@H]2C(=O)N1 1704325176 YPYCUEJOBLZNHL-FHOWVKFHSA-N 663.841 2.888 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ccccn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940198150 QVLLMKIUUYPRDK-XMMPIXPASA-N 518.618 2.517 0 50 KFAA COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)N(Cc3ccc4c(c3)OCO4)C2)c1C(=O)OC 102695067 JJTLWCRRPXIIGZ-HKUYNNGSSA-N 553.597 2.756 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(COC)o2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979811 NCMLNAUAQJIXDQ-DCFHFQCYSA-N 610.712 2.575 0 50 KFAA Cc1csc(CNc2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc5nc(O)[nH]c5c4)CC3)c2)n1 1875350837 BTRWLAFYKHOTOD-UHFFFAOYSA-N 512.617 2.792 0 50 KFAA CC(=O)O[C@@H]1[C@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(I)c(=O)[nH]c1=O 150659488 NRUPRHFQGBCWJJ-JVNMPXIPSA-N 648.406 2.670 0 50 KFAA biogenic,in-vitro CCc1[nH]nc(C(=O)N2CC[C@@H]3NC(=O)NCCNC(=O)c4cc(OCCOC)cc(c4)Oc4cccc(c4)CO[C@H]3C2)c1C 952857173 IOOWTCAFAAEFIP-NSOVKSMOSA-N 620.707 2.941 0 50 KFAA C[C@@H]1NC(=O)CCCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)o2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704322048 DMLJEAPDEFQSON-HTAPYJJXSA-N 663.679 2.693 0 50 KFAA Cc1occc1C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)C1 1704325157 XOJRJZIZNLWXOP-PWUSVURUSA-N 746.891 2.648 0 50 KFAA O=C(CN1CSCC1=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21 2325877236 MXSMLRHPQDTFHS-PCRSXPRCSA-N 526.456 2.766 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 14750409 SCKUPBDRWKIHLL-KKUQBAQOSA-N 507.631 2.923 0 50 KFAA CCCCC/C=C\C/C=C\C=C/C=C\[C@H](SC[C@@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)OC 64858754 MIYHBYLJVGQRLI-UCMIBJNGSA-N 637.796 2.919 0 50 KFAA in-vitro O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 150695883 JRLUSGRARXJCNA-UHFFFAOYSA-N 649.734 2.743 0 50 KFAA in-vitro COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)Cc1cccc(F)c1F)CCCCNC2=O 1857703244 NYEDYGNPDOTSLZ-JAZJJNEZSA-N 767.827 2.992 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2ccncc2)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857704092 CYNVGQVCSOKNPT-RUIKBKNUSA-N 720.799 2.700 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1ccc2c(c1)OCO2 2100533104 AJEQKNCXFAVCKR-FCHUYYIVSA-N 537.613 2.607 0 50 KFAA NCCCC[C@@H]1NC(=O)Cc2cccc(c2)OCCNC(=O)CCCN(C(=O)/C=C/c2ccccc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 2356133989 RBLLUIXLPIGXIL-SZPSGSKSSA-N 710.876 2.517 0 50 KFAA Cn1cccc1C(=O)N1CCCCN(C(=O)[C@@H]2CCC(=O)N2)CCCOc2cccc(c2)-c2nccn2CC1 2356139407 QPJNFCYADLYODC-DEOSSOPVSA-N 532.645 2.701 0 50 KFAA CN(C[C@@H](O)c1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 11963897 RVLKNOLNKFJFFE-XMMPIXPASA-N 501.587 2.588 0 50 KFAA CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CCSC)C(=O)O)CC1 252694774 PVGJWUMOTUCBBG-XLAORIBOSA-N 519.730 2.878 0 50 KFAA biogenic COCc1c(CNC(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)c2c(O)cc(C)oc2=O)cnc(C)c1N 263586688 WXSSTINVZZFZMO-SFHVURJKSA-N 527.574 2.950 0 50 KFAA biogenic CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CCn2nc(C)cc2C)CCNC(=O)COc2cc(ccc2OC)C1 1775976950 DJUMFPXHISYTGS-XIFFEERXSA-N 625.767 2.725 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)C[C@@H]1CCC(=O)N1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857699638 XIAUOTDKEGGPEG-SWCXXNJTSA-N 770.884 2.756 0 50 KFAA COCC[C@]1(C(=O)NCCCN2CCCc3ccccc32)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875239843 FQOIUVXCVAKCKR-UUWRZZSWSA-N 607.796 2.596 0 50 KFAA COC1=C([C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)c2cc3c(cc2OC(C)=O)OCO3)C(=O)OC1 8952457 HOYATAVCBCTIKQ-JOCHJYFZSA-N 500.456 2.872 0 50 KFAA COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 409413052 ANGYCMDHRHEFRS-QTJGBDASSA-N 500.640 2.635 0 50 KFAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 824692166 ZXRQMEUUEIZWIF-QUCCMNQESA-N 543.576 2.836 0 50 KFAA biogenic CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(Cc2cccnc2)CCCNC(=O)COc2ccc(cc2)C1 1857705352 DCXYNSVNJKSWFF-SSEXGKCCSA-N 554.688 2.507 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cccnc2)CCCC1=O 2356134589 TTZOVOQIOJBPCW-SSEXGKCCSA-N 533.673 2.657 0 50 KFAA COc1cc2ccc1Oc1cc(ccc1O)CCC(=O)N[C@H](C)C(=O)N1C[C@@H](NC(=O)C(C)C)C[C@H]1C(=O)NCc1nc-2oc1C 2356135990 BOEZZCJNZIKVJD-OUOWLKGYSA-N 633.702 2.965 0 50 KFAA O=C1C[C@@H](N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)C(=O)N1c1ccc(Cl)cc1 22804742 UFEOGUHWCDEDAQ-WOJBJXKFSA-N 501.370 2.575 0 50 KFAA COc1ccc(CCO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)cc1OC 252585998 MSJUZWZZISHWKL-INWJFIRYSA-N 946.905 2.884 0 50 KFAA biogenic CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)c2csc(C)n2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704315965 GOLAXAYIHNTEGD-DXSFLPKESA-N 785.031 2.856 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ncoc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322261 LMOAACDQIKPRIX-NYHWNOQPSA-N 798.942 2.560 0 50 KFAA NS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)C1=O 2325879393 TZLNWPJAKYYUNA-YWWLTNPLSA-N 571.606 2.687 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253409152 LLXXDARGPPHFQP-FPOVZHCZSA-N 573.668 2.597 0 50 KFAA biogenic O=C1CN2C(=O)[C@]3(CCN(CC(=O)N4CCCCC4)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952863895 ZPSUOCINSIVEJK-LMSSTIIKSA-N 502.615 2.629 0 50 KFAA CC(C)C[C@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952865189 NUMGUNBFWIXZCX-DNQXCXABSA-N 553.063 2.902 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCN(C(=O)c1cccn1C)CCCC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC2 1857699407 OVJZXKYTFVWAST-HEIROHQZSA-N 690.798 2.762 0 50 KFAA COc1cc(C(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N2C3)nc2ccccc12 2100533948 MOYNYLMETORSJK-PNNQKZTASA-N 597.716 2.949 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2n[nH]c3c2CCC3)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322344 MMDCIADXRFMIJH-UVCGIMRYSA-N 699.853 2.836 0 50 KFAA COc1ccc2cc1OCCN(Cc1ccc(OC)c(OC)c1OC)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704325404 MQAKVORJHDHQTG-HHHXNRCGSA-N 595.697 2.736 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)c1cnc(C(N)=O)cn1)CCCC(=O)N[C@H]2Cc1ccccc1 1772818065 YCFUKQDKJMLGSM-LVXARBLLSA-N 687.783 2.522 0 50 KFAA COc1ccc(OC)c(C(=O)N[C@H]2CCCNC(=O)COc3cc(ccc3OC)CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)c1 1704316772 CPBROBFGVVJUEH-RLYYAAKVSA-N 745.874 2.717 0 50 KFAA COc1cccc(CC(=O)N2C[C@@H]3c4cccc(c4)OCCN(C(=O)c4ccnc(OC)c4)CCCNC(=O)[C@H]3C2)c1 1875240001 CVYQDDPJPPECMM-IZLXSDGUSA-N 572.662 2.925 0 50 KFAA COc1ccc(CN2C[C@@H](OCc3ccccc3F)CN(C(=O)c3cnn4cccnc34)CC2=O)cc1 14532067 XWKFBNDFZWXJGY-JOCHJYFZSA-N 503.534 2.947 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1ccccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952861615 FVXYJPJQQOGUAI-NDEPHWFRSA-N 583.693 2.666 0 50 KFAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3cc(F)ccc3Cl)CC2)C(=O)N[C@H]1Cc1ccccc1 952863629 CSYWZPVISWANLO-DEOSSOPVSA-N 553.038 2.783 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccc(O)nc2)CCCCNC(=O)[C@@H](C)NC1=O 1704322828 QBAZIVGCULEJGQ-NRSKXHDUSA-N 656.784 2.716 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(Cc2cccnc2)CCCNC1=O 1704323784 UOGYUQFLGYJNCT-SANMLTNESA-N 551.717 2.824 0 50 KFAA Cc1cc(Cl)ccc1OCC(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704323893 JMJQQSYMQDYABR-MUHFHDLTSA-N 768.337 2.648 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN3CCN(c4cccc(C)c4)CC3)C[C@@H]1NC(=O)CC2 1772713124 FCSBRXIJHBJWKE-DITALETJSA-N 641.769 2.542 0 50 KFAA COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)c3cc4c(=O)n(CC(=O)[C@H]5CCOC(C)(C)C5)c(=O)n(C)c4nc3C[C@H]1C)C2=O 1848443423 QLVUEZFBSTZCTL-GXKTYZIESA-N 626.062 2.929 0 50 KFAA O=C1CN(Cc2cc3ccccc3o2)CCCCOc2cccc(c2)[C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2N1 2100533501 SFRFTRDYMQLUMK-FTJBHMTQSA-N 546.624 2.970 0 50 KFAA COCCNC(=O)[C@H](c1ccncc1F)N(Cc1cnn(C(C)C)c1)C(=O)c1cc2c(cnn2C)nc1C 2325850616 CSQLNMCLRUVRHE-DEOSSOPVSA-N 522.585 2.735 0 50 KFAA O=C1CCC[C@@H](CC(=O)N[C@@H]2c3ccccc3C[C@H]2NC(=O)[C@H](O)Cc2cc(Cl)cc(Cl)c2)N1 2325876851 CHMFCPPNQYGCCD-RPLOAYLJSA-N 504.414 2.854 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)c3ccc(Cl)cn3)C[C@@H]1NC2=O 2356161360 RHIWRBGADGOJII-XZOQPEGZSA-N 568.989 2.983 0 50 KFAA O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 1119960 QNVHXUUWLZSTSS-UHFFFAOYSA-N 500.504 2.837 0 50 KFAA Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(=O)n(C)c(=O)n3C)n2Cc2ccccc2)cc1C 1127649 LYTSDSZVEQDZRW-UHFFFAOYSA-N 520.615 2.650 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccn3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323053 SSOIXQBUORWDGC-OVEKGFIISA-N 796.970 2.602 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2cnc3ccccc3c2=O)CCNC(=O)COc2ccc(cc2OC)C1 1857700837 MQMIJEOXNATKED-PSXMRANNSA-N 677.799 2.867 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3onc4ncccc34)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857711182 LZLXMOOFFMXNHI-NLJOHPHHSA-N 723.747 2.647 0 50 KFAA O=C1NCCCN(C(=O)c2cc(C3CC3)[nH]n2)CCOc2cccc(c2)[C@H]2CN(C(=O)CCc3cccnc3)C[C@H]12 1875240686 XIFZJQKCNADZKS-FTJBHMTQSA-N 556.667 2.898 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)N(C)Cc1ccccc1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940196670 ZGDHUBNXKZDAIX-LJAQVGFWSA-N 660.797 2.864 0 50 KFAA COCC(=O)N1CCCOc2cccc3c2OC[C@@]2(CNC(=O)CCC1)CN(Cc1ccc(OC)cc1F)C[C@@H]32 2100533481 QWCQPRDWFAHHTQ-QABMSTFYSA-N 555.647 2.966 0 50 KFAA O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1 1128521 PFYFERFANBZHTO-KRWDZBQOSA-N 500.358 2.782 0 50 KFAA COc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CCOCC1 1196522 BYSBASAOTZIJJC-UHFFFAOYSA-N 502.330 2.573 0 50 KFAA CCCCC/C=C\C/C=C/C=C\C=C/[C@H](SC[C@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)O 64858805 INRWBYPYKPHQHS-MCGFISOXSA-N 623.769 2.831 0 50 KFAA in-vitro Cc1cc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)no1 1704317463 IXEOXUIHNLMLJR-OFQAEJFBSA-N 644.773 2.912 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)Cc1c[nH]c3ccccc13)CCCNC(=O)[C@@H](C)NC2=O 1704321917 IFJRZDLNGCBLIN-OAQYLSRUSA-N 557.655 2.746 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccc(C(C)=O)s3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322845 QQSLGNBKSJWOQK-FDJWOJMMSA-N 669.845 2.807 0 50 KFAA CCCn1cc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(C)C)CC[C@@H](C)CC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCCCC(=O)N3C2)c(C)n1 1704324093 XFUOEKXCVQRNJS-WQHLKDILSA-N 679.863 2.591 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCN(C(=O)c2n[nH]c3c2CCCC3)CCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857702600 OTTNDCGPRNGCIW-REDDFQDCSA-N 763.868 2.907 0 50 KFAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cn3cc(C(=O)C4CC4)c4ccccc43)CN2C(=O)[C@@H](NC(=O)c2c(F)cccc2Cl)CCCCN1 1857706384 IAQGQRAZPRCVIQ-SJMLRFEJSA-N 751.212 2.561 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1cn2cccnc2n1)CCN(C(=O)c1ccon1)CCC(=O)NC[C@H]1CCCN3C1 1875242677 XCNSMIPOZJWCNR-JOCHJYFZSA-N 697.753 2.812 0 50 KFAA COCC(C)(C)C(=O)N1C[C@@H]2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)CO[C@H]2C1 952856770 QRLZGDIFVCWFHJ-UPVQGACJSA-N 509.603 2.758 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(S(=O)(=O)c2cccc3c2OCCO3)CC1=O 2356138014 FAQZXKHTUNRNDV-YTTGMZPUSA-N 626.776 2.581 0 50 KFAA CCOC(=O)c1ccc(C)c(CNC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 12410895 CKMVPMBAZGVUTN-UHFFFAOYSA-N 509.632 2.993 0 50 KFAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](c6ccccc6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 72266984 SBPPWJIDARICBS-ZXZKBMHMSA-N 664.660 2.994 0 50 KFAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1ccon1)CCN(C(=O)c1cccn2cnnc12)CCC(=O)NC[C@H]1CCCN3C1 1857724358 WZATVKIVTCHGMJ-JOCHJYFZSA-N 697.753 2.812 0 50 KFAA NCCCC[C@@H]1NC(=O)Cc2cccc(c2)OCCNC(=O)CCCN(C(=O)c2cc(-c3ccccc3)no2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 2356138578 MKHOYYJXIPMRFR-QWOOXDRHSA-N 751.885 2.773 0 50 KFAA CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 3919807 CAYJBRBGZBCZKO-BHGBQCOSSA-N 598.672 2.825 0 50 KFAA investigational CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O 43208643 LSXUTRRVVSPWDZ-MKKUMYSQSA-N 561.727 2.623 0 50 KFAA in-vitro COc1ccc2cc1OCCN(C(=O)COc1cccc(C)c1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704317405 IYILSQLRGJRRLT-GDLZYMKVSA-N 577.682 2.733 0 50 KFAA Cc1cc(C)c2c(CC(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)[C@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC3=O)coc2c1 1772701177 KIOMRDPDJBHJAF-QVDUQQMDSA-N 673.811 2.855 0 50 KFAA CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@](C)(OC)[C@H](O)[C@@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C 253487918 TYQXKHPOXXXCTP-FZOLFPQQSA-N 790.001 2.747 0 50 KFAA biogenic CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1875351076 JWUMPLVTRNZQDS-IBGZPJMESA-N 555.657 2.716 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 15659529 QYMIXTGMKUXSQF-FJWZAKCXSA-N 522.579 2.602 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 15659531 QYMIXTGMKUXSQF-RQLGBQGVSA-N 522.579 2.602 0 50 KFAA COC(=O)[C@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 95739762 SFZVDNKTWPZIJG-IVVGTVSFSA-N 664.833 2.793 0 50 KFAA COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1oc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O 225426409 KLDQQRRNTIORNP-SPEDKVCISA-N 536.581 2.839 0 50 KFAA biogenic CCn1ccc(C(=O)N2CCOCCOc3ccc(cc3)[C@H]3c4cc(OC)c(OC)cc4CCN3C(=O)C2)cc1=O 1704323606 RSWLAWCWNXWWKA-PMERELPUSA-N 561.635 2.911 0 50 KFAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCCCn1ccnc1C(C)C)C2 1857704733 DCTGJMQLUNTRET-JGCGQSQUSA-N 596.773 2.545 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)CCn1nc(C)c(C(C)=O)c1C)CCCNC2=O 2356139382 WYUJMEFWIMWOIO-PMERELPUSA-N 636.754 2.556 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 19912039 UZNIHDSUZYKAIC-MGSPXPDISA-N 520.563 2.649 0 50 KFAA CCCCC/C=C\C/C=C\C=C/C=C\[C@@H](SC[C@](N)(C(=O)NCC(=O)O)N1C(=O)CC[C@H]1C(=O)O)[C@@H](O)CCCC(=O)OC 64858748 MIYHBYLJVGQRLI-GJAZFXPKSA-N 637.796 2.919 0 50 KFAA in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCC(=O)O)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253395907 AQVAHEBUSNOFTH-FNZWTVRRSA-N 555.628 2.890 0 50 KFAA biogenic CCN1C[C@]2(OC)CC[C@H](OC)[C@]34[C@H]2[C@@H](OC)[C@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@H]1[C@H]2C(=O)c1ccc(OC)cc1 257373353 XJZURQIFQOUENB-YZUDJNDXSA-N 613.748 2.741 0 50 KFAA COc1ccc2cc1OCCCCN(C(=O)c1n[nH]c3c1CCC3)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704329025 RHMUMSPVZPBKFQ-WTIAFYNJSA-N 507.635 2.864 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713164 GKQFILVIKGLEGW-BPYKYCOYSA-N 735.695 2.676 0 50 KFAA CC(C)n1cnnc1CN1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714610 ZTCJATFJBLIWNT-SVBPBHIXSA-N 560.655 2.718 0 50 KFAA COCCC(=O)N1CCCCNC(=O)c2ccc(OC)c(c2)Oc2cccc(OC)c2CNC(=O)[C@@H](C(C)C)NC(=O)C1 1857704303 MVHRUFYCHDWWTM-GDLZYMKVSA-N 598.697 2.642 0 50 KFAA COC(=O)N1CC[C@@H](c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875387043 LBDHZXMUXOAWMU-OAQYLSRUSA-N 538.630 2.510 0 50 KFAA CNC(=O)[C@H](c1cccc(C(=O)OC)n1)N(C(=O)C[C@H]1CCCC(=O)N1)C1CC[Si]2(CCCC2)CC1 2325839057 HQMYCTMEPIYBAH-KOSHJBKYSA-N 514.699 2.948 0 50 KFAA Cn1ncc2c(N3CCN(C(=O)[C@@H]4C[C@@H](n5cc([C@H]6CCCN6C(=O)OC(C)(C)C)nn5)CN4C(=O)OC(C)(C)C)CC3)ncnc21 2325879920 MHUHKXDGCSVZPT-HUVFLSCGSA-N 651.773 2.926 0 50 KFAA COc1ccc(CC(=O)N2CC[C@H]3Oc4ccc(cc4)CNC(=O)COc4cc(ccc4OC)C(=O)N[C@H]3C2)c(OC)c1 2356160427 RJZJUIZTNVSVRH-IZZNHLLZSA-N 589.645 2.742 0 50 KFAA COc1ccc(-c2coc3cc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 257198447 XHCIZLWHEPIQDR-BTYYIWBCSA-N 656.593 2.856 0 50 KFAA biogenic,in-vitro O=C1N[C@H]2CN(C(=O)c3ccc4c(c3)CCCO4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952856641 FAVHURVOAHAANH-DHLKQENFSA-N 538.004 2.879 0 50 KFAA O=C(CCCN1CCOCC1)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952863270 HMWRYVHQZFSTBA-SMCANUKXSA-N 556.667 2.931 0 50 KFAA CN(C)CCCC(=O)N1CC[C@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@H]2C1 952865089 NRTYOWDCNCOESC-RRPNLBNLSA-N 536.673 2.828 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCN3CCCCC3=O)C[C@H]1NC(=O)CN(C)C2=O 1615706235 AHUHOOWZQMAWKF-FTJBHMTQSA-N 562.667 2.878 0 50 KFAA Cc1ncsc1C(=O)N1CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)C1 1704321157 FOEGUACPGYVNTO-WDDWZANVSA-N 763.947 2.511 0 50 KFAA CC[C@H]1CN(C(=O)CCc2nc3ccccc3s2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704321916 IETCNCAPNAPFDI-LWGQKRLESA-N 648.830 2.729 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)Cc3cc(C)no3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714304 KEIARRXPIBGNOX-VRGUBSQPSA-N 744.890 2.656 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(CCCn3ccnc3)C[C@@H]2Oc2ccc(cc2)CN1 1772714604 ZIFLCOQICQPDDV-NSOVKSMOSA-N 545.640 2.632 0 50 KFAA CC(=O)NCCCC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1857705300 BKOVVGGPFBNJPN-QWIMVIAWSA-N 730.911 2.694 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(Cc2ccccn2)CCCNC(=O)COc2ccc(cc2)C1 1857705574 NCVPHXAMLMTSCK-PMERELPUSA-N 554.688 2.507 0 50 KFAA NC(=O)CC[C@@H]1NC(=O)c2cc(F)ccc2OCCNC(=O)CCCN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CCNC1=O 1857713662 BJLFOEYTEOPLLX-QFIPXVFZSA-N 692.692 2.879 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(CCn4c(=O)oc5ccccc54)CC(=O)N[C@H]3C2)no1 1940196449 MMCXMZFGNGRIQH-NOZRDPDXSA-N 559.623 2.790 0 50 KFAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCC1 2356137623 SBOUYGRZGVTCFT-UUWRZZSWSA-N 630.794 2.635 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)CCc3cccnc3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708186 KCTQJBDNIZRKQU-IXQCKEROSA-N 710.792 2.825 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)NC[C@@H](c3cccnc3)N3CCOCC3)cc(c1)-n1ccnc1-2 1875240393 REOXPSNQEBJYFO-SANMLTNESA-N 568.634 2.755 0 50 KFAA CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)NC(=O)C4c5ccccc5Oc5ccccc54)CC3)nc21 29064337 MXISJWFXBBXOJB-UHFFFAOYSA-N 570.631 2.971 0 50 KFAA CCOP(=O)(OCC)[C@]1(C)[C@@H](COC(=O)NCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC=[N+]1[O-] 64857830 UAQUUBGIOJZAFO-TVNWPGJYSA-N 591.668 2.528 0 50 KFAA in-vitro COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]1NC(=O)CN(C)C2 952856895 NZYIAKAMEGCUGJ-IGKIAQTJSA-N 578.645 2.589 0 50 KFAA Cc1nn(C)c(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1Cl 1772714227 GRNWVEWTVGRXDO-DQEYMECFSA-N 594.068 2.881 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccccc2-c2nc[nH]n2)CCCNC(=O)COc2ccc(cc2)C1 1775981302 JKCKANGOUZSRRF-XIFFEERXSA-N 634.734 2.538 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1cc(S(N)(=O)=O)ccc1F)CCCCNC2=O 1857703331 ZSHOGLFVJZPNFT-WJOKGBTCSA-N 713.785 2.706 0 50 KFAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccc5ncccc5c4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533274 INRKRRGBOSUWIA-IIESYZNTSA-N 567.690 2.940 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)C(C)(C)OC)C3)CN1C(=O)CC2 2356139631 GOBYZBAOHNQAPY-QTJGBDASSA-N 543.705 2.970 0 50 KFAA Cc1cc(C)n(CC(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@@H]3C(=O)NCC2)n1 2356160578 YVJOBHLNHXBSDM-FTJBHMTQSA-N 579.648 2.990 0 50 KFAA COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225415807 STWONHBMCAIVMR-LVCYWYKZSA-N 566.607 2.847 0 50 KFAA biogenic O=C1NCCCn2cc(nn2)CC2(CCN(C/C=C/c3ccccc3)CC2)C(=O)N[C@H]1Cc1ccccc1 952863234 UHGNPZVWDAUGBM-PPJFHAJBSA-N 512.658 2.864 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)CN3CCCC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952866040 XRBWVPSMIJKHAU-URLMMPGGSA-N 622.763 2.997 0 50 KFAA COCC1(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)CC1 952868075 BAOBWEHRYBWNCR-UPVQGACJSA-N 507.587 2.512 0 50 KFAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)cc1 1857704005 ZROLETPECBXERM-OAQYLSRUSA-N 520.673 2.877 0 50 KFAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CCNC(=O)CC2 1875239868 LGMKMEDDXDRVKD-RUZDIDTESA-N 664.737 2.785 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(-c3ccc(C(=O)O)cc3)nn2)c1 1875325471 YMZXXZGCQBJEFI-UHFFFAOYSA-N 537.573 2.898 0 50 KFAA Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCSc2nnnn2-c2ccccc2)cc1 2868850 CFCFUWVHDGGBHE-XMMPIXPASA-N 534.667 2.995 0 50 KFAA Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C 9354913 AMUJBOBWQJFCFO-UHFFFAOYSA-N 500.390 2.510 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c3nnc4nc(C)cc(C)n34)CC[C@@H]1OCc1cccc(c1)O2 1615707522 CANSCIUHYMGOJS-SXOMAYOGSA-N 613.675 2.934 0 50 KFAA COc1ccc2cc1OCc1cn(nn1)CCOc1ccc(cc1)CC(=O)N[C@H]1CCN(C2=O)[C@@H](C)C1 1704317469 JGHSWGOBRJGEKR-RXVVDRJESA-N 505.575 2.610 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CCCNC(=O)COc2ccc(cc2)C1 1857705195 XMMGKYDXFMKRKJ-UMSFTDKQSA-N 633.746 2.938 0 50 KFAA CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 19809262 ADXUSIZIQPUCLL-HSZRJFAPSA-N 512.632 2.757 0 50 KFAA CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(CCCC(=O)O)C(=O)[C@H]54)[C@H]23)cc1 169683437 FWPPYSXVNCBZKQ-SNGVCSETSA-N 513.641 2.841 0 50 KFAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCn1nc(C)cc1C)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864142 LRJVDFNGUQSHMX-LJAQVGFWSA-N 642.761 2.501 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)CCCC(C)C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704326491 FZMVDTNMUGWLNE-URXFXBBRSA-N 516.683 2.524 0 50 KFAA COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OCCCCC(=O)NCCOCCOCCOCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 1875303395 SSAVMUCHKWHVOG-SSEXGKCCSA-N 830.778 2.808 0 50 KFAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(Br)c(C)c4)C3=O)C2)n1 1875350749 ZBGTWQOLWANFCT-NQIIRXRSSA-N 556.461 2.950 0 50 KFAA Cc1noc(C)c1C[C@H](C)Nc1ccc(S(=O)(=O)N2CCOC[C@@H](n3cncn3)C2)c2ccncc12 2325823153 HHKYPMUEFMYXET-LPHOPBHVSA-N 511.608 2.736 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4cocn4)C3)CN1C(=O)CC2 2356135342 ZROLLNRFDUKZQY-FJIJXJHWSA-N 538.645 2.846 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)CN2CCOc3ccccc3C2)CCCC1=O 2356137517 OEUQKRMXFINALW-PGUFJCEWSA-N 617.791 2.842 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2ccc(OC)c(OC)c2)C1 14542994 IZXXUCCFRVJBCL-RUZDIDTESA-N 539.673 2.804 0 50 KFAA COc1ccc([C@@H](CC(=O)NCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2c(O)cc(C)oc2=O)c(OC)c1OC 263584904 BZOPIFKMGLEQDF-RZUBCFFCSA-N 607.660 2.516 0 50 KFAA biogenic COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1cc(C3CCCCC3)no1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952865776 SRTRIMQYEMKOGG-FCXOZWAYSA-N 742.878 2.783 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc4scnc4c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322670 OIROYUKEENQOLH-OZBXUNDUSA-N 664.829 2.665 0 50 KFAA COc1ccc2cc1Oc1cc(ccc1O)CCC(=O)N[C@@H]1CN(C(=O)Cn3nc4ccccc4n3)C[C@@H]21 1875241124 OKXDRCNSHWGWDV-SIKLNZKXSA-N 513.554 2.995 0 50 KFAA CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)C1 2325869657 XGIWCLBIHIPTIB-NOZRDPDXSA-N 508.644 2.944 0 50 KFAA COc1coc(C(=O)NC/C=C\CNC(=O)c2scc(Br)c2Br)cc1=O 2325876772 AULKUTYZOKBPJU-IHWYPQMZSA-N 506.172 2.951 0 50 KFAA COc1cc2c(cc1OC)CN(C(=O)[C@H](NC(=O)N1C[C@@H]3C[C@H](C1)Cn1c3cccc1=O)C(C)C)CC2 409413030 WOCVKXMBIPHLPV-JJHGTGHCSA-N 508.619 2.604 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2ccccc2OCCO)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940195352 NOPPNDQGAACHSD-HHHXNRCGSA-N 563.699 2.853 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952856424 DYWJFQWIPUVAPM-VMPREFPWSA-N 609.687 2.990 0 50 KFAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(CC=C(C)C)CCCNC(=O)COc2ccc(cc2)C1 1857706702 NYXTXNQLHQQNHB-GDLZYMKVSA-N 531.694 2.878 0 50 KFAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CCCN1C(N)=O)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857724345 WLPDKBIDIWSOOQ-VWLOTQADSA-N 560.655 2.644 0 50 KFAA O=C1N[C@H]2CN(Cc3noc(C4CCCC4)n3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952863761 CWFKWIZOAHFAOU-UNMCSNQZSA-N 528.013 2.954 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCC(C)C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702514 CJASBMZFVWDBKN-IRPSRAIASA-N 581.762 2.692 0 50 KFAA Cc1cc(C(=O)N2CCCNC(=O)[C@H]3CN(C(=O)Cc4csc(C)n4)C[C@@H]3c3cccc(c3)OCC2)no1 2356135564 KIPWCWWJHBDWDL-PKTZIBPZSA-N 537.642 2.574 0 50 KFAA CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C 95613310 NJUXRKMKOFXMRX-RNCAKNGISA-N 767.010 2.954 0 50 KFAA in-vitro COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccns3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714361 NFBMFXJJJHRORX-RNNJVSDQSA-N 732.904 2.887 0 50 KFAA COc1ccc2cc1OCCCN(C(C)=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775980955 MGGIPRKEKRZVQR-JOCHJYFZSA-N 520.586 2.633 0 50 KFAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)[C@@H]2CCCO2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857700446 CCENMUDKHJWGRS-DHSKDISOSA-N 713.880 2.965 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533962 NCESWQSGAULBQX-NDEPHWFRSA-N 688.807 2.592 0 50 KFAA C[C@@H](c1ccc(C(F)(F)F)cc1F)N(C)C(=O)CNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325898583 MJVXDPRKPCMVGV-SGTLLEGYSA-N 534.466 2.877 0 50 KFAA COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 59738373 RHXMCNGPQMTYLY-UHFFFAOYSA-N 589.692 2.867 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)c1ccncc1)C2 1772701650 NKTXEOCLYRRBGC-AREMUKBSSA-N 614.703 2.726 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)c3cccc(-n4cccn4)c3)C[C@H]2C(=O)N1 1704322016 BSACQLBVYSPLBN-ILAQREBVSA-N 699.853 2.862 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)C2CCC2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775978296 RCRXHVSQMTYMMN-QCENPCRXSA-N 682.826 2.717 0 50 KFAA CS(=O)(=O)N1CCC(c2cn([C@H]3CC[C@@H](C(=O)N4CCc5c(C(=O)O)ccc(F)c5C4)CC3)nn2)CC1 1875324563 DAXMTKRYEXRHBE-HDICACEKSA-N 533.626 2.571 0 50 KFAA CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NCC(=O)N1CCOc2ccccc21 1875347161 JKESVEGVYSJBGS-KRWDZBQOSA-N 506.422 2.842 0 50 KFAA COC(=O)CNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C 253413952 WBQDJJNUYKGNCN-FNZWTVRRSA-N 555.628 2.589 0 50 KFAA biogenic COC(=O)[C@H](CC(C)C)NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 263584750 ADNPPSGSIPSHJH-GMAHTHKFSA-N 569.655 2.979 0 50 KFAA biogenic COCCN1CC(=O)N[C@H]2CN(C3CCN(C(=O)C4CC4)CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952857227 RPODLGOXCHKVDL-NYDCQLBNSA-N 634.774 2.995 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCCC(=O)N2C[C@H](NC(=O)c3ccsc3)C[C@H]2C(=O)N1 1704326824 OCIBZBADAHVCIK-KSRRRKKLSA-N 639.819 2.738 0 50 KFAA O=C(N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(Cl)cc1)c1ccccc1I 101176310 VYBDFRMVPDMCAZ-LJQANCHMSA-N 590.683 2.924 0 50 KFAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)C2CCOCC2)CCNC(=O)COc2ccc(cc2OC)C1 1857702626 FAYRHBVAEDHMOZ-YTTGMZPUSA-N 603.757 2.884 0 50 KFAA CCN1CCN(C(=O)c2nonc2C)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875240042 FXIKREBUQYIPAE-HXUWFJFHSA-N 595.701 2.653 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 2333584 NJUWNIJLZBXYHK-JUTHHCEFSA-N 510.568 2.530 0 50 KFAA COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cn(C)nc4C)c(=O)n32)ccc1O 2785528 UARCJQKCBQOQBE-JGTYQCAFSA-N 515.595 2.630 0 50 KFAA O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)cc1)CN1CCN(Cc2ccccc2)CC1 64693596 SUSCYIMTNZLQLZ-ROJLCIKYSA-N 574.766 2.802 0 50 KFAA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 263586468 UTFUZSXWCSXTII-BDYUSTAISA-N 614.699 2.974 0 50 KFAA biogenic COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc3sccc3[nH]1)CCCNC(=O)CC2 952861648 DDRIXHANGFRXKC-FQEVSTJZSA-N 597.738 2.955 0 50 KFAA O=C(O)c1ccc(Br)cc1OCc1cn(-c2ccccc2CNC(=O)[C@H]2CCOC2)nn1 1875326150 CICIORZZBBXSFS-HNNXBMFYSA-N 501.337 2.960 0 50 KFAA Cc1cc(CC(=O)N2CCCNC(=O)c3cccc(c3)OCCn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)C2)on1 2356138611 PBOJKNSXSWPEES-NRFANRHFSA-N 571.638 2.703 0 50 KFAA COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cnn(C)c4C)c(=O)n32)ccc1O 2785907 ABBZWXARCWKTSJ-JGTYQCAFSA-N 515.595 2.630 0 50 KFAA COCCCN1CC(=O)N[C@H]2CN(C(=O)C3=NN(C)C(=O)CC3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952856087 IQEVPVBWFHEFLJ-WUFINQPMSA-N 649.745 2.509 0 50 KFAA CSc1ncccc1C(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 952864268 JRFZVHPCSREAMB-FPOVZHCZSA-N 529.022 2.671 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)c2cccc(c2)CNC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CNC1=O 1616110408 QTVPMQYRWGTHTQ-DFBJGRDBSA-N 610.115 2.610 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3ccc(S(C)(=O)=O)cc3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714079 YUEXHQVRFVNQRQ-CUQACYHPSA-N 803.979 2.834 0 50 KFAA COc1ccc(OC)c(S(=O)(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3coc(n3)[C@@H](CC(C)C)NC(=O)c3cc(on3)C2)c1 1857725838 PIYWIRBSVPZEKP-AZGAKELHSA-N 694.767 2.859 0 50 KFAA CC(C)=CCN1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1875242001 ZWJUOVBENJSOGV-SANMLTNESA-N 545.688 2.610 0 50 KFAA CCOC(=O)C1=C(CN2CCN(c3nc4ccccc4o3)CC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 12412576 UFPCAERMIOCWHI-QHCPKHFHSA-N 505.531 2.550 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(Cc2cccc3nccnc23)CC(=O)N(Cc2ccc(OC)cc2)C1 14538714 RNMXJLCHLUPHSA-XMMPIXPASA-N 505.619 2.736 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cnn(Cc3ccccc3)c2)C1 14542695 ZHVHZTGEZSWIMP-HHHXNRCGSA-N 531.657 2.712 0 50 KFAA N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 257355035 JUUZKZKBBSFAAT-WOWIIIEXSA-N 997.071 2.512 0 50 KFAA CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)[nH]c2c1=O 49872110 OVHCTHHFOHMNFV-UHFFFAOYSA-N 529.022 2.654 0 50 KFAA in-vitro COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1cc(-c3ccc(C)o3)[nH]n1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704323839 HDYYAZANCLAWBP-MPCNFJCNSA-N 755.873 2.991 0 50 KFAA CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC(=O)NC[C@](CC3CC3)(C(=O)OCC)Cc3ccc(OC)c(c3)OCC(=O)NCC2)cc1 1857705824 XEEJEPUDGXRVRB-PGUFJCEWSA-N 700.855 2.823 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCc2c(C)noc2C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857706601 NEOKUVILAJEYBN-WRONEBCDSA-N 623.755 2.759 0 50 KFAA CCN(CC)C(=O)CN1C(=O)[C@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccccc21 245235971 PJFQYXJEWPMYMV-ZCOUOSKHSA-N 534.682 2.623 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253413145 TXQIVTKNUAXMGA-FQEVSTJZSA-N 541.601 2.646 0 50 KFAA biogenic COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)c1cc3c(nc1O)CCC3)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857661 UHDJMWLEPFTHBX-LJAQVGFWSA-N 653.740 2.501 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(Cc2nccn2C)CCCCNC(=O)[C@@H](C)NC1=O 1704339186 DGUQVJAQCBXHNP-TZFWCWEWSA-N 629.806 2.709 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)C1Cc3ccccc3C1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772700634 BMMXTYXILVUJOC-PPTMTGTBSA-N 627.790 2.671 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(SC)cc1 2680462 BOVMUGCBJFVQCO-AGGMBTAESA-N 505.621 2.867 0 50 KFAA CC1=C[C@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@@H](C(C)C)[C@@H](C)C=CC(=O)NCC=C1 254112285 DAIKHDNSXMZDCU-DYLHXGEVSA-N 525.602 2.659 0 50 KFAA biogenic COCC(=O)N1CCCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(c(OC)c2)CNC(=O)[C@H](C)NC(=O)[C@H](CCc2ccccc2)NC(=O)C1 1857698573 YUUSOBLNSFECHQ-QCDSWUKFSA-N 717.820 2.733 0 50 KFAA O=C1NCCCN(C(=O)CCOc2ccccc2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356139188 DYMAEUCORVBUJY-SGOMLOLCSA-N 516.642 2.921 0 50 KFAA COc1ccc2cc1OCCCn1cc(nn1)COc1cc(ccc1OC)C(=O)NC1CCN(CC1)C2=O 1704321146 FDVHEVACDQAIQX-UHFFFAOYSA-N 521.574 2.691 0 50 KFAA COc1cc2ccc1OCCCN(C(=O)CCn1cnnn1)CCCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)NCc1nc-2oc1C 1775978878 QGYFYRHUXNERAM-MHZLTWQESA-N 669.743 2.952 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCN(c3cccc(C)c3)CC2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981418 CXVCCILOSRBPPG-FOPBOCKXSA-N 688.874 2.652 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cccc(-n3cnnc3)c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533503 SGDGMURNLYBGEH-HHHXNRCGSA-N 584.681 2.703 0 50 KFAA COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(Cc3ccc(C)cc3C)C2)nn1 14997362 LQBFJNNRZZSRAX-AHWVRZQESA-N 520.609 2.985 0 50 KFAA COc1ccc(-c2nc3s/c(=C4\C(=O)N(CC(=O)Nc5ccccc5)c5ccccc54)c(=O)n3n2)cc1 16729356 MCUXKGLOKOOIOY-FCQUAONHSA-N 509.547 2.730 0 50 KFAA 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 218005836 YMRLRSPOFGXOTO-RZMRESFYSA-N 555.628 2.890 0 50 KFAA biogenic C[C@]12[C@@H]3[C@H]4[C@H](CC[C@H]4[C@@H]4[C@H]3[C@@H]3[C@H]5[C@@H]6[C@H](CC[C@H]6[C@H]31)O[C@@H](N1C(=O)CCC1=O)[C@@]54C)O[C@@H]2N1C(=O)CCC1=O 253596822 WHKWKQIREHTRPI-SNTIGAJTSA-N 520.626 2.551 0 50 KFAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(-c3ccsc3)[nH]n1)CCCNC(=O)CC2 952864944 RRTUTVPEQITFTJ-NRFANRHFSA-N 624.764 2.864 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCc3cnccn3)C[C@H]1NC(=O)CN(C)C2=O 1615707992 ZGHTVCWBCQCREV-FTJBHMTQSA-N 543.624 2.898 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)CCc3cnn(C)c3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616109507 JAZJQQNWZOVRHV-IZLXSDGUSA-N 559.667 2.852 0 50 KFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1704324879 XHTGTRMKRMPAKR-ZJEFRKGSSA-N 769.929 2.620 0 50 KFAA Cc1cccc(N(CC(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)S(C)(=O)=O)c1 1772703739 NTXPMAAZFPROOI-CONSDPRKSA-N 662.765 2.647 0 50 KFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1cn(C)c(=O)n(C)c1=O)N(C(=O)c1ccc2c(c1)CC2)c1ccc(N2CCCN(C)C2=O)cc1 2325850710 FUYRCOXYVMKJJQ-ROJLCIKYSA-N 692.773 2.733 0 50 KFAA CC(=O)N1CC[C@H](n2cc([C@@]3(O)CCCN(C(=O)c4ccc(NC(N)=O)cc4)CC3)nn2)c2ccccc21 2325853231 IZWVBTJPOASBIH-WNCULLNHSA-N 517.590 2.629 0 50 KFAA Cc1ccc(C(OC[C@@H]2O[C@H](n3ncc(N)nc3=O)[C@H](O)[C@@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 254546614 WINPBGKQLPWUPD-VWEWBFCZSA-N 528.609 2.774 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)[C@H]1C[C@H](O)C1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857702282 HCOJDVZEVDLOGQ-SDEBYOROSA-N 743.858 2.858 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccncc1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940196008 CIUPIIPURRPLKA-SANMLTNESA-N 582.661 2.722 0 50 KFAA COC(=O)CN1C(=S)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(I)cc1 2729752 TWMDFISNSPFPKU-QGZVFWFLSA-N 537.379 2.791 0 50 KFAA O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCCCCCCC(=O)OC[C@@H](O)CO 144246001 VBKRYTDHRKYILK-CIEVZJJWSA-N 515.717 2.626 0 50 KFAA CC1CCN(S(=O)(=O)N2CCNC(=O)c3cccc(c3)OCCn3nc(-c4ccccc4)nc3[C@H](C(C)C)NC(=O)C2)CC1 1857707736 IJANQNYTKIZYRE-NDEPHWFRSA-N 623.780 2.860 0 50 KFAA O=C(Nc1ccc(-c2n[nH]c(Cc3ccccn3)n2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1875387081 NCGDWCSSLSKTAQ-UHFFFAOYSA-N 502.600 2.940 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)Cc4cnc[nH]4)C3)CN1C(=O)CC2 2356136621 BTCNIXZBKHLLSJ-PWWKTKHKSA-N 551.688 2.510 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]1NC2=O 2356162941 UYITWAVYENIEIJ-FIPFOOKPSA-N 599.644 2.610 0 50 KFAA CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)C[C@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O 256069930 CBVCZFGXHXORBI-ITVYBFAUSA-N 613.803 2.867 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCc2ccccc2Cl)CCN(C)C(=O)[C@@H](C)NC1=O 1704323710 TZHXPOJBCAZNBV-AURLEMJNSA-N 752.338 2.894 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801091 QLPBVUOEXHYSIY-LFOFZZIDSA-N 589.575 2.687 0 50 KFAA COc1ccc(-c2noc(CN3CCN(C(=O)CNC(=O)c4ccc(Br)s4)CC3)n2)cc1 1875352909 FUGIEHVBKWHHLC-UHFFFAOYSA-N 520.409 2.643 0 50 KFAA COC(=O)c1ccc(C(=O)N2CC(=O)N[C@@H](C(C)C)c3nc(cs3)C(=O)N[C@H](C(C)C)c3nc(c(C)o3)C(=O)N[C@H](C)C2)nc1 2356134616 UXBQCJBZFBYLHY-AVIJNYRZSA-N 639.735 2.836 0 50 KFAA CC(C)C[C@@H]1CNCC(=O)N[C@H](Cc2ccccc2)c2nc(cs2)C(=O)N[C@H](C)c2nc(co2)C(=O)N1 2356139962 OCBQJEDWVMPVSG-BHIYHBOVSA-N 524.647 2.770 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC 15659556 QAFXIQCQEGZAPL-YJADQXIJSA-N 524.595 2.833 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCCCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253404362 HUYCARIFFOKWOU-YWZLYKJASA-N 541.601 2.644 0 50 KFAA biogenic CCCCc1ncc(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)[nH]1 952864553 KAJKAKCXDGETEV-RUZDIDTESA-N 568.698 2.881 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2c3c(nn2C)CCCC3)CCNC(=O)COc2cc(ccc2OC)C1 1857703772 YTBWSWHDNCJYMM-UUWRZZSWSA-N 637.778 2.747 0 50 KFAA COc1ccc(C[C@@](C)(CO)NS(=O)(=O)c2ccc(N3CCc4nccnc4C3)c(Cl)c2)cc1 2325822986 ARWHBKLDQGBJLR-DEOSSOPVSA-N 503.024 2.973 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cccc3c1CCC3=O)CCCNC2=O 2356136485 WSWLIDUTJNJEKG-LJAQVGFWSA-N 602.692 2.892 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cc3ccccc3n(C)c1=O)CCCNC2=O 2356160999 BHUHCSJEBQPVJM-LJAQVGFWSA-N 629.718 2.615 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 16700352 KSCQMMRQJZWNCV-NWKGEQBZSA-N 510.543 2.871 0 50 KFAA CCOC(=O)C1CCN(S(=O)(=O)N2CCCOc3cccc(c3)CC[C@H]3CCCCN3C(=O)C2)CC1 1857706571 LNCLZEIKGWYAAY-HSZRJFAPSA-N 521.680 2.605 0 50 KFAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)C(C)(C)C)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857710505 AFFWVHYKWAWSLB-ZIUBFTGCSA-N 661.760 2.844 0 50 KFAA Cn1nc(C(=O)N2CCCNC(=O)[C@H]3CN(C(=O)Cc4cccnc4)C[C@@H]3c3cccc(c3)OCC2)c2ccccc21 1875242216 NEEBTFABCOWIKB-SXOMAYOGSA-N 566.662 2.794 0 50 KFAA COc1cc(S(=O)(=O)N[C@H](CCO)c2ccc3c(c2)OCO3)cnc1N1CCOC2(CCSCC2)CC1 2325823129 FTGOVYXMTCPSJL-HXUWFJFHSA-N 551.687 2.713 0 50 KFAA CCOC(=O)CNc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)n1 253387795 OXYJAFBKBDZTEF-AKJWSFQKSA-N 642.621 2.819 0 50 KFAA O=C1COc2cc(C(=O)NCCN3CCOCC3)cc(c2)C(=O)N[C@H]2CN(Cc3c(F)cccc3Cl)C[C@@H]2Oc2ccc(cc2)CN1 1772714389 OMCVTJMLDRVDIS-CONSDPRKSA-N 666.150 2.612 0 50 KFAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(C(=O)c1cccc3cc[nH]c13)CCNC2=O 1875241517 SWHQATDYXDRQPE-VWLOTQADSA-N 609.731 2.612 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)[C@@H]1CCCCN1)CCCCNC2=O 2084381999 DUWYMCUVEGKZQV-NGQVCNFZSA-N 623.751 2.747 0 50 KFAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)CCc2ccc(OC)c(OC)c2)C1 14542995 IZXXUCCFRVJBCL-VWLOTQADSA-N 539.673 2.804 0 50 KFAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(CCCn3cccn3)C[C@@H]2Oc2ccc(cc2)CN1 1772714245 HHNQWHRVLWEUKU-NSOVKSMOSA-N 545.640 2.632 0 50 KFAA Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 1875351261 PKRFTFDCQQEZFW-MRXNPFEDSA-N 505.453 2.683 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1cnc3cccnn13)CC(=O)N[C@H]1CN(C(=O)Cc3cc(F)cc(F)c3)C[C@H]21 2100532955 OMTRXPIJHSXTIE-RPWUZVMVSA-N 604.614 2.594 0 50 KFAA Cc1ccc2cc1OCCNC(=O)CN(Cc1nc3ccccc3n1Cc1ccccc1Cl)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 2100533191 FBWIZCOTFSCHFL-UVDDSOTQSA-N 633.149 2.653 0 50 KFAA C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)C2(C)C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 255223417 KQGDHYQRJRGMDG-CYMACDCKSA-N 764.994 2.805 0 50 KFAA Cc1ocnc1C(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)CCc2c[nH]c4ccccc24)CC(=O)NCCCOc2cccc(c2)[C@H]31 1800430312 JULJTAUZXAHDCO-PSXMRANNSA-N 692.777 2.925 0 50 KFAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1857698865 MFEIKTONAWRVFR-UMSFTDKQSA-N 686.828 2.531 0 50 KFAA COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccccn3)N(Cc3ccc(C(C)C)cc3)C2)c1C(=O)OC 12051111 SIGKORFNYTTYAG-VXKWHMMOSA-N 520.590 2.502 0 50 KFAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)c2cc(-c3ccsc3)n[nH]2)C1 14741950 ZOVPWHSOSCPYLI-JOCHJYFZSA-N 523.659 2.919 0 50 KFAA CCN(CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)Cc1ccccc1 38146948 NHHBKODBJSDYDV-UHFFFAOYSA-N 542.702 2.861 0 50 KFAA COC(=O)CN1C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 59768536 GYMFECGFJOUJFQ-QGZVFWFLSA-N 523.489 2.996 0 50 KFAA O=C(CC(=O)N1CCOCCOCCN(C(=O)CC(=O)NC23CC4CC(CC(C4)C2)C3)CCOCCOCC1)NC12CC3CC(CC(C3)C1)C2 150355140 IPVOJCDBVJUPRP-UHFFFAOYSA-N 700.918 2.674 0 50 KFAA Cc1nc(O)cc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 952863744 YEDOCNHGHATXCR-LOSJGSFVSA-N 531.613 2.953 0 50 KFAA 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 15721189 GYBXWOPENJVQKE-UFYCRDLUSA-N 509.669 2.976 0 50 KFAA in-vitro Cc1cccc(CC(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)c1 1704316941 CULFBJBUDVYDPA-XBZWSRNISA-N 770.957 2.984 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cc(C)nc(C)n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704335334 DIMXRYADXCOMBD-BMVXCPATSA-N 823.996 2.671 0 50 KFAA O=C1NCCN(C(=O)Cc2noc3ccccc23)CCCOc2cccc(c2)[C@H]2CN(C(=O)c3cnc4cccnn34)C[C@H]12 1875242603 VRUFZNBWZIUOQG-RPBOFIJWSA-N 593.644 2.696 0 50 KFAA Cc1cc(C(=O)N(CC(=O)Nc2ccccc2F)Cc2ccc(-c3cn(C)nn3)cc2)ccc1S(N)(=O)=O 2325899640 PDSDHLDOOHNQRZ-UHFFFAOYSA-N 536.589 2.858 0 50 KFAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=S)n3-c2ccc(F)cc2)cc1 101232478 OWLYSQUAMNPVDM-HXUWFJFHSA-N 557.507 2.681 0 50 KFAA CCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@@H]3C[C@](C)(OC)[C@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@H]1N(C)C 247908608 TYQXKHPOXXXCTP-BTNQSPNWSA-N 790.001 2.747 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cc2cccnc2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321135 DOEIVIULNRTFNE-CVNFBTNDSA-N 684.838 2.948 0 50 KFAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3cccs3)CCCNC2=O)N(C(=O)c2ncoc2C)C1 1704324433 QDEZNGBTPAAWKP-UPVQGACJSA-N 623.732 2.816 0 50 KFAA Cn1cc(C(=O)N2CCCNC(=O)[C@H]3CN(C(=O)c4cc5ccccc5cn4)C[C@@H]3c3cccc(c3)OCC2)ccc1=O 1875239995 CNBSLXPBGPRUQF-IZLXSDGUSA-N 579.657 2.830 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cccnc2)CCCC1=O 2356134588 TTZOVOQIOJBPCW-PMERELPUSA-N 533.673 2.657 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4ccn(C)c(=O)c4)C3)CN1C(=O)CC2 2356137775 ZCKQBXGFNAGJPE-DFCKQENNSA-N 578.710 2.557 0 50 KFAA O=C(O)c1cccc(-n2c(=O)c3c(Cl)c4c(=O)n(-c5cccc(C(=O)O)c5)c(=O)c4c(Cl)c3c2=O)c1 3142991 BACJCHMTOXONNT-UHFFFAOYSA-N 525.256 2.594 0 50 KFAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cn1c(C3CC3)nc3ccccc31)CCCNC2=O 952856872 CKIYIIRKROPNNF-QFIPXVFZSA-N 618.735 2.707 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)CCNC2=O 1857725048 UBABQJINXCCKTC-SSEXGKCCSA-N 703.778 2.725 0 50 KFAA O=C1CN(C(=O)CC2CCCC2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740879 QXEGYEWGFLGCQM-MHZLTWQESA-N 587.725 2.751 0 50 KFAA Cc1cc(=O)c2ccccc2n1CC(=O)N1C[C@@H]2C[C@H](C1)[C@@H]1CCCC(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@H](C)C(=O)N1C2 2100533554 UVVGHQUUFHTYAZ-KRBXDKNCSA-N 625.770 2.792 0 50 KFAA COc1ccc([C@@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1Br 2325860515 KMIUWESGFWCTLC-XHDPSFHLSA-N 522.425 2.566 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 861893 RZDCWQQGTDMBOO-YOURIZNBSA-N 508.552 2.544 0 50 KFAA CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)O 252694775 PVGJWUMOTUCBBG-XSLAGTTESA-N 519.730 2.878 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCN(S(=O)(=O)C(C)C)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263585787 MLSGFCDUADDMPF-VWLOTQADSA-N 644.791 2.938 0 50 KFAA biogenic Cc1c(C)[n+]([O-])c([C@H](c2ccc3c(c2)n(C)c(=O)n3C)C2C(=O)OC(C)(C)OC2=O)n1Cc1ccccc1 263587353 FZYLYWYHJYSGGJ-JOCHJYFZSA-N 518.570 2.561 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ccccc2-c2nn[nH]n2)CCCCNC(=O)[C@@H](C)NC1=O 1704335087 KZPBLBUWRGFFGX-JHIPEVQNSA-N 707.836 2.796 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cncc(F)c2)CCCC1=O 2356138800 QLMPMQNVOXECLO-SSEXGKCCSA-N 551.663 2.796 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(Cc1cccc(F)c1F)CCCNC(=O)[C@@H](C)NC2=O 1704323191 AEXFJMBMFDDUFV-LJQANCHMSA-N 526.588 2.974 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cnc(Nc4ccccc4)nc3)C[C@@H]1NC2=O 1704323568 RBJNGEQLLSAIBL-LSYYVWMOSA-N 594.628 2.939 0 50 KFAA Cc1cc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)nc(C)n1 1772713561 KJZPVNWTSAADNE-NSOVKSMOSA-N 571.634 2.593 0 50 KFAA COC(=O)N1CCC[C@@H](c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875387196 TXASJLZOVKVNOB-JOCHJYFZSA-N 552.657 2.900 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)CN1CCc2ccccc2C1 2100533572 VGSOCWGGYMSYSL-RRPNLBNLSA-N 562.711 2.623 0 50 KFAA CC(C)CN(CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21)CC(C)C 9962968 XQMVIHRZLZXLSV-UHFFFAOYSA-N 522.712 2.563 0 50 KFAA CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)[C@H](O)[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 96085301 NDCWHEDPSFRTDA-FJMWQILYSA-N 869.917 2.707 0 50 KFAA in-vitro O=C(NCc1ccccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 101908141 NSHXBAZYFWQTDU-HSZRJFAPSA-N 534.059 2.720 0 50 KFAA Cc1nsnc1C(=O)N1CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc2[C@H](C(C)C)NC(=O)C1 1857708012 FIWQGOKPYJGCTP-DEOSSOPVSA-N 588.694 2.883 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccccn4)c(C)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801049 ARWVTIKJEMLWAI-XZYRXSQLSA-N 583.546 2.625 0 50 KFAA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@@]1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F 2867223 BNYFWRZXGRHERS-HSZRJFAPSA-N 539.532 2.756 0 50 KFAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)c3ccnn3C)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616111630 NUIDLFYSLQUCBQ-IAPPQJPRSA-N 619.719 2.948 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2nc(-c3ccc(F)cc3)cs2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704340274 SFJIOYATHZYNBR-JSOXBJENSA-N 722.884 2.505 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)c2ccccn2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775984530 XNTJUFWGXFXGGL-GMCHKSTQSA-N 705.820 2.626 0 50 KFAA COCCC[C@]1(C(=O)NC2CCN(c3ncccn3)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857698351 MPYWIJFCGOOOBA-PGUFJCEWSA-N 654.772 2.506 0 50 KFAA NS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@@H]2c2ccc(F)cc2)C1=O 2325879392 TZLNWPJAKYYUNA-WYPIERHCSA-N 571.606 2.687 0 50 KFAA COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)[C@]1(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(F)(F)F 2867222 BNYFWRZXGRHERS-QHCPKHFHSA-N 539.532 2.756 0 50 KFAA COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C1)=NO2 85566206 BJWQSQOWGBUSFC-UWXQAFAOSA-N 818.108 2.842 0 50 KFAA biogenic,in-vitro O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3cc4sccc4[nH]3)CC2)C(=O)N[C@H]1Cc1ccccc1 952856285 DGGADCMUTGACEZ-QFIPXVFZSA-N 545.669 2.533 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCC(C)C)C[C@@H]1NC(=O)CC2 1772706097 XQVMOCFTTSZJPN-OZXSUGGESA-N 523.630 2.847 0 50 KFAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(-c3ccccc3)no2)CCNC(=O)COc2cccc(c2)C1 1775979720 YHPSURZOMVCKIX-JGCGQSQUSA-N 606.676 2.627 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)Cn1cccn1)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857703428 LTJOYINXSMKPPD-UCGGBYDDSA-N 753.857 2.984 0 50 KFAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)ccc21 8603581 QGVBMDJWAWTHMU-QGZVFWFLSA-N 519.023 2.534 0 50 KFAA CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12 96941868 PKWRMUKBEYJEIX-DXXQBUJASA-N 806.956 2.608 0 50 KFAA investigational COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccccc3-c3ncc[nH]3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704327438 SUVAZTLXOWAVQQ-RVQNBHMFSA-N 687.842 2.933 0 50 KFAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(Cc3occc3C(=O)O)nn2)c1 1875325486 ZCOYQFSXUIJJFG-UHFFFAOYSA-N 541.561 2.550 0 50 KFAA COC(=O)N1CCC[C@H](c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875387197 TXASJLZOVKVNOB-QFIPXVFZSA-N 552.657 2.900 0 50 KFAA CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 8671025 PYIOVQGIPYAQEH-UHFFFAOYSA-N 503.621 2.987 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1 215933046 ABCCPEXHAJFNOT-GVAUOCQISA-N 544.693 2.568 0 50 KFAA COc1ccc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccc(OC)c3OCCCn3cc(nn3)CC2)cc1OC 952868204 DYSLPOGWUXPRSX-LJAQVGFWSA-N 670.767 2.858 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 100598860 ISMMOHIBASRDLH-ITIZVALFSA-N 552.605 2.749 0 50 KFAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)CCc2ccnn2C)CCNC(=O)COc2ccc(cc2OC)C1 1775982599 LZYIDVVGUMMUIW-MGBGTMOVSA-N 627.783 2.823 0 50 KFAA O=C1CCCN(C(=O)c2ccccc2S(=O)(=O)Cc2ccccc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740124 IYVJNXYZBVPMON-YTTGMZPUSA-N 696.830 2.977 0 50 KFAA Cc1c(NC(=O)[C@@H](C)SCc2nc(-c3ccc(-n4[nH]cnc4=N)cc3)no2)c(=O)n(-c2ccccc2)n1C 1875351560 ALIAXFBYKMAWHX-MRXNPFEDSA-N 531.602 2.788 0 50 KFAA CC(=O)N1CC(=O)N[C@H](CC(C)C)c2nc(co2)C(=O)N[C@@H](C)c2nc(c(C)o2)C(=O)N[C@@H](c2ccccc2)C1 2356136818 KZYMKWZOICWMKL-ZLGUVYLKSA-N 550.616 2.999 0 50 KFAA COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2)cc1 8682770 SJRUGQQDSSINLA-UHFFFAOYSA-N 545.639 2.550 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1cc(OC)ccc1OC 22108051 MNVIMMQCPCQZTE-RQLGBQGVSA-N 524.595 2.833 0 50 KFAA O=C(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 70670013 JJFICUPIRKNFIU-PMHJDTQVSA-N 574.517 2.881 0 50 KFAA biogenic CC(C)C[C@@H]1NC(=O)CN(C(=O)c2csc(-c3cccs3)n2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O 952864297 NNQVTYKGVUDJKS-PMVMPFDFSA-N 638.816 2.549 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(Cc2cncn2C)CCCCNC(=O)[C@@H](C)NC1=O 1704303944 LRFVUTRQPRCMFR-SDDUWZMOSA-N 629.806 2.709 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cc[nH]c2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316431 PDXOFNFPGQDCAE-SVIHCMKNSA-N 658.800 2.952 0 50 KFAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(Cc2nccn2CC)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704324759 RNXNAJVXNNIKRX-AHGCPZLJSA-N 768.023 2.667 0 50 KFAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)C4Cc5ccccc5C4)C3)CN2C1=O 2100532830 CKDLXLOSJBDVBL-FVXBGBIXSA-N 570.734 2.883 0 50 KFAA COc1ccccc1-c1noc(C)c1C(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 2325825035 ARSYBALSSGPKNV-UHFFFAOYSA-N 535.376 2.730 0 50 KFAA Cn1nccc1C(=O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952856377 HJFFNQGVTWWCQG-LBNVMWSVSA-N 509.570 2.866 0 50 KFAA CCc1nc(C)c(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)s1 1704317301 HFKHCJGNGSFYPC-REWPJTCUSA-N 550.637 2.733 0 50 KFAA Cc1ncc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cn1 1772816785 ASWBBHYBEWXCLO-OFVILXPXSA-N 616.704 2.642 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CNCCCNC(=O)c2csc1n2 1772817310 KETLKBFZXCEBCL-UWJYYQICSA-N 526.688 2.850 0 50 KFAA O=C1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740109 IKWLIPIHAGGYHF-PMERELPUSA-N 664.767 2.611 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(Cc1ncc[nH]1)CCNC2=O 1875242567 UPQOSDMRSPFCEV-HHHXNRCGSA-N 572.670 2.815 0 50 KFAA COc1ccc(CNC(=O)[C@@H]2C[C@H](CN3CCN(C)CC3)CN(Cc3ccc(OC)c(OC)c3)C2)cc1 23353794 XRYJCJLJGMVGDH-JWQCQUIFSA-N 510.679 2.714 0 50 KFAA CCCCC/C=C\C/C=C\C=C\C=C\[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@H](O)CCCC(=O)O 27076779 GWNVDXQDILPJIG-FDTUJTAMSA-N 625.785 2.777 0 50 KFAA in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCn3c(=O)c(=O)[nH]c4ccccc43)c(=O)cc1[C@H](NC(C)=O)CC2 206241128 GTCWRFBLEZVQHG-XMMPIXPASA-N 657.724 2.875 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cccc(Cn4cccn4)c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952862994 PZEYVOQYJLRNAN-CDBYGCFJSA-N 777.923 2.782 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccoc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316520 SURZTZLJTZXXMW-QHWQCBGESA-N 783.927 2.857 0 50 KFAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cn2cccn2)CCCNC(=O)c2csc1n2 1772817181 IJJPMRFKTCJJGB-LVXARBLLSA-N 634.788 2.986 0 50 KFAA O=C1COc2cc(cc(C(=O)N3CCOCC3)c2)C(=O)N[C@H]2CN(C(=O)c3cc(-c4ccccc4)on3)C[C@@H]2Oc2ccc(cc2)CN1 1857706575 LPLXLAYDDSBBEP-SMCANUKXSA-N 651.676 2.525 0 50 KFAA CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1 8828709 YVOGUFZWAXZRBU-UHFFFAOYSA-N 502.033 2.939 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 150653316 QEGVMYVOHMNRJM-VVFBEHOQSA-N 672.735 2.786 0 50 KFAA biogenic COc1ccc2cc1OCCCN(C(=O)c1cnccn1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775976957 FFYZYDRMGRVRDU-HSZRJFAPSA-N 584.633 2.717 0 50 KFAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1c(-c3ccccc3)noc1C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741538 XLCAQTLTNKLAOD-PWUYWRBVSA-N 740.814 2.670 0 50 KFAA COc1ccc2cc1OCCCN(S(=O)(=O)N(C)C)CCCCN(C(=O)[C@H]1COc3ccccc3O1)CCn1ccnc1-2 2356135236 VDQVSAIMTMTURD-MUUNZHRXSA-N 613.737 2.898 0 50 KFAA COc1ccccc1N1C(=O)[C@@H]2[C@H](C)N[C@]3(C(=O)N(CC(=O)N4CCc5ccccc54)c4ccccc43)[C@H]2C1=O 247960862 OGNKSVOBEJANPK-NUULZMKSSA-N 536.588 2.624 0 50 KFAA CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)[C@@H]4[C@H]3OC(=O)[C@@H](CN4CCOCC4)[C@@H]3CC[C@@]5(C)O)[C@@H]12 253389773 CBJPQVLGEQCRAI-UPDWJEFLSA-N 639.786 2.800 0 50 KFAA biogenic COCCN1CC(=O)N[C@H]2CN(Cc3noc(C4CCCC4)n3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952863698 RZSDFPZXOYIZBM-UIOOFZCWSA-N 576.654 2.903 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)CCN3CCCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1615709074 PFAMRFKUOJUNSZ-IZLXSDGUSA-N 576.694 2.888 0 50 KFAA CNC(=O)c1cc(S(=O)(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cncc(c3)-c3cc(cc(OC)c3OC)C2)cs1 1772713566 KXKAEQORGVXDDZ-HSZRJFAPSA-N 629.761 2.652 0 50 KFAA COc1cc2ccc1Oc1ccc(cc1OC)C(=O)NCCOc1ccc(cc1)OC1(CCN(C(=O)[C@H]3CCC(=O)N3)CC1)C(=O)NC2 1772713747 QMSUXNAJPVKJDK-AREMUKBSSA-N 658.708 2.953 0 50 KFAA Cc1ncc(-c2ccc(C)c(S(=O)(=O)N3[C@H]4CC[C@@H]3CNC(=O)c3cc(F)ccc3OCCNC(=O)C4)c2)o1 1857708467 VSJWNAKHGPHLAN-LEWJYISDSA-N 556.616 2.948 0 50 KFAA CC1CCN(CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCCCC4)cc32)CC1 8860364 YPRKFQXXLSUQMC-UHFFFAOYSA-N 508.710 2.538 0 50 KFAA Cc1nc(C)c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)s1 952862312 IFSXFEUZWWJDAH-XDFJSJKPSA-N 700.866 2.656 0 50 KFAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCN2CCCC2=O)CCNC(=O)c2csc1n2 1772714087 ACKKJWYBAZXLTD-GOTSBHOMSA-N 649.774 2.633 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(C)nc3onc(C)c23)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1800430521 PZDNGOOUJVWECX-VKGTZQKMSA-N 646.749 2.988 0 50 KFAA CCCOc1c(CN2C[C@H]3CNC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](C2)O3)cc(Cl)cc1OC 1857699530 RQKFXNMKBWIEIP-JZGWFFLPSA-N 686.250 2.553 0 50 KFAA CS(=O)(=O)c1ccc(Sc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c(C(F)(F)F)c1 2325900777 IVFVTTBXEWQZIG-OAHLLOKOSA-N 512.487 2.661 0 50 KFAA CCOc1ncccc1C(=O)N1CC[C@H]2Oc3ccc(c(OC)c3)CNC(=O)COc3cc(ccc3C)C(=O)N[C@H]2C1 2356161879 NOTWYNQNYWUBEE-LOSJGSFVSA-N 574.634 2.898 0 50 KFAA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)OC 22589111 AUNUJAFVNHVXOI-DYVFJYSZSA-N 502.545 2.776 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3ccc(Cn4cnnn4)cc3)C[C@H]2C(=O)N1 1704328028 WDQAFEYJZGBOCW-DZXSGGIZSA-N 653.788 2.590 0 50 KFAA O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CC[C@@H](C2CC2)[C@H]1Cn1cc(-c2ccc(Cl)cn2)nn1 2325843236 ZZHGTNBJALLALI-PGRDOPGGSA-N 541.033 2.855 0 50 KFAA CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(c2cc3c(cc2F)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325899438 DSGNSBMFPBBBND-XTEPFMGCSA-N 782.645 2.853 0 50 KFAA CC(C)C[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 150497847 VPLVCZMHOMKTLU-UIOOFZCWSA-N 652.840 2.893 0 50 KFAA CSCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952862618 BZONQBJAQPPZTB-XZOQPEGZSA-N 571.103 2.609 0 50 KFAA COc1ccc2cc1OCCCCN(S(=O)(=O)c1c(C)noc1C)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704321324 JAVFNGXOMLDJQA-BHIFYINESA-N 532.663 2.805 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)c1nonc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857697152 XTSVKSFMEDQHNL-JLQGKLAWSA-N 713.840 2.783 0 50 KFAA Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)N(C)C[C@H](O)c4ccccc4)CC3)c2C1=O 11909137 DTGCCZMVFYESJL-VWLOTQADSA-N 515.614 2.933 0 50 KFAA COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)cc1 824692107 KKUBTGPFSUWHKW-UHFFFAOYSA-N 501.495 2.732 0 50 KFAA biogenic Cn1ccnc1CN1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)C1 1704322115 HGDPENZPSIVOCF-SANMLTNESA-N 591.116 2.997 0 50 KFAA Cc1n[nH]c(C)c1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775983122 HYESUTSTCHFGSI-CPJSRVTESA-N 618.720 2.884 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cc(C)n(C)n1)CCCNC(=O)[C@H]1CN(C(=O)c3ccc(N(C)C)cc3)C[C@H]21 1875241541 TZAZXPUWZWKXJX-FTJBHMTQSA-N 588.709 2.700 0 50 KFAA COCC[C@@]1(C(=O)NCc2cccc(Cl)c2C)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875242159 LAHVBFXSQOMQKT-PMERELPUSA-N 573.134 2.915 0 50 KFAA CCN1CCC[C@@H](n2cc(C3(F)CN(C(=O)[C@@H](NC(=O)c4ccc(OC)cc4)c4ccccc4)C3)nn2)C1=O 2325869435 NJBXZSJRVJRMEX-VWNXMTODSA-N 534.592 2.648 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC 1187536 UMUBBBRHZUJADS-JUTHHCEFSA-N 510.568 2.530 0 50 KFAA COc1ccc(/C=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1 12416608 MMGMNUOTXKHGRH-CVTKVVPMSA-N 511.607 2.627 0 50 KFAA COc1ccc(CCN2C(=O)N[C@H](CCC(=O)N(C)C[C@H]3CCCN4CCCC[C@@H]34)C2=O)cc1OC 409414858 PVBCZTCFSFRZCF-VSKRKVRLSA-N 500.640 2.670 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2csc(Cc3ccccc3)n2)CCN(C)C(=O)[C@@H](C)NC1=O 1704322963 MKPJWTJVQUNRID-OYPDXITMSA-N 786.981 2.969 0 50 KFAA CC[C@H]1CN(C(=O)c2scc3c2CCCC3)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704325064 CMCFIBJHUUGDCA-PSAFMIEJSA-N 623.820 2.741 0 50 KFAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(Cc2ncc[nH]2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704340244 RAVOEVYMKVOFJS-RSHDXIQLSA-N 645.805 2.707 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CC(C)C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772700341 CYSAKWXILJBDNS-LWPQGVMLSA-N 641.814 2.769 0 50 KFAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)Cc3cn4ccsc4n3)C(=O)N2C1 1857688818 DXMQZJQCDYVFHP-FLXBVFITSA-N 752.250 2.694 0 50 KFAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(S(=O)(=O)c3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c(O)c3)cc1O)C2=O 150491140 HPTWXSUJHIMJOY-UHFFFAOYSA-N 628.527 2.928 0 50 KFAA NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 2325842931 NCJAELRZZDHLAS-DJJJIMSYSA-N 525.414 2.623 0 50 KFAA CC(C)CN1CC[C@H](N2CCN(c3ccccc3F)CC2)[C@H](CCC(=O)NCCN2CCOCC2)C1 207129603 OFVGDHOGKXVEAZ-RSXGOPAZSA-N 503.707 2.523 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCCn3cncn3)C[C@H]1NC(=O)CN(C)C2=O 1615707555 CGTCFSNEYPUYGL-RPBOFIJWSA-N 546.628 2.547 0 50 KFAA Cc1cc(C(=O)N2CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3csc(n3)[C@H](CC(C)C)NC(=O)C2)cc(C)n1 1704318849 SKERHZCMFOLRDA-LGXAAPQCSA-N 771.945 2.758 0 50 KFAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cc3ccccc3o2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704321288 HFTHYDMHIHYKTF-VJFZVHNRSA-N 722.843 2.966 0 50 KFAA CC(C)CC(=O)N1CCCN(Cc2nccn2C)CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)c1ccccc1N1CCOCC1 1704327280 RABCFTDXCBDVBF-WNJJXGMVSA-N 607.800 2.517 0 50 KFAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cnc(N4CCCCC4)nc3)C[C@@H]1NC(=O)CC2 1772714369 NORWGIAFEOTVPQ-FIBWVYCGSA-N 600.720 2.865 0 50 KFAA Cc1c(C(=O)N2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)[nH]c2c1C(=O)CCC2 1857740612 MCVDCTJAMANGGU-MHZLTWQESA-N 652.756 2.640 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 6225770 RECUFJCOIKJSRE-KIHONOKQSA-N 538.578 2.553 0 50 KFAA CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCN2CCOCC2)cc1 19809260 ADXUSIZIQPUCLL-QHCPKHFHSA-N 512.632 2.757 0 50 KFAA CC(=O)O[C@H]1C[C@H](O[C@@H]2[C@@H](O)C[C@H](O[C@@H]3[C@@H](O)C[C@H](O[C@@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O 253505065 HWKJSYYYURVNQU-ZGMZBYQYSA-N 822.986 2.789 0 50 KFAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CCCn3cncn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952863861 JBUKDHVBWQTOMH-SVBPBHIXSA-N 560.655 2.558 0 50 KFAA Cc1cc(C(=O)N2CC[C@H]3OCc4cccc(c4)Oc4cccc(c4)CCC(=O)N(C)CC(=O)N[C@H]3C2)nn1C 952865801 TWJCJOKVMHNRNC-RRPNLBNLSA-N 545.640 2.842 0 50 KFAA Cc1nnc(-c2cc(F)ccc2NC(=O)C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)o1 1875351630 CSXWNYTZMIJFGB-UHFFFAOYSA-N 537.939 2.671 0 50 KFAA CCOC(=O)C1CCN(C(=O)C2CCN(c3cccc4c3C(=O)N(Cc3cn(C)nc3C)C4=O)CC2)CC1 14994277 LTXSOWLSFJTDTH-UHFFFAOYSA-N 521.618 2.543 0 50 KFAA CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3[C@@]1(C)[C@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@H]21 253487072 DIKARTHLYAVYHG-DVZRKMDRSA-N 614.607 2.701 0 50 KFAA CCc1ccc(CN2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)o1 1704319588 XPKFXQSGTQZQJS-OZXSUGGESA-N 505.571 2.921 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)Cn1nc(C)nc1[C@@H](N)C(C)C)CCCCNC2=O 1857706927 BUXXVMTUBLQOLA-JHOUSYSJSA-N 706.845 2.861 0 50 KFAA Cc1cnc2c(S(=O)(=O)N[C@H](C)CC(=O)Nc3nc(Cc4nnc(S)n4C)cs3)cccc2c1 1875351203 OBXVKXARBINSCV-CYBMUJFWSA-N 517.662 2.703 0 50 KFAA Cc1nc(C)c(C(=O)N2CCCCOc3cccc(c3)[C@H]3CN(C(=O)CCCn4cncn4)C[C@@H]3NC(=O)C2)s1 2100533096 ABOFKEZSGYRSBP-RPWUZVMVSA-N 565.700 2.557 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1ccnc3c1nc(C)n3C)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533804 GDTALXLHFCUKBO-HHHXNRCGSA-N 616.723 2.721 0 50 KFAA O=S(=O)(O)CCCOc1cc(Br)c(OCCCS(=O)(=O)O)cc1Br 25758923 DYYIQBUELHEEFV-UHFFFAOYSA-N 512.194 2.525 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3ccccn3)C[C@@H]1OCc1cccc(c1)O2 952866908 GYZVBUUUIVNDCD-VMPREFPWSA-N 603.676 2.671 0 50 KFAA Cc1ccccc1CCC1CCN(C(=O)CNc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 1875351642 DDOKGJDGQWIBPD-HSZRJFAPSA-N 516.598 2.680 0 50 KFAA NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1 111282222 FCCUWKPTCIBKQH-ZEQRLZLVSA-N 613.623 2.519 0 50 KFAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(C(=O)NCc4cnn(C)c4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714501 UARXIRSNCUASEE-CONSDPRKSA-N 688.745 2.759 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)COc1ccc(F)cc1)CCCCNC2=O 1857706716 OJFMCJBSGZFFBZ-YQQMXWFASA-N 765.836 2.689 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)c1cnn(-c3ccccn3)c1C)CCNC2=O 1875242606 VVUNHMRCHLYAHS-JOCHJYFZSA-N 649.712 2.985 0 50 KFAA COCCCC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1cccc(N)n1)[C@@H]1CCN(C(=O)C2CCCC2)C1 2325839594 YTGKTKZEOUDMIR-IRLDBZIGSA-N 501.672 2.997 0 50 KFAA Cn1cc(C(=O)N2CCC(C[C@H]3CC(=O)NC3=O)CC2)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 2325878511 RYQDHWIODWVSLV-VXKWHMMOSA-N 521.618 2.841 0 50 KFAA COc1ccc(/C=c2\sc3n(c2=O)N[C@@]2(c4ccccc4)N(C)C(=O)N(C)[C@@]2(c2ccccc2)N=3)cc1 1065550 MMGMNUOTXKHGRH-KVXMRIRUSA-N 511.607 2.627 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 1089809 TZBMUWGBAFFZHK-MFUBYVTQSA-N 524.595 2.833 0 50 KFAA CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 1772493091 BHOWLZWNBIHSFB-QWVLIARHSA-N 503.636 2.963 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(Cc1ccccc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713559 PFSHJIJWZXDCHV-OFSOJUDTSA-N 573.742 2.930 0 50 KFAA COc1ccc(C2(C(=O)N[C@@H]3C[C@H]4C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)CCc5nc(-c6ccccc6C)no5)C(=O)N4C3)CCCC2)cc1 1857705847 YNEGWFHCTXDNBC-QVEYCFQASA-N 785.899 2.718 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1875240290 PRSGQUGUSNTWSA-XTEPFMGCSA-N 690.779 2.626 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)c1cccc(N)n1)CCNC2=O 1875241906 HBJLCSGWIBHFRH-MUUNZHRXSA-N 612.691 2.709 0 50 KFAA COc1ccc(C(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)cc1N1CCOCC1 2100533506 SLLMQJQTLBGMTQ-MUUNZHRXSA-N 632.762 2.967 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)Cn4nc5ccccc5n4)C3)CN1C(=O)CC2 2356136625 CATSLYCIIQAMJP-CKOJHNACSA-N 602.736 2.990 0 50 KFAA O=C(CSc1nnc(SCC(=O)NCC(=O)c2ccccc2)s1)NCC(=O)c1ccccc1 9356890 HNORNNARANZOTK-UHFFFAOYSA-N 500.627 2.721 0 50 KFAA O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 100816195 LZSHROARPRLUKT-SANMLTNESA-N 575.618 2.781 0 50 KFAA CCCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21 100838324 XIZHWNBLBIHWKQ-ZCCPQQFYSA-N 575.643 2.859 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)/C=C/c1ccccc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772703449 XEYXUPMCISCYKH-IKBCFSOVSA-N 613.763 2.969 0 50 KFAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc(N(C)C)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772818110 MGDKGHYHKNWWPI-MVSFAKPFSA-N 630.794 2.636 0 50 KFAA CSCCC(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)c2cc(-c4ccccc4)[nH]n2)CC(=O)NCCCOc2cccc(c2)[C@H]31 1800410113 OHAXZOOSRRVFQS-UUWRZZSWSA-N 684.823 2.658 0 50 KFAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3[nH]nc(N)c3Cl)CC[C@H]1OCc1cccc(c1)O2 952865889 UZZBDUGVIOYGMH-FCHUYYIVSA-N 583.045 2.838 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ccccn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322826 PZODEEPNVZZTFM-SLCUOWJHSA-N 794.954 2.659 0 50 KFAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)CCCn2nnc(-c3ccc(F)cc3)n2)CCCN1 1875241159 PSIIHPBRPRAFPM-JOCHJYFZSA-N 535.624 2.678 0 50 KFAA Cc1ccc2c(c1)N(CC(=O)N1CCCNC(=O)c3cccc(c3)OCCn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)C1)C(=O)CO2 2356134009 SKFBXUZIFGLBBJ-DEOSSOPVSA-N 651.724 2.897 0 50 KFAA CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 8214470 HHJUWIANJFBDHT-KOTLKJBCSA-N 753.941 2.732 0 50 KFAA biogenic,world O=C(NCCSc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 98050446 OXRLJLNPDJKESP-XMMPIXPASA-N 545.708 2.659 0 50 KFAA C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 255200905 BSSXNTZKMOAXRA-MXXYQIINSA-N 575.787 2.596 0 50 KFAA CC[C@H](O)[C@](C)(O)[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H]1C 255990214 NMIWBQUQCOMGHJ-MESRCSLKSA-N 715.922 2.892 0 50 KFAA COc1ccc2[nH]cc(CCNC(=O)[C@@]3(CC4CC4)CNC(=O)CCCNCCNC(=O)COc4cc(ccc4OC)C3)c2c1 1857705674 PWXIZQCCAJHQNN-UUWRZZSWSA-N 619.763 2.868 0 50 KFAA COc1ccc2cc1OCCCN(C(=O)c1onc3ncccc13)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533368 LVSXKTAQAAJJDB-RUZDIDTESA-N 589.653 2.667 0 50 KFAA O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c1 2325874323 IKWFABFEBXIZCA-LEWJYISDSA-N 506.632 2.903 0 50 KFAA CCc1ncc(C(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)cn1 1704323603 WWAUNBUQAPDZLF-SDDUWZMOSA-N 669.827 2.968 0 50 KFAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)c1cc(-n3cccn3)ccc1Cl)CCCC(=O)NCCO2 1857704230 JJUBBZOEWOMNQT-UHFFFAOYSA-N 509.994 2.995 0 50 KFAA O=C1CN(C(=O)c2ccccc2N2CCOCC2)CCNC(=O)Cn2cnc3c2CCN(C(=O)CC2CCCC2)[C@H]3c2cccc(c2)OCCCN1 1857704671 BDXGNHUVEBPMAK-LHEWISCISA-N 711.864 2.931 0 50 KFAA O=C1CC[C@@H](N2C(=O)c3cccc(OCCCCCNC(=O)[C@H]4C[C@@H](NC(=O)c5cc(-c6cccs6)on5)C4)c3C2=O)C(=O)N1 1875382792 RKSFCNOMERQBIT-LVCYWYKZSA-N 633.683 2.678 0 50 KFAA COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1I 13896540 VTYPWPVOYXOONL-UHFFFAOYSA-N 516.357 2.535 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccccc2C(F)(F)F)CCN(C)C(=O)[C@@H](C)NC1=O 1704326455 FFNSSGPFUZPFLC-LEEWXGEHSA-N 757.836 2.940 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)CN2CCOc3ccccc3C2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100534138 VKWVGQRKACAPKG-MUUNZHRXSA-N 602.736 2.703 0 50 KFAA COc1ccccc1CCN(C)CCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325899886 CNGPKFSMOGYDEI-QFIPXVFZSA-N 534.613 2.770 0 50 KFAA COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)N(CCCc3ccccc3)C2)nn1 208300213 LIMSCNCMIMTZIB-RSXGOPAZSA-N 520.609 2.801 0 50 KFAA CC(=O)N[C@@H]1[C@H](Oc2cccc(Nc3nc(-c4ccc(C)cc4)nc4ccccc34)c2)O[C@H](CO)[C@@H](O)[C@H]1O 245264691 DTQGGFOPSZLQAV-XZZSEQHWSA-N 530.581 2.671 0 50 KFAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cn3ccsc3n2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702671 GMMBGQBQWHQYBD-HPKXWHFBSA-N 683.795 2.522 0 50 KFAA COCC[C@@]1(C(=O)NCc2nnc3n2CCC3)CNC(=O)CCCN(C(=O)c2cn(C)c3ccccc23)CCCNC(=O)COc2ccc(cc2)C1 1875240410 CKAUCWPTZWNZKS-LHEWISCISA-N 712.852 2.535 0 50 KFAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4nc(C)cs4)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497390 LODGFUDXZVUDFR-RTUIDXTOSA-N 589.575 2.687 0 50 KFAA CCc1c(C)cc(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)c(=O)n1C 1772707042 PBZSLFUBCCLRRM-ASHYCFGRSA-N 798.982 3.000 0 50 KFAA Cn1nc(C(F)F)cc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713104 CZURLDXWUCZSDI-AHWVRZQESA-N 595.603 2.857 0 50 KFAA CC[C@@H]1NC(=O)CCCN(C(=O)CCOC)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857706143 BJQHQMJDLVNKCS-QHCPKHFHSA-N 586.661 2.916 0 50 KFAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(Cc3cnc(N4CCOCC4)nc3)C[C@@H]1NC(=O)CN(C)C2=O 952862397 PBYRFDZTRICTPR-WUFINQPMSA-N 586.693 2.775 0 50 KFAA Cc1ccc(F)c(C(=O)N[C@H]2Cc3ccc(cc3)OC[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC2=O)c1Cl 1704322330 MBHNEWPPTFAUMR-ZDNBYQOBSA-N 738.257 2.760 0 50 KFAA CN(C[C@@H]1COCCO1)C(=O)[C@H]1CCCN(c2cccc3c2C(=O)N(c2ccc4c(c2)COC4)C3=O)C1 14972338 WARIENQKJPVMLV-PGRDOPGGSA-N 505.571 2.608 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(C)nc4onc(C)c34)C[C@@H]1NC2=O 1704321506 RCRVYOCPCDCIGV-DHLKQENFSA-N 571.590 2.559 0 50 KFAA COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cn(C)nc4C)c(=O)n32)ccc1O 2785526 UARCJQKCBQOQBE-LYRGBEMXSA-N 515.595 2.630 0 50 KFAA COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCC(=O)O)cc2ccccc12 4545851 QFJWKXYGBSQMDX-RLSLOFABSA-N 576.650 2.779 0 50 KFAA in-vitro CCOC(=O)C1=C(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)NC(=O)N[C@H]1c1ccco1 138422407 CQFLGQNWBARCKL-QFIPXVFZSA-N 531.587 2.791 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)C2C(C)(C)C2(C)C)CCNC1=O 952863018 QHBXJIIVJOFETN-JOCHJYFZSA-N 556.683 2.824 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)Cc2cnc3c(C)cccn23)CCCNC(=O)COc2ccc(cc2)C1 1775982777 YHTGALMRAOCNND-UMSFTDKQSA-N 635.762 2.638 0 50 KFAA CCn1nc(C)cc1C(=O)N1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)c1cccc(N(C)C)c1)C[C@@H]32 1875239907 WHZZWTPDLLFGKV-OOOSNSGVSA-N 600.720 2.937 0 50 KFAA Cc1nc2ccc(C(=O)N3CCCNC(=O)CN(C)C(=O)c4nn(C)c5c4C[C@@H](CC5)N(CCC(C)C)C(=O)C3)cc2s1 1875242601 VQUDSJVKZOWKFE-JOCHJYFZSA-N 607.781 2.805 0 50 KFAA O=C1NCCN(C(=O)c2ccc3ccccc3n2)CCCOc2cccc(c2)[C@H]2CN(C(=O)CCCn3cncn3)C[C@H]12 1940195687 YSJHSXCONDXAKZ-SXOMAYOGSA-N 581.677 2.890 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 625767 CXQYWKSHDOTWCM-MFUBYVTQSA-N 520.563 2.649 0 50 KFAA COc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 2840451 XSHGWEFDFVILTE-UHFFFAOYSA-N 501.590 2.795 0 50 KFAA CN1CC(=O)N[C@H]2CN(C(=O)c3csc(N)n3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952857366 MCGKMWANZNUFEG-LADGPHEKSA-N 549.653 2.838 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)CCCN3CCCC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952864201 MORVCQTZFAQLTM-NSOVKSMOSA-N 576.694 2.888 0 50 KFAA CN1CC(=O)N[C@@H]2CN(C(=O)COc3ccc(-n4cnnn4)cc3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616067975 GZJMNRXMHGVWAT-IHLOFXLRSA-N 625.686 2.541 0 50 KFAA COc1ccc(CN2CCOc3cc(ccc3OC)-c3nccn3CCNC(=O)[C@@H](C(C)C)NC(=O)C2)cc1Cn1cccn1 1704313402 POMJPLKHSPIFRL-WJOKGBTCSA-N 615.735 2.964 0 50 KFAA Cc1cc2cccc(C(=O)N3CCN(C)C(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c4csc(n4)[C@H](Cc4ccccc4)NC(=O)C3)c2o1 1704323597 WSQUKWHPNVRPIY-IZJLGPICSA-N 743.887 2.976 0 50 KFAA CC(C)C[C@@H]1NC(=O)CCCN(C(=O)CNC(N)=O)CCCNC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817520 OAEIYFCICAZQTG-VXKWHMMOSA-N 668.846 2.927 0 50 KFAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@@H](NC(=O)CCC(=O)N(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857703534 UOICFIAXDGIABM-KPPZVJPMSA-N 730.911 2.647 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1cnc3ccnn3c1C)CCNC(=O)[C@H]1CN(C(=O)/C=C/c3ccccc3)C[C@H]21 1875241843 WUBNNIMOVHTJTR-JAHIKVIFSA-N 594.672 2.953 0 50 KFAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CC(C)C)CC1=O 2356133903 LCUKFNLYPDAJQI-GDLZYMKVSA-N 512.695 2.994 0 50 KFAA COC(=O)[C@H](C)NC(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 253412641 RPIVDUPGQSUOHK-KKSFZXQISA-N 555.628 2.733 0 50 KFAA biogenic COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1cccc(C)n1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952865756 UWJJYANKGMFZAJ-LJAQVGFWSA-N 597.720 2.975 0 50 KFAA C[C@@H]1NC(=O)CCCN(Cc2cc3c(cc2Cl)OCO3)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704324060 VWUWVRLDQSWIPR-MHECFPHRSA-N 568.074 2.884 0 50 KFAA CCn1nccc1C(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)CN(CC2CC2)C(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1772714485 SQTXBHGNXJEWSX-NGTAJDMZSA-N 743.906 2.647 0 50 KFAA O=C(Nc1ccc(-c2n[nH]c(CCCn3ccccc3=O)n2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1875328561 YPPRETSTXZPQSF-UHFFFAOYSA-N 546.653 2.749 0 50 KFAA C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)ccc2-3)C[C@H](C)O1 11852072 ONYWOCHJPPNYRB-FNCFJJJESA-N 520.673 2.854 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2cccc3c2OCCO3)CCCNC(=O)COc2ccc(cc2)C1 1857702384 LHROYGIXTRYQOQ-XIFFEERXSA-N 625.719 2.524 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)nc(C)nc3O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952862394 OZHGAUQMWXMIKG-NSOVKSMOSA-N 587.677 2.841 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1cncn1C)CCCCNC2=O 1857705338 CRZAPWWKXMRWIW-GDLZYMKVSA-N 620.707 2.653 0 50 KFAA Cc1cccn2c(CC(=O)N[C@H]3C[C@H]4C(=O)N[C@@H](Cc5ccccc5)c5nc(co5)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c5nc(co5)C(=O)N4C3)cnc12 1857708096 VAZSYFMAJYNUKC-FLMYQZAFSA-N 749.829 2.996 0 50 KFAA CSc1ncc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccccc4)c4nc(co4)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c4nc(co4)C(=O)N3C2)cn1 1857709512 BVLNADFAEODHPM-CFCGIFGPSA-N 729.820 2.623 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)c3cnc(-c4ccncc4)nc3)C[C@@H]1NC2=O 2356161300 OTLMMGZZUBEDQP-IZZNHLLZSA-N 594.628 2.648 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCN3CCOCC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 253413169 TZVSAIPYBILTEJ-OUTSHDOLSA-N 596.725 2.748 0 50 KFAA biogenic Cc1ccc(C(OC[C@@H]2O[C@H](n3ncc(N)nc3=O)[C@H](O)[C@H]2O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 254546616 WINPBGKQLPWUPD-WOHWVRMTSA-N 528.609 2.774 0 50 KFAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(F)(F)F)oc3c2)[C@H](O)[C@@H](O)[C@H]1O 1775966745 XDLBSNLAIQNWON-VOUHOVLFSA-N 697.612 2.893 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)C2CCOCC2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857711523 DYGZXYRUCNYUJN-MHZLTWQESA-N 574.682 2.836 0 50 KFAA COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](c1cn(C)c(=O)n(C)c1=O)N(C(=O)c1ccc2c(c1)CC2)c1ccc(N2CCCN(C)C2=O)cc1 2325850711 FUYRCOXYVMKJJQ-ZWXJPIIXSA-N 692.773 2.733 0 50 KFAA COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccccc3)cc2)nc(OC)n1 13081291 DTNLRVDFLJHLOR-UHFFFAOYSA-N 501.590 2.740 0 50 KFAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 25763016 JLPUHKTWXUMQGL-SDHOMARFSA-N 527.687 2.856 0 50 KFAA COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cnc(N4CCOCC4)nc3)CC[C@@H]1OCc1cccc(c1)O2 952865481 YRRILRYJYSBOED-VMPREFPWSA-N 630.702 2.554 0 50 KFAA O=C(NCc1ccc(CN2CCN(C(=O)c3nc4cncnc4[nH]c3=O)CC2)cc1)c1cc2ccccc2n1Cc1ccncc1 2325832727 PLGHAOZDBYFXKW-UHFFFAOYSA-N 613.682 2.999 0 50 KFAA CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 253504421 CONXBBMDYHPWGK-SXIMFRFQSA-N 698.630 2.870 0 50 KFAA biogenic COCCN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O 409413053 ANGYCMDHRHEFRS-XWGVYQGASA-N 500.640 2.635 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)c3cc(C)nc(C)n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952864284 NURAXAWNVKCGNH-FIBWVYCGSA-N 617.703 2.842 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(Cc2cnsc2)CCNC(=O)COc2cc(ccc2OC)C1 1857704472 SVSNOXFQAMXSHD-GDLZYMKVSA-N 572.728 2.951 0 50 KFAA COCCC[C@@]1(C(=O)NCCc2cscn2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705600 NSPYJSJEEOJLNG-HKBQPEDESA-N 604.733 2.746 0 50 KFAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)COCc1ccccc1)CCNC2=O 1857724069 KTNZNVFOINOYEF-HSZRJFAPSA-N 612.687 2.999 0 50 KFAA COc1ccc(CCN2C(=O)[C@]3(Cc4c(nc5ccccn5c4=O)N4CCc5ccccc5[C@H]43)C(=O)N=C2O)cc1OC 230004124 KWGCUAKWNZIRQR-IEWVHIKDSA-N 579.613 2.884 0 50 KFAA COC(=O)c1cnc(O)c([C@@H](CC(N)=O)c2ccc(OCCc3ccc4c(c3)CCO4)c(OC)c2)c1O 253623923 SZRFFPCTAYLMHJ-SFHVURJKSA-N 508.527 2.852 0 50 KFAA biogenic O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C(=O)N[C@H]1Cc1ccccc1 952862009 HXPKXQVMUIZCFP-DEOSSOPVSA-N 553.038 2.783 0 50 KFAA CCOC(=O)c1cc(S(=O)(=O)NCCNc2nccc(C(F)(F)F)n2)c(F)cc1Br 1875326306 FSVSMEVIKQRMGD-UHFFFAOYSA-N 515.283 2.964 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(O)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 1212329 VIQMMUAWAHLOOB-VVOOWDFBSA-N 510.568 2.530 0 50 KFAA CCCN1C(=O)/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 6500506 RPCVZMOMQAZTHQ-QQYUXEJHSA-N 545.617 2.850 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(C(C)C)no3)C[C@@H]1NC2=O 1704318021 MOMAOKPOVSBFLG-OFVILXPXSA-N 534.569 2.517 0 50 KFAA COc1cc2ccc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3cnccn3)CCCNC(=O)CC2)N(C(=O)CCc2nc(-c3ccco3)no2)C1 1704319319 UUIOTJDBCIYWNC-BDYUSTAISA-N 714.780 2.601 0 50 KFAA Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCC3)cc12 1704324438 QJVZKKWEXKVPGP-NTKDMRAZSA-N 552.701 2.783 0 50 KFAA Cc1nc(N2CCOCC2)sc1C(=O)N1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(CCC(C)C)C(=O)CCC1 1857740492 PRRMSZDKQKYQQS-JOCHJYFZSA-N 599.802 2.810 0 50 KFAA COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857795430 ZLAQSJKIEJDEJR-YQRPSLPTSA-N 615.588 2.612 0 50 KFAA CCc1nccn1CCC(=O)N1CCNC(=O)[C@H]2CN(C(=O)CCc3c(C)noc3C)C[C@@H]2c2ccc(OC)c(c2)OCC1 1940196568 SVKSWFXYQZHOJK-FTJBHMTQSA-N 606.724 2.661 0 50 KFAA CS(=O)(=O)c1ccc([C@]2(NC(=O)c3cccc(Cn4cc(-c5ccc(C(=O)O)nc5)nn4)c3)CCOC2)cc1 2325852739 QQEZQIOMLPAJHV-MHZLTWQESA-N 547.593 2.536 0 50 KFAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)CCCn4cncn4)C3)CN1C(=O)CC2 2356138605 PAOGDUUWUDQDFH-DMDYGQEQSA-N 580.730 2.617 0 50 KFAA CCOC(=O)C1=C(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)NC(=O)N[C@@H]1c1ccco1 138422038 CLUHICJZVKADJI-XMMPIXPASA-N 545.614 2.801 0 50 KFAA CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]34C)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O 255269628 TUMCLUKPDAUYFA-BYZJAHJESA-N 827.062 2.720 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)C3CC3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714247 HIHODNOBFPZFRD-NRBPIKBBSA-N 689.854 2.527 0 50 KFAA COCCC(=O)N1CCN(C(=O)c2cc3ncccn3n2)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1857726453 ROWVJUWEIRYGNF-HSZRJFAPSA-N 688.786 2.547 0 50 KFAA CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NCC(=O)N1CCOc2ccccc21 1875347162 JKESVEGVYSJBGS-QGZVFWFLSA-N 506.422 2.842 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ccncc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940195285 STSGWSIINSQDBA-XMMPIXPASA-N 518.618 2.517 0 50 KFAA CP(C)(=O)c1cccc(CNc2ncc(S(=O)(=O)N3CCN([C@@H]4CCCOC4)CC3)cc2F)c1 2325823458 TTYCIIUATJWIPK-LJQANCHMSA-N 510.572 2.566 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccc3ncccc3c2)CCN(C)C(=O)[C@@H](C)NC1=O 1704318652 PAXURWYTQATGBO-CDBUXONGSA-N 726.904 2.829 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)c3cnc(C)c(C)c3)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704322897 LTEDNNKBXPAWBD-AXXKPAGNSA-N 726.875 2.549 0 50 KFAA CC1CCN(CC(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)CC1 1775980755 AFQZIEIMJVBBAS-FIPFOOKPSA-N 635.791 2.962 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N[C@H]3CN(C)S(=O)(=O)c4ccsc43)cc(c1)-n1ccnc1-2 1857724838 PDEWZVCVWUOTRS-FQEVSTJZSA-N 579.660 2.723 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(CC2CCCCC2)CCN(C)C(=O)[C@@H](C)NC1=O 1704319275 UOBTYDSUSJCZJM-NAJBNYMCSA-N 681.904 2.661 0 50 KFAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1875328291 JQFIGPJETXWKOK-UHFFFAOYSA-N 531.578 2.637 0 50 KFAA O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Br)nn1-c1ncccc1Cl 1875334016 UYPUHAKXTMSSHJ-UHFFFAOYSA-N 526.800 2.956 0 50 KFAA O=C1CN(C(=O)Cc2cccnc2)CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4nccnc4c3)C[C@@H]2N1 2100533188 FARDLPXVOVVBKY-UHSQPCAPSA-N 564.646 2.993 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCc2nc(-c3ccncc3)no2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533592 WBWURJIDVRMNGH-AREMUKBSSA-N 614.707 2.886 0 50 KFAA O=C(O)Cn1cc([C@H](C(=O)O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 263584841 BNDXYQPZYYJTGI-XDEPDNQISA-N 500.349 2.895 0 50 KFAA biogenic COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 263585289 HAWQOGXSHZKVGM-UNMCSNQZSA-N 555.628 2.890 0 50 KFAA biogenic Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)[C@H]1COCCN1C)CCCC(=O)N[C@H]2Cc1ccccc1 1772817771 RIKSSTUREJUMBS-RELGLDOUSA-N 665.817 2.649 0 50 KFAA COC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2C[C@@H]2CCCO2)sc(C(N)=O)c1C 20295052 XZMRCVZKMVTPOG-LBPRGKRZSA-N 505.578 2.703 0 50 KFAA CCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857496 VUTGMPKDQYACTC-SVBPBHIXSA-N 535.641 2.912 0 50 KFAA COc1cccc2c1OCc1cn(nn1)CCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H](C1)NC2=O 1704323835 GYUNOZJESNMGKY-KRWDZBQOSA-N 511.966 2.946 0 50 KFAA O=C1CN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857741239 KCCVLOZTMAJJRR-YTTGMZPUSA-N 661.767 2.906 0 50 KFAA CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801062 MJRFCSQUAHKKFK-LUSCGSNMSA-N 626.567 2.693 0 50 KFAA O=C1NCCCN(C(=O)Cc2c[nH]c3ccccc23)CCOc2cccc(c2)[C@H]2CN(C(=O)CCCn3cncn3)C[C@H]12 1875240738 YNIIRKOZBVOTCV-IZLXSDGUSA-N 583.693 2.752 0 50 KFAA CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(C)=O 8577171 LMADZBIAOYLZDD-GOTSBHOMSA-N 571.608 2.764 0 50 KFAA in-vitro CC[C@@H](C(=O)N1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H](c2ccccc2)C1)c1ccccc1 1704316387 OFHPCQXSLNTDIM-XFYKDFKMSA-N 692.817 2.555 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cccnc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704328954 QELSNYZAKRZZDV-SLCUOWJHSA-N 794.954 2.659 0 50 KFAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)C2 1772714587 YGHNMQISLPMZKT-AREMUKBSSA-N 612.691 2.873 0 50 KFAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2nc3c(s2)CCCC3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857697219 KVNWGBDEWXHQSR-PPJWLVRDSA-N 677.876 2.515 0 50 KFAA CC(C)NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c1)CC2 2325875707 ZZLDHTGRSJARNF-BVZFJXPGSA-N 501.587 2.956 0 50 KFAA COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(C)(=O)=O)c1 16215290 JJDXXWRQHKNORF-UHFFFAOYSA-N 525.649 2.673 0 50 KFAA CC(C)NC(=O)CN1CCN(Cc2cc3ccc(Cl)cc3n(CCS(=O)(=O)c3ccccc3)c2=O)CC1 101910154 XWSHDRKRWJJBRW-UHFFFAOYSA-N 545.105 2.771 0 50 KFAA COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1=O 409414349 KQEPLDPLAWGQQF-KSEOMHKRSA-N 546.665 2.657 0 50 KFAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCc3ncn(C)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 888088257 BGBLWVSHMIHENT-IDISGSTGSA-N 578.670 2.744 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cc(OC)c4c(c3)OCO4)C[C@@H]1NC(=O)CC2 1772817346 NEMKTEPJFNXWJC-OUTSHDOLSA-N 589.645 2.822 0 50 KFAA CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC)=C(C)N=3)ccc1OC(C)=O 631570 DFBYMTKLXUTLPY-MGSPXPDISA-N 522.579 2.741 0 50 KFAA O=C(c1cnccn1)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952858857 HGHVFAQTFXGUPX-LSYYVWMOSA-N 507.554 2.923 0 50 KFAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2cn(C)nc2-c2ccccc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704319615 YJCMWALKMPHPDX-NBMIEWQZSA-N 755.946 2.682 0 50 KFAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cnc(-c4ccccn4)nc3)C[C@@H]1NC2=O 1704321966 FRMHQWYYLXWFLB-LSYYVWMOSA-N 566.618 2.618 0 50 KFAA O=C(Cc1csc(NC(=O)c2ccc(Br)o2)n1)NS(=O)(=O)c1cccc(-c2nnco2)c1 1875350471 OKDUZMOVUHJMNJ-UHFFFAOYSA-N 538.361 2.849 0 50 KFAA O=C1CC[C@H](N2Cc3cc(NC(=O)N[C@]4(c5ccc(OC(F)F)cc5)CCCOC4)ccc3C2=O)C(=O)N1 2325901513 JDFOBUBIAXKPEB-RXFWQSSRSA-N 528.512 2.876 0 50 KFAA COc1cc2ccc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(CC(C)C)CCCNC2=O 2356137157 HNLLYUZAPHXBNH-DEOSSOPVSA-N 500.644 2.579 0 50 KFAA CCc1cc2c3c(c1)C(CN1CCN(C(=O)[C@@H]4COc5ccccc5O4)CC1)=CC(C)(C)N3C(=O)C2=O 334160751 LQKCBIUQDLPWOR-DEOSSOPVSA-N 501.583 2.938 0 50 KFAA COCCN1CC(=O)N[C@H]2CN(C(=O)Cc3c(C)noc3C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952862860 MMGYCXZSVKQIAD-FIBWVYCGSA-N 620.703 2.968 0 50 KFAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(CC=C(C)C)CCCNC(=O)COc2ccc(cc2)C1 1857706703 NYXTXNQLHQQNHB-LJAQVGFWSA-N 531.694 2.878 0 50 KFAA COC(=O)c1ccc(C(=O)N2CCCNC(=O)c3nn(C)c4c3C[C@@H](CC4)N(CCC(C)C)C(=O)CCC2)cc1 1857726525 VTBVDCYYPINDDH-HSZRJFAPSA-N 551.688 2.995 0 50 KFAA O=C1c2ccccc2C(=O)N1C[C@@H]1OCCOCCOCCO[C@@H](CN2C(=O)c3ccccc3C2=O)[C@@H](CN2C(=O)c3ccccc3C2=O)OCCOCCOCCO[C@H]1CN1C(=O)c2ccccc2C1=O 150649715 NPLASEGDXFYLME-LNYMGSRYSA-N 989.000 2.792 0 50 KFAA CCOC(=O)Cc1csc(NC(=O)CNc2ccc3c(cc2=O)[C@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)n1 252537797 MJHNTJSVTSWECS-OAQYLSRUSA-N 610.689 3.476 0 50 KFAA CCOC(=O)C1=C(C)[C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)OC)cc4)C(=O)[C@@H]3[C@@]1(C)[C@@H]1C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)[C@H]21 253487071 DIKARTHLYAVYHG-DSBQOISNSA-N 614.607 2.701 0 50 KFAA CCn1nc(C)cc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772701694 NUAACRATLOTEJR-XCZPVHLTSA-N 573.650 2.711 0 50 KFAA COc1ccc(-c2cc(=NC(=O)c3ccc(Br)c(S(=O)(=O)N4CCOCC4)c3)[nH][nH]2)cc1 1875333832 NCNVHDHNEBSSNC-UHFFFAOYSA-N 521.393 2.543 0 50 KFAA COc1cccc(CO[C@@H]2CN(CCc3ccccc3)C(=O)CN(C(=O)C3CCN(C(C)=O)CC3)C2)c1 14536288 NGUFDGLQWCYGQC-HHHXNRCGSA-N 507.631 2.752 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc4cc(F)ccc4[nH]3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322338 MEFSACYOBSHGOJ-JOPQPDRSSA-N 664.779 2.675 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)c2cnc(C)cn2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704324799 UXWNNRUVCSLQGR-SXVMXVNTSA-N 685.826 2.723 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cn3c(C)cccc3n2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772705690 YXQPHSQCEWJKTQ-JJLUAYLQSA-N 715.856 2.993 0 50 KFAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)c1c[nH]c(=N)nc1C)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857703333 ZSSSOLLRNKALBB-IEWVHIKDSA-N 780.883 2.912 0 50 KFAA Cc1noc(C)c1S(=O)(=O)N1CC(=O)N[C@@H](C(C)C)c2nc(cs2)C(=O)N[C@H](C(C)C)c2nc(c(C)o2)C(=O)N[C@H](C)C1 2356136538 YRSNEKYMRABAKS-IFZYUDKTSA-N 635.769 2.808 0 50 KFAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3ccc(N(C)C)nc3)C[C@@H]1OCc1cccc(c1)O2 952867833 SZNABWFNGALKFQ-VMPREFPWSA-N 632.718 2.808 0 50 KFAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccccn2)CCNC(=O)COc2cc(ccc2OC)C1 1775978313 RESXUJGHZVFPTM-WJOKGBTCSA-N 580.682 2.530 0 50 KFAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H]2CC[C@@H](O)CC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1800413867 JRHDJQDXIWSFFE-MSZDEVHKSA-N 622.748 2.781 0 50 KFAA CCn1ccc(C(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)cc1=O 1800430294 HACQPYYSPHKHND-CUNXSJBXSA-N 645.742 2.726 0 50 KFAA COc1ccc2cc1OCCN(C(=O)c1ccc3c(c1)CCO3)CCCNC(=O)[C@H]1CN(C(=O)C3CCOCC3)C[C@H]21 1875241605 CEPRFECWNVUMPY-FTJBHMTQSA-N 577.678 2.640 0 50 KFAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(S(=O)(=O)c3ccccc3F)CC[C@H]1O2 2356162081 WRRFTIOKBSUGOC-BJKOFHAPSA-N 583.638 2.792 0 50 KFAA COC(=O)[C@@H](NC(=O)CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C 263586042 PDHDIEMOUSDWRH-FNZWTVRRSA-N 555.628 2.589 0 50 KFAA biogenic CCOc1ncccc1C(=O)N1CCCNC(=O)[C@H](CCSC)NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)C1 1704316099 JZRRDSCJGLYUOJ-SANMLTNESA-N 609.753 2.863 0 50 KFAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cc[nH]c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318004 MQMHFYKKKKFDIN-QHWQCBGESA-N 782.943 2.592 0 50 KFAA CCOC(=O)N1CCC(NC(=O)[C@@]2(CCCOC)CNC(=O)c3c4ccccc4nn3CCNC(=O)COc3cccc(c3)C2)CC1 1857705327 CJWKSPAWYVTMKU-UUWRZZSWSA-N 648.761 2.668 0 50 KFAA C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1875255092 KMZMZBSQWNWIIK-PMACEKPBSA-N 556.685 2.993 0 50 KFAA Cc1c(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(CN)cc3O)cc2)c(=O)n(-c2ccccc2)n1C 2325861602 VARSCXHYYCTKCS-UHFFFAOYSA-N 507.572 2.702 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 22108045 MNVIMMQCPCQZTE-FJWZAKCXSA-N 524.595 2.833 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100839449 ISAIXZGAFRRNHE-MGSPXPDISA-N 552.605 2.749 0 50 KFAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(C)C(=O)CCC1 1857724503 YUAKJWLEDZQNBL-HXUWFJFHSA-N 518.618 2.755 0 50 KFAA CC(C)c1ncc([C@H](C(=O)NCCOCc2ccccc2)N(CCOC2CCC2)C(=O)c2cncc(N)n2)[nH]1 2325839459 UQXKBGVUROPXHH-RUZDIDTESA-N 535.649 2.991 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 100839446 IXAHKWYURUTROV-YXDQGSNCSA-N 550.589 2.658 0 50 KFAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)c3ccc[nH]3)C[C@@H]2N1 952865978 ZMYCJVMIHPBRAE-NSOVKSMOSA-N 560.651 2.880 0 50 KFAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc(OC)cc3F)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952868301 JBQPRXYOUADPDU-IIRNBEKSSA-N 745.849 2.685 0 50 KFAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)[C@@H]1CCCNC1)CCCNC2=O 1704316564 VBOZMIRUNZGSJF-HXUWFJFHSA-N 526.609 2.985 0 50 KFAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)c3ccc(-n4cnnn4)cc3)C[C@H]2C(=O)N1 1704321577 ANRKAOUSPJLJPG-OLMRMCJNSA-N 639.761 2.531 0 50 KFAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(Cc2ccncc2)CCCNC1=O 1704321820 GFUJVJASGIWSQL-SANMLTNESA-N 551.717 2.824 0 50 KFAA CC(C)C[C@H]1NC(=O)CN(Cc2ccc(S(C)(=O)=O)cc2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100532919 MBHQYHIAOCVQIW-HHHXNRCGSA-N 581.739 2.885 0 50 KFAA CSc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1 952864972 UFRCICORKFTEPV-VWLOTQADSA-N 546.697 2.713 0 50 KFAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C2CCN(C(=O)N(C)C)CC2)CCCCNC(=O)[C@@H](C)NC1=O 1704317083 DVOBCZBNQUBIEQ-UKOABYEESA-N 717.912 2.696 0 50 KFAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)c3cnn4ccn(C)c34)CC(=O)N1CC2 1704322944 SJWSNBFUCQCBTJ-NDEPHWFRSA-N 559.623 2.716 0 50 KFAA CC[C@@H]1NC(=O)CN(C(=O)Cc2csc(C)n2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775976581 BMPWMMLSAUMZMN-BHDXBOSCSA-N 739.903 2.924 0 50 KFAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1800430296 HNMKFPBTPUZMDY-CUNXSJBXSA-N 659.769 2.860 0 50 KFAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)c3nc(co3)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)c3nc(co3)C(=O)N2C1 1857707962 BZQMCNGWEOXOHV-NKPXBTBWSA-N 741.850 2.781 0 50 KFAA CC(=O)N1CCC(C(=O)N2C[C@H]3c4cccc5c4OC[C@@]3(CNC(=O)CN(C(=O)Cc3ccc(Cl)cc3)CCCO5)C2)CC1 1875240745 YVTNEQLMXZQQJI-VCTRWQRLSA-N 623.150 2.873 0 50 KFAA COCC(=O)N1CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2CN(C(=O)c2ccc(OC)nc2)CC1 1875240941 JZBYWRYNLGIFKN-JOCHJYFZSA-N 664.760 2.518 0 50 KFAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccccc1)CCCNC2=O 2356138041 FZMADXTTXCZYRM-SANMLTNESA-N 548.644 2.763 0 50 KFAA CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 653510 XVQQQOSLQDTLEZ-YMSBRDKKSA-N 524.595 2.833 0 50 KFAA O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 16319369 QYCOZHLHKQJXBL-UHFFFAOYSA-N 523.611 2.617 0 50 KFAA COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)c(OC)c1 59620836 OWFWOPWUEGJVFY-UHFFFAOYSA-N 548.643 2.756 0 50 KFAA CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253504629 DLOMXAWRMLVFKA-LDXCCIJUSA-N 720.809 2.825 0 50 KFAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)C2(c3ccccc3)CC2)CCNC1=O 952856422 DWYREGWXTDZKOQ-AREMUKBSSA-N 576.673 2.873 0 50 KFAA COCCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3cccc(c3)CCC(=O)N(C)CC(=O)N[C@@H]2C1 1615692710 HBEURRIHBCLPRZ-RPBOFIJWSA-N 509.603 2.522 0 50 KFAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1857702529 MTBBMCXIJFBLJO-NVQXNPDNSA-N 706.826 2.649 0 50 KFAA N[C@H](CNC(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)c1ccc(F)cc1F 1875340526 GUFVMGQOINSKKW-XMMPIXPASA-N 544.562 2.551 0 50 KFAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)Cc2cccnc2)CCCC1=O 2356135124 QIPGUQRYMKXSJP-HKBQPEDESA-N 547.700 2.585 0 50 KFAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(Cc2nccn2C)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704318730 QHAPOVSNOLAENH-ZVUPFLOZSA-N 659.832 2.718 0 50 KFAA Cc1ccc2c(c1)OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c1csc(n1)[C@H](CC(C)C)NC2=O 1704322987 MZLMKLZYVCWWSR-CQIJKBRXSA-N 716.865 2.866 0 50 KFAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCc1ccnn1C)CCCCNC2=O 1857703702 WYEQEGHHDBFNJH-JGCGQSQUSA-N 648.761 2.972 0 50 KFAA